A0A077Z9T7_TRITR Loading...

Cytoplasmic dynein 2 heavy chain 1 AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A077Z9T7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 4,052 aa.

>A0A077Z9T7_TRITR|A0A077Z9T7
MLSDDPRANFLFETASSYFSVPLKSVDLDKASAEALSRFLNENKCSSIAFCWSRLKRKLTCSELVPTFDDNDSTLCIAFYKTKPVALDRENLQEIVSVVSVHPPTVAESLLGAVEKVFAPPILRMGSATQADVAVQHLVNELQTDLTKVLSCSKRWPEDGAEHERLKYDFYSLTNEVTYWSSIKNDANPDRSEFFCATLKSVAEEFESLSSMSFIDASSLMERTQNAFEELWAQQAFEPYPEARMLNLLQVVENQIVSLVHSRLRTLKFWNEKHALVREQLLPALSLCDQWKDACTMLTGSYWKKWVTWKWQGDTYSCPRLQRLSDRLRQLLSLCAGKQILSTLVDQHTVQDMDMLWQFPPEFNPLYCNDDQWKKQAEKIERKFGALTREILLHVKLLATNPESSSLHETLQRFLKYKDLLCIPLVKHEISAERETLLFRVTEQLKLNQECFRRKTGSWAVFPKTGLSDATVLIARTKQEEMQISELLETVAELVDDLPGFSDLREKCAAFKDELKTYRDDTFQRWCQDTMRAMDDSKNPLKLLRKAVDLKRNFQVACYSLVKSCRVMELDHKSGTMRVNYSDELVRLAKDVRQLLSLGYKMPQRIQLCAQNGQKFLKYALIMKQVAHFYNNAEAEVLPCLQAMMLNTAYAFERLISGLKSSHGENSSSISVTWEKSEDLENYLTKLKSAAERTANLSRMFLYYHQQIGQKIDSLKETSLLGQQLIWRETLLQAGEIFDEAERLGASAENMKPWRIHWDMELLKVLEHQYQMGLEKLNETMPSLQAELRLVQTSVKLYPSEEELRAKYAKEMKRFIDIPINFKGFLLTVPSERSIFAKVVEQNSKRIEEAYGKMNDFFKQLEDVLEQYKKEMMYLFFKDLGIIGEPNLEELIASKFREPSDWEAAFREIKIRGKAMEKMPRSIIVCSMVINTEPLKVAAESRLQQAYETLLTTLRLSCLCDYQQANGVLLEAVKSLCERPQSAEEVKTVQSVYLNFAKKKAEIDTMATKLEAKHQLYKNVSGSGIQEMNQTRQLVQQFNSALALHQKTMDAQIELLKKNFSSRIQTHKQAVEKFAVKWYQFKPLCDAAKDLEEDKLMEIANLLSQRRSELDEFLDEAEQLRIEAEDLGLDKPDFSNLEEVKRSLISSEAVWQPYQQFTSTLNELGKEEWLLFRTKLHVFADFLNTWKEKLKNLPVNFVTGRVQASLNKYLALLPHLKFCIGEHFDSDHWVEFCRLLKLPPDVKYDKLVLRNLLLASDNIIDGISNIKKLNSSAQVEVSIREAIAELDTWAATCTFQLNLPSDKKHQTPGVITNWNDVLNQVHDKQALLESIKKSSLNNVQFDKRTFWQESLVDLNERIQCLHEVQRRWVYLEPIFSKGVLPKDWSRFQKVDHNFRAIMSRLEQDSRVMNLRSPDISKIQFSSMREQLLECQKALNYYLEKTYHKEKRCQFPRFYFVGDDDLLAILGQADQPDIIKAHIQKLFPSVSTVHFSPSSKSLTAIVSADGEVVQLRKAVEIIENDWAWLKTLEESIKYTLKNLLQAALSAINKGIPLDPSKYPCQILCLAERIRFCNLCEKALQSKTLRDLHRKLKIQINTYASIQPDSVVLQSKLKALTLDAVHAVVVLDDLIEHESDSTGCWYWQKQLRFYVEAAGDVVIKQLDASFKYGFEYTGQITRLVQTPLTDRCFLTFTQAMKLGFCANPYGPTGTGKTETVKALGSLLGRTVHVFNCDESADVRSMARMFAGLVQCGAWGCFDEFNRLEESVMSVIAMHIKAIQCALQSGSERCKLLDREVPLNSNSAIFITLNPAGKHYGGRQKIPDNLKLLFRPVAMLTADDEIIAENLLLAEGFTHSKVIGAKLVCLFKTFRQVRSFISMFTSFDLFSDTLSKQQHYDWGLRTLKSVTTNAGHFHRTMKLNIAPAQSVEEKEASIVMMALRMNCLSKLTDEDSKTFDALLRQVFINVQPTSIPSDSLSSAIESAFSAIGFFPTDTQKIKVQELYEQLQQRTGVIILGQSGSGKTTLWKILLQALSQMKQTVKAYHFNPNAMTKRQLLGYVNPDTREWCDGLLPFLCRKSASEEVWSFIVCDGEIEPEWIEALNSVFDDNKLLTLTSGERIRIGSNVSFIFECTNLHSASPATVSRMGFVYLSTGTVGVEAQLRRFVQTQAEVTREQLSSWLQNYFESSLAVLFEVMNGTPIERGEHGKIVNGLSLLNDVRMKRDFLLKLCRGLGGNLERKSKEEFTVKLFEMAGERPPDLSCPVNITYDAKNDAYITFDGCIEESFIPDVRAAANVPLAKSVTICEAHETLNVLMYEGHRPFILAGPTGCGKCYPSEPELHLICTTFLKPVLRAPCVAKLVQSVDAIASSFVRAMVSTIFDLENCMNYAFTPTDLICWALGLSRYVNNSGTLEELVSIWLYEGRCIFEDRLVTHEEKERFKSVFREILENEKITVLDGIGGGESMYYVSFSSGSDLKVRSVESDVHLCRIEIDAISSVLEKAISTFKYEMYDLNIVIIDELVKLVVRMDRAIHSSYKNSVVLIGPSGLGRRTAISLLAYVLQLRTISLTIVPGYDYKNYKSSLKQVIQAACTANEPLVFIVEDYQLLSAEFYDPIYSLLKCGEIPGLFKPEEIEPLLNNLREQAFQDSYEGTLYSYFTHRVKRNLRLILVLDVGDSLLIPVSRRYADCFRECTVISFDKWTTSSMVKTAQYVLNVHDGKEIADETISNTKSVSSFPETAQMVYCTVVEQCTVPRKYIAFLNQIKKFQFEKSAAIRDRLSVLKSGISKLNEARSVTEKLKSEADHNSNLLIRKQKEADGMLEEITESITAANNQKSNMEALKRKREDENQLLEEQRNAIEAKLSKIEPLIKQAKEDVQSIRADSLSEIRSLRAPPETIRDILEAVLLFMGIYDCSWASMRTFLSKSAVKEEIINFDAHRINPQSLEKVSELVKRKSSSFEPSNAKRASAAAAPLAAWVVANMKYADILNKIAPLEQKKQKLQKSIKQMERQIDSIRSGLQSADESASQLRAKFHTLTSEASEIKFKLDNEGKTLQAAETLTAKLGSEYDRWTLQLSSIHEELENLPRLALLAAMFLHFMIKQPESTRKRVMKSLQGVISTEGFDFLRFMGTDVNYLNFKREGLPDEETAVENALAVLNGCQVALLLDPSQQSMAWLVKHLEKESKVEAVSQKNANYVTQLELSIRFGKTLILFDVNGIDPVLHAVLRDQFIYQVESGLTSQLLSLTIREMNPDLEKRRSEVLEEYEDMKCRLESTEEAILSQLATLKGGILEDCELLETLNAAKQSSAKLEMAMKESFTLRSKVEAERTAFLPLAKVACSVYFVIAELHNLCEVYNYSLQFFMKLYSSFISKQKNCNANELSITKLRSTFIWNVIDTVGRSVFQREHMIFVFRLVLAIYPEHFRSNEWECFLRISEASGLSLKAQDFPEWTESYSKQGLTMLKTFLPELYNSLDLANKSQWNRFMEAVACEDELPAQLKSSTSLFQQLLIVATLRQDRLLSSMNSFLNKVIGRESWKPHQSQLSHLLPESTCNEPVLIISTFGADPSVEVEELASSTVGPSNYVQLAMGNEECDLAITLIQECATKGKWLCLKNLHLVTGWVPSMEAELNRLKPTDSFRLWLITERNANFQCSFLRNCLKFIYEAPSGLKQNLLQTWSSQEASALKQLPTSNIRAAFALSLLHAICQERRTYIPQGWCKFYEFTYSDFKTGLDIANTWLTNKTEESWQFVREVLENVIYGCRIEDAADATVLRILLAELFNKNLASDVPNALLGKLALPRSNLHEGKQISKLRCPMDATSRKKLSPIETFALKEHSLAVQLACVIHADLTIIHKAIQLNIPYGSDSKRAIFQLFNNETPDSWQALWDGPSQPMSFLKVMASKSLDIYEWLERGVKSNLLAEPVNISMFFRPEAFLSSFRQQTALRQNIGLDMLVFQLAWSNDSPISLPCRFIGLRIEGAVFDGKVLREVNPSSPPVSQVPDAVGTWLPSSFKNIRALPTVSVPLYYDERRKSVLTFVDIPCSEDPKKWLLAKVALFL

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

 

Download 15 Fragment Structures   AlphaSync Parameters   PDBs   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.8Low74.1Confident231 Ų23164.2 Ų64.2100%1.13834%0.336SS*.  0-30.50-77.7-162172.100113.3
2L58.3Low75.2Confident30 Ų3059.3 Ų59.316%0.15731%0.311CS..  trans-86.8-16.8176.2-75.1157.2000115.2D4 D5 A8 A33 L36 L40L2-D4 VanDerWaalsContact C-N 3.26Å; L2-D4 PolarHBondContact O-N 3.05Å; L2-D5 PolarHBondContact O-N 3.28Å; L2-A8 HydrophobicContact CD2-CB 4.14Å; L2-A33 HydrophobicContact CD1-CB 3.93Å; L2-L36 HydrophobicContact CD1-CD2 4.44Å; L2-L36 HydrophobicContact CD2-CD2 4.31Å; L2-L36 HydrophobicContact CD2-CG 4.48Å; L2-L40 HydrophobicContact CD2-CD1 4.16Å
3S59.4Low76Confident60 Ų6065.4 Ų65.442%0.4234%0.336SS..THydrogen-bonded Turntrans-61.2-30.6-173.652.10000114.8S25S3-S25 VanDerWaalsContact CA-OG 3.32Å; S3-S25 WeakPolarHBondContact CA-OG 3.07Å
4D66.7Low76.7Confident144 Ų14463.5 Ų63.577%0.7733%0.329SS*.THydrogen-bonded Turntrans-108.911.6-179.4-59.1-34.6000112.5L2 P6L2-D4 VanDerWaalsContact C-N 3.26Å; L2-D4 PolarHBondContact O-N 3.05Å; D4-P6 VanDerWaalsContact O-CD 3.24Å; D4-P6 WeakPolarHBondContact O-CD 3.49Å
5D77.9Confident77.3Confident26 Ų2659.3 Ų59.314%0.13931%0.307CS..  trans-85.8108.2176.6-167.5-22.3000109.9L2 R7 A8 N9L2-D5 PolarHBondContact O-N 3.28Å; D5-R7 PolarHBondContact O-N 2.92Å; D5-R7 VanDerWaalsContact O-N 3.16Å; D5-R7 WeakPolarHBondContact OD1-CB 3.41Å; D5-R7 WeakPolarHBondContact OD1-CG 3.44Å; D5-R7 IonicContact OD1-CZ 3.2Å; D5-R7 PolarHBondContact OD1-N 3.39Å; D5-R7 IonicContact OD1-NE 3.07Å; D5-R7 PolarHBondContact OD1-NE 3.33Å; D5-R7 IonicContact OD1-NH2 3.57Å; D5-R7 IonicContact OD2-CZ 2.71Å; D5-R7 IonicContact OD2-NE 3.8Å; D5-R7 PolarHBondContact OD2-NE 3.4Å; D5-R7 IonicContact OD2-NH2 3.81Å; D5-R7 PolarHBondContact OD2-NH2 2.69Å; D5-A8 HydrophobicContact CB-CB 4.2Å; D5-A8 WeakPolarHBondContact O-CB 3.46Å; D5-A8 PolarHBondContact O-N 2.78Å; D5-A8 VanDerWaalsContact O-N 3.1Å; D5-N9 PolarHBondContact O-N 3.29Å; D5-N9 VanDerWaalsContact O-N 3.1Å
6P78Confident77.8Confident49 Ų4956.9 Ų56.932%0.31830%0.297SS..Hα-helixtrans-64.5-22.8-176.925.5-32.8000113.2D4 N9 F10 R89D4-P6 VanDerWaalsContact O-CD 3.24Å; D4-P6 WeakPolarHBondContact O-CD 3.49Å; P6-N9 PolarHBondContact O-N 2.71Å; P6-F10 PolarHBondContact O-N 3.5Å; P6-F10 VanDerWaalsContact O-N 3.17Å; P6-R89 HydrophobicContact CG-CG 4.15Å; P6-R89 VanDerWaalsContact CG-CZ 3.41Å
7R84.2Confident78.3Confident43 Ų4359.2 Ų59.216%0.16232%0.319CS..Hα-helixtrans-66.8-42.2175.7-56.1172-67.6170.93.9110.8D5 L40 N41 L87 L92D5-R7 PolarHBondContact O-N 2.92Å; D5-R7 VanDerWaalsContact O-N 3.16Å; D5-R7 WeakPolarHBondContact OD1-CB 3.41Å; D5-R7 WeakPolarHBondContact OD1-CG 3.44Å; D5-R7 IonicContact OD1-CZ 3.2Å; D5-R7 PolarHBondContact OD1-N 3.39Å; D5-R7 IonicContact OD1-NE 3.07Å; D5-R7 PolarHBondContact OD1-NE 3.33Å; D5-R7 IonicContact OD1-NH2 3.57Å; D5-R7 IonicContact OD2-CZ 2.71Å; D5-R7 IonicContact OD2-NE 3.8Å; D5-R7 PolarHBondContact OD2-NE 3.4Å; D5-R7 IonicContact OD2-NH2 3.81Å; D5-R7 PolarHBondContact OD2-NH2 2.69Å; R7-L40 HydrophobicContact CB-CD1 4.38Å; R7-L40 HydrophobicContact CB-CD2 3.79Å; R7-N41 PolarHBondContact NH1-OD1 2.74Å; R7-N41 PolarHBondContact NH2-OD1 3.14Å; R7-L87 WeakPolarHBondContact CD-O 3.4Å; R7-L87 PolarHBondContact NH1-O 2.89Å; R7-L92 HydrophobicContact CB-CD1 4.09Å; R7-L92 HydrophobicContact CG-CD1 4.45Å
8A84.1Confident78.7Confident0 Ų060.4 Ų60.40%032%0.319CS..Hα-helixtrans-66.4-43175.100000110.8L2 D5 F10 L11 F12 L36 L40L2-A8 HydrophobicContact CD2-CB 4.14Å; D5-A8 HydrophobicContact CB-CB 4.2Å; D5-A8 WeakPolarHBondContact O-CB 3.46Å; D5-A8 PolarHBondContact O-N 2.78Å; D5-A8 VanDerWaalsContact O-N 3.1Å; A8-F10 VanDerWaalsContact C-N 3.3Å; A8-F10 PolarHBondContact O-N 2.97Å; A8-L11 PolarHBondContact O-N 3.41Å; A8-L11 VanDerWaalsContact O-N 3.11Å; A8-F12 HydrophobicContact CB-CD2 4.37Å; A8-F12 HydrophobicContact CB-CE2 4.24Å; A8-F12 WeakPolarHBondContact O-CD2 3.38Å; A8-F12 PolarHBondContact O-N 3.22Å; A8-L36 HydrophobicContact CB-CD2 4.17Å; A8-L40 HydrophobicContact CB-CD1 3.89Å
9N83.5Confident78.9Confident60 Ų6057.7 Ų57.732%0.32131%0.305SS..Hα-helixtrans-59-39.2-179.1-69.9-16.5000112.6D5 P6 L11 F12 E13D5-N9 PolarHBondContact O-N 3.29Å; D5-N9 VanDerWaalsContact O-N 3.1Å; P6-N9 PolarHBondContact O-N 2.71Å; N9-L11 PolarHBondContact O-N 2.84Å; N9-F12 PolarHBondContact O-N 3.17Å; N9-E13 WeakPolarHBondContact O-CB 3.46Å; N9-E13 WeakPolarHBondContact O-CG 3.34Å; N9-E13 PolarHBondContact O-N 3.33Å
10F84.2Confident79.1Confident63 Ų6360.3 Ų60.328%0.27633%0.328SS..Hα-helixtrans-59.2-43.7174.5175-96.4000113.3P6 A8 E13 T14 L92P6-F10 PolarHBondContact O-N 3.5Å; P6-F10 VanDerWaalsContact O-N 3.17Å; A8-F10 VanDerWaalsContact C-N 3.3Å; A8-F10 PolarHBondContact O-N 2.97Å; F10-E13 PolarHBondContact O-N 2.92Å; F10-T14 PolarHBondContact O-N 3.45Å; F10-T14 PolarHBondContact O-OG1 2.72Å; F10-L92 HydrophobicContact CB-CD2 3.6Å; F10-L92 HydrophobicContact CD1-CD2 3.32Å; F10-L92 HydrophobicContact CD1-CG 4.18Å; F10-L92 HydrophobicContact CD2-CD2 4.22Å; F10-L92 HydrophobicContact CE1-CD2 4.01Å; F10-L92 HydrophobicContact CG-CD2 3.43Å; F10-L92 VanDerWaalsContact CG-CD2 3.43Å
11L87.6Confident79.2Confident0 Ų059.3 Ų59.30%032%0.324CS..Hα-helixtrans-66.4-41.4177.7-60.6175.4000110.8A8 N9 T14 A15 L36 F39 L40 F50 F79 V96A8-L11 PolarHBondContact O-N 3.41Å; A8-L11 VanDerWaalsContact O-N 3.11Å; N9-L11 PolarHBondContact O-N 2.84Å; L11-T14 PolarHBondContact O-N 3.44Å; L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 3.43Å; L11-L36 HydrophobicContact CD1-CD1 3.74Å; L11-F39 HydrophobicContact CD1-CD1 3.98Å; L11-F39 HydrophobicContact CD1-CE1 3.93Å; L11-L40 HydrophobicContact CD1-CD2 3.95Å; L11-F50 HydrophobicContact CB-CZ 4.04Å; L11-F79 HydrophobicContact CD2-CB 4.23Å; L11-F79 HydrophobicContact CD2-CD1 3.47Å; L11-F79 VanDerWaalsContact CD2-CD1 3.47Å; L11-F79 HydrophobicContact CD2-CD2 4.18Å; L11-F79 HydrophobicContact CD2-CE1 3.78Å; L11-F79 HydrophobicContact CD2-CE2 4.43Å; L11-F79 HydrophobicContact CD2-CG 3.7Å; L11-F79 HydrophobicContact CD2-CZ 4.26Å; L11-V96 HydrophobicContact CD2-CG1 4.2Å
12F87Confident80.5Confident6 Ų653.6 Ų53.63%0.02630%0.304CS..Hα-helixtrans-64.5-41.6175.5-77.9-64.9000113A8 N9 A15 S16 L23 L28 L36 F50 L59A8-F12 HydrophobicContact CB-CD2 4.37Å; A8-F12 HydrophobicContact CB-CE2 4.24Å; A8-F12 WeakPolarHBondContact O-CD2 3.38Å; A8-F12 PolarHBondContact O-N 3.22Å; N9-F12 PolarHBondContact O-N 3.17Å; F12-A15 PolarHBondContact O-N 3.09Å; F12-S16 WeakPolarHBondContact O-CB 3.47Å; F12-S16 PolarHBondContact O-N 3.36Å; F12-S16 PolarHBondContact O-OG 2.98Å; F12-L23 HydrophobicContact CD1-CB 4.02Å; F12-L28 HydrophobicContact CE1-CD1 4.29Å; F12-L28 HydrophobicContact CE1-CD2 4.24Å; F12-L28 HydrophobicContact CE1-CG 4.32Å; F12-L28 HydrophobicContact CE2-CD1 4.17Å; F12-L28 HydrophobicContact CZ-CD1 3.4Å; F12-L28 VanDerWaalsContact CZ-CD1 3.4Å; F12-L28 HydrophobicContact CZ-CD2 4.07Å; F12-L28 HydrophobicContact CZ-CG 3.91Å; F12-L36 HydrophobicContact CE2-CD2 3.49Å; F12-L36 VanDerWaalsContact CE2-CD2 3.49Å; F12-L36 HydrophobicContact CZ-CD2 3.64Å; F12-F50 AromaticContact CD1-CE2 3.84Å; F12-F50 HydrophobicContact CD1-CE2 3.84Å; F12-F50 HydrophobicContact CE1-CD2 4.48Å; F12-F50 AromaticContact CE1-CE2 3.61Å; F12-F50 HydrophobicContact CE1-CE2 3.61Å; F12-F50 HydrophobicContact CE1-CZ 4.39Å; F12-F50 HydrophobicContact CZ-CE2 4.08Å; F12-F50 HydrophobicContact CZ-CZ 4.43Å; F12-L59 HydrophobicContact CD1-CD2 4.31Å; F12-L59 HydrophobicContact CE1-CD2 3.7Å
13E85.6Confident81.5Confident138 Ų13852.8 Ų52.865%0.64530%0.299SS*.Hα-helixtrans-63.6-43.3177.3-77.8178.6178.300111.3N9 F10 S16 S17N9-E13 WeakPolarHBondContact O-CB 3.46Å; N9-E13 WeakPolarHBondContact O-CG 3.34Å; N9-E13 PolarHBondContact O-N 3.33Å; F10-E13 PolarHBondContact O-N 2.92Å; E13-S16 PolarHBondContact O-N 2.92Å; E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 3.39Å
14T85.7Confident82Confident39 Ų3956.8 Ų56.824%0.23931%0.309CS..Hα-helixtrans-63.9-47.1177.8-53.30000111.3F10 L11 S17 Y18 I77 F79 V98F10-T14 PolarHBondContact O-N 3.45Å; F10-T14 PolarHBondContact O-OG1 2.72Å; L11-T14 PolarHBondContact O-N 3.44Å; T14-S17 PolarHBondContact O-N 2.86Å; T14-Y18 PolarHBondContact O-N 3.2Å; T14-I77 HydrophobicContact CG2-CD1 4.33Å; T14-F79 HydrophobicContact CG2-CE1 3.84Å; T14-F79 HydrophobicContact CG2-CZ 4.03Å; T14-V98 HydrophobicContact CG2-CG1 4.49Å
15A85.8Confident81.9Confident0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-65.3-38.1176.200000112L11 F12 S17 Y18 F19 L23 F50 I77L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 3.43Å; F12-A15 PolarHBondContact O-N 3.09Å; A15-S17 VanDerWaalsContact C-N 3.34Å; A15-S17 PolarHBondContact O-N 3.26Å; A15-Y18 PolarHBondContact O-N 2.92Å; A15-F19 HydrophobicContact CB-CD2 4.19Å; A15-F19 HydrophobicContact CB-CE2 3.93Å; A15-F19 WeakPolarHBondContact O-CB 3.35Å; A15-F19 WeakPolarHBondContact O-CD2 3.12Å; A15-F19 WeakPolarHBondContact O-CG 3.44Å; A15-F19 PolarHBondContact O-N 3.44Å; A15-L23 HydrophobicContact CB-CD1 3.92Å; A15-F50 HydrophobicContact CB-CB 4.44Å; A15-F50 HydrophobicContact CB-CD2 3.76Å; A15-F50 HydrophobicContact CB-CE2 4.36Å; A15-F50 HydrophobicContact CB-CG 4.33Å; A15-I77 HydrophobicContact CB-CG2 4.06Å
16S85.5Confident81.1Confident21 Ų2155.6 Ų55.615%0.14731%0.309CS..Hα-helixtrans-63.6-41.8178.1-64.60000111.7F12 E13 S20 V21 L23F12-S16 WeakPolarHBondContact O-CB 3.47Å; F12-S16 PolarHBondContact O-N 3.36Å; F12-S16 PolarHBondContact O-OG 2.98Å; E13-S16 PolarHBondContact O-N 2.92Å; S16-S20 VanDerWaalsContact O-CA 3.29Å; S16-S20 WeakPolarHBondContact O-CA 3.45Å; S16-S20 PolarHBondContact O-N 3.16Å; S16-V21 WeakPolarHBondContact CA-O 3.22Å; S16-V21 WeakPolarHBondContact CB-O 3.11Å; S16-V21 PolarHBondContact O-N 3.18Å; S16-V21 VanDerWaalsContact O-N 3.1Å; S16-V21 PolarHBondContact OG-O 2.7Å; S16-L23 WeakPolarHBondContact OG-CB 2.93Å; S16-L23 PolarHBondContact OG-N 2.7Å
17S85.7Confident80.5Confident96 Ų9657.6 Ų57.667%0.67132%0.317SS*.Hα-helixtrans-63.2-48.7174.9-172.30000110.9E13 T14 A15 F19 S20E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 3.39Å; T14-S17 PolarHBondContact O-N 2.86Å; A15-S17 VanDerWaalsContact C-N 3.34Å; A15-S17 PolarHBondContact O-N 3.26Å; S17-F19 PolarHBondContact O-N 3.46Å; S17-S20 PolarHBondContact O-N 3.29Å
18Y85.1Confident80Confident81 Ų8156.6 Ų56.632%0.31832%0.315SS..Hα-helixtrans-64.2-43.8-179.1-176.8-102.5000113.1T14 A15 S20 I77 S100T14-Y18 PolarHBondContact O-N 3.2Å; A15-Y18 PolarHBondContact O-N 2.92Å; Y18-S20 VanDerWaalsContact C-N 3.29Å; Y18-S20 PolarHBondContact O-N 3.38Å; Y18-I77 HydrophobicContact CD1-CB 3.91Å; Y18-I77 HydrophobicContact CD1-CD1 4.12Å; Y18-I77 HydrophobicContact CD1-CG1 4.42Å; Y18-I77 HydrophobicContact CD1-CG2 4.49Å; Y18-I77 HydrophobicContact CD2-CD1 4.32Å; Y18-I77 HydrophobicContact CE1-CB 4.28Å; Y18-I77 HydrophobicContact CG-CB 4.46Å; Y18-I77 HydrophobicContact CG-CD1 3.81Å; Y18-S100 WeakPolarHBondContact OH-CB 3.24Å
19F83.8Confident79.8Confident10 Ų1059.1 Ų59.14%0.04433%0.328CS..Hα-helixtrans-80.6-9.8178.1-57.6-41.9000113.7A15 S17 V21 L23 F50 W52 L59 L75 I77A15-F19 HydrophobicContact CB-CD2 4.19Å; A15-F19 HydrophobicContact CB-CE2 3.93Å; A15-F19 WeakPolarHBondContact O-CB 3.35Å; A15-F19 WeakPolarHBondContact O-CD2 3.12Å; A15-F19 WeakPolarHBondContact O-CG 3.44Å; A15-F19 PolarHBondContact O-N 3.44Å; S17-F19 PolarHBondContact O-N 3.46Å; F19-V21 HydrophobicContact CB-CB 4.49Å; F19-V21 PolarHBondContact O-N 3.32Å; F19-L23 HydrophobicContact CD2-CD1 3.67Å; F19-L23 HydrophobicContact CE2-CD1 4.13Å; F19-F50 HydrophobicContact CE2-CB 4.1Å; F19-F50 HydrophobicContact CZ-CB 4.26Å; F19-F50 WeakPolarHBondContact CZ-O 3.31Å; F19-W52 HydrophobicContact CB-CB 4.41Å; F19-W52 HydrophobicContact CB-CG 4.41Å; F19-W52 HydrophobicContact CD1-CB 3.96Å; F19-W52 HydrophobicContact CD2-CB 3.76Å; F19-W52 HydrophobicContact CD2-CG 4.45Å; F19-W52 HydrophobicContact CE1-CB 4.12Å; F19-W52 HydrophobicContact CE2-CB 3.91Å; F19-W52 HydrophobicContact CG-CB 3.78Å; F19-W52 HydrophobicContact CG-CG 4.29Å; F19-W52 HydrophobicContact CZ-CB 4.08Å; F19-L59 HydrophobicContact CE2-CD1 4.13Å; F19-L75 HydrophobicContact CD1-CB 3.45Å; F19-L75 VanDerWaalsContact CD1-CB 3.45Å; F19-L75 HydrophobicContact CD1-CD1 4Å; F19-L75 HydrophobicContact CD1-CG 4.4Å; F19-L75 HydrophobicContact CE1-CB 3.47Å; F19-L75 VanDerWaalsContact CE1-CB 3.47Å; F19-L75 WeakPolarHBondContact CE1-O 3.39Å; F19-I77 HydrophobicContact CE1-CB 4.47Å; F19-I77 HydrophobicContact CE1-CG2 4.29Å; F19-I77 HydrophobicContact CE2-CG2 4.04Å; F19-I77 HydrophobicContact CZ-CB 4.19Å; F19-I77 HydrophobicContact CZ-CG2 3.59Å
20S82.3Confident79.6Confident109 Ų10964.9 Ų64.976%0.76235%0.35SS*.THydrogen-bonded Turntrans54.536.5-171.2-57.70000112.9S16 S17 Y18S16-S20 VanDerWaalsContact O-CA 3.29Å; S16-S20 WeakPolarHBondContact O-CA 3.45Å; S16-S20 PolarHBondContact O-N 3.16Å; S17-S20 PolarHBondContact O-N 3.29Å; Y18-S20 VanDerWaalsContact C-N 3.29Å; Y18-S20 PolarHBondContact O-N 3.38Å
21V80.9Confident79.6Confident40 Ų4065.1 Ų65.124%0.24236%0.364CS..SBendtrans-134.6129.8179.7177.30000108.4S16 F19 L23 W52S16-V21 WeakPolarHBondContact CA-O 3.22Å; S16-V21 WeakPolarHBondContact CB-O 3.11Å; S16-V21 PolarHBondContact O-N 3.18Å; S16-V21 VanDerWaalsContact O-N 3.1Å; S16-V21 PolarHBondContact OG-O 2.7Å; F19-V21 HydrophobicContact CB-CB 4.49Å; F19-V21 PolarHBondContact O-N 3.32Å; V21-L23 HydrophobicContact CG1-CD2 4.13Å; V21-L23 PolarHBondContact O-N 3.03Å; V21-W52 HydrophobicContact CB-CZ2 4.47Å; V21-W52 HydrophobicContact CG1-CH2 3.98Å; V21-W52 HydrophobicContact CG1-CZ2 3.87Å; V21-W52 HydrophobicContact CG2-CZ2 4.1Å
22P79.5Confident79.5Confident111 Ų11165.2 Ų65.272%0.72137%0.365SS*.  trans-72.1100.8178.328.8-32.5000110.3
23L78.2Confident79.3Confident12 Ų1266.1 Ų66.16%0.06337%0.373CS..  trans-90.8131.2179.1-59.1173.7000110.4F12 A15 S16 F19 V21 W52 L59F12-L23 HydrophobicContact CD1-CB 4.02Å; A15-L23 HydrophobicContact CB-CD1 3.92Å; S16-L23 WeakPolarHBondContact OG-CB 2.93Å; S16-L23 PolarHBondContact OG-N 2.7Å; F19-L23 HydrophobicContact CD2-CD1 3.67Å; F19-L23 HydrophobicContact CE2-CD1 4.13Å; V21-L23 HydrophobicContact CG1-CD2 4.13Å; V21-L23 PolarHBondContact O-N 3.03Å; L23-W52 HydrophobicContact CD2-CE3 3.82Å; L23-W52 HydrophobicContact CD2-CZ3 3.75Å; L23-L59 HydrophobicContact CB-CD2 4.48Å; L23-L59 HydrophobicContact CD1-CD1 3.95Å; L23-L59 HydrophobicContact CD1-CD2 3.9Å; L23-L59 HydrophobicContact CD1-CG 4.48Å; L23-L59 HydrophobicContact CD2-CB 4.28Å; L23-L59 HydrophobicContact CD2-CD2 4.25Å; L23-L59 HydrophobicContact CG-CD2 4.45Å
24K71.5Confident79.3Confident144 Ų14465 Ų6563%0.62637%0.368SS*.  trans-118.6152.2173-66.3-177.1-179.5-179.80110.6V26 D27K24-V26 PolarHBondContact O-N 2.89Å; K24-D27 PolarHBondContact N-OD2 2.88Å; K24-D27 VanDerWaalsContact N-OD2 3.12Å; K24-D27 WeakPolarHBondContact O-CB 3.39Å; K24-D27 PolarHBondContact O-N 3.29Å
25S63.1Low79.3Confident24 Ų2463.6 Ų63.617%0.16836%0.36CS..G310 helixtrans-60-19.6178.757.10000114.1S3 D27S3-S25 VanDerWaalsContact CA-OG 3.32Å; S3-S25 WeakPolarHBondContact CA-OG 3.07Å; S25-D27 PolarHBondContact O-N 3.27Å
26V63Low79.4Confident121 Ų12163.6 Ų63.673%0.73336%0.36SS*.G310 helixtrans-68.2-19.1175.8-172.70000112.1K24K24-V26 PolarHBondContact O-N 2.89Å
27D65.1Low79.4Confident92 Ų9264.9 Ų64.949%0.49237%0.369SS..G310 helixtrans-87.5-4.3-174.9-55.7-41.5000113.8K24 S25K24-D27 PolarHBondContact N-OD2 2.88Å; K24-D27 VanDerWaalsContact N-OD2 3.12Å; K24-D27 WeakPolarHBondContact O-CB 3.39Å; K24-D27 PolarHBondContact O-N 3.29Å; S25-D27 PolarHBondContact O-N 3.27Å
28L72.3Confident79.4Confident22 Ų2265.2 Ų65.212%0.11536%0.356CS..  trans-80.5135.7-177.8-67.2166000112F12 A33 L36 L59 C61F12-L28 HydrophobicContact CE1-CD1 4.29Å; F12-L28 HydrophobicContact CE1-CD2 4.24Å; F12-L28 HydrophobicContact CE1-CG 4.32Å; F12-L28 HydrophobicContact CE2-CD1 4.17Å; F12-L28 HydrophobicContact CZ-CD1 3.4Å; F12-L28 VanDerWaalsContact CZ-CD1 3.4Å; F12-L28 HydrophobicContact CZ-CD2 4.07Å; F12-L28 HydrophobicContact CZ-CG 3.91Å; L28-A33 HydrophobicContact CB-CB 4.29Å; L28-A33 HydrophobicContact CD1-CB 4.38Å; L28-L36 HydrophobicContact CD1-CD2 3.98Å; L28-L59 HydrophobicContact CD2-CD2 4.01Å; L28-C61 VanDerWaalsContact CD2-SG 3.54Å
29D80.1Confident79.6Confident53 Ų5361.4 Ų61.428%0.28334%0.341SS..  trans-70.7162.416359.722.9000111.6A31 S32 A33 K58D29-A31 PolarHBondContact O-N 3.2Å; D29-S32 PolarHBondContact O-N 3.26Å; D29-S32 VanDerWaalsContact O-N 3.12Å; D29-S32 WeakPolarHBondContact OD1-CB 3.13Å; D29-S32 PolarHBondContact OD1-N 2.76Å; D29-S32 PolarHBondContact OD1-OG 2.96Å; D29-A33 PolarHBondContact O-N 3.07Å; D29-K58 WeakPolarHBondContact OD2-CE 3.47Å; D29-K58 IonicContact OD2-NZ 3.77Å; D29-K58 PolarHBondContact OD2-NZ 2.99Å
30K79.8Confident79.7Confident181 Ų18160.9 Ų60.979%0.78734%0.338SS*.Hα-helixtrans-53.8-40.8-176.3-77.8-172.1176.5-177.80112.7A33 E34K30-A33 PolarHBondContact O-N 3.36Å; K30-E34 WeakPolarHBondContact O-CG 3.29Å; K30-E34 PolarHBondContact O-N 3.44Å
31A83.4Confident79.9Confident67 Ų6759.3 Ų59.355%0.55432%0.321SS*.Hα-helixtrans-64.7-45.2179.500000111.9D29 A33 E34 A35D29-A31 PolarHBondContact O-N 3.2Å; A31-A33 VanDerWaalsContact C-N 3.34Å; A31-A33 PolarHBondContact O-N 3.25Å; A31-E34 PolarHBondContact O-N 3.21Å; A31-A35 PolarHBondContact O-N 3.22Å
32S85.4Confident80.1Confident3 Ų361.7 Ų61.72%0.02133%0.33CS..Hα-helixtrans-65.9-37.9177.3-57.60000112D29 A35 L36 C61D29-S32 PolarHBondContact O-N 3.26Å; D29-S32 VanDerWaalsContact O-N 3.12Å; D29-S32 WeakPolarHBondContact OD1-CB 3.13Å; D29-S32 PolarHBondContact OD1-N 2.76Å; D29-S32 PolarHBondContact OD1-OG 2.96Å; S32-A35 PolarHBondContact O-N 2.88Å; S32-L36 WeakPolarHBondContact O-CB 3.3Å; S32-L36 PolarHBondContact O-N 3.08Å; S32-C61 PolarHBondContact OG-N 3.46Å
33A82.9Confident80.2Confident25 Ų2560.6 Ų60.621%0.20732%0.318CS..Hα-helixtrans-65.5-38.2175.300000112.3L2 L28 D29 K30 A31 S37L2-A33 HydrophobicContact CD1-CB 3.93Å; L28-A33 HydrophobicContact CB-CB 4.29Å; L28-A33 HydrophobicContact CD1-CB 4.38Å; D29-A33 PolarHBondContact O-N 3.07Å; K30-A33 PolarHBondContact O-N 3.36Å; A31-A33 VanDerWaalsContact C-N 3.34Å; A31-A33 PolarHBondContact O-N 3.25Å; A33-S37 WeakPolarHBondContact O-CB 3.4Å; A33-S37 PolarHBondContact O-N 3.49Å
34E85.9Confident80.3Confident115 Ų11569.3 Ų69.354%0.53736%0.355SS..Hα-helixtrans-65.8-47173.6-79177.3-167.500111.8K30 A31 L36 S37 R38K30-E34 WeakPolarHBondContact O-CG 3.29Å; K30-E34 PolarHBondContact O-N 3.44Å; A31-E34 PolarHBondContact O-N 3.21Å; E34-L36 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 2.95Å; E34-S37 WeakPolarHBondContact O-CB 3.43Å; E34-S37 PolarHBondContact O-N 2.8Å; E34-S37 VanDerWaalsContact O-N 3.16Å; E34-R38 WeakPolarHBondContact O-CG 3.34Å; E34-R38 PolarHBondContact O-N 3.14Å
35A86.2Confident80.8Confident9 Ų963 Ų637%0.07433%0.329CS..Hα-helixtrans-58.8-43.6176.900000111.7A31 S32 R38 F39 I48 E63A31-A35 PolarHBondContact O-N 3.22Å; S32-A35 PolarHBondContact O-N 2.88Å; A35-R38 PolarHBondContact O-N 3.27Å; A35-F39 PolarHBondContact O-N 3.46Å; A35-I48 HydrophobicContact CB-CD1 4.44Å; A35-E63 HydrophobicContact CB-CG 4.24Å
36L87.5Confident81.9Confident0 Ų065 Ų650%034%0.343CS..Hα-helixtrans-63.4-43.7174.9-176.563.2000112.2L2 A8 L11 F12 L28 S32 E34 R38 F39 L40 I48 F50L2-L36 HydrophobicContact CD1-CD2 4.44Å; L2-L36 HydrophobicContact CD2-CD2 4.31Å; L2-L36 HydrophobicContact CD2-CG 4.48Å; A8-L36 HydrophobicContact CB-CD2 4.17Å; L11-L36 HydrophobicContact CD1-CD1 3.74Å; F12-L36 HydrophobicContact CE2-CD2 3.49Å; F12-L36 VanDerWaalsContact CE2-CD2 3.49Å; F12-L36 HydrophobicContact CZ-CD2 3.64Å; L28-L36 HydrophobicContact CD1-CD2 3.98Å; S32-L36 WeakPolarHBondContact O-CB 3.3Å; S32-L36 PolarHBondContact O-N 3.08Å; E34-L36 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 2.95Å; L36-R38 VanDerWaalsContact C-N 3.3Å; L36-R38 PolarHBondContact O-N 3Å; L36-F39 PolarHBondContact O-N 2.92Å; L36-L40 HydrophobicContact CD1-CD1 4.33Å; L36-L40 HydrophobicContact CD1-CG 4.37Å; L36-L40 HydrophobicContact CG-CD1 4.17Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.31Å; L36-L40 PolarHBondContact O-N 3.17Å; L36-I48 HydrophobicContact CB-CD1 3.86Å; L36-I48 HydrophobicContact CD1-CD1 3.79Å; L36-I48 HydrophobicContact CG-CD1 4.45Å; L36-F50 HydrophobicContact CD1-CE1 4.2Å; L36-F50 HydrophobicContact CD1-CZ 3.92Å
37S85Confident83.1Confident47 Ų4760.7 Ų60.733%0.32932%0.318SS..Hα-helixtrans-60.7-40.1175.9-177.70000112A33 E34 L40 N41A33-S37 WeakPolarHBondContact O-CB 3.4Å; A33-S37 PolarHBondContact O-N 3.49Å; E34-S37 WeakPolarHBondContact O-CB 3.43Å; E34-S37 PolarHBondContact O-N 2.8Å; E34-S37 VanDerWaalsContact O-N 3.16Å; S37-L40 PolarHBondContact O-N 3.4Å; S37-N41 WeakPolarHBondContact O-CB 3.35Å; S37-N41 PolarHBondContact O-N 3.37Å; S37-N41 PolarHBondContact O-ND2 2.82Å; S37-N41 PolarHBondContact OG-ND2 3.01Å
38R86.9Confident84.4Confident104 Ų10456.3 Ų56.339%0.39230%0.295SS..Hα-helixtrans-66.1-46175.3-71-170.9-178147.84.2112.1E34 A35 L36 L40 N41 E42 C45 E63E34-R38 WeakPolarHBondContact O-CG 3.34Å; E34-R38 PolarHBondContact O-N 3.14Å; A35-R38 PolarHBondContact O-N 3.27Å; L36-R38 VanDerWaalsContact C-N 3.3Å; L36-R38 PolarHBondContact O-N 3Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 3.17Å; R38-N41 PolarHBondContact O-N 3.23Å; R38-E42 HydrophobicContact CB-CG 4.37Å; R38-E42 HydrophobicContact CG-CG 4.44Å; R38-E42 WeakPolarHBondContact CG-OE1 3.38Å; R38-E42 IonicContact NE-OE1 2.84Å; R38-E42 WeakPolarHBondContact O-CA 3.23Å; R38-E42 VanDerWaalsContact O-CB 3.27Å; R38-E42 WeakPolarHBondContact O-CB 3.44Å; R38-E42 PolarHBondContact O-N 3.42Å; R38-C45 HydrophobicContact CB-CB 4.18Å; R38-E63 VanDerWaalsContact CD-OE1 3.32Å; R38-E63 WeakPolarHBondContact CD-OE1 3.36Å; R38-E63 IonicContact CZ-OE1 3.97Å; R38-E63 IonicContact NH1-OE1 2.89Å; R38-E63 PolarHBondContact NH1-OE1 3.38Å
39F88.6Confident85.2Confident0 Ų055.3 Ų55.30%029%0.29CS..Hα-helixtrans-57.9-41.5176.1179.5-103.3000111.7L11 A35 L36 I48 F79 K81 L87 V96L11-F39 HydrophobicContact CD1-CD1 3.98Å; L11-F39 HydrophobicContact CD1-CE1 3.93Å; A35-F39 PolarHBondContact O-N 3.46Å; L36-F39 PolarHBondContact O-N 2.92Å; F39-I48 HydrophobicContact CB-CB 3.93Å; F39-I48 HydrophobicContact CB-CD1 4.07Å; F39-I48 HydrophobicContact CB-CG2 4.03Å; F39-I48 HydrophobicContact CD1-CB 4.28Å; F39-I48 HydrophobicContact CD1-CG2 3.43Å; F39-I48 VanDerWaalsContact CD1-CG2 3.43Å; F39-I48 HydrophobicContact CD2-CB 3.96Å; F39-I48 HydrophobicContact CD2-CG2 3.77Å; F39-I48 HydrophobicContact CE1-CG2 3.73Å; F39-I48 HydrophobicContact CE2-CG2 4.04Å; F39-I48 HydrophobicContact CG-CB 3.79Å; F39-I48 HydrophobicContact CG-CG2 3.45Å; F39-I48 VanDerWaalsContact CG-CG2 3.45Å; F39-I48 HydrophobicContact CZ-CG2 4.02Å; F39-F79 HydrophobicContact CE1-CB 4.35Å; F39-F79 HydrophobicContact CZ-CB 4.09Å; F39-K81 HydrophobicContact CE2-CD 4.39Å; F39-K81 HydrophobicContact CE2-CG 3.72Å; F39-K81 HydrophobicContact CZ-CG 3.93Å; F39-K81 WeakPolarHBondContact O-CE 3.36Å; F39-K81 PolarHBondContact O-NZ 3.18Å; F39-L87 HydrophobicContact CD1-CD1 3.99Å; F39-L87 HydrophobicContact CE1-CD1 3.51Å; F39-L87 HydrophobicContact CZ-CD1 4Å; F39-V96 HydrophobicContact CZ-CG2 4.44Å
40L86.2Confident85.7Confident0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-71.4-43.9179.7-66.8175.9000112.7L2 R7 A8 L11 L36 S37 R38 L87L2-L40 HydrophobicContact CD2-CD1 4.16Å; R7-L40 HydrophobicContact CB-CD1 4.38Å; R7-L40 HydrophobicContact CB-CD2 3.79Å; A8-L40 HydrophobicContact CB-CD1 3.89Å; L11-L40 HydrophobicContact CD1-CD2 3.95Å; L36-L40 HydrophobicContact CD1-CD1 4.33Å; L36-L40 HydrophobicContact CD1-CG 4.37Å; L36-L40 HydrophobicContact CG-CD1 4.17Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.31Å; L36-L40 PolarHBondContact O-N 3.17Å; S37-L40 PolarHBondContact O-N 3.4Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 3.17Å; L40-L87 HydrophobicContact CD2-CD1 4.07Å; L40-L87 PolarHBondContact O-N 3.38Å
41N86.4Confident86Confident75 Ų7544.3 Ų44.340%0.40124%0.24SC..Hα-helixtrans-104.2-23.9-165.9-58.9-51.1000114.6R7 S37 R38R7-N41 PolarHBondContact NH1-OD1 2.74Å; R7-N41 PolarHBondContact NH2-OD1 3.14Å; S37-N41 WeakPolarHBondContact O-CB 3.35Å; S37-N41 PolarHBondContact O-N 3.37Å; S37-N41 PolarHBondContact O-ND2 2.82Å; S37-N41 PolarHBondContact OG-ND2 3.01Å; R38-N41 PolarHBondContact O-N 3.23Å
42E84.4Confident86.1Confident91 Ų9142.6 Ų42.643%0.42522%0.219SC..  trans-96.4133-178.5-61.9-174.2-171.600111.9R38 K44 C45 K81R38-E42 HydrophobicContact CB-CG 4.37Å; R38-E42 HydrophobicContact CG-CG 4.44Å; R38-E42 WeakPolarHBondContact CG-OE1 3.38Å; R38-E42 IonicContact NE-OE1 2.84Å; R38-E42 WeakPolarHBondContact O-CA 3.23Å; R38-E42 VanDerWaalsContact O-CB 3.27Å; R38-E42 WeakPolarHBondContact O-CB 3.44Å; R38-E42 PolarHBondContact O-N 3.42Å; E42-K44 PolarHBondContact O-N 3.35Å; E42-C45 HydrophobicContact CB-CB 4.39Å; E42-K81 PolarHBondContact O-NZ 3.29Å
43N83.2Confident85.9Confident88 Ų8843 Ų4347%0.47122%0.222SC..SBendtrans-64.4-29.8175.7-64.42.3000112.3P84 A86N43-P84 WeakPolarHBondContact CB-O 3.45Å; N43-A86 WeakPolarHBondContact OD1-CB 3.28Å; N43-A86 PolarHBondContact OD1-N 3.37Å
44K78.7Confident85.6Confident195 Ų19549.3 Ų49.385%0.84824%0.241SC*.SBendtrans-79.6-26.7-174.7-68.4-173.5178.4-178.60113.6E42 S46E42-K44 PolarHBondContact O-N 3.35Å; K44-S46 PolarHBondContact O-N 2.95Å; K44-S46 VanDerWaalsContact O-N 3.11Å
45C83.5Confident85Confident10 Ų1050.1 Ų50.17%0.06825%0.248CC..  trans-78.996.7178.4-167.10000109R38 E42 K81R38-C45 HydrophobicContact CB-CB 4.18Å; E42-C45 HydrophobicContact CB-CB 4.39Å; C45-K81 VanDerWaalsContact O-CE 3.24Å; C45-K81 WeakPolarHBondContact O-CE 3.28Å; C45-K81 PolarHBondContact O-NZ 2.93Å
46S85.3Confident84.5Confident68 Ų6857.7 Ų57.748%0.47628%0.279SS..  trans-83.9-22.5-173.454.50000113.8K44 Y80 K81K44-S46 PolarHBondContact O-N 2.95Å; K44-S46 VanDerWaalsContact O-N 3.11Å; S46-Y80 CarbonylContact O-C 3.54Å; S46-Y80 WeakPolarHBondContact O-CA 3.39Å; S46-Y80 WeakPolarHBondContact O-CB 3.43Å; S46-K81 PolarHBondContact O-N 3.36Å
47S89.2Confident84.1Confident29 Ų2967.6 Ų67.620%0.20332%0.317CS..EExtended strand (participates in β ladder)trans-140.8157.1-177.353.10000113.1E63 F79S47-E63 CarbonylContact C-O 3.59Å; S47-E63 VanDerWaalsContact O-O 3.11Å; S47-E63 PolarHBondContact OG-O 3.1Å; S47-F79 CarbonylContact C-O 3.44Å; S47-F79 WeakPolarHBondContact CA-O 3.33Å
48I91.2Very high83.9Confident0 Ų069.7 Ų69.70%032%0.32CS..EExtended strand (participates in β ladder)trans-145.4127.6166.7-170.5163000109.9A35 L36 F39 F50 C61 S62 A78 F79A35-I48 HydrophobicContact CB-CD1 4.44Å; L36-I48 HydrophobicContact CB-CD1 3.86Å; L36-I48 HydrophobicContact CD1-CD1 3.79Å; L36-I48 HydrophobicContact CG-CD1 4.45Å; F39-I48 HydrophobicContact CB-CB 3.93Å; F39-I48 HydrophobicContact CB-CD1 4.07Å; F39-I48 HydrophobicContact CB-CG2 4.03Å; F39-I48 HydrophobicContact CD1-CB 4.28Å; F39-I48 HydrophobicContact CD1-CG2 3.43Å; F39-I48 VanDerWaalsContact CD1-CG2 3.43Å; F39-I48 HydrophobicContact CD2-CB 3.96Å; F39-I48 HydrophobicContact CD2-CG2 3.77Å; F39-I48 HydrophobicContact CE1-CG2 3.73Å; F39-I48 HydrophobicContact CE2-CG2 4.04Å; F39-I48 HydrophobicContact CG-CB 3.79Å; F39-I48 HydrophobicContact CG-CG2 3.45Å; F39-I48 VanDerWaalsContact CG-CG2 3.45Å; F39-I48 HydrophobicContact CZ-CG2 4.02Å; I48-F50 HydrophobicContact CD1-CE1 4.05Å; I48-F50 HydrophobicContact CG1-CD1 4.26Å; I48-F50 HydrophobicContact CG1-CE1 4.01Å; I48-F50 HydrophobicContact CG2-CD1 4.45Å; I48-F50 HydrophobicContact CG2-CE1 3.99Å; I48-C61 HydrophobicContact CD1-CB 4.04Å; I48-C61 HydrophobicContact CG1-CB 4.24Å; I48-S62 CarbonylContact C-O 3.53Å; I48-S62 WeakPolarHBondContact CA-O 3.32Å; I48-A78 WeakPolarHBondContact O-CA 3.45Å; I48-F79 HydrophobicContact CG2-CB 3.94Å; I48-F79 HydrophobicContact CG2-CD2 4.32Å; I48-F79 PolarHBondContact N-O 3.05Å; I48-F79 PolarHBondContact O-N 2.91Å
49A89.1Confident83.7Confident1 Ų164.9 Ų64.91%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-99128.6174.900000109.7C61 S62 V65 A78A49-C61 VanDerWaalsContact O-CA 3.25Å; A49-C61 WeakPolarHBondContact O-CA 3.35Å; A49-S62 PolarHBondContact N-O 3.3Å; A49-S62 PolarHBondContact O-N 2.83Å; A49-V65 HydrophobicContact CB-CG2 4.05Å; A49-A78 HydrophobicContact CB-CB 4.48Å
50F90.4Very high83.5Confident0 Ų067.6 Ų67.60%032%0.318CS..EExtended strand (participates in β ladder)trans-98.9119.6169.7-78.954.9000106.4L11 F12 A15 F19 L36 I48 L59 C76 I77 F79L11-F50 HydrophobicContact CB-CZ 4.04Å; F12-F50 AromaticContact CD1-CE2 3.84Å; F12-F50 HydrophobicContact CD1-CE2 3.84Å; F12-F50 HydrophobicContact CE1-CD2 4.48Å; F12-F50 AromaticContact CE1-CE2 3.61Å; F12-F50 HydrophobicContact CE1-CE2 3.61Å; F12-F50 HydrophobicContact CE1-CZ 4.39Å; F12-F50 HydrophobicContact CZ-CE2 4.08Å; F12-F50 HydrophobicContact CZ-CZ 4.43Å; A15-F50 HydrophobicContact CB-CB 4.44Å; A15-F50 HydrophobicContact CB-CD2 3.76Å; A15-F50 HydrophobicContact CB-CE2 4.36Å; A15-F50 HydrophobicContact CB-CG 4.33Å; F19-F50 HydrophobicContact CE2-CB 4.1Å; F19-F50 HydrophobicContact CZ-CB 4.26Å; F19-F50 WeakPolarHBondContact CZ-O 3.31Å; L36-F50 HydrophobicContact CD1-CE1 4.2Å; L36-F50 HydrophobicContact CD1-CZ 3.92Å; I48-F50 HydrophobicContact CD1-CE1 4.05Å; I48-F50 HydrophobicContact CG1-CD1 4.26Å; I48-F50 HydrophobicContact CG1-CE1 4.01Å; I48-F50 HydrophobicContact CG2-CD1 4.45Å; I48-F50 HydrophobicContact CG2-CE1 3.99Å; F50-L59 HydrophobicContact CB-CD1 4.15Å; F50-L59 HydrophobicContact CD2-CD1 4.07Å; F50-L59 HydrophobicContact CD2-CD2 4.03Å; F50-L59 HydrophobicContact CE2-CD2 4.33Å; F50-C76 WeakPolarHBondContact O-CA 2.86Å; F50-I77 HydrophobicContact CB-CG2 3.8Å; F50-I77 PolarHBondContact N-O 3.03Å; F50-I77 PolarHBondContact O-N 2.91Å; F50-F79 AromaticContact CD1-CD2 3.82Å; F50-F79 HydrophobicContact CD1-CD2 3.82Å; F50-F79 AromaticContact CD1-CE2 3.77Å; F50-F79 HydrophobicContact CD1-CE2 3.77Å; F50-F79 HydrophobicContact CE1-CD2 4.03Å; F50-F79 HydrophobicContact CE1-CE2 4.09Å; F50-F79 HydrophobicContact CG-CE2 4.11Å
51C86.3Confident83.5Confident4 Ų468 Ų683%0.02732%0.321CS..EExtended strand (participates in β ladder)trans-117.4118.9179.1-580000109.5T60 P66 L75C51-T60 PolarHBondContact N-O 2.97Å; C51-T60 PolarHBondContact O-N 3.36Å; C51-T60 PolarHBondContact O-OG1 2.84Å; C51-P66 VanDerWaalsContact SG-CD 3.53Å; C51-P66 VanDerWaalsContact SG-CG 3.52Å; C51-L75 CarbonylContact C-O 3.26Å; C51-L75 WeakPolarHBondContact CA-O 3.38Å
52W85Confident83.5Confident30 Ų3066.2 Ų66.211%0.11432%0.315CS..EExtended strand (participates in β ladder)trans-101.6107.4175.2179-107.5000109.9F19 V21 L23 R54 R57 L59 T74 L75F19-W52 HydrophobicContact CB-CB 4.41Å; F19-W52 HydrophobicContact CB-CG 4.41Å; F19-W52 HydrophobicContact CD1-CB 3.96Å; F19-W52 HydrophobicContact CD2-CB 3.76Å; F19-W52 HydrophobicContact CD2-CG 4.45Å; F19-W52 HydrophobicContact CE1-CB 4.12Å; F19-W52 HydrophobicContact CE2-CB 3.91Å; F19-W52 HydrophobicContact CG-CB 3.78Å; F19-W52 HydrophobicContact CG-CG 4.29Å; F19-W52 HydrophobicContact CZ-CB 4.08Å; V21-W52 HydrophobicContact CB-CZ2 4.47Å; V21-W52 HydrophobicContact CG1-CH2 3.98Å; V21-W52 HydrophobicContact CG1-CZ2 3.87Å; V21-W52 HydrophobicContact CG2-CZ2 4.1Å; L23-W52 HydrophobicContact CD2-CE3 3.82Å; L23-W52 HydrophobicContact CD2-CZ3 3.75Å; W52-R54 PolarHBondContact O-N 2.91Å; W52-R57 HydrophobicContact CH2-CB 4.15Å; W52-R57 VanDerWaalsContact CH2-O 3.28Å; W52-R57 WeakPolarHBondContact CH2-O 3.5Å; W52-R57 HydrophobicContact CZ2-CB 4.14Å; W52-R57 HydrophobicContact CZ2-CG 4.47Å; W52-L59 HydrophobicContact CE3-CB 4.01Å; W52-L59 HydrophobicContact CZ3-CB 4.24Å; W52-T74 WeakPolarHBondContact O-CA 3.38Å; W52-L75 PolarHBondContact N-O 3.42Å; W52-L75 PolarHBondContact O-N 3.49Å
53S81.4Confident83.5Confident13 Ų1365.4 Ų65.49%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-81.1111.3171.5179.80000109.6L55 K56 R57 K58S53-L55 PolarHBondContact O-N 2.91Å; S53-K56 PolarHBondContact O-N 3.16Å; S53-K56 PolarHBondContact OG-N 2.81Å; S53-R57 VanDerWaalsContact O-CA 3.31Å; S53-R57 WeakPolarHBondContact O-CA 3.34Å; S53-R57 PolarHBondContact O-N 3.5Å; S53-K58 PolarHBondContact N-O 3.48Å
54R76.9Confident83.3Confident157 Ų15767.5 Ų67.559%0.59232%0.322SS*.THydrogen-bonded Turntrans-60-36.6176.6-73.1-178.4171.1-177.3-1.3112.1W52W52-R54 PolarHBondContact O-N 2.91Å
55L73.7Confident83.2Confident132 Ų13260.8 Ų60.869%0.69130%0.297SS*.THydrogen-bonded Turntrans-68.1-49.3178.7-72167.7000112.3S53 R57S53-L55 PolarHBondContact O-N 2.91Å; L55-R57 VanDerWaalsContact C-N 3.33Å
56K76.8Confident82.5Confident168 Ų16862.8 Ų62.873%0.7331%0.309SS*.THydrogen-bonded Turntrans-83.2-10.5-177.9-63.5175.6-178.4167.20113.1S53 K58S53-K56 PolarHBondContact O-N 3.16Å; S53-K56 PolarHBondContact OG-N 2.81Å; K56-K58 HydrophobicContact CB-CB 4.19Å; K56-K58 PolarHBondContact O-N 3.36Å; K56-K58 VanDerWaalsContact O-N 3.14Å
57R77.6Confident81.7Confident208 Ų20866.1 Ų66.179%0.78533%0.327SS*.THydrogen-bonded Turntrans44.141.1-170.2-66.4-171.8175.1-175.1-0.9112.4W52 S53 L55W52-R57 HydrophobicContact CH2-CB 4.15Å; W52-R57 VanDerWaalsContact CH2-O 3.28Å; W52-R57 WeakPolarHBondContact CH2-O 3.5Å; W52-R57 HydrophobicContact CZ2-CB 4.14Å; W52-R57 HydrophobicContact CZ2-CG 4.47Å; S53-R57 VanDerWaalsContact O-CA 3.31Å; S53-R57 WeakPolarHBondContact O-CA 3.34Å; S53-R57 PolarHBondContact O-N 3.5Å; L55-R57 VanDerWaalsContact C-N 3.33Å
58K80.4Confident80.7Confident90 Ų9066 Ų6639%0.39132%0.323SS..EExtended strand (participates in β ladder)trans-125.5134.3-175.6-169.8-179175.4-165.80109.1D29 S53 K56D29-K58 WeakPolarHBondContact OD2-CE 3.47Å; D29-K58 IonicContact OD2-NZ 3.77Å; D29-K58 PolarHBondContact OD2-NZ 2.99Å; S53-K58 PolarHBondContact N-O 3.48Å; K56-K58 HydrophobicContact CB-CB 4.19Å; K56-K58 PolarHBondContact O-N 3.36Å; K56-K58 VanDerWaalsContact O-N 3.14Å
59L84Confident79.2Confident3 Ų371.7 Ų71.72%0.01635%0.353CS..EExtended strand (participates in β ladder)trans-88.1129.3168.8-177.770.1000109F12 F19 L23 L28 F50 W52F12-L59 HydrophobicContact CD1-CD2 4.31Å; F12-L59 HydrophobicContact CE1-CD2 3.7Å; F19-L59 HydrophobicContact CE2-CD1 4.13Å; L23-L59 HydrophobicContact CB-CD2 4.48Å; L23-L59 HydrophobicContact CD1-CD1 3.95Å; L23-L59 HydrophobicContact CD1-CD2 3.9Å; L23-L59 HydrophobicContact CD1-CG 4.48Å; L23-L59 HydrophobicContact CD2-CB 4.28Å; L23-L59 HydrophobicContact CD2-CD2 4.25Å; L23-L59 HydrophobicContact CG-CD2 4.45Å; L28-L59 HydrophobicContact CD2-CD2 4.01Å; F50-L59 HydrophobicContact CB-CD1 4.15Å; F50-L59 HydrophobicContact CD2-CD1 4.07Å; F50-L59 HydrophobicContact CD2-CD2 4.03Å; F50-L59 HydrophobicContact CE2-CD2 4.33Å; W52-L59 HydrophobicContact CE3-CB 4.01Å; W52-L59 HydrophobicContact CZ3-CB 4.24Å
60T84.4Confident77.8Confident57 Ų5778.5 Ų78.535%0.3539%0.39SS..EExtended strand (participates in β ladder)trans-121.9134.3169.852.10000109.2C51C51-T60 PolarHBondContact N-O 2.97Å; C51-T60 PolarHBondContact O-N 3.36Å; C51-T60 PolarHBondContact O-OG1 2.84Å
61C86.9Confident76.1Confident9 Ų985.9 Ų85.96%0.06143%0.429CS..EExtended strand (participates in β ladder)trans-110.1129174.7-57.10000110.1L28 S32 I48 A49L28-C61 VanDerWaalsContact CD2-SG 3.54Å; S32-C61 PolarHBondContact OG-N 3.46Å; I48-C61 HydrophobicContact CD1-CB 4.04Å; I48-C61 HydrophobicContact CG1-CB 4.24Å; A49-C61 VanDerWaalsContact O-CA 3.25Å; A49-C61 WeakPolarHBondContact O-CA 3.35Å
62S84.7Confident74.8Confident38 Ų3888.6 Ų88.627%0.26644%0.443SS..EExtended strand (participates in β ladder)trans-131.1149.6178.252.10000110.8I48 A49 L64I48-S62 CarbonylContact C-O 3.53Å; I48-S62 WeakPolarHBondContact CA-O 3.32Å; A49-S62 PolarHBondContact N-O 3.3Å; A49-S62 PolarHBondContact O-N 2.83Å; S62-L64 WeakPolarHBondContact CB-O 3.27Å; S62-L64 PolarHBondContact O-N 2.95Å; S62-L64 PolarHBondContact OG-O 3.02Å
63E84.9Confident74Confident74 Ų7489.7 Ų89.735%0.34646%0.456SS..SBendtrans-65.7-22.7179.1-61.2176.5-169.800112.2A35 R38 S47A35-E63 HydrophobicContact CB-CG 4.24Å; R38-E63 VanDerWaalsContact CD-OE1 3.32Å; R38-E63 WeakPolarHBondContact CD-OE1 3.36Å; R38-E63 IonicContact CZ-OE1 3.97Å; R38-E63 IonicContact NH1-OE1 2.89Å; R38-E63 PolarHBondContact NH1-OE1 3.38Å; S47-E63 CarbonylContact C-O 3.59Å; S47-E63 VanDerWaalsContact O-O 3.11Å; S47-E63 PolarHBondContact OG-O 3.1Å
64L78.6Confident73.7Confident132 Ų13289.7 Ų89.769%0.69146%0.455SS*.SBendtrans-123.8152.6177.8-65.6169.2000110.8S62 P66S62-L64 WeakPolarHBondContact CB-O 3.27Å; S62-L64 PolarHBondContact O-N 2.95Å; S62-L64 PolarHBondContact OG-O 3.02Å; L64-P66 WeakPolarHBondContact O-CD 3.41Å
65V76.6Confident73.8Confident54 Ų5483.2 Ų83.233%0.32743%0.432SS..PPolyproline II helixtrans-65.4122.3171.2179.50000108.4A49 F68 A78 V101A49-V65 HydrophobicContact CB-CG2 4.05Å; V65-F68 HydrophobicContact CG1-CE2 3.8Å; V65-F68 HydrophobicContact CG1-CZ 4.01Å; V65-A78 HydrophobicContact CG2-CB 3.9Å; V65-V101 HydrophobicContact CG1-CG1 4.29Å; V65-V101 HydrophobicContact CG1-CG2 4.42Å; V65-V101 HydrophobicContact CG2-CG2 4.39Å
66P69.8Low74.4Confident51 Ų5177 Ų7733%0.33140%0.4SS..PPolyproline II helixtrans-69.2155-179.828-32.6000111.3C51 L64 F68C51-P66 VanDerWaalsContact SG-CD 3.53Å; C51-P66 VanDerWaalsContact SG-CG 3.52Å; L64-P66 WeakPolarHBondContact O-CD 3.41Å; P66-F68 HydrophobicContact CG-CE1 3.96Å; P66-F68 HydrophobicContact CG-CZ 4.07Å; P66-F68 WeakPolarHBondContact O-CE2 3.27Å
67T67.3Low75Confident139 Ų13969.1 Ų69.185%0.85337%0.366SS*.PPolyproline II helixtrans-71.2126.1167.848.80000109.2
68F67.8Low75.5Confident25 Ų2559.8 Ų59.811%0.1133%0.333CS..PPolyproline II helixtrans-93.2134.5179.7-55.8-73000110.2V65 P66 T74 C76 V101 P103V65-F68 HydrophobicContact CG1-CE2 3.8Å; V65-F68 HydrophobicContact CG1-CZ 4.01Å; P66-F68 HydrophobicContact CG-CE1 3.96Å; P66-F68 HydrophobicContact CG-CZ 4.07Å; P66-F68 WeakPolarHBondContact O-CE2 3.27Å; F68-T74 WeakPolarHBondContact CD1-OG1 3.39Å; F68-T74 WeakPolarHBondContact CE1-OG1 3.3Å; F68-C76 HydrophobicContact CE1-CB 4.2Å; F68-C76 HydrophobicContact CE2-CB 4.36Å; F68-C76 HydrophobicContact CZ-CB 3.51Å; F68-V101 HydrophobicContact CE2-CG1 4.12Å; F68-P103 HydrophobicContact CB-CB 4Å; F68-P103 HydrophobicContact CD1-CG 4.19Å; F68-P103 HydrophobicContact CD2-CB 4.19Å; F68-P103 HydrophobicContact CD2-CG 4.2Å; F68-P103 HydrophobicContact CG-CB 3.99Å; F68-P103 HydrophobicContact CG-CG 4.02Å
69D60.5Low76Confident120 Ų12055.5 Ų55.564%0.64231%0.314SS*.PPolyproline II helixtrans-76.5152.9169-73.3-25.2000109.9N71 D72D69-N71 PolarHBondContact O-N 3.19Å; D69-D72 WeakPolarHBondContact O-CB 3.22Å; D69-D72 PolarHBondContact O-N 2.78Å
70D58.9Low76.3Confident144 Ų14460.1 Ų60.177%0.7733%0.332SS*.THydrogen-bonded Turntrans-55.8-20.6-176.5-77.2-28.8000114.4
71N55.2Low76.5Confident156 Ų15658.1 Ų58.183%0.83432%0.319SS*.THydrogen-bonded Turntrans-100.24.3179.4-79.7-25.2000114.6D69 S73D69-N71 PolarHBondContact O-N 3.19Å; N71-S73 PolarHBondContact O-N 2.81Å
72D58.6Low76.4Confident60 Ų6061.1 Ų61.132%0.32134%0.337SS..  trans-85.1107.7-174.7-107.8-16.3000112.4D69 T74D69-D72 WeakPolarHBondContact O-CB 3.22Å; D69-D72 PolarHBondContact O-N 2.78Å; D72-T74 HydrophobicContact CB-CG2 4.36Å; D72-T74 PolarHBondContact O-N 3.14Å
73S68.3Low76.2Confident54 Ų5464 Ų6438%0.37835%0.345SS..  trans-77.536.8172.558.80000113.1N71N71-S73 PolarHBondContact O-N 2.81Å
74T75.6Confident76.1Confident13 Ų1365.2 Ų65.28%0.0836%0.359CS..EExtended strand (participates in β ladder)trans-84129.2-179.742.80000111W52 F68 D72 P103W52-T74 WeakPolarHBondContact O-CA 3.38Å; F68-T74 WeakPolarHBondContact CD1-OG1 3.39Å; F68-T74 WeakPolarHBondContact CE1-OG1 3.3Å; D72-T74 HydrophobicContact CB-CG2 4.36Å; D72-T74 PolarHBondContact O-N 3.14Å; T74-P103 WeakPolarHBondContact O-CG 3.29Å
75L80.3Confident76.3Confident21 Ų2162 Ų6211%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-92.2135.6169.9-63173.6000108.9F19 C51 W52F19-L75 HydrophobicContact CD1-CB 3.45Å; F19-L75 VanDerWaalsContact CD1-CB 3.45Å; F19-L75 HydrophobicContact CD1-CD1 4Å; F19-L75 HydrophobicContact CD1-CG 4.4Å; F19-L75 HydrophobicContact CE1-CB 3.47Å; F19-L75 VanDerWaalsContact CE1-CB 3.47Å; F19-L75 WeakPolarHBondContact CE1-O 3.39Å; C51-L75 CarbonylContact C-O 3.26Å; C51-L75 WeakPolarHBondContact CA-O 3.38Å; W52-L75 PolarHBondContact N-O 3.42Å; W52-L75 PolarHBondContact O-N 3.49Å
76C85.6Confident76.6Confident0 Ų061.1 Ų61.10%034%0.343CS..EExtended strand (participates in β ladder)trans-126.3129.4-178.9-175.60000111.7F50 F68 V101F50-C76 WeakPolarHBondContact O-CA 2.86Å; F68-C76 HydrophobicContact CE1-CB 4.2Å; F68-C76 HydrophobicContact CE2-CB 4.36Å; F68-C76 HydrophobicContact CZ-CB 3.51Å; C76-V101 HydrophobicContact CB-CB 4.27Å; C76-V101 PolarHBondContact O-N 3.12Å
77I88.5Confident77.3Confident4 Ų458.7 Ų58.72%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-124126.2168.1-163.4174000108.4T14 A15 Y18 F19 F50 F79 V98T14-I77 HydrophobicContact CG2-CD1 4.33Å; A15-I77 HydrophobicContact CB-CG2 4.06Å; Y18-I77 HydrophobicContact CD1-CB 3.91Å; Y18-I77 HydrophobicContact CD1-CD1 4.12Å; Y18-I77 HydrophobicContact CD1-CG1 4.42Å; Y18-I77 HydrophobicContact CD1-CG2 4.49Å; Y18-I77 HydrophobicContact CD2-CD1 4.32Å; Y18-I77 HydrophobicContact CE1-CB 4.28Å; Y18-I77 HydrophobicContact CG-CB 4.46Å; Y18-I77 HydrophobicContact CG-CD1 3.81Å; F19-I77 HydrophobicContact CE1-CB 4.47Å; F19-I77 HydrophobicContact CE1-CG2 4.29Å; F19-I77 HydrophobicContact CE2-CG2 4.04Å; F19-I77 HydrophobicContact CZ-CB 4.19Å; F19-I77 HydrophobicContact CZ-CG2 3.59Å; F50-I77 HydrophobicContact CB-CG2 3.8Å; F50-I77 PolarHBondContact N-O 3.03Å; F50-I77 PolarHBondContact O-N 2.91Å; I77-F79 HydrophobicContact CD1-CZ 4.23Å; I77-F79 HydrophobicContact CG1-CZ 4.48Å; I77-F79 HydrophobicContact CG2-CE2 3.85Å; I77-F79 HydrophobicContact CG2-CZ 4.2Å; I77-V98 HydrophobicContact CD1-CG1 3.45Å; I77-V98 VanDerWaalsContact CD1-CG1 3.45Å; I77-V98 HydrophobicContact CG1-CG1 3.59Å
78A88.4Confident78Confident12 Ų1255.8 Ų55.810%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-108.2133.7179.500000109.9I48 A49 V65 V99I48-A78 WeakPolarHBondContact O-CA 3.45Å; A49-A78 HydrophobicContact CB-CB 4.48Å; V65-A78 HydrophobicContact CG2-CB 3.9Å; A78-V99 PolarHBondContact N-O 3.19Å; A78-V99 PolarHBondContact O-N 3.13Å
79F91Very high78.5Confident0 Ų063.9 Ų63.90%034%0.336CS..EExtended strand (participates in β ladder)trans-106.1136.3171.2-58.1-89000108L11 T14 F39 S47 I48 F50 I77 V96 S97 V98L11-F79 HydrophobicContact CD2-CB 4.23Å; L11-F79 HydrophobicContact CD2-CD1 3.47Å; L11-F79 VanDerWaalsContact CD2-CD1 3.47Å; L11-F79 HydrophobicContact CD2-CD2 4.18Å; L11-F79 HydrophobicContact CD2-CE1 3.78Å; L11-F79 HydrophobicContact CD2-CE2 4.43Å; L11-F79 HydrophobicContact CD2-CG 3.7Å; L11-F79 HydrophobicContact CD2-CZ 4.26Å; T14-F79 HydrophobicContact CG2-CE1 3.84Å; T14-F79 HydrophobicContact CG2-CZ 4.03Å; F39-F79 HydrophobicContact CE1-CB 4.35Å; F39-F79 HydrophobicContact CZ-CB 4.09Å; S47-F79 CarbonylContact C-O 3.44Å; S47-F79 WeakPolarHBondContact CA-O 3.33Å; I48-F79 HydrophobicContact CG2-CB 3.94Å; I48-F79 HydrophobicContact CG2-CD2 4.32Å; I48-F79 PolarHBondContact N-O 3.05Å; I48-F79 PolarHBondContact O-N 2.91Å; F50-F79 AromaticContact CD1-CD2 3.82Å; F50-F79 HydrophobicContact CD1-CD2 3.82Å; F50-F79 AromaticContact CD1-CE2 3.77Å; F50-F79 HydrophobicContact CD1-CE2 3.77Å; F50-F79 HydrophobicContact CE1-CD2 4.03Å; F50-F79 HydrophobicContact CE1-CE2 4.09Å; F50-F79 HydrophobicContact CG-CE2 4.11Å; I77-F79 HydrophobicContact CD1-CZ 4.23Å; I77-F79 HydrophobicContact CG1-CZ 4.48Å; I77-F79 HydrophobicContact CG2-CE2 3.85Å; I77-F79 HydrophobicContact CG2-CZ 4.2Å; F79-V96 HydrophobicContact CB-CG1 4.04Å; F79-V96 HydrophobicContact CD1-CG1 4.01Å; F79-S97 WeakPolarHBondContact CA-O 2.92Å; F79-V98 HydrophobicContact CD1-CB 4.46Å; F79-V98 HydrophobicContact CD1-CG1 4.29Å; F79-V98 HydrophobicContact CD1-CG2 3.72Å; F79-V98 HydrophobicContact CE1-CB 4.48Å; F79-V98 HydrophobicContact CE1-CG1 4Å; F79-V98 HydrophobicContact CE1-CG2 3.73Å
80Y90.4Very high79.4Confident100 Ų10066.8 Ų66.839%0.39235%0.346SS..EExtended strand (participates in β ladder)trans-138.3152.8174.771.6-84.6000111.5S46 T82 V96 S97 V99S46-Y80 CarbonylContact O-C 3.54Å; S46-Y80 WeakPolarHBondContact O-CA 3.39Å; S46-Y80 WeakPolarHBondContact O-CB 3.43Å; Y80-T82 HydrophobicContact CE2-CG2 4.22Å; Y80-V96 WeakPolarHBondContact O-CA 3.09Å; Y80-S97 VanDerWaalsContact CE1-CB 3.43Å; Y80-S97 PolarHBondContact N-O 3.37Å; Y80-S97 PolarHBondContact O-N 2.89Å; Y80-S97 WeakPolarHBondContact OH-CB 3.49Å; Y80-V99 HydrophobicContact CD1-CG2 4.43Å; Y80-V99 HydrophobicContact CE1-CG2 3.79Å
81K88.1Confident80.6Confident14 Ų1460.9 Ų60.96%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-89128.8177-55.2-178.4-174.6-1770109.7F39 E42 C45 S46 K83 V85 L87 I95F39-K81 HydrophobicContact CE2-CD 4.39Å; F39-K81 HydrophobicContact CE2-CG 3.72Å; F39-K81 HydrophobicContact CZ-CG 3.93Å; F39-K81 WeakPolarHBondContact O-CE 3.36Å; F39-K81 PolarHBondContact O-NZ 3.18Å; E42-K81 PolarHBondContact O-NZ 3.29Å; C45-K81 VanDerWaalsContact O-CE 3.24Å; C45-K81 WeakPolarHBondContact O-CE 3.28Å; C45-K81 PolarHBondContact O-NZ 2.93Å; S46-K81 PolarHBondContact O-N 3.36Å; K81-K83 WeakPolarHBondContact CB-O 3.41Å; K81-K83 PolarHBondContact O-N 2.9Å; K81-V85 WeakPolarHBondContact CD-O 3.1Å; K81-V85 PolarHBondContact NZ-O 3.02Å; K81-L87 HydrophobicContact CD-CD2 4.43Å; K81-L87 HydrophobicContact CD-CG 4.37Å; K81-L87 HydrophobicContact CG-CD2 4.43Å; K81-I95 CarbonylContact C-O 3.54Å; K81-I95 WeakPolarHBondContact CA-O 3.44Å; K81-I95 HydrophobicContact CB-CG2 3.8Å; K81-I95 HydrophobicContact CG-CG2 4.3Å
82T84.7Confident81.8Confident73 Ų7354 Ų5445%0.44828%0.277SS..SBendtrans-72.4-20.2171.657.50000112.3Y80 I95Y80-T82 HydrophobicContact CE2-CG2 4.22Å; T82-I95 PolarHBondContact N-O 2.89Å; T82-I95 WeakPolarHBondContact OG1-CA 3.39Å; T82-I95 PolarHBondContact OG1-O 2.96Å; T82-I95 VanDerWaalsContact OG1-O 3.11Å
83K81.4Confident82.7Confident98 Ų9858.8 Ų58.843%0.42630%0.298SS..SBendtrans-135.3138.7179-61.7172.7-173165.20110K81 V85 E94 I95K81-K83 WeakPolarHBondContact CB-O 3.41Å; K81-K83 PolarHBondContact O-N 2.9Å; K83-V85 HydrophobicContact CB-CG2 4.09Å; K83-V85 PolarHBondContact O-N 3.41Å; K83-E94 IonicContact NZ-OE1 3.26Å; K83-E94 PolarHBondContact NZ-OE1 2.84Å; K83-I95 HydrophobicContact CB-CG2 4.38Å
84P82.8Confident83.4Confident100 Ų10062.6 Ų62.665%0.64931%0.31SS*.SBendtrans-78.365.3-175.333.6-36.7000112.1N43N43-P84 WeakPolarHBondContact CB-O 3.45Å
85V83.4Confident83.8Confident63 Ų6362.5 Ų62.538%0.38231%0.309SS..  trans-123.4149.7-175.5-168.90000109.6K81 K83 I95K81-V85 WeakPolarHBondContact CD-O 3.1Å; K81-V85 PolarHBondContact NZ-O 3.02Å; K83-V85 HydrophobicContact CB-CG2 4.09Å; K83-V85 PolarHBondContact O-N 3.41Å; V85-I95 HydrophobicContact CB-CD1 4.24Å
86A82.8Confident84.1Confident36 Ų3662.1 Ų62.130%0.29831%0.307SS..  trans-64.2136.3169.700000109.2N43 D88 N91N43-A86 WeakPolarHBondContact OD1-CB 3.28Å; N43-A86 PolarHBondContact OD1-N 3.37Å; A86-D88 PolarHBondContact O-N 2.84Å; A86-N91 PolarHBondContact O-ND2 3.21Å
87L83.3Confident84.2Confident1 Ų163.9 Ų63.91%0.00532%0.32CS..  trans-81.3123.3-176.4-64.4171.7000109.1R7 F39 L40 K81 N91 L92 I95 V96R7-L87 WeakPolarHBondContact CD-O 3.4Å; R7-L87 PolarHBondContact NH1-O 2.89Å; F39-L87 HydrophobicContact CD1-CD1 3.99Å; F39-L87 HydrophobicContact CE1-CD1 3.51Å; F39-L87 HydrophobicContact CZ-CD1 4Å; L40-L87 HydrophobicContact CD2-CD1 4.07Å; L40-L87 PolarHBondContact O-N 3.38Å; K81-L87 HydrophobicContact CD-CD2 4.43Å; K81-L87 HydrophobicContact CD-CG 4.37Å; K81-L87 HydrophobicContact CG-CD2 4.43Å; L87-N91 VanDerWaalsContact CA-OD1 3.29Å; L87-N91 WeakPolarHBondContact CA-OD1 3.38Å; L87-L92 HydrophobicContact CB-CD1 4.08Å; L87-L92 HydrophobicContact CD1-CD1 4.1Å; L87-L92 HydrophobicContact CG-CD1 4.46Å; L87-I95 HydrophobicContact CD2-CB 4.13Å; L87-I95 HydrophobicContact CD2-CG2 4Å; L87-V96 HydrophobicContact CD1-CG2 3.65Å; L87-V96 HydrophobicContact CD2-CG2 3.64Å; L87-V96 HydrophobicContact CG-CG2 4.31Å
88D82.3Confident84.1Confident77 Ų7767 Ų6741%0.41234%0.338SS..  trans-108.8-175.316963.843.1000109.5A86 E90 N91A86-D88 PolarHBondContact O-N 2.84Å; D88-E90 VanDerWaalsContact C-N 3.3Å; D88-E90 PolarHBondContact O-N 3.18Å; D88-E90 WeakPolarHBondContact OD1-CA 3.37Å; D88-E90 PolarHBondContact OD1-N 3.46Å; D88-N91 VanDerWaalsContact CG-CG 3.45Å; D88-N91 PolarHBondContact N-ND2 2.82Å; D88-N91 PolarHBondContact N-OD1 3.01Å; D88-N91 PolarHBondContact O-OD1 3.32Å; D88-N91 WeakPolarHBondContact OD1-CB 3.31Å; D88-N91 PolarHBondContact OD1-N 3.4Å; D88-N91 PolarHBondContact OD1-ND2 2.9Å; D88-N91 PolarHBondContact OD2-ND2 3.34Å
89R77.7Confident83.9Confident195 Ų19569.7 Ų69.774%0.73635%0.354SS*.THydrogen-bonded Turntrans-71.9-24.8-177.8-68.3-175.2-177-167-2.8113.1P6P6-R89 HydrophobicContact CG-CG 4.15Å; P6-R89 VanDerWaalsContact CG-CZ 3.41Å
90E80Confident83.4Confident182 Ų18272.6 Ų72.685%0.8537%0.374SS*.THydrogen-bonded Turntrans-90.9-36.8-174.1-62.9-176.3178.400111D88D88-E90 VanDerWaalsContact C-N 3.3Å; D88-E90 PolarHBondContact O-N 3.18Å; D88-E90 WeakPolarHBondContact OD1-CA 3.37Å; D88-E90 PolarHBondContact OD1-N 3.46Å
91N84.4Confident82.7Confident20 Ų2068.2 Ų68.211%0.10736%0.358CS..THydrogen-bonded Turntrans-86.9-13.1-173.676.621.4000114.2A86 L87 D88 Q93 E94 I95A86-N91 PolarHBondContact O-ND2 3.21Å; L87-N91 VanDerWaalsContact CA-OD1 3.29Å; L87-N91 WeakPolarHBondContact CA-OD1 3.38Å; D88-N91 VanDerWaalsContact CG-CG 3.45Å; D88-N91 PolarHBondContact N-ND2 2.82Å; D88-N91 PolarHBondContact N-OD1 3.01Å; D88-N91 PolarHBondContact O-OD1 3.32Å; D88-N91 WeakPolarHBondContact OD1-CB 3.31Å; D88-N91 PolarHBondContact OD1-N 3.4Å; D88-N91 PolarHBondContact OD1-ND2 2.9Å; D88-N91 PolarHBondContact OD2-ND2 3.34Å; N91-Q93 VanDerWaalsContact C-N 3.35Å; N91-Q93 PolarHBondContact O-N 2.89Å; N91-E94 PolarHBondContact O-N 3.31Å; N91-I95 HydrophobicContact CB-CD1 3.68Å; N91-I95 HydrophobicContact CB-CG1 4.29Å; N91-I95 WeakPolarHBondContact O-CB 3.45Å; N91-I95 WeakPolarHBondContact O-CG1 3.12Å; N91-I95 PolarHBondContact O-N 2.79Å
92L79.8Confident81.7Confident10 Ų1072.7 Ų72.75%0.05238%0.379CS..Hα-helixtrans-54.9-46.8-172.5-166.289000112.7R7 F10 L87 V96R7-L92 HydrophobicContact CB-CD1 4.09Å; R7-L92 HydrophobicContact CG-CD1 4.45Å; F10-L92 HydrophobicContact CB-CD2 3.6Å; F10-L92 HydrophobicContact CD1-CD2 3.32Å; F10-L92 HydrophobicContact CD1-CG 4.18Å; F10-L92 HydrophobicContact CD2-CD2 4.22Å; F10-L92 HydrophobicContact CE1-CD2 4.01Å; F10-L92 HydrophobicContact CG-CD2 3.43Å; F10-L92 VanDerWaalsContact CG-CD2 3.43Å; L87-L92 HydrophobicContact CB-CD1 4.08Å; L87-L92 HydrophobicContact CD1-CD1 4.1Å; L87-L92 HydrophobicContact CG-CD1 4.46Å; L92-V96 HydrophobicContact CD1-CG2 4.21Å; L92-V96 HydrophobicContact CG-CG2 4.32Å; L92-V96 VanDerWaalsContact O-CB 3.24Å; L92-V96 WeakPolarHBondContact O-CB 3.5Å; L92-V96 WeakPolarHBondContact O-CG2 3.36Å; L92-V96 PolarHBondContact O-N 3.38Å
93Q78.9Confident80.4Confident162 Ų16270.5 Ų70.576%0.75737%0.366SS*.Hα-helixtrans-74.6-27.7-175.6-66.5-178.2-5.200113.2N91N91-Q93 VanDerWaalsContact C-N 3.35Å; N91-Q93 PolarHBondContact O-N 2.89Å
94E81.9Confident79Confident134 Ų13468.4 Ų68.463%0.62636%0.362SS*.Hα-helixtrans-81.8-35.6178.5-164.3-164.2137.800111.3K83 N91K83-E94 IonicContact NZ-OE1 3.26Å; K83-E94 PolarHBondContact NZ-OE1 2.84Å; N91-E94 PolarHBondContact O-N 3.31Å
95I85.2Confident78Confident10 Ų1065.8 Ų65.85%0.05134%0.344CS..Hα-helixtrans-94.1-34.8-170.1-61.1-178.8000112.2K81 T82 K83 V85 L87 N91K81-I95 CarbonylContact C-O 3.54Å; K81-I95 WeakPolarHBondContact CA-O 3.44Å; K81-I95 HydrophobicContact CB-CG2 3.8Å; K81-I95 HydrophobicContact CG-CG2 4.3Å; T82-I95 PolarHBondContact N-O 2.89Å; T82-I95 WeakPolarHBondContact OG1-CA 3.39Å; T82-I95 PolarHBondContact OG1-O 2.96Å; T82-I95 VanDerWaalsContact OG1-O 3.11Å; K83-I95 HydrophobicContact CB-CG2 4.38Å; V85-I95 HydrophobicContact CB-CD1 4.24Å; L87-I95 HydrophobicContact CD2-CB 4.13Å; L87-I95 HydrophobicContact CD2-CG2 4Å; N91-I95 HydrophobicContact CB-CD1 3.68Å; N91-I95 HydrophobicContact CB-CG1 4.29Å; N91-I95 WeakPolarHBondContact O-CB 3.45Å; N91-I95 WeakPolarHBondContact O-CG1 3.12Å; N91-I95 PolarHBondContact O-N 2.79Å
96V86.4Confident77.3Confident14 Ų1466.5 Ų66.59%0.08535%0.349CS..EExtended strand (participates in β ladder)trans-87.6120.9-174.1-177.70000110.9L11 F39 F79 Y80 L87 L92L11-V96 HydrophobicContact CD2-CG1 4.2Å; F39-V96 HydrophobicContact CZ-CG2 4.44Å; F79-V96 HydrophobicContact CB-CG1 4.04Å; F79-V96 HydrophobicContact CD1-CG1 4.01Å; Y80-V96 WeakPolarHBondContact O-CA 3.09Å; L87-V96 HydrophobicContact CD1-CG2 3.65Å; L87-V96 HydrophobicContact CD2-CG2 3.64Å; L87-V96 HydrophobicContact CG-CG2 4.31Å; L92-V96 HydrophobicContact CD1-CG2 4.21Å; L92-V96 HydrophobicContact CG-CG2 4.32Å; L92-V96 VanDerWaalsContact O-CB 3.24Å; L92-V96 WeakPolarHBondContact O-CB 3.5Å; L92-V96 WeakPolarHBondContact O-CG2 3.36Å; L92-V96 PolarHBondContact O-N 3.38Å
97S86.4Confident76.6Confident37 Ų3765.9 Ų65.926%0.25934%0.344SS..EExtended strand (participates in β ladder)trans-109154.2171.5-71.50000111F79 Y80F79-S97 WeakPolarHBondContact CA-O 2.92Å; Y80-S97 VanDerWaalsContact CE1-CB 3.43Å; Y80-S97 PolarHBondContact N-O 3.37Å; Y80-S97 PolarHBondContact O-N 2.89Å; Y80-S97 WeakPolarHBondContact OH-CB 3.49Å
98V86.6Confident75.9Confident68 Ų6870.2 Ų70.241%0.41236%0.364SS..EExtended strand (participates in β ladder)trans-122131.8-171.4-170.10000110T14 I77 F79T14-V98 HydrophobicContact CG2-CG1 4.49Å; I77-V98 HydrophobicContact CD1-CG1 3.45Å; I77-V98 VanDerWaalsContact CD1-CG1 3.45Å; I77-V98 HydrophobicContact CG1-CG1 3.59Å; F79-V98 HydrophobicContact CD1-CB 4.46Å; F79-V98 HydrophobicContact CD1-CG1 4.29Å; F79-V98 HydrophobicContact CD1-CG2 3.72Å; F79-V98 HydrophobicContact CE1-CB 4.48Å; F79-V98 HydrophobicContact CE1-CG1 4Å; F79-V98 HydrophobicContact CE1-CG2 3.73Å
99V85.2Confident75.4Confident69 Ų6968 Ų6842%0.41835%0.354SS..EExtended strand (participates in β ladder)trans-132.7127.8174.31750000109.4A78 Y80 V101A78-V99 PolarHBondContact N-O 3.19Å; A78-V99 PolarHBondContact O-N 3.13Å; Y80-V99 HydrophobicContact CD1-CG2 4.43Å; Y80-V99 HydrophobicContact CE1-CG2 3.79Å; V99-V101 HydrophobicContact CG1-CG2 4.45Å
100S80.5Confident75.3Confident61 Ų6162.5 Ų62.543%0.42734%0.339SS..EExtended strand (participates in β ladder)trans-82.6134.3168.655.70000110.3Y18Y18-S100 WeakPolarHBondContact OH-CB 3.24Å
101V74.9Confident75.1Confident9 Ų954.9 Ų54.96%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-115.3118.7173.3-177.90000108V65 F68 C76 V99 V106V65-V101 HydrophobicContact CG1-CG1 4.29Å; V65-V101 HydrophobicContact CG1-CG2 4.42Å; V65-V101 HydrophobicContact CG2-CG2 4.39Å; F68-V101 HydrophobicContact CE2-CG1 4.12Å; C76-V101 HydrophobicContact CB-CB 4.27Å; C76-V101 PolarHBondContact O-N 3.12Å; V99-V101 HydrophobicContact CG1-CG2 4.45Å; V101-V106 HydrophobicContact CG1-CB 4.48Å; V101-V106 HydrophobicContact CG1-CG2 3.93Å
102H67.9Low74.5Confident108 Ų10855.4 Ų55.450%0.532%0.315SS..  trans-96.3120.6176.4-128.446000109.9S109H102-S109 PolarHBondContact N-OG 3.1Å; H102-S109 PolarHBondContact O-OG 3.29Å
103P56.8Low74.4Confident26 Ų2656.4 Ų56.417%0.16932%0.324CS..SBendtrans-65.9159.5170.7-9.822.6000111.4F68 T74F68-P103 HydrophobicContact CB-CB 4Å; F68-P103 HydrophobicContact CD1-CG 4.19Å; F68-P103 HydrophobicContact CD2-CB 4.19Å; F68-P103 HydrophobicContact CD2-CG 4.2Å; F68-P103 HydrophobicContact CG-CB 3.99Å; F68-P103 HydrophobicContact CG-CG 4.02Å; T74-P103 WeakPolarHBondContact O-CG 3.29Å
104P51.6Low74.4Confident55 Ų5549.1 Ų49.136%0.35729%0.291SS..SBendcis-84.9-23.913.130-32.5000114.5
105T62.8Low73.8Confident44 Ų4446.1 Ų46.127%0.2728%0.277SS..  trans-124.8133.1-17561.40000114A107 E108T105-A107 PolarHBondContact O-N 2.91Å; T105-A107 VanDerWaalsContact O-N 3.15Å; T105-E108 PolarHBondContact O-N 2.93Å
106V67.6Low73.2Confident79 Ų7952.8 Ų52.848%0.47931%0.305SS..Hα-helixtrans-56.3-30.6174.9-177.80000111.7V101 E108 S109 L110V101-V106 HydrophobicContact CG1-CB 4.48Å; V101-V106 HydrophobicContact CG1-CG2 3.93Å; V106-E108 PolarHBondContact O-N 3.42Å; V106-S109 PolarHBondContact O-N 3.19Å; V106-L110 WeakPolarHBondContact O-CB 3.48Å; V106-L110 PolarHBondContact O-N 2.94Å
107A68.7Low72.5Confident23 Ų2356.4 Ų56.419%0.1933%0.327CS..Hα-helixtrans-62.7-38.7-178.900000113.4T105 L110 L111 L146 L150T105-A107 PolarHBondContact O-N 2.91Å; T105-A107 VanDerWaalsContact O-N 3.15Å; A107-L110 PolarHBondContact O-N 3.23Å; A107-L111 WeakPolarHBondContact O-CB 3.21Å; A107-L111 PolarHBondContact O-N 3.33Å; A107-L146 HydrophobicContact CB-CD2 4.27Å; A107-L150 HydrophobicContact CB-CD2 3.79Å; A107-L150 HydrophobicContact CB-CG 4.2Å
108E69Low72.1Confident91 Ų9160 Ų6043%0.42534%0.338SS..Hα-helixtrans-66.7-43.6177.5-70.3-174.8161.200111.6T105 V106 L110 L111 G112 L150T105-E108 PolarHBondContact O-N 2.93Å; V106-E108 PolarHBondContact O-N 3.42Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.21Å; E108-L111 PolarHBondContact O-N 2.58Å; E108-G112 PolarHBondContact O-N 3.12Å; E108-L150 HydrophobicContact CB-CD1 4.5Å; E108-L150 HydrophobicContact CB-CD2 4.41Å; E108-L150 HydrophobicContact CG-CD1 3.93Å; E108-L150 HydrophobicContact CG-CD2 3.36Å; E108-L150 HydrophobicContact CG-CG 4.27Å
109S71.6Confident71.4Confident30 Ų3056.9 Ų56.921%0.2132%0.32CS..Hα-helixtrans-62.1-39.8176.7-64.90000111.3H102 V106 A113H102-S109 PolarHBondContact N-OG 3.1Å; H102-S109 PolarHBondContact O-OG 3.29Å; V106-S109 PolarHBondContact O-N 3.19Å; S109-A113 WeakPolarHBondContact O-CB 3.23Å; S109-A113 PolarHBondContact O-N 3.04Å; S109-A113 VanDerWaalsContact O-N 3.08Å
110L75.9Confident70.8Confident80 Ų8055.8 Ų55.842%0.41931%0.314SS..Hα-helixtrans-66.9-46.8176.8-175.563.4000111.6V106 A107 E108 G112 A113 V114 L146V106-L110 WeakPolarHBondContact O-CB 3.48Å; V106-L110 PolarHBondContact O-N 2.94Å; A107-L110 PolarHBondContact O-N 3.23Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.21Å; L110-G112 VanDerWaalsContact C-N 3.34Å; L110-G112 PolarHBondContact O-N 3.2Å; L110-A113 PolarHBondContact O-N 2.95Å; L110-V114 HydrophobicContact CD1-CG2 4.2Å; L110-V114 HydrophobicContact CG-CG2 4.36Å; L110-V114 VanDerWaalsContact O-CG2 3.25Å; L110-V114 WeakPolarHBondContact O-CG2 3.37Å; L110-V114 PolarHBondContact O-N 3.41Å; L110-L146 HydrophobicContact CB-CD1 4.3Å; L110-L146 HydrophobicContact CD2-CD1 3.74Å; L110-L146 HydrophobicContact CD2-CD2 4.07Å; L110-L146 HydrophobicContact CG-CD1 3.76Å
111L74.5Confident70.1Confident22 Ų2256.2 Ų56.212%0.11532%0.315CS..Hα-helixtrans-58.5-47.3178179.963.2000110.9A107 E108 A113 V114 E115 Q143 L146 L150A107-L111 WeakPolarHBondContact O-CB 3.21Å; A107-L111 PolarHBondContact O-N 3.33Å; E108-L111 PolarHBondContact O-N 2.58Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-A113 PolarHBondContact O-N 2.97Å; L111-V114 PolarHBondContact O-N 2.94Å; L111-E115 HydrophobicContact CD1-CG 4.02Å; L111-E115 HydrophobicContact CG-CG 4.35Å; L111-E115 WeakPolarHBondContact O-CB 3.45Å; L111-E115 WeakPolarHBondContact O-CG 3.23Å; L111-E115 PolarHBondContact O-N 2.94Å; L111-Q143 HydrophobicContact CD1-CB 4.38Å; L111-Q143 HydrophobicContact CD1-CG 4.36Å; L111-L146 HydrophobicContact CB-CB 4.31Å; L111-L146 HydrophobicContact CB-CD1 4.43Å; L111-L146 HydrophobicContact CD1-CB 4.1Å; L111-L150 HydrophobicContact CB-CD1 4.07Å; L111-L150 HydrophobicContact CD2-CD1 3.62Å; L111-L150 HydrophobicContact CG-CD1 4.49Å
112G72Confident69.6Low32 Ų3258 Ų5833%0.3332%0.324SS..Hα-helixtrans-59.9-42.1177.600000113.1E108 L110 K116E108-G112 PolarHBondContact O-N 3.12Å; L110-G112 VanDerWaalsContact C-N 3.34Å; L110-G112 PolarHBondContact O-N 3.2Å; G112-K116 WeakPolarHBondContact O-CB 3.32Å; G112-K116 WeakPolarHBondContact O-CG 3.42Å; G112-K116 PolarHBondContact O-N 2.86Å
113A78.3Confident69.3Low31 Ų3157.1 Ų57.126%0.25632%0.323SS..Hα-helixtrans-65.3-44.2176.300000111.9S109 L110 L111 V117 F118S109-A113 WeakPolarHBondContact O-CB 3.23Å; S109-A113 PolarHBondContact O-N 3.04Å; S109-A113 VanDerWaalsContact O-N 3.08Å; L110-A113 PolarHBondContact O-N 2.95Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-A113 PolarHBondContact O-N 2.97Å; A113-V117 WeakPolarHBondContact O-CA 3.22Å; A113-V117 VanDerWaalsContact O-CB 3.24Å; A113-V117 WeakPolarHBondContact O-CB 3.42Å; A113-V117 PolarHBondContact O-N 3.3Å; A113-F118 HydrophobicContact CB-CD2 4.34Å; A113-F118 HydrophobicContact CB-CE2 4.09Å; A113-F118 WeakPolarHBondContact O-CD2 3.42Å; A113-F118 PolarHBondContact O-N 3.49Å; A113-F118 VanDerWaalsContact O-N 3.09Å
114V77.7Confident69.3Low9 Ų965.9 Ų65.96%0.05535%0.353CS..Iπ-helixtrans-64.3-46.6178.7177.70000110.6L110 L111 A119 V139 L142 Q143L110-V114 HydrophobicContact CD1-CG2 4.2Å; L110-V114 HydrophobicContact CG-CG2 4.36Å; L110-V114 VanDerWaalsContact O-CG2 3.25Å; L110-V114 WeakPolarHBondContact O-CG2 3.37Å; L110-V114 PolarHBondContact O-N 3.41Å; L111-V114 PolarHBondContact O-N 2.94Å; V114-A119 WeakPolarHBondContact O-CB 3.5Å; V114-A119 PolarHBondContact O-N 2.98Å; V114-V139 HydrophobicContact CG1-CG1 3.88Å; V114-L142 HydrophobicContact CG2-CD2 3.99Å; V114-Q143 HydrophobicContact CB-CG 4.45Å; V114-Q143 HydrophobicContact CG1-CG 3.58Å
115E70.9Confident69.2Low70 Ų7068.4 Ų68.433%0.32736%0.361SS..Iπ-helixtrans-67.2-46.6179.9-75.4-172.2-17900114.2L111 P120 Q143L111-E115 HydrophobicContact CD1-CG 4.02Å; L111-E115 HydrophobicContact CG-CG 4.35Å; L111-E115 WeakPolarHBondContact O-CB 3.45Å; L111-E115 WeakPolarHBondContact O-CG 3.23Å; L111-E115 PolarHBondContact O-N 2.94Å; E115-P120 WeakPolarHBondContact O-CD 3.48Å; E115-Q143 HydrophobicContact CG-CG 4.34Å
116K71.6Confident68.7Low151 Ų15170.4 Ų70.466%0.65739%0.39SS*.Iπ-helixtrans-96.7-24.2-167.2-54.3-53.9179.7-155.30113.2G112G112-K116 WeakPolarHBondContact O-CB 3.32Å; G112-K116 WeakPolarHBondContact O-CG 3.42Å; G112-K116 PolarHBondContact O-N 2.86Å
117V72Confident67.8Low89 Ų8971.2 Ų71.254%0.53940%0.399SS..Iπ-helixtrans-110.9-53.4-174.1-172.20000111.4A113 P121A113-V117 WeakPolarHBondContact O-CA 3.22Å; A113-V117 VanDerWaalsContact O-CB 3.24Å; A113-V117 WeakPolarHBondContact O-CB 3.42Å; A113-V117 PolarHBondContact O-N 3.3Å; V117-P121 WeakPolarHBondContact O-CD 3.49Å; V117-P121 WeakPolarHBondContact O-CG 3.27Å
118F78.7Confident66.8Low112 Ų11272.2 Ų72.249%0.49141%0.407SS..Iπ-helixtrans-89.5-41.8-169.8-61.8-67000114.2A113 P121 I122A113-F118 HydrophobicContact CB-CD2 4.34Å; A113-F118 HydrophobicContact CB-CE2 4.09Å; A113-F118 WeakPolarHBondContact O-CD2 3.42Å; A113-F118 PolarHBondContact O-N 3.49Å; A113-F118 VanDerWaalsContact O-N 3.09Å; F118-P121 VanDerWaalsContact O-CD 3.22Å; F118-P121 WeakPolarHBondContact O-CD 3.44Å; F118-P121 WeakPolarHBondContact O-CG 3.46Å; F118-I122 HydrophobicContact CB-CD1 4.2Å; F118-I122 WeakPolarHBondContact O-CB 3.44Å; F118-I122 VanDerWaalsContact O-CD1 3.26Å; F118-I122 WeakPolarHBondContact O-CD1 3.22Å; F118-I122 WeakPolarHBondContact O-CG1 3.37Å; F118-I122 PolarHBondContact O-N 3.49Å
119A71.6Confident66Low3 Ų371.7 Ų71.73%0.02541%0.411CS..Hα-helixtrans-61.9-44-178.800000113.5V114 I122 L123 V139 Q143V114-A119 WeakPolarHBondContact O-CB 3.5Å; V114-A119 PolarHBondContact O-N 2.98Å; A119-I122 PolarHBondContact O-N 2.9Å; A119-L123 HydrophobicContact CB-CD1 4.12Å; A119-L123 VanDerWaalsContact O-CB 3.31Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 WeakPolarHBondContact O-CG 3.49Å; A119-L123 PolarHBondContact O-N 3Å; A119-V139 HydrophobicContact CB-CG1 3.87Å; A119-Q143 VanDerWaalsContact CB-NE2 3.32Å
120P71.6Confident65.2Low46 Ų4679.1 Ų79.130%0.29944%0.442SS..Hα-helixtrans-58.2-46.3-177.4-23.834.1000115.1E115 R124E115-P120 WeakPolarHBondContact O-CD 3.48Å; P120-R124 WeakPolarHBondContact O-CB 3.37Å; P120-R124 WeakPolarHBondContact O-CD 3.35Å; P120-R124 WeakPolarHBondContact O-CG 3.27Å; P120-R124 PolarHBondContact O-N 3.41Å
121P66.1Low64.1Low70 Ų7078.3 Ų78.346%0.45545%0.447SS..Hα-helixtrans-71-37.6175.224.5-31.5000112.9V117 F118 L123 R124V117-P121 WeakPolarHBondContact O-CD 3.49Å; V117-P121 WeakPolarHBondContact O-CG 3.27Å; F118-P121 VanDerWaalsContact O-CD 3.22Å; F118-P121 WeakPolarHBondContact O-CD 3.44Å; F118-P121 WeakPolarHBondContact O-CG 3.46Å; P121-L123 VanDerWaalsContact C-N 3.31Å; P121-L123 PolarHBondContact O-N 2.93Å; P121-R124 PolarHBondContact O-N 2.92Å
122I65.6Low63.5Low48 Ų4879.5 Ų79.525%0.24645%0.453CS..Hα-helixtrans-63.5-38.5179.2-67.7170.4000111F118 A119 V135 Q136 V139F118-I122 HydrophobicContact CB-CD1 4.2Å; F118-I122 WeakPolarHBondContact O-CB 3.44Å; F118-I122 VanDerWaalsContact O-CD1 3.26Å; F118-I122 WeakPolarHBondContact O-CD1 3.22Å; F118-I122 WeakPolarHBondContact O-CG1 3.37Å; F118-I122 PolarHBondContact O-N 3.49Å; A119-I122 PolarHBondContact O-N 2.9Å; I122-V135 HydrophobicContact CD1-CG1 4.29Å; I122-V135 HydrophobicContact CG2-CG1 4.08Å; I122-Q136 HydrophobicContact CG2-CG 3.75Å; I122-Q136 PolarHBondContact O-NE2 3.24Å; I122-V139 HydrophobicContact CD1-CG2 4.01Å
123L61.4Low63Low89 Ų8981 Ų8147%0.46646%0.456SS..Hα-helixtrans-79.9-14.4178.9-64.6169.7000113.6A119 P121 Q136A119-L123 HydrophobicContact CB-CD1 4.12Å; A119-L123 VanDerWaalsContact O-CB 3.31Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 WeakPolarHBondContact O-CG 3.49Å; A119-L123 PolarHBondContact O-N 3Å; P121-L123 VanDerWaalsContact C-N 3.31Å; P121-L123 PolarHBondContact O-N 2.93Å; L123-Q136 HydrophobicContact CD2-CB 4.47Å; L123-Q136 HydrophobicContact CD2-CG 4.07Å
124R55.4Low62.5Low210 Ų21082 Ų8279%0.79246%0.464SS*.Hα-helixtrans-86.2-16.1177.6-81.2175.4-171.3-179.74.2114P120 P121 G126P120-R124 WeakPolarHBondContact O-CB 3.37Å; P120-R124 WeakPolarHBondContact O-CD 3.35Å; P120-R124 WeakPolarHBondContact O-CG 3.27Å; P120-R124 PolarHBondContact O-N 3.41Å; P121-R124 PolarHBondContact O-N 2.92Å; R124-G126 PolarHBondContact O-N 2.63Å
125M51.1Low61.9Low108 Ų10884.4 Ų84.453%0.53248%0.479SS..  trans-69.7102.6-178.8-72.8-85.2-94.500110.5S127M125-S127 VanDerWaalsContact C-N 3.34Å; M125-S127 PolarHBondContact O-N 3.26Å
126G52.2Low61.7Low85 Ų8583.1 Ų83.188%0.87647%0.472SS*.SBendtrans-76.7-12.6-174.700000115.6R124R124-G126 PolarHBondContact O-N 2.63Å
127S48.7Very low61.4Low96 Ų9682.2 Ų82.267%0.67147%0.47SS*.SBendtrans-112.264.4177.664.40000110.1M125 T129M125-S127 VanDerWaalsContact C-N 3.34Å; M125-S127 PolarHBondContact O-N 3.26Å; S127-T129 PolarHBondContact O-N 3.15Å; S127-T129 VanDerWaalsContact O-N 3.15Å
128A46.9Very low61.4Low44 Ų4483.2 Ų83.236%0.36447%0.472SS..  trans-65.5114.8-176.700000110.3D132 V133A128-D132 HydrophobicContact CB-CB 3.9Å; A128-V133 HydrophobicContact CB-CG2 3.69Å
129T53.2Low61.1Low81 Ų8178.6 Ų78.650%0.49745%0.453SS..  trans-63.1160.9160.263.10000108.8S127 A131 D132 V133S127-T129 PolarHBondContact O-N 3.15Å; S127-T129 VanDerWaalsContact O-N 3.15Å; T129-A131 PolarHBondContact O-N 3.31Å; T129-D132 WeakPolarHBondContact CB-OD2 3.46Å; T129-D132 PolarHBondContact N-OD2 3.38Å; T129-D132 WeakPolarHBondContact O-CB 3.28Å; T129-D132 PolarHBondContact O-N 3.37Å; T129-D132 PolarHBondContact OG1-N 3.48Å; T129-D132 PolarHBondContact OG1-OD2 3.32Å; T129-V133 PolarHBondContact O-N 2.84Å
130Q54.2Low60.9Low185 Ų18581.8 Ų81.886%0.86447%0.47SS*.Hα-helixtrans-54.7-29.7176.3-79.2-179.1-13.300112.5A134Q130-A134 PolarHBondContact O-N 3.46Å
131A51.8Low60.9Low63 Ų6385 Ų8552%0.52148%0.481SS..Hα-helixtrans-66.8-39.9173.300000112.3T129 V133 A134 V135T129-A131 PolarHBondContact O-N 3.31Å; A131-V133 PolarHBondContact O-N 3Å; A131-A134 PolarHBondContact O-N 3.47Å; A131-V135 VanDerWaalsContact O-CG2 3.28Å; A131-V135 WeakPolarHBondContact O-CG2 3.34Å; A131-V135 PolarHBondContact O-N 2.86Å
132D62.4Low61.1Low47 Ų4785.2 Ų85.225%0.25148%0.478SS..Hα-helixtrans-67.4-36.3179.9-60.6-46.1000112.1A128 T129 V135 Q136A128-D132 HydrophobicContact CB-CB 3.9Å; T129-D132 WeakPolarHBondContact CB-OD2 3.46Å; T129-D132 PolarHBondContact N-OD2 3.38Å; T129-D132 WeakPolarHBondContact O-CB 3.28Å; T129-D132 PolarHBondContact O-N 3.37Å; T129-D132 PolarHBondContact OG1-N 3.48Å; T129-D132 PolarHBondContact OG1-OD2 3.32Å; D132-V135 PolarHBondContact O-N 2.63Å; D132-Q136 WeakPolarHBondContact O-CB 3.44Å; D132-Q136 VanDerWaalsContact O-CG 3.3Å; D132-Q136 WeakPolarHBondContact O-CG 3.35Å; D132-Q136 PolarHBondContact O-N 2.9Å
133V61.7Low61.4Low65 Ų6584.7 Ų84.739%0.39447%0.474SS..Hα-helixtrans-65.7-42174.2-178.80000110.9A128 T129 A131 V135 Q136 H137A128-V133 HydrophobicContact CB-CG2 3.69Å; T129-V133 PolarHBondContact O-N 2.84Å; A131-V133 PolarHBondContact O-N 3Å; V133-V135 VanDerWaalsContact C-N 3.34Å; V133-Q136 PolarHBondContact O-N 3.21Å; V133-H137 PolarHBondContact O-N 2.93Å
134A66.9Low61.4Low50 Ų5083.9 Ų83.941%0.41347%0.473SS..Hα-helixtrans-63.6-40.5175.400000111.7Q130 A131 H137 L138Q130-A134 PolarHBondContact O-N 3.46Å; A131-A134 PolarHBondContact O-N 3.47Å; A134-H137 PolarHBondContact O-N 2.79Å; A134-L138 WeakPolarHBondContact O-CB 3.26Å; A134-L138 WeakPolarHBondContact O-CG 3.45Å; A134-L138 PolarHBondContact O-N 2.77Å
135V65.6Low61.8Low61 Ų6176.9 Ų76.937%0.3745%0.451SS..Hα-helixtrans-65.3-41.3175.2173.20000111.2I122 A131 D132 V133 H137 L138 V139I122-V135 HydrophobicContact CD1-CG1 4.29Å; I122-V135 HydrophobicContact CG2-CG1 4.08Å; A131-V135 VanDerWaalsContact O-CG2 3.28Å; A131-V135 WeakPolarHBondContact O-CG2 3.34Å; A131-V135 PolarHBondContact O-N 2.86Å; D132-V135 PolarHBondContact O-N 2.63Å; V133-V135 VanDerWaalsContact C-N 3.34Å; V135-H137 PolarHBondContact O-N 3.23Å; V135-L138 PolarHBondContact O-N 3.17Å; V135-V139 HydrophobicContact CG1-CG2 4.26Å; V135-V139 WeakPolarHBondContact O-CB 3.33Å; V135-V139 VanDerWaalsContact O-CG2 3.25Å; V135-V139 WeakPolarHBondContact O-CG2 3.41Å; V135-V139 PolarHBondContact O-N 3.18Å
136Q66.8Low62.4Low42 Ų4272.7 Ų72.720%0.19643%0.431CS..Hα-helixtrans-61.2-43.1174.7-76.3176.3-0.300112I122 L123 D132 V133 V139 N140I122-Q136 HydrophobicContact CG2-CG 3.75Å; I122-Q136 PolarHBondContact O-NE2 3.24Å; L123-Q136 HydrophobicContact CD2-CB 4.47Å; L123-Q136 HydrophobicContact CD2-CG 4.07Å; D132-Q136 WeakPolarHBondContact O-CB 3.44Å; D132-Q136 VanDerWaalsContact O-CG 3.3Å; D132-Q136 WeakPolarHBondContact O-CG 3.35Å; D132-Q136 PolarHBondContact O-N 2.9Å; V133-Q136 PolarHBondContact O-N 3.21Å; Q136-V139 PolarHBondContact O-N 3.05Å; Q136-N140 PolarHBondContact O-N 3.42Å; Q136-N140 PolarHBondContact O-ND2 3.35Å
137H66.3Low62.9Low133 Ų13371.7 Ų71.762%0.61641%0.408SS*.Hα-helixtrans-61.4-47.8173.9-100.5-73.4000112V133 A134 V135 V139 N140 E141V133-H137 PolarHBondContact O-N 2.93Å; A134-H137 PolarHBondContact O-N 2.79Å; V135-H137 PolarHBondContact O-N 3.23Å; H137-V139 VanDerWaalsContact C-N 3.34Å; H137-V139 PolarHBondContact O-N 3.01Å; H137-N140 PolarHBondContact O-N 3.26Å; H137-E141 WeakPolarHBondContact O-CB 3.47Å; H137-E141 PolarHBondContact O-N 3.27Å
138L71.3Confident63.2Low109 Ų10972.5 Ų72.557%0.57140%0.399SS*.Hα-helixtrans-63-38.1178.3-75.4166.3000112.5A134 V135 L142A134-L138 WeakPolarHBondContact O-CB 3.26Å; A134-L138 WeakPolarHBondContact O-CG 3.45Å; A134-L138 PolarHBondContact O-N 2.77Å; V135-L138 PolarHBondContact O-N 3.17Å; L138-L142 WeakPolarHBondContact O-CB 3.12Å; L138-L142 PolarHBondContact O-N 2.97Å
139V73.1Confident63.7Low16 Ų1674.3 Ų74.310%0.09741%0.406CS..Hα-helixtrans-64.3-45176.1166.40000110.5V114 A119 I122 V135 Q136 H137 Q143V114-V139 HydrophobicContact CG1-CG1 3.88Å; A119-V139 HydrophobicContact CB-CG1 3.87Å; I122-V139 HydrophobicContact CD1-CG2 4.01Å; V135-V139 HydrophobicContact CG1-CG2 4.26Å; V135-V139 WeakPolarHBondContact O-CB 3.33Å; V135-V139 VanDerWaalsContact O-CG2 3.25Å; V135-V139 WeakPolarHBondContact O-CG2 3.41Å; V135-V139 PolarHBondContact O-N 3.18Å; Q136-V139 PolarHBondContact O-N 3.05Å; H137-V139 VanDerWaalsContact C-N 3.34Å; H137-V139 PolarHBondContact O-N 3.01Å; V139-Q143 WeakPolarHBondContact O-CB 3.41Å; V139-Q143 VanDerWaalsContact O-CG 3.28Å; V139-Q143 WeakPolarHBondContact O-CG 3.38Å; V139-Q143 PolarHBondContact O-N 2.8Å
140N67Low63.9Low70 Ų7071.8 Ų71.837%0.37439%0.389SS..Hα-helixtrans-66-44.4177.2-72.4-17.3000111.3Q136 H137 Q143 T144Q136-N140 PolarHBondContact O-N 3.42Å; Q136-N140 PolarHBondContact O-ND2 3.35Å; H137-N140 PolarHBondContact O-N 3.26Å; N140-Q143 PolarHBondContact O-N 3.21Å; N140-T144 WeakPolarHBondContact O-CB 3.11Å; N140-T144 PolarHBondContact O-N 3.23Å; N140-T144 PolarHBondContact O-OG1 3.42Å
141E71.1Confident63.7Low113 Ų11365.9 Ų65.953%0.52837%0.368SS..Hα-helixtrans-61.2-46.2176.9-169.2175-168.300111H137 Q143 T144 D145H137-E141 WeakPolarHBondContact O-CB 3.47Å; H137-E141 PolarHBondContact O-N 3.27Å; E141-Q143 PolarHBondContact O-N 3.46Å; E141-T144 CarbonylContact O-C 3.55Å; E141-T144 WeakPolarHBondContact O-CB 3.34Å; E141-T144 PolarHBondContact O-N 3.13Å; E141-T144 VanDerWaalsContact O-N 3.12Å; E141-D145 WeakPolarHBondContact O-CB 3.23Å; E141-D145 PolarHBondContact O-N 3.15Å
142L71.2Confident63.3Low75 Ų7567.9 Ų67.939%0.39338%0.377SS..Hα-helixtrans-61.7-43.1176-175.172.5000112V114 L138 T144 D145 L146V114-L142 HydrophobicContact CG2-CD2 3.99Å; L138-L142 WeakPolarHBondContact O-CB 3.12Å; L138-L142 PolarHBondContact O-N 2.97Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 PolarHBondContact O-N 3.1Å; L142-D145 PolarHBondContact O-N 3.4Å; L142-L146 HydrophobicContact CD1-CD1 4.12Å; L142-L146 HydrophobicContact CD1-CG 4.22Å; L142-L146 HydrophobicContact CD2-CD1 4.33Å; L142-L146 HydrophobicContact CG-CD1 3.79Å; L142-L146 HydrophobicContact CG-CG 4.26Å; L142-L146 WeakPolarHBondContact O-CB 3.24Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.23Å
143Q70.5Confident62.3Low36 Ų3669.6 Ų69.617%0.16839%0.393CS..Hα-helixtrans-59.6-45173.2-78.6176.1-12.400110.8L111 V114 E115 A119 V139 N140 E141 T147L111-Q143 HydrophobicContact CD1-CB 4.38Å; L111-Q143 HydrophobicContact CD1-CG 4.36Å; V114-Q143 HydrophobicContact CB-CG 4.45Å; V114-Q143 HydrophobicContact CG1-CG 3.58Å; E115-Q143 HydrophobicContact CG-CG 4.34Å; A119-Q143 VanDerWaalsContact CB-NE2 3.32Å; V139-Q143 WeakPolarHBondContact O-CB 3.41Å; V139-Q143 VanDerWaalsContact O-CG 3.28Å; V139-Q143 WeakPolarHBondContact O-CG 3.38Å; V139-Q143 PolarHBondContact O-N 2.8Å; N140-Q143 PolarHBondContact O-N 3.21Å; E141-Q143 PolarHBondContact O-N 3.46Å; Q143-T147 VanDerWaalsContact O-CB 3.23Å; Q143-T147 WeakPolarHBondContact O-CB 3.34Å; Q143-T147 PolarHBondContact O-N 3.06Å; Q143-T147 PolarHBondContact O-OG1 3.36Å
144T61.7Low61.1Low73 Ų7372.2 Ų72.245%0.44840%0.399SS..Hα-helixtrans-63.6-46.9-179-44.90000110.5N140 E141 L142 T147 K148N140-T144 WeakPolarHBondContact O-CB 3.11Å; N140-T144 PolarHBondContact O-N 3.23Å; N140-T144 PolarHBondContact O-OG1 3.42Å; E141-T144 CarbonylContact O-C 3.55Å; E141-T144 WeakPolarHBondContact O-CB 3.34Å; E141-T144 PolarHBondContact O-N 3.13Å; E141-T144 VanDerWaalsContact O-N 3.12Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 PolarHBondContact O-N 3.1Å; T144-T147 PolarHBondContact O-N 3.3Å; T144-K148 WeakPolarHBondContact O-CG 3.41Å; T144-K148 PolarHBondContact O-N 3.01Å
145D63.4Low59.4Low63 Ų6381.5 Ų81.534%0.33742%0.423SS..Hα-helixtrans-74-38-177.4-73.8-12.4000112.8E141 L142 T147 K148 V149E141-D145 WeakPolarHBondContact O-CB 3.23Å; E141-D145 PolarHBondContact O-N 3.15Å; L142-D145 PolarHBondContact O-N 3.4Å; D145-T147 VanDerWaalsContact C-N 3.28Å; D145-T147 PolarHBondContact O-N 3.05Å; D145-K148 WeakPolarHBondContact O-CB 3.34Å; D145-K148 PolarHBondContact O-N 3.36Å; D145-K148 IonicContact OD1-NZ 3.02Å; D145-K148 PolarHBondContact OD1-NZ 3.44Å; D145-V149 VanDerWaalsContact O-CG2 3.29Å; D145-V149 WeakPolarHBondContact O-CG2 3.49Å; D145-V149 PolarHBondContact O-N 3.14Å
146L65.6Low57.9Low20 Ų2084.4 Ų84.411%0.10543%0.428CS..Hα-helixtrans-62.9-39.5171-74172.2000110.9A107 L110 L111 L142 V149 L150A107-L146 HydrophobicContact CB-CD2 4.27Å; L110-L146 HydrophobicContact CB-CD1 4.3Å; L110-L146 HydrophobicContact CD2-CD1 3.74Å; L110-L146 HydrophobicContact CD2-CD2 4.07Å; L110-L146 HydrophobicContact CG-CD1 3.76Å; L111-L146 HydrophobicContact CB-CB 4.31Å; L111-L146 HydrophobicContact CB-CD1 4.43Å; L111-L146 HydrophobicContact CD1-CB 4.1Å; L142-L146 HydrophobicContact CD1-CD1 4.12Å; L142-L146 HydrophobicContact CD1-CG 4.22Å; L142-L146 HydrophobicContact CD2-CD1 4.33Å; L142-L146 HydrophobicContact CG-CD1 3.79Å; L142-L146 HydrophobicContact CG-CG 4.26Å; L142-L146 WeakPolarHBondContact O-CB 3.24Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.23Å; L146-V149 PolarHBondContact O-N 2.97Å; L146-L150 WeakPolarHBondContact O-CB 3.44Å; L146-L150 VanDerWaalsContact O-CG 3.23Å; L146-L150 WeakPolarHBondContact O-CG 3.46Å; L146-L150 PolarHBondContact O-N 3.44Å
147T62.4Low56.4Low64 Ų6487.9 Ų87.939%0.39345%0.454SS..Hα-helixtrans-64.3-40.8174.2-55.40000111.1Q143 T144 D145 L150 S151Q143-T147 VanDerWaalsContact O-CB 3.23Å; Q143-T147 WeakPolarHBondContact O-CB 3.34Å; Q143-T147 PolarHBondContact O-N 3.06Å; Q143-T147 PolarHBondContact O-OG1 3.36Å; T144-T147 PolarHBondContact O-N 3.3Å; D145-T147 VanDerWaalsContact C-N 3.28Å; D145-T147 PolarHBondContact O-N 3.05Å; T147-L150 PolarHBondContact O-N 3.38Å; T147-S151 WeakPolarHBondContact O-CB 3.29Å; T147-S151 PolarHBondContact O-N 2.96Å; T147-S151 PolarHBondContact O-OG 3.2Å
148K54.8Low55.2Low112 Ų11291 Ų9149%0.48747%0.468SS..Hα-helixtrans-61.8-43.6172.5-72.5173.5-165.7155.80112.5T144 D145 S151 C152T144-K148 WeakPolarHBondContact O-CG 3.41Å; T144-K148 PolarHBondContact O-N 3.01Å; D145-K148 WeakPolarHBondContact O-CB 3.34Å; D145-K148 PolarHBondContact O-N 3.36Å; D145-K148 IonicContact OD1-NZ 3.02Å; D145-K148 PolarHBondContact OD1-NZ 3.44Å; K148-S151 WeakPolarHBondContact CA-OG 3.41Å; K148-S151 PolarHBondContact O-N 3.3Å; K148-S151 PolarHBondContact O-OG 3.26Å; K148-C152 WeakPolarHBondContact O-CB 3.39Å; K148-C152 PolarHBondContact O-N 2.99Å; K148-C152 PolarHBondContact O-SG 3.46Å
149V56Low53.5Low82 Ų8293.2 Ų93.250%0.49748%0.481SS..Hα-helixtrans-65.7-43.1179.71690000110.4D145 L146 S151 C152 S153D145-V149 VanDerWaalsContact O-CG2 3.29Å; D145-V149 WeakPolarHBondContact O-CG2 3.49Å; D145-V149 PolarHBondContact O-N 3.14Å; L146-V149 PolarHBondContact O-N 2.97Å; V149-S151 VanDerWaalsContact C-N 3.35Å; V149-C152 PolarHBondContact O-N 3.33Å; V149-S153 VanDerWaalsContact O-CB 3.3Å; V149-S153 WeakPolarHBondContact O-CB 3.41Å; V149-S153 PolarHBondContact O-N 3.3Å
150L58.6Low51.8Low28 Ų2896.3 Ų96.315%0.14752%0.516CS..Hα-helixtrans-69.8-31.9178.2-70170.3000112.6A107 E108 L111 L146 T147A107-L150 HydrophobicContact CB-CD2 3.79Å; A107-L150 HydrophobicContact CB-CG 4.2Å; E108-L150 HydrophobicContact CB-CD1 4.5Å; E108-L150 HydrophobicContact CB-CD2 4.41Å; E108-L150 HydrophobicContact CG-CD1 3.93Å; E108-L150 HydrophobicContact CG-CD2 3.36Å; E108-L150 HydrophobicContact CG-CG 4.27Å; L111-L150 HydrophobicContact CB-CD1 4.07Å; L111-L150 HydrophobicContact CD2-CD1 3.62Å; L111-L150 HydrophobicContact CG-CD1 4.49Å; L146-L150 WeakPolarHBondContact O-CB 3.44Å; L146-L150 VanDerWaalsContact O-CG 3.23Å; L146-L150 WeakPolarHBondContact O-CG 3.46Å; L146-L150 PolarHBondContact O-N 3.44Å; T147-L150 PolarHBondContact O-N 3.38Å
151S50.8Low50.4Low62 Ų6295.9 Ų95.943%0.43452%0.523SS..Hα-helixtrans-74.2-33.6173.368.60000112.8T147 K148 V149T147-S151 WeakPolarHBondContact O-CB 3.29Å; T147-S151 PolarHBondContact O-N 2.96Å; T147-S151 PolarHBondContact O-OG 3.2Å; K148-S151 WeakPolarHBondContact CA-OG 3.41Å; K148-S151 PolarHBondContact O-N 3.3Å; K148-S151 PolarHBondContact O-OG 3.26Å; V149-S151 VanDerWaalsContact C-N 3.35Å
152C42.9Very low49.1Very low104 Ų10498 Ų9870%0.70353%0.532SS*.Hα-helixtrans-77.8-32.9175.4-67.80000113.6K148 V149 K154K148-C152 WeakPolarHBondContact O-CB 3.39Å; K148-C152 PolarHBondContact O-N 2.99Å; K148-C152 PolarHBondContact O-SG 3.46Å; V149-C152 PolarHBondContact O-N 3.33Å; C152-K154 VanDerWaalsContact C-N 3.29Å; C152-K154 PolarHBondContact O-N 2.97Å
153S40.9Very low47.6Very low83 Ų83102.4 Ų102.458%0.5855%0.551SS**Hα-helixtrans-72.6-19.1-175.8-169.70000113.6V149 R155V149-S153 VanDerWaalsContact O-CB 3.3Å; V149-S153 WeakPolarHBondContact O-CB 3.41Å; V149-S153 PolarHBondContact O-N 3.3Å; S153-R155 PolarHBondContact O-N 2.68Å
154K36.1Very low46.1Very low120 Ų120107.9 Ų107.952%0.52258%0.576SS.*SBendtrans-72.396.1169.6-71.1-175.4-179.4179.60107.7C152 W156C152-K154 VanDerWaalsContact C-N 3.29Å; C152-K154 PolarHBondContact O-N 2.97Å; K154-W156 VanDerWaalsContact C-N 3.31Å; K154-W156 PolarHBondContact O-N 3.44Å; K154-W156 PolarHBondContact O-NE1 2.95Å
155R31.1Very low45.1Very low245 Ų245108.4 Ų108.493%0.92557%0.57SS**  trans-6397.9166.8-139.7174.7-171.4166.11.6106.5S153S153-R155 PolarHBondContact O-N 2.68Å
156W35.1Very low44.2Very low123 Ų123109.8 Ų109.847%0.46658%0.577SS.*  trans-61.1125.1-175.7-61.875.2000108.3K154 E158 R165 Y168K154-W156 VanDerWaalsContact C-N 3.31Å; K154-W156 PolarHBondContact O-N 3.44Å; K154-W156 PolarHBondContact O-NE1 2.95Å; W156-E158 PolarHBondContact O-N 2.84Å; W156-R165 HydrophobicContact CE3-CG 4.36Å; W156-R165 HydrophobicContact CH2-CG 4.43Å; W156-R165 HydrophobicContact CZ3-CG 3.77Å; W156-Y168 HydrophobicContact CH2-CE2 4.36Å
157P34Very low43.1Very low114 Ų114117.4 Ų117.474%0.7461%0.609SS**  trans-59.9129.1175.9-14.426.9000108.3D159P157-D159 PolarHBondContact O-N 2.65Å
158E41.4Very low42.1Very low198 Ų198121.1 Ų121.193%0.92562%0.617SS**SBendtrans-66.4-6.6-173.5-78.3-176.6157.400114.1W156W156-E158 PolarHBondContact O-N 2.84Å
159D36.5Very low41.7Very low157 Ų157120.8 Ų120.884%0.8462%0.62SS**SBendtrans-106.696.2-178.9-76.2-33.1000113P157P157-D159 PolarHBondContact O-N 2.65Å
160G36.3Very low41.6Very low81 Ų81118.4 Ų118.484%0.83560%0.604SS**SBendtrans72.476.814000000119.3
161A39Very low41.7Very low61 Ų61125.1 Ų125.150%0.50463%0.628SS.*  trans-160.268.8155.600000113.2H163A161-H163 PolarHBondContact O-N 3.42Å
162E42.4Very low42.9Very low156 Ų156123.3 Ų123.373%0.72962%0.616SS**Hα-helixtrans-64.2-25175-72.7-173.5151.600113.5E164 R165E162-E164 PolarHBondContact O-N 2.93Å; E162-R165 PolarHBondContact O-N 3.34Å
163H39.7Very low44.7Very low169 Ų169118.6 Ų118.678%0.78258%0.583SS**Hα-helixtrans-72.6-24.2-178.5-78.5-54.9000114.7A161A161-H163 PolarHBondContact O-N 3.42Å
164E40.3Very low46.5Very low151 Ų151116.3 Ų116.371%0.70657%0.566SS**Hα-helixtrans-84.5-22.3174.4-74.4-169.7158.100112.8E162 L166 K167E162-E164 PolarHBondContact O-N 2.93Å; E164-L166 PolarHBondContact O-N 2.84Å; E164-K167 PolarHBondContact O-N 3.49Å
165R41.1Very low48.3Very low83 Ų83113.8 Ų113.831%0.31356%0.558SS.*Hα-helixtrans-61.4-28.7171.3-69.9-177.2177.2-175.2-0.8112.3W156 E162 K167 D186W156-R165 HydrophobicContact CE3-CG 4.36Å; W156-R165 HydrophobicContact CH2-CG 4.43Å; W156-R165 HydrophobicContact CZ3-CG 3.77Å; E162-R165 PolarHBondContact O-N 3.34Å; R165-K167 VanDerWaalsContact C-N 3.32Å; R165-K167 PolarHBondContact O-N 3.35Å; R165-D186 IonicContact NH1-OD2 3.72Å
166L44Very low50.6Low93 Ų93102.1 Ų102.149%0.48751%0.514SS..THydrogen-bonded Turntrans-77.1-7.3-174-70.6166.2000115.2E164E164-L166 PolarHBondContact O-N 2.84Å
167K41.5Very low52.9Low179 Ų17997.1 Ų97.178%0.77850%0.497SS*.THydrogen-bonded Turntrans-100.80.1-171.5-128.6-177.6-173.6-179.60115.2E164 R165 D169E164-K167 PolarHBondContact O-N 3.49Å; R165-K167 VanDerWaalsContact C-N 3.32Å; R165-K167 PolarHBondContact O-N 3.35Å; K167-D169 PolarHBondContact O-N 2.8Å
168Y41.7Very low54.8Low142 Ų14295 Ų9556%0.55748%0.483SS*.SBendtrans-79.6103.9175-69.9-81.8000109W156 F170W156-Y168 HydrophobicContact CH2-CE2 4.36Å; Y168-F170 WeakPolarHBondContact O-CD2 3.37Å; Y168-F170 VanDerWaalsContact O-CE2 3.31Å; Y168-F170 WeakPolarHBondContact O-CE2 3.24Å; Y168-F170 PolarHBondContact O-N 3.3Å
169D46Very low56.5Low105 Ų10587.9 Ų87.956%0.56145%0.447SS*.  trans-54.9111.5-176.3-72-32.2000112K167 Y171K167-D169 PolarHBondContact O-N 2.8Å; D169-Y171 HydrophobicContact CB-CD1 4.47Å; D169-Y171 HydrophobicContact CB-CE1 3.69Å; D169-Y171 HydrophobicContact CB-CE2 4.5Å; D169-Y171 WeakPolarHBondContact O-CD2 3.45Å; D169-Y171 WeakPolarHBondContact O-CE2 3.23Å
170F53.6Low58.6Low32 Ų3281.1 Ų81.114%0.1441%0.41CS..  trans-79.6121.9170.8-59.5-82.8000109.6Y168 N175 E176 Y179 N247Y168-F170 WeakPolarHBondContact O-CD2 3.37Å; Y168-F170 VanDerWaalsContact O-CE2 3.31Å; Y168-F170 WeakPolarHBondContact O-CE2 3.24Å; Y168-F170 PolarHBondContact O-N 3.3Å; F170-N175 HydrophobicContact CB-CB 4.49Å; F170-N175 HydrophobicContact CD1-CB 4.11Å; F170-E176 WeakPolarHBondContact CD2-OE2 3.33Å; F170-E176 WeakPolarHBondContact CG-OE2 3.29Å; F170-Y179 AromaticContact CE1-CD2 3.7Å; F170-Y179 HydrophobicContact CE1-CD2 3.7Å; F170-Y179 AromaticContact CE1-CG 3.88Å; F170-Y179 HydrophobicContact CE1-CG 3.88Å; F170-Y179 AromaticContact CZ-CD2 3.36Å; F170-Y179 HydrophobicContact CZ-CD2 3.36Å; F170-Y179 AromaticContact CZ-CE2 3.83Å; F170-Y179 HydrophobicContact CZ-CE2 3.83Å; F170-Y179 AromaticContact CZ-CG 3.76Å; F170-Y179 HydrophobicContact CZ-CG 3.76Å; F170-N247 PolarHBondContact O-ND2 3.27Å
171Y62.3Low60.5Low169 Ų16979.9 Ų79.966%0.66339%0.389SS*.  trans-95-6.2-176.9-51.7-69.9000114.5D169D169-Y171 HydrophobicContact CB-CD1 4.47Å; D169-Y171 HydrophobicContact CB-CE1 3.69Å; D169-Y171 HydrophobicContact CB-CE2 4.5Å; D169-Y171 WeakPolarHBondContact O-CD2 3.45Å; D169-Y171 WeakPolarHBondContact O-CE2 3.23Å
172S74.4Confident62Low25 Ų2580.9 Ų80.918%0.17539%0.392CS..SBendtrans-149.9159.4-179.274.50000112.2T174 N175 E176S172-T174 VanDerWaalsContact C-N 3.3Å; S172-N175 WeakPolarHBondContact O-CB 3.38Å; S172-N175 PolarHBondContact O-N 2.85Å; S172-N175 WeakPolarHBondContact OG-CB 3.38Å; S172-N175 PolarHBondContact OG-N 2.65Å; S172-N175 PolarHBondContact OG-OD1 3.1Å; S172-N175 VanDerWaalsContact OG-OD1 3.05Å; S172-E176 PolarHBondContact O-N 3.19Å
173L80.8Confident63.4Low4 Ų475.2 Ų75.22%0.02137%0.366CS..Hα-helixtrans-64.4-35.7173.2-69.4171.3000111.7N175 E176 V177 V202 A203 F206 F228 L248 V251 V252L173-N175 VanDerWaalsContact C-N 3.3Å; L173-N175 PolarHBondContact O-N 3.08Å; L173-E176 WeakPolarHBondContact O-CB 3.43Å; L173-E176 PolarHBondContact O-N 3.06Å; L173-E176 VanDerWaalsContact O-N 3.13Å; L173-V177 WeakPolarHBondContact O-CG2 3.25Å; L173-V177 PolarHBondContact O-N 2.86Å; L173-V202 HydrophobicContact CD1-CG1 4.1Å; L173-A203 HydrophobicContact CB-CB 3.89Å; L173-F206 HydrophobicContact CD1-CB 4.25Å; L173-F206 HydrophobicContact CD1-CD1 3.95Å; L173-F206 HydrophobicContact CD1-CD2 3.36Å; L173-F206 HydrophobicContact CD1-CE1 4.06Å; L173-F206 HydrophobicContact CD1-CE2 3.46Å; L173-F206 VanDerWaalsContact CD1-CE2 3.46Å; L173-F206 HydrophobicContact CD1-CG 3.6Å; L173-F206 HydrophobicContact CD1-CZ 3.82Å; L173-F228 HydrophobicContact CD2-CE1 4.3Å; L173-F228 HydrophobicContact CD2-CZ 4.19Å; L173-L248 HydrophobicContact CD2-CD2 3.76Å; L173-V251 HydrophobicContact CG-CG1 4.49Å; L173-V252 HydrophobicContact CD1-CG2 4.29Å
174T79.2Confident64.4Low35 Ų3570.9 Ų70.922%0.21535%0.345CS..Hα-helixtrans-62.4-37.6174.3-44.70000111.6S172 E176 V177 T178 E207S172-T174 VanDerWaalsContact C-N 3.3Å; T174-E176 VanDerWaalsContact C-N 3.27Å; T174-E176 PolarHBondContact O-N 3.3Å; T174-V177 PolarHBondContact O-N 3.4Å; T174-T178 HydrophobicContact CG2-CG2 4.44Å; T174-T178 WeakPolarHBondContact O-CB 3.4Å; T174-T178 WeakPolarHBondContact O-CG2 3.09Å; T174-T178 PolarHBondContact O-N 2.95Å; T174-T178 PolarHBondContact O-OG1 2.96Å; T174-E207 VanDerWaalsContact CG2-OE1 3.22Å; T174-E207 WeakPolarHBondContact CG2-OE1 3.42Å; T174-E207 PolarHBondContact OG1-OE1 3.33Å
175N74Confident65.3Low68 Ų6871.3 Ų71.336%0.36435%0.352SS..Hα-helixtrans-65.1-35175.8-69.44.6000111.3F170 S172 L173 T178 Y179F170-N175 HydrophobicContact CB-CB 4.49Å; F170-N175 HydrophobicContact CD1-CB 4.11Å; S172-N175 WeakPolarHBondContact O-CB 3.38Å; S172-N175 PolarHBondContact O-N 2.85Å; S172-N175 WeakPolarHBondContact OG-CB 3.38Å; S172-N175 PolarHBondContact OG-N 2.65Å; S172-N175 PolarHBondContact OG-OD1 3.1Å; S172-N175 VanDerWaalsContact OG-OD1 3.05Å; L173-N175 VanDerWaalsContact C-N 3.3Å; L173-N175 PolarHBondContact O-N 3.08Å; N175-T178 VanDerWaalsContact CA-OG1 3.23Å; N175-T178 WeakPolarHBondContact CA-OG1 3.34Å; N175-T178 PolarHBondContact O-OG1 3.18Å; N175-Y179 WeakPolarHBondContact O-CB 3.46Å; N175-Y179 PolarHBondContact O-N 3.26Å
176E80.3Confident66Low0 Ų071.2 Ų71.20%036%0.358CS..Hα-helixtrans-68.9-44.1174.6-170.767.8-16700111.4F170 S172 L173 T174 Y179 W180 L199 Y240 R244 L248F170-E176 WeakPolarHBondContact CD2-OE2 3.33Å; F170-E176 WeakPolarHBondContact CG-OE2 3.29Å; S172-E176 PolarHBondContact O-N 3.19Å; L173-E176 WeakPolarHBondContact O-CB 3.43Å; L173-E176 PolarHBondContact O-N 3.06Å; L173-E176 VanDerWaalsContact O-N 3.13Å; T174-E176 VanDerWaalsContact C-N 3.27Å; T174-E176 PolarHBondContact O-N 3.3Å; E176-Y179 WeakPolarHBondContact O-CB 3.44Å; E176-Y179 PolarHBondContact O-N 3.17Å; E176-W180 PolarHBondContact O-N 2.71Å; E176-W180 VanDerWaalsContact O-N 3.07Å; E176-W180 PolarHBondContact OE1-NE1 2.59Å; E176-L199 HydrophobicContact CG-CD1 3.78Å; E176-Y240 PolarHBondContact OE1-OH 3.34Å; E176-R244 VanDerWaalsContact CD-NH2 3.34Å; E176-R244 VanDerWaalsContact OE1-CD 3.28Å; E176-R244 WeakPolarHBondContact OE1-CD 3.35Å; E176-R244 IonicContact OE1-CZ 3.53Å; E176-R244 IonicContact OE1-NE 3.07Å; E176-R244 PolarHBondContact OE1-NE 2.95Å; E176-R244 IonicContact OE1-NH1 2.71Å; E176-R244 IonicContact OE1-NH2 3.45Å; E176-R244 PolarHBondContact OE1-NH2 3.37Å; E176-R244 VanDerWaalsContact OE1-NH2 3.1Å; E176-R244 IonicContact OE2-CZ 3.53Å; E176-R244 IonicContact OE2-NE 3.96Å; E176-R244 PolarHBondContact OE2-NE 3.47Å; E176-R244 IonicContact OE2-NH2 2.74Å; E176-R244 PolarHBondContact OE2-NH2 3.02Å; E176-L248 HydrophobicContact CB-CD2 4.13Å; E176-L248 HydrophobicContact CG-CD2 3.89Å
177V82.4Confident66.8Low17 Ų1771.7 Ų71.710%0.10338%0.375CS..Hα-helixtrans-61.9-45.5175.8173.10000111.3L173 T174 Y179 W180 S181 L199 K200 A203L173-V177 WeakPolarHBondContact O-CG2 3.25Å; L173-V177 PolarHBondContact O-N 2.86Å; T174-V177 PolarHBondContact O-N 3.4Å; V177-Y179 VanDerWaalsContact C-N 3.35Å; V177-Y179 PolarHBondContact O-N 3.46Å; V177-W180 PolarHBondContact O-N 3.2Å; V177-S181 WeakPolarHBondContact O-CB 3.47Å; V177-S181 PolarHBondContact O-N 3.48Å; V177-L199 HydrophobicContact CG2-CB 3.61Å; V177-K200 HydrophobicContact CG1-CB 4.47Å; V177-A203 HydrophobicContact CG2-CB 3.61Å
178T74.8Confident68.3Low71 Ų7167.7 Ų67.744%0.43636%0.363SS..Hα-helixtrans-64.6-39.2178.747.80000111.7T174 N175 S181 S182T174-T178 HydrophobicContact CG2-CG2 4.44Å; T174-T178 WeakPolarHBondContact O-CB 3.4Å; T174-T178 WeakPolarHBondContact O-CG2 3.09Å; T174-T178 PolarHBondContact O-N 2.95Å; T174-T178 PolarHBondContact O-OG1 2.96Å; N175-T178 VanDerWaalsContact CA-OG1 3.23Å; N175-T178 WeakPolarHBondContact CA-OG1 3.34Å; N175-T178 PolarHBondContact O-OG1 3.18Å; T178-S181 WeakPolarHBondContact CA-OG 3.32Å; T178-S181 PolarHBondContact O-N 3.26Å; T178-S181 PolarHBondContact O-OG 3.29Å; T178-S182 WeakPolarHBondContact O-CB 3.41Å; T178-S182 PolarHBondContact O-N 2.93Å
179Y76.4Confident70Confident47 Ų4763.8 Ų63.818%0.18436%0.355CS..Hα-helixtrans-55.9-53.7171.1173.4-85000111.6F170 N175 E176 V177 S181 S182 I183 R244F170-Y179 AromaticContact CE1-CD2 3.7Å; F170-Y179 HydrophobicContact CE1-CD2 3.7Å; F170-Y179 AromaticContact CE1-CG 3.88Å; F170-Y179 HydrophobicContact CE1-CG 3.88Å; F170-Y179 AromaticContact CZ-CD2 3.36Å; F170-Y179 HydrophobicContact CZ-CD2 3.36Å; F170-Y179 AromaticContact CZ-CE2 3.83Å; F170-Y179 HydrophobicContact CZ-CE2 3.83Å; F170-Y179 AromaticContact CZ-CG 3.76Å; F170-Y179 HydrophobicContact CZ-CG 3.76Å; N175-Y179 WeakPolarHBondContact O-CB 3.46Å; N175-Y179 PolarHBondContact O-N 3.26Å; E176-Y179 WeakPolarHBondContact O-CB 3.44Å; E176-Y179 PolarHBondContact O-N 3.17Å; V177-Y179 VanDerWaalsContact C-N 3.35Å; V177-Y179 PolarHBondContact O-N 3.46Å; Y179-S181 PolarHBondContact O-N 3.46Å; Y179-S182 PolarHBondContact O-N 2.91Å; Y179-S182 PolarHBondContact O-OG 2.84Å; Y179-I183 HydrophobicContact CD1-CD1 4.09Å; Y179-I183 HydrophobicContact CD2-CD1 4.18Å; Y179-I183 HydrophobicContact CE1-CD1 3.38Å; Y179-I183 HydrophobicContact CE1-CG1 4.35Å; Y179-I183 HydrophobicContact CE2-CD1 3.54Å; Y179-I183 HydrophobicContact CG-CD1 4.46Å; Y179-I183 PolarHBondContact O-N 2.82Å; Y179-I183 VanDerWaalsContact OH-CD1 3.24Å; Y179-I183 WeakPolarHBondContact OH-CD1 3.4Å; Y179-R244 VanDerWaalsContact CE1-CZ 3.44Å
180W81.1Confident71.7Confident15 Ų1563.6 Ų63.66%0.05735%0.353CS..Hα-helixtrans-64.7-31.5-178.4-70.5115.8000111.7E176 V177 S192 F195 C196 Y240 R244E176-W180 PolarHBondContact O-N 2.71Å; E176-W180 VanDerWaalsContact O-N 3.07Å; E176-W180 PolarHBondContact OE1-NE1 2.59Å; V177-W180 PolarHBondContact O-N 3.2Å; W180-S192 WeakPolarHBondContact O-CB 3.46Å; W180-F195 HydrophobicContact CD2-CB 4.11Å; W180-F195 AromaticContact CD2-CD2 3.92Å; W180-F195 HydrophobicContact CD2-CD2 3.92Å; W180-F195 AromaticContact CE2-CD2 3.72Å; W180-F195 AromaticContact CE3-CD2 3.96Å; W180-F195 HydrophobicContact CE3-CD2 3.96Å; W180-F195 HydrophobicContact CG-CB 4.07Å; W180-F195 AromaticContact CH2-CD2 3.61Å; W180-F195 HydrophobicContact CH2-CD2 3.61Å; W180-F195 AromaticContact CH2-CE2 3.79Å; W180-F195 HydrophobicContact CH2-CE2 3.79Å; W180-F195 AromaticContact CZ2-CD2 3.54Å; W180-F195 HydrophobicContact CZ2-CD2 3.54Å; W180-F195 AromaticContact CZ2-CE2 3.98Å; W180-F195 HydrophobicContact CZ2-CE2 3.98Å; W180-F195 AromaticContact CZ3-CD2 3.83Å; W180-F195 HydrophobicContact CZ3-CD2 3.83Å; W180-F195 HydrophobicContact CZ3-CE2 4.23Å; W180-C196 HydrophobicContact CB-CB 4.2Å; W180-Y240 AromaticContact CZ2-CE2 3.99Å; W180-Y240 HydrophobicContact CZ2-CE2 3.99Å; W180-Y240 AromaticContact NE1-CE2 3.97Å; W180-R244 VanDerWaalsContact CE2-NH1 3.32Å
181S76.1Confident73.1Confident56 Ų5663.8 Ų63.839%0.39235%0.353SS..Hα-helixtrans-68.6-33.5172.679.80000113.4V177 T178 Y179 K184V177-S181 WeakPolarHBondContact O-CB 3.47Å; V177-S181 PolarHBondContact O-N 3.48Å; T178-S181 WeakPolarHBondContact CA-OG 3.32Å; T178-S181 PolarHBondContact O-N 3.26Å; T178-S181 PolarHBondContact O-OG 3.29Å; Y179-S181 PolarHBondContact O-N 3.46Å; S181-K184 WeakPolarHBondContact O-CB 3.33Å; S181-K184 PolarHBondContact O-N 3.32Å
182S71.2Confident74.1Confident81 Ų8155.9 Ų55.957%0.56632%0.323SS*.Hα-helixtrans-73.8-28.9-179.371.90000112.8T178 Y179 K184T178-S182 WeakPolarHBondContact O-CB 3.41Å; T178-S182 PolarHBondContact O-N 2.93Å; Y179-S182 PolarHBondContact O-N 2.91Å; Y179-S182 PolarHBondContact O-OG 2.84Å; S182-K184 VanDerWaalsContact C-N 3.28Å
183I71.5Confident74.6Confident37 Ų3759.2 Ų59.219%0.1934%0.335CS..G310 helixtrans-87.73.6179.1-61.1-170.8000111.5Y179 N185 D186Y179-I183 HydrophobicContact CD1-CD1 4.09Å; Y179-I183 HydrophobicContact CD2-CD1 4.18Å; Y179-I183 HydrophobicContact CE1-CD1 3.38Å; Y179-I183 HydrophobicContact CE1-CG1 4.35Å; Y179-I183 HydrophobicContact CE2-CD1 3.54Å; Y179-I183 HydrophobicContact CG-CD1 4.46Å; Y179-I183 PolarHBondContact O-N 2.82Å; Y179-I183 VanDerWaalsContact OH-CD1 3.24Å; Y179-I183 WeakPolarHBondContact OH-CD1 3.4Å; I183-N185 PolarHBondContact O-N 2.9Å; I183-D186 HydrophobicContact CG2-CB 3.71Å; I183-D186 WeakPolarHBondContact O-CB 3.33Å; I183-D186 PolarHBondContact O-N 3.29Å
184K60.6Low74.9Confident78 Ų7861.4 Ų61.434%0.33935%0.345SS..G310 helixtrans-53.7-24.8175.4-96.5-167.7168-160.60114.3S181 S182 P189 S192 E193S181-K184 WeakPolarHBondContact O-CB 3.33Å; S181-K184 PolarHBondContact O-N 3.32Å; S182-K184 VanDerWaalsContact C-N 3.28Å; K184-P189 WeakPolarHBondContact O-CB 3.35Å; K184-S192 WeakPolarHBondContact CA-OG 3.21Å; K184-S192 WeakPolarHBondContact CG-OG 3.43Å; K184-E193 VanDerWaalsContact NZ-CD 3.27Å; K184-E193 IonicContact NZ-OE1 3.21Å; K184-E193 PolarHBondContact NZ-OE1 3.45Å; K184-E193 IonicContact NZ-OE2 3.22Å
185N58.3Low75.4Confident160 Ų16059.8 Ų59.886%0.85634%0.335SS*.G310 helixtrans-90.4-4179.4-65.4-23.1000114.2I183I183-N185 PolarHBondContact O-N 2.9Å
186D56.9Low75.9Confident81 Ų8157.3 Ų57.343%0.43332%0.323SS..SBendtrans-81.7175.3172.7-86.3-12.2000111.2R165 I183 N188R165-D186 IonicContact NH1-OD2 3.72Å; I183-D186 HydrophobicContact CG2-CB 3.71Å; I183-D186 WeakPolarHBondContact O-CB 3.33Å; I183-D186 PolarHBondContact O-N 3.29Å; D186-N188 PolarHBondContact O-N 3.47Å
187A60.9Low76.2Confident103 Ų10360.3 Ų60.385%0.85135%0.348SS*.SBendtrans-54.6-7.5-166.300000118.1
188N72Confident76.6Confident96 Ų9660.2 Ų60.251%0.51335%0.347SS..  trans-139.271.6-178.1-106.3-31.8000112.3D186 D190 R191 S192D186-N188 PolarHBondContact O-N 3.47Å; N188-D190 PolarHBondContact O-N 3.22Å; N188-R191 HydrophobicContact CB-CB 4.13Å; N188-R191 PolarHBondContact O-N 2.91Å; N188-S192 PolarHBondContact O-N 3.49Å
189P77Confident77.4Confident60 Ų6056.9 Ų56.939%0.3933%0.327SS..Hα-helixtrans-58.9-44.2-17821.8-32.4000112.1K184 R191 S192 E193K184-P189 WeakPolarHBondContact O-CB 3.35Å; P189-R191 VanDerWaalsContact C-N 3.33Å; P189-R191 PolarHBondContact O-N 2.88Å; P189-S192 PolarHBondContact O-N 2.87Å; P189-S192 PolarHBondContact O-OG 3.48Å; P189-E193 WeakPolarHBondContact O-CB 3.44Å; P189-E193 PolarHBondContact O-N 3.46Å
190D82.2Confident78Confident100 Ų10059.7 Ų59.754%0.53534%0.34SS..Hα-helixtrans-63.1-37.5-176.1-60.2-21.6000112.7N188 E193 F194 F237N188-D190 PolarHBondContact O-N 3.22Å; D190-E193 PolarHBondContact O-N 3.49Å; D190-F194 WeakPolarHBondContact O-CB 3.25Å; D190-F194 PolarHBondContact O-N 3.38Å; D190-F237 HydrophobicContact CB-CE1 3.71Å; D190-F237 HydrophobicContact CB-CZ 4.1Å
191R83.7Confident78.2Confident36 Ų3662.3 Ų62.314%0.13636%0.36CS..Hα-helixtrans-63.1-49.6174.8176.8-172.2-177.3-168.48110.9N188 P189 E193 F194 F195 F237 E238 P239N188-R191 HydrophobicContact CB-CB 4.13Å; N188-R191 PolarHBondContact O-N 2.91Å; P189-R191 VanDerWaalsContact C-N 3.33Å; P189-R191 PolarHBondContact O-N 2.88Å; R191-E193 VanDerWaalsContact C-N 3.26Å; R191-E193 PolarHBondContact O-N 3.39Å; R191-F194 PolarHBondContact O-N 3.36Å; R191-F195 HydrophobicContact CG-CD2 4.12Å; R191-F195 HydrophobicContact CG-CE2 3.65Å; R191-F195 HydrophobicContact CG-CZ 3.96Å; R191-F195 PolarHBondContact O-N 2.87Å; R191-F195 VanDerWaalsContact O-N 3.09Å; R191-F237 HydrophobicContact CB-CB 3.92Å; R191-F237 HydrophobicContact CB-CD1 3.96Å; R191-F237 HydrophobicContact CB-CG 3.89Å; R191-F237 HydrophobicContact CG-CB 3.77Å; R191-F237 HydrophobicContact CG-CG 4.2Å; R191-E238 IonicContact CZ-OE2 2.79Å; R191-E238 PolarHBondContact NE-O 3.39Å; R191-E238 IonicContact NH1-OE2 3.16Å; R191-E238 PolarHBondContact NH1-OE2 3.38Å; R191-E238 IonicContact NH2-OE2 3.38Å; R191-E238 PolarHBondContact NH2-OE2 3.16Å; R191-P239 PolarHBondContact NH2-O 3.5Å
192S81.6Confident78.9Confident3 Ų359.9 Ų59.92%0.02134%0.343CS..Hα-helixtrans-64.1-36.3-179.572.70000111.2W180 K184 N188 P189 C196W180-S192 WeakPolarHBondContact O-CB 3.46Å; K184-S192 WeakPolarHBondContact CA-OG 3.21Å; K184-S192 WeakPolarHBondContact CG-OG 3.43Å; N188-S192 PolarHBondContact O-N 3.49Å; P189-S192 PolarHBondContact O-N 2.87Å; P189-S192 PolarHBondContact O-OG 3.48Å; S192-C196 WeakPolarHBondContact O-CB 3.42Å; S192-C196 PolarHBondContact O-N 3.16Å
193E84.9Confident79.7Confident95 Ų9556.2 Ų56.244%0.44432%0.318SS..Hα-helixtrans-66.9-43.1175.4-178.8148-129.400112.2K184 P189 D190 R191 C196 A197K184-E193 VanDerWaalsContact NZ-CD 3.27Å; K184-E193 IonicContact NZ-OE1 3.21Å; K184-E193 PolarHBondContact NZ-OE1 3.45Å; K184-E193 IonicContact NZ-OE2 3.22Å; P189-E193 WeakPolarHBondContact O-CB 3.44Å; P189-E193 PolarHBondContact O-N 3.46Å; D190-E193 PolarHBondContact O-N 3.49Å; R191-E193 VanDerWaalsContact C-N 3.26Å; R191-E193 PolarHBondContact O-N 3.39Å; E193-C196 PolarHBondContact O-N 3.12Å; E193-A197 VanDerWaalsContact O-CB 3.22Å; E193-A197 WeakPolarHBondContact O-CB 3.37Å; E193-A197 PolarHBondContact O-N 2.98Å
194F88.1Confident80.5Confident51 Ų5159.6 Ų59.622%0.22433%0.333CS..Hα-helixtrans-61.1-52.3175.9177.4-99.6000111.7D190 R191 C196 A197 T198 E230 Q234 F237D190-F194 WeakPolarHBondContact O-CB 3.25Å; D190-F194 PolarHBondContact O-N 3.38Å; R191-F194 PolarHBondContact O-N 3.36Å; F194-C196 VanDerWaalsContact C-N 3.3Å; F194-C196 PolarHBondContact O-N 2.99Å; F194-A197 PolarHBondContact O-N 3.46Å; F194-A197 VanDerWaalsContact O-N 3.14Å; F194-T198 PolarHBondContact O-N 2.95Å; F194-T198 PolarHBondContact O-OG1 2.83Å; F194-T198 VanDerWaalsContact O-OG1 3.08Å; F194-E230 HydrophobicContact CZ-CG 4.25Å; F194-Q234 HydrophobicContact CD1-CB 4.47Å; F194-Q234 HydrophobicContact CD1-CG 4.37Å; F194-Q234 HydrophobicContact CE1-CB 3.53Å; F194-Q234 HydrophobicContact CE1-CG 3.72Å; F194-Q234 HydrophobicContact CZ-CB 3.8Å; F194-Q234 HydrophobicContact CZ-CG 4.49Å; F194-F237 HydrophobicContact CB-CD2 4.01Å; F194-F237 HydrophobicContact CB-CE2 3.45Å; F194-F237 VanDerWaalsContact CB-CE2 3.45Å; F194-F237 HydrophobicContact CB-CZ 4.23Å; F194-F237 HydrophobicContact CD1-CD2 4.07Å; F194-F237 HydrophobicContact CD1-CE2 4.11Å; F194-F237 HydrophobicContact CD2-CE2 4.22Å; F194-F237 HydrophobicContact CG-CD2 4.09Å; F194-F237 AromaticContact CG-CE2 3.66Å; F194-F237 HydrophobicContact CG-CE2 3.66Å
195F88.9Confident81.8Confident0 Ų057.8 Ų57.80%033%0.325CS..Hα-helixtrans-61.3-40.4178.7-63.9-21.3000112.3W180 R191 L199 L231 Q234 Y240W180-F195 HydrophobicContact CD2-CB 4.11Å; W180-F195 AromaticContact CD2-CD2 3.92Å; W180-F195 HydrophobicContact CD2-CD2 3.92Å; W180-F195 AromaticContact CE2-CD2 3.72Å; W180-F195 AromaticContact CE3-CD2 3.96Å; W180-F195 HydrophobicContact CE3-CD2 3.96Å; W180-F195 HydrophobicContact CG-CB 4.07Å; W180-F195 AromaticContact CH2-CD2 3.61Å; W180-F195 HydrophobicContact CH2-CD2 3.61Å; W180-F195 AromaticContact CH2-CE2 3.79Å; W180-F195 HydrophobicContact CH2-CE2 3.79Å; W180-F195 AromaticContact CZ2-CD2 3.54Å; W180-F195 HydrophobicContact CZ2-CD2 3.54Å; W180-F195 AromaticContact CZ2-CE2 3.98Å; W180-F195 HydrophobicContact CZ2-CE2 3.98Å; W180-F195 AromaticContact CZ3-CD2 3.83Å; W180-F195 HydrophobicContact CZ3-CD2 3.83Å; W180-F195 HydrophobicContact CZ3-CE2 4.23Å; R191-F195 HydrophobicContact CG-CD2 4.12Å; R191-F195 HydrophobicContact CG-CE2 3.65Å; R191-F195 HydrophobicContact CG-CZ 3.96Å; R191-F195 PolarHBondContact O-N 2.87Å; R191-F195 VanDerWaalsContact O-N 3.09Å; F195-L199 WeakPolarHBondContact O-CB 3.1Å; F195-L199 PolarHBondContact O-N 2.96Å; F195-L231 HydrophobicContact CB-CD2 4.29Å; F195-L231 HydrophobicContact CD1-CD2 3.62Å; F195-L231 HydrophobicContact CE1-CD2 4.39Å; F195-L231 HydrophobicContact CG-CD2 4.27Å; F195-Q234 HydrophobicContact CE1-CG 4.17Å; F195-Y240 HydrophobicContact CD1-CD2 4.02Å; F195-Y240 HydrophobicContact CD2-CD2 4.03Å; F195-Y240 HydrophobicContact CD2-CE2 4.25Å; F195-Y240 AromaticContact CE1-CD2 3.96Å; F195-Y240 HydrophobicContact CE1-CD2 3.96Å; F195-Y240 AromaticContact CE2-CD2 3.93Å; F195-Y240 HydrophobicContact CE2-CD2 3.93Å; F195-Y240 HydrophobicContact CG-CD2 4.07Å; F195-Y240 HydrophobicContact CG-CE2 4.27Å; F195-Y240 AromaticContact CZ-CD2 3.92Å; F195-Y240 HydrophobicContact CZ-CD2 3.92Å
196C85.4Confident83.2Confident17 Ų1750.9 Ų50.912%0.11529%0.288CS..Hα-helixtrans-60.9-48.5173.9-174.60000110.9W180 S192 E193 F194 L199 K200W180-C196 HydrophobicContact CB-CB 4.2Å; S192-C196 WeakPolarHBondContact O-CB 3.42Å; S192-C196 PolarHBondContact O-N 3.16Å; E193-C196 PolarHBondContact O-N 3.12Å; F194-C196 VanDerWaalsContact C-N 3.3Å; F194-C196 PolarHBondContact O-N 2.99Å; C196-L199 PolarHBondContact O-N 3.36Å; C196-K200 WeakPolarHBondContact O-CB 3.42Å; C196-K200 PolarHBondContact O-N 3.4Å
197A87.4Confident84.4Confident63 Ų6353.1 Ų53.152%0.52130%0.296SS..Hα-helixtrans-64.6-44.4-176.600000112.6E193 F194 L199 K200E193-A197 VanDerWaalsContact O-CB 3.22Å; E193-A197 WeakPolarHBondContact O-CB 3.37Å; E193-A197 PolarHBondContact O-N 2.98Å; F194-A197 PolarHBondContact O-N 3.46Å; F194-A197 VanDerWaalsContact O-N 3.14Å; A197-L199 PolarHBondContact O-N 3.16Å; A197-K200 PolarHBondContact O-N 2.87Å
198T90.2Very high85.4Confident15 Ų1550.4 Ų50.49%0.09227%0.27CS..Hα-helixtrans-64-40.2179-53.10000111.8F194 A227 E230 L231F194-T198 PolarHBondContact O-N 2.95Å; F194-T198 PolarHBondContact O-OG1 2.83Å; F194-T198 VanDerWaalsContact O-OG1 3.08Å; T198-A227 HydrophobicContact CG2-CB 4.23Å; T198-E230 HydrophobicContact CG2-CB 4.03Å; T198-E230 HydrophobicContact CG2-CG 4.05Å; T198-L231 HydrophobicContact CG2-CD2 4.06Å; T198-L231 HydrophobicContact CG2-CG 3.91Å
199L91Very high86Confident1 Ų146 Ų461%0.00525%0.247CC..Hα-helixtrans-81.4-26.5179.7-72.8175.3000113.8E176 V177 F195 C196 A197 S201 V202 A203 F228 L231 L248E176-L199 HydrophobicContact CG-CD1 3.78Å; V177-L199 HydrophobicContact CG2-CB 3.61Å; F195-L199 WeakPolarHBondContact O-CB 3.1Å; F195-L199 PolarHBondContact O-N 2.96Å; C196-L199 PolarHBondContact O-N 3.36Å; A197-L199 PolarHBondContact O-N 3.16Å; L199-S201 PolarHBondContact O-N 2.76Å; L199-V202 PolarHBondContact O-N 3.36Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 2.92Å; L199-F228 HydrophobicContact CD2-CD1 4.3Å; L199-F228 HydrophobicContact CD2-CE1 3.95Å; L199-L231 HydrophobicContact CD1-CD1 4.04Å; L199-L231 HydrophobicContact CD2-CD1 3.55Å; L199-L231 HydrophobicContact CG-CD1 3.73Å; L199-L248 HydrophobicContact CD1-CD1 4.44Å; L199-L248 HydrophobicContact CD2-CD1 4.41Å
200K88.6Confident86.1Confident106 Ų10647.5 Ų47.546%0.46126%0.259SS..Hα-helixtrans-57.3-48.8-169.8-179.7171.2-179.7178.60113.2V177 C196 A197 V202 A203 E204V177-K200 HydrophobicContact CG1-CB 4.47Å; C196-K200 WeakPolarHBondContact O-CB 3.42Å; C196-K200 PolarHBondContact O-N 3.4Å; A197-K200 PolarHBondContact O-N 2.87Å; K200-V202 VanDerWaalsContact C-N 3.27Å; K200-V202 PolarHBondContact O-N 3.25Å; K200-A203 PolarHBondContact O-N 2.79Å; K200-E204 WeakPolarHBondContact CE-OE1 3.16Å; K200-E204 HydrophobicContact CG-CG 4.39Å; K200-E204 WeakPolarHBondContact CG-OE1 3.49Å; K200-E204 WeakPolarHBondContact O-CG 3.24Å; K200-E204 PolarHBondContact O-N 2.98Å
201S86.8Confident86Confident69 Ų6946.8 Ų46.848%0.48326%0.262SS..Hα-helixtrans-58.8-42.3-179.7-176.30000111.7L199 E205L199-S201 PolarHBondContact O-N 2.76Å; S201-E205 PolarHBondContact O-N 2.9Å
202V90.8Very high86.1Confident6 Ų646.3 Ų46.34%0.03626%0.261CS..Hα-helixtrans-72.1-45.4-180-179.20000109.7L173 L199 K200 E204 E205 F206 L220 T224 A227L173-V202 HydrophobicContact CD1-CG1 4.1Å; L199-V202 PolarHBondContact O-N 3.36Å; K200-V202 VanDerWaalsContact C-N 3.27Å; K200-V202 PolarHBondContact O-N 3.25Å; V202-E204 PolarHBondContact O-N 2.9Å; V202-E205 PolarHBondContact O-N 3.43Å; V202-E205 VanDerWaalsContact O-N 3.14Å; V202-F206 HydrophobicContact CG1-CD2 3.64Å; V202-F206 HydrophobicContact CG1-CE2 3.44Å; V202-F206 VanDerWaalsContact CG1-CE2 3.44Å; V202-F206 VanDerWaalsContact O-CD2 3.27Å; V202-F206 WeakPolarHBondContact O-CD2 3.43Å; V202-F206 PolarHBondContact O-N 3.01Å; V202-L220 HydrophobicContact CG1-CD1 4.11Å; V202-T224 HydrophobicContact CG1-CG2 4.11Å; V202-T224 VanDerWaalsContact CG1-OG1 3.28Å; V202-T224 WeakPolarHBondContact CG1-OG1 3.44Å; V202-A227 HydrophobicContact CG2-CB 3.81Å
203A87.3Confident86.4Confident4 Ų447.9 Ų47.93%0.03327%0.272CS..Hα-helixtrans-58.5-43.6-179.900000113L173 V177 L199 K200 E205 F206 E207L173-A203 HydrophobicContact CB-CB 3.89Å; V177-A203 HydrophobicContact CG2-CB 3.61Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 2.92Å; K200-A203 PolarHBondContact O-N 2.79Å; A203-E205 VanDerWaalsContact C-N 3.32Å; A203-E205 PolarHBondContact O-N 3.42Å; A203-F206 PolarHBondContact O-N 2.99Å; A203-E207 PolarHBondContact O-N 2.69Å
204E87.4Confident86.6Confident108 Ų10843.9 Ų43.951%0.50525%0.253SS..Hα-helixtrans-60.5-40.2176.2-73.3174-179.400111.7K200 V202 E207K200-E204 WeakPolarHBondContact CE-OE1 3.16Å; K200-E204 HydrophobicContact CG-CG 4.39Å; K200-E204 WeakPolarHBondContact CG-OE1 3.49Å; K200-E204 WeakPolarHBondContact O-CG 3.24Å; K200-E204 PolarHBondContact O-N 2.98Å; V202-E204 PolarHBondContact O-N 2.9Å; E204-E207 WeakPolarHBondContact O-CB 3.24Å; E204-E207 PolarHBondContact O-N 3.24Å
205E87.7Confident86.6Confident39 Ų3947.6 Ų47.618%0.18227%0.274CS..Hα-helixtrans-69.2-35176.4-74.2-172.9-120.700112.7S201 V202 A203 E207 S208 L209 M212 L220 R223S201-E205 PolarHBondContact O-N 2.9Å; V202-E205 PolarHBondContact O-N 3.43Å; V202-E205 VanDerWaalsContact O-N 3.14Å; A203-E205 VanDerWaalsContact C-N 3.32Å; A203-E205 PolarHBondContact O-N 3.42Å; E205-E207 PolarHBondContact O-N 2.89Å; E205-S208 CarbonylContact O-C 3.59Å; E205-S208 PolarHBondContact O-N 3.49Å; E205-S208 PolarHBondContact O-OG 2.84Å; E205-L209 PolarHBondContact O-N 2.99Å; E205-M212 HydrophobicContact CB-CE 3.98Å; E205-M212 HydrophobicContact CG-CE 4.33Å; E205-L220 HydrophobicContact CB-CD1 3.68Å; E205-L220 HydrophobicContact CB-CD2 4.15Å; E205-L220 HydrophobicContact CG-CD1 4.48Å; E205-R223 IonicContact OE1-CZ 2.62Å; E205-R223 IonicContact OE1-NH1 2.67Å; E205-R223 PolarHBondContact OE1-NH1 3.36Å; E205-R223 IonicContact OE1-NH2 3.84Å; E205-R223 IonicContact OE2-CZ 2.68Å; E205-R223 IonicContact OE2-NH1 3.83Å; E205-R223 PolarHBondContact OE2-NH1 3.08Å; E205-R223 IonicContact OE2-NH2 3.55Å; E205-R223 PolarHBondContact OE2-NH2 2.86Å
206F87.6Confident86.6Confident16 Ų1651.4 Ų51.47%0.0730%0.295CS..Hα-helixtrans-64.2-26.3175.7-92.3-100.3000113.3L173 V202 A203 S208 L209 L220 M221 T224 V252 Q255L173-F206 HydrophobicContact CD1-CB 4.25Å; L173-F206 HydrophobicContact CD1-CD1 3.95Å; L173-F206 HydrophobicContact CD1-CD2 3.36Å; L173-F206 HydrophobicContact CD1-CE1 4.06Å; L173-F206 HydrophobicContact CD1-CE2 3.46Å; L173-F206 VanDerWaalsContact CD1-CE2 3.46Å; L173-F206 HydrophobicContact CD1-CG 3.6Å; L173-F206 HydrophobicContact CD1-CZ 3.82Å; V202-F206 HydrophobicContact CG1-CD2 3.64Å; V202-F206 HydrophobicContact CG1-CE2 3.44Å; V202-F206 VanDerWaalsContact CG1-CE2 3.44Å; V202-F206 VanDerWaalsContact O-CD2 3.27Å; V202-F206 WeakPolarHBondContact O-CD2 3.43Å; V202-F206 PolarHBondContact O-N 3.01Å; A203-F206 PolarHBondContact O-N 2.99Å; F206-S208 PolarHBondContact O-N 3.25Å; F206-L209 HydrophobicContact CD1-CD2 3.84Å; F206-L209 HydrophobicContact CE1-CD2 4.05Å; F206-L209 WeakPolarHBondContact O-CB 3.38Å; F206-L209 PolarHBondContact O-N 3.47Å; F206-L209 VanDerWaalsContact O-N 3.13Å; F206-L220 HydrophobicContact CD2-CD1 4.21Å; F206-L220 HydrophobicContact CD2-CD2 3.74Å; F206-L220 HydrophobicContact CD2-CG 4.13Å; F206-L220 HydrophobicContact CE2-CD1 4.13Å; F206-L220 HydrophobicContact CE2-CD2 3.82Å; F206-L220 HydrophobicContact CE2-CG 3.82Å; F206-L220 HydrophobicContact CG-CD2 4.31Å; F206-L220 HydrophobicContact CZ-CD2 4.42Å; F206-M221 HydrophobicContact CE1-CE 4.33Å; F206-M221 HydrophobicContact CE2-CE 4.21Å; F206-M221 HydrophobicContact CZ-CE 3.62Å; F206-T224 HydrophobicContact CE2-CG2 4.34Å; F206-T224 WeakPolarHBondContact CE2-OG1 3.22Å; F206-T224 HydrophobicContact CZ-CG2 4.44Å; F206-V252 HydrophobicContact CE1-CG1 4.26Å; F206-V252 HydrophobicContact CE1-CG2 4.3Å; F206-V252 HydrophobicContact CZ-CB 4.45Å; F206-V252 HydrophobicContact CZ-CG1 3.92Å; F206-V252 HydrophobicContact CZ-CG2 3.93Å; F206-Q255 HydrophobicContact CD1-CB 4.07Å; F206-Q255 HydrophobicContact CD1-CG 4.11Å; F206-Q255 HydrophobicContact CE1-CB 3.88Å; F206-Q255 HydrophobicContact CE1-CG 4.27Å
207E83.1Confident86.8Confident128 Ų12850.6 Ų50.660%0.59829%0.289SS*.Hα-helixtrans-62.8-30.8172-64.3-172.4170.100111.9T174 A203 E204 E205T174-E207 VanDerWaalsContact CG2-OE1 3.22Å; T174-E207 WeakPolarHBondContact CG2-OE1 3.42Å; T174-E207 PolarHBondContact OG1-OE1 3.33Å; A203-E207 PolarHBondContact O-N 2.69Å; E204-E207 WeakPolarHBondContact O-CB 3.24Å; E204-E207 PolarHBondContact O-N 3.24Å; E205-E207 PolarHBondContact O-N 2.89Å
208S82.9Confident87.1Confident45 Ų4548.6 Ų48.632%0.31527%0.272SS..THydrogen-bonded Turntrans-920.7176.372.40000114.1E205 F206 S210 S211 M212E205-S208 CarbonylContact O-C 3.59Å; E205-S208 PolarHBondContact O-N 3.49Å; E205-S208 PolarHBondContact O-OG 2.84Å; F206-S208 PolarHBondContact O-N 3.25Å; S208-S210 VanDerWaalsContact C-N 3.28Å; S208-S210 PolarHBondContact O-N 2.82Å; S208-S210 VanDerWaalsContact O-N 3.17Å; S208-S211 WeakPolarHBondContact O-CB 3.12Å; S208-S211 PolarHBondContact O-N 3.12Å; S208-S211 PolarHBondContact O-OG 2.93Å; S208-M212 PolarHBondContact O-N 2.88Å; S208-M212 WeakPolarHBondContact OG-CE 3.38Å
209L83.9Confident87.1Confident4 Ų450 Ų502%0.02128%0.282CS..THydrogen-bonded Turntrans-54.2-41.9-172.4-175.670.4000112.7E205 F206 S211 M212 A217 L220 Q255 L259E205-L209 PolarHBondContact O-N 2.99Å; F206-L209 HydrophobicContact CD1-CD2 3.84Å; F206-L209 HydrophobicContact CE1-CD2 4.05Å; F206-L209 WeakPolarHBondContact O-CB 3.38Å; F206-L209 PolarHBondContact O-N 3.47Å; F206-L209 VanDerWaalsContact O-N 3.13Å; L209-S211 PolarHBondContact O-N 2.6Å; L209-S211 VanDerWaalsContact O-N 3.1Å; L209-M212 HydrophobicContact CD1-SD 4.42Å; L209-M212 PolarHBondContact O-N 3.24Å; L209-A217 HydrophobicContact CD1-CB 4.24Å; L209-L220 HydrophobicContact CD1-CD2 3.89Å; L209-Q255 HydrophobicContact CD2-CB 3.78Å; L209-L259 HydrophobicContact CD1-CD2 3.92Å; L209-L259 HydrophobicContact CD2-CB 4.37Å; L209-L259 HydrophobicContact CG-CB 4.43Å; L209-L259 HydrophobicContact CG-CD1 4.41Å; L209-L259 HydrophobicContact CG-CD2 4.07Å; L209-L259 WeakPolarHBondContact O-CD1 3.5Å
210S78.3Confident87.2Confident91 Ų9150 Ų5064%0.63628%0.282SS*.THydrogen-bonded Turntrans-60.2-22.8180560000113.6S208S208-S210 VanDerWaalsContact C-N 3.28Å; S208-S210 PolarHBondContact O-N 2.82Å; S208-S210 VanDerWaalsContact O-N 3.17Å
211S80.7Confident87.4Confident86 Ų8645 Ų4560%0.60126%0.26SS*.THydrogen-bonded Turntrans-92.1-24.4176.972.30000113.5S208 L209 R263S208-S211 WeakPolarHBondContact O-CB 3.12Å; S208-S211 PolarHBondContact O-N 3.12Å; S208-S211 PolarHBondContact O-OG 2.93Å; L209-S211 PolarHBondContact O-N 2.6Å; L209-S211 VanDerWaalsContact O-N 3.1Å; S211-R263 PolarHBondContact O-NH1 3.04Å
212M84.9Confident87.7Confident26 Ų2647 Ų4713%0.12826%0.262CS..SBendtrans-67.9141.4-175-72.9-178.2169.900113.4E205 S208 L209 D216 L220 R263E205-M212 HydrophobicContact CB-CE 3.98Å; E205-M212 HydrophobicContact CG-CE 4.33Å; S208-M212 PolarHBondContact O-N 2.88Å; S208-M212 WeakPolarHBondContact OG-CE 3.38Å; L209-M212 HydrophobicContact CD1-SD 4.42Å; L209-M212 PolarHBondContact O-N 3.24Å; M212-D216 HydrophobicContact CB-CB 4.17Å; M212-D216 HydrophobicContact CG-CB 4.41Å; M212-L220 HydrophobicContact CE-CD2 4.49Å; M212-L220 HydrophobicContact SD-CD2 3.91Å; M212-R263 PolarHBondContact O-NH1 2.93Å
213S88.8Confident87.8Confident36 Ų3651.2 Ų51.225%0.25228%0.277SS..  trans-66.4162.1171.278.10000111.2I215 D216 A217S213-I215 PolarHBondContact O-N 2.48Å; S213-I215 PolarHBondContact OG-N 3.34Å; S213-D216 WeakPolarHBondContact CB-OD2 3.45Å; S213-D216 PolarHBondContact N-OD2 3.4Å; S213-D216 PolarHBondContact O-N 3.13Å; S213-D216 PolarHBondContact OG-N 3.18Å; S213-D216 VanDerWaalsContact OG-N 3.16Å; S213-D216 PolarHBondContact OG-OD2 3.41Å; S213-A217 WeakPolarHBondContact O-CB 3.39Å; S213-A217 PolarHBondContact O-N 2.94Å
214F89.1Confident88.1Confident10 Ų1051 Ų514%0.04428%0.276CS..Hα-helixtrans-60.9-29.3175.7-67.8-54.2000112.7S218 L259 V260 R263 Q280 P283 A284 L287F214-S218 WeakPolarHBondContact O-CB 3.38Å; F214-S218 PolarHBondContact O-N 2.75Å; F214-S218 PolarHBondContact O-OG 2.94Å; F214-L259 HydrophobicContact CD1-CD2 4.41Å; F214-L259 HydrophobicContact CE1-CG 4.33Å; F214-V260 HydrophobicContact CE1-CG2 4.03Å; F214-R263 HydrophobicContact CZ-CB 3.93Å; F214-R263 HydrophobicContact CZ-CG 4.47Å; F214-Q280 WeakPolarHBondContact CE2-O 3.42Å; F214-P283 HydrophobicContact CB-CB 3.62Å; F214-P283 HydrophobicContact CD2-CB 3.88Å; F214-P283 HydrophobicContact CG-CB 4.09Å; F214-A284 HydrophobicContact CD1-CB 4.46Å; F214-A284 HydrophobicContact CD2-CB 4.39Å; F214-A284 HydrophobicContact CE1-CB 4.02Å; F214-A284 HydrophobicContact CE2-CB 3.92Å; F214-A284 HydrophobicContact CZ-CB 3.72Å; F214-L287 HydrophobicContact CD1-CD2 3.88Å
215I87.6Confident88.4Confident129 Ų12947.3 Ų47.366%0.66226%0.258SS*.Hα-helixtrans-70.6-45.9177.1-60.5171.5000110S213 A217 S218 S219S213-I215 PolarHBondContact O-N 2.48Å; S213-I215 PolarHBondContact OG-N 3.34Å; I215-A217 VanDerWaalsContact C-N 3.31Å; I215-A217 PolarHBondContact O-N 3.34Å; I215-S218 WeakPolarHBondContact O-CB 3.38Å; I215-S218 PolarHBondContact O-N 3.02Å; I215-S219 PolarHBondContact O-N 3.26Å; I215-S219 VanDerWaalsContact O-N 3.11Å
216D88.5Confident88.6Confident81 Ų8149.9 Ų49.943%0.43327%0.273SS..Hα-helixtrans-64.7-40.4176.8-54.5-43.4000110.4M212 S213 S218 S219 L220M212-D216 HydrophobicContact CB-CB 4.17Å; M212-D216 HydrophobicContact CG-CB 4.41Å; S213-D216 WeakPolarHBondContact CB-OD2 3.45Å; S213-D216 PolarHBondContact N-OD2 3.4Å; S213-D216 PolarHBondContact O-N 3.13Å; S213-D216 PolarHBondContact OG-N 3.18Å; S213-D216 VanDerWaalsContact OG-N 3.16Å; S213-D216 PolarHBondContact OG-OD2 3.41Å; D216-S218 VanDerWaalsContact C-N 3.33Å; D216-S218 PolarHBondContact O-N 3.36Å; D216-S219 WeakPolarHBondContact O-CB 3.3Å; D216-S219 PolarHBondContact O-N 3.48Å; D216-S219 VanDerWaalsContact O-N 3.16Å; D216-S219 PolarHBondContact O-OG 2.9Å; D216-L220 PolarHBondContact O-N 2.65Å
217A91.2Very high88.8Confident0 Ų049.4 Ų49.40%027%0.272CS..Hα-helixtrans-61.6-39.417400000112L209 S213 I215 S219 L220 M221 L259 L287L209-A217 HydrophobicContact CD1-CB 4.24Å; S213-A217 WeakPolarHBondContact O-CB 3.39Å; S213-A217 PolarHBondContact O-N 2.94Å; I215-A217 VanDerWaalsContact C-N 3.31Å; I215-A217 PolarHBondContact O-N 3.34Å; A217-S219 VanDerWaalsContact C-N 3.32Å; A217-S219 PolarHBondContact O-N 2.91Å; A217-L220 CarbonylContact O-C 3.6Å; A217-L220 WeakPolarHBondContact O-CA 3.3Å; A217-L220 WeakPolarHBondContact O-CB 3.06Å; A217-L220 PolarHBondContact O-N 3.39Å; A217-L220 VanDerWaalsContact O-N 3.12Å; A217-M221 WeakPolarHBondContact O-CG 3.49Å; A217-M221 PolarHBondContact O-N 3.45Å; A217-L259 HydrophobicContact CB-CD2 3.73Å; A217-L287 HydrophobicContact CB-CD1 4.16Å; A217-L287 HydrophobicContact CB-CD2 3.89Å
218S92Very high89.4Confident21 Ų2143.3 Ų43.315%0.14724%0.244CC..Hα-helixtrans-60.7-40.5173.7-88.20000112.2F214 I215 D216 L220 M221 E222 Q290F214-S218 WeakPolarHBondContact O-CB 3.38Å; F214-S218 PolarHBondContact O-N 2.75Å; F214-S218 PolarHBondContact O-OG 2.94Å; I215-S218 WeakPolarHBondContact O-CB 3.38Å; I215-S218 PolarHBondContact O-N 3.02Å; D216-S218 VanDerWaalsContact C-N 3.33Å; D216-S218 PolarHBondContact O-N 3.36Å; S218-L220 VanDerWaalsContact C-N 3.31Å; S218-L220 PolarHBondContact O-N 3.18Å; S218-M221 PolarHBondContact O-N 2.88Å; S218-E222 PolarHBondContact O-N 2.91Å; S218-Q290 VanDerWaalsContact CA-OE1 3.28Å; S218-Q290 PolarHBondContact O-NE2 3.33Å; S218-Q290 VanDerWaalsContact O-NE2 3.09Å; S218-Q290 PolarHBondContact OG-OE1 3.33Å
219S91.4Very high89.7Confident45 Ų4543.8 Ų43.832%0.31524%0.241SC..Hα-helixtrans-67.1-32.417480.50000112.7I215 D216 A217 R223I215-S219 PolarHBondContact O-N 3.26Å; I215-S219 VanDerWaalsContact O-N 3.11Å; D216-S219 WeakPolarHBondContact O-CB 3.3Å; D216-S219 PolarHBondContact O-N 3.48Å; D216-S219 VanDerWaalsContact O-N 3.16Å; D216-S219 PolarHBondContact O-OG 2.9Å; A217-S219 VanDerWaalsContact C-N 3.32Å; A217-S219 PolarHBondContact O-N 2.91Å; S219-R223 PolarHBondContact O-N 2.91Å; S219-R223 PolarHBondContact O-NE 3.47Å; S219-R223 VanDerWaalsContact O-NE 3.09Å; S219-R223 PolarHBondContact OG-NH2 3.36Å
220L92.7Very high90.1Very high0 Ų048.6 Ų48.60%026%0.263CS..Hα-helixtrans-69.4-35173.4-179.158.9000110.9V202 E205 F206 L209 M212 D216 A217 S218 R223 T224V202-L220 HydrophobicContact CG1-CD1 4.11Å; E205-L220 HydrophobicContact CB-CD1 3.68Å; E205-L220 HydrophobicContact CB-CD2 4.15Å; E205-L220 HydrophobicContact CG-CD1 4.48Å; F206-L220 HydrophobicContact CD2-CD1 4.21Å; F206-L220 HydrophobicContact CD2-CD2 3.74Å; F206-L220 HydrophobicContact CD2-CG 4.13Å; F206-L220 HydrophobicContact CE2-CD1 4.13Å; F206-L220 HydrophobicContact CE2-CD2 3.82Å; F206-L220 HydrophobicContact CE2-CG 3.82Å; F206-L220 HydrophobicContact CG-CD2 4.31Å; F206-L220 HydrophobicContact CZ-CD2 4.42Å; L209-L220 HydrophobicContact CD1-CD2 3.89Å; M212-L220 HydrophobicContact CE-CD2 4.49Å; M212-L220 HydrophobicContact SD-CD2 3.91Å; D216-L220 PolarHBondContact O-N 2.65Å; A217-L220 CarbonylContact O-C 3.6Å; A217-L220 WeakPolarHBondContact O-CA 3.3Å; A217-L220 WeakPolarHBondContact O-CB 3.06Å; A217-L220 PolarHBondContact O-N 3.39Å; A217-L220 VanDerWaalsContact O-N 3.12Å; S218-L220 VanDerWaalsContact C-N 3.31Å; S218-L220 PolarHBondContact O-N 3.18Å; L220-R223 PolarHBondContact O-N 3.49Å; L220-T224 WeakPolarHBondContact O-CB 3.34Å; L220-T224 PolarHBondContact O-N 2.72Å; L220-T224 PolarHBondContact O-OG1 2.97Å
221M93.2Very high90.6Very high2 Ų244.2 Ų44.21%0.0123%0.233CC..Hα-helixtrans-64.4-39.7176-65.6-49.193.200112.2F206 A217 S218 T224 Q225 V252 I256 L287 W291F206-M221 HydrophobicContact CE1-CE 4.33Å; F206-M221 HydrophobicContact CE2-CE 4.21Å; F206-M221 HydrophobicContact CZ-CE 3.62Å; A217-M221 WeakPolarHBondContact O-CG 3.49Å; A217-M221 PolarHBondContact O-N 3.45Å; S218-M221 PolarHBondContact O-N 2.88Å; M221-T224 PolarHBondContact O-N 2.78Å; M221-Q225 WeakPolarHBondContact O-CB 3.35Å; M221-Q225 PolarHBondContact O-N 3.48Å; M221-V252 HydrophobicContact CE-CG1 4.42Å; M221-V252 HydrophobicContact SD-CG1 3.82Å; M221-I256 HydrophobicContact CG-CD1 4.45Å; M221-I256 HydrophobicContact SD-CD1 3.5Å; M221-I256 WeakPolarHBondContact SD-CD1 3.47Å; M221-I256 HydrophobicContact SD-CG1 3.87Å; M221-L287 HydrophobicContact CG-CD1 3.49Å; M221-L287 VanDerWaalsContact CG-CD1 3.49Å; M221-W291 HydrophobicContact CB-CE3 4.14Å; M221-W291 HydrophobicContact CG-CE3 4.33Å; M221-W291 HydrophobicContact SD-CD2 4.17Å; M221-W291 HydrophobicContact SD-CE3 3.86Å; M221-W291 HydrophobicContact SD-CZ3 4.43Å
222E92.7Very high91.1Very high110 Ų11040.4 Ų40.451%0.51421%0.205SC..Hα-helixtrans-63.1-43.7174.3-63.6-177.9175.200111.4S218 T224 Q225 N226 Q290S218-E222 PolarHBondContact O-N 2.91Å; E222-T224 VanDerWaalsContact C-N 3.34Å; E222-T224 PolarHBondContact O-N 2.87Å; E222-Q225 WeakPolarHBondContact O-CB 3.44Å; E222-Q225 PolarHBondContact O-N 3.25Å; E222-N226 PolarHBondContact O-N 3.36Å; E222-N226 PolarHBondContact O-ND2 3.01Å; E222-Q290 VanDerWaalsContact CG-NE2 3.29Å
223R92.9Very high91.2Very high94 Ų9440.6 Ų40.636%0.35521%0.211SC..Hα-helixtrans-67.4-35.2177.2-72177.1-75.3157.25.5112.5E205 S219 L220 N226 A227E205-R223 IonicContact OE1-CZ 2.62Å; E205-R223 IonicContact OE1-NH1 2.67Å; E205-R223 PolarHBondContact OE1-NH1 3.36Å; E205-R223 IonicContact OE1-NH2 3.84Å; E205-R223 IonicContact OE2-CZ 2.68Å; E205-R223 IonicContact OE2-NH1 3.83Å; E205-R223 PolarHBondContact OE2-NH1 3.08Å; E205-R223 IonicContact OE2-NH2 3.55Å; E205-R223 PolarHBondContact OE2-NH2 2.86Å; S219-R223 PolarHBondContact O-N 2.91Å; S219-R223 PolarHBondContact O-NE 3.47Å; S219-R223 VanDerWaalsContact O-NE 3.09Å; S219-R223 PolarHBondContact OG-NH2 3.36Å; L220-R223 PolarHBondContact O-N 3.49Å; R223-N226 PolarHBondContact O-N 2.83Å; R223-A227 WeakPolarHBondContact O-CB 3.34Å; R223-A227 PolarHBondContact O-N 2.87Å
224T93.5Very high91.1Very high0 Ų039.9 Ų39.90%020%0.204CC..Hα-helixtrans-66.3-44.4173.9-53.30000110.9V202 F206 L220 M221 E222 N226 A227 F228 V252 W291V202-T224 HydrophobicContact CG1-CG2 4.11Å; V202-T224 VanDerWaalsContact CG1-OG1 3.28Å; V202-T224 WeakPolarHBondContact CG1-OG1 3.44Å; F206-T224 HydrophobicContact CE2-CG2 4.34Å; F206-T224 WeakPolarHBondContact CE2-OG1 3.22Å; F206-T224 HydrophobicContact CZ-CG2 4.44Å; L220-T224 WeakPolarHBondContact O-CB 3.34Å; L220-T224 PolarHBondContact O-N 2.72Å; L220-T224 PolarHBondContact O-OG1 2.97Å; M221-T224 PolarHBondContact O-N 2.78Å; E222-T224 VanDerWaalsContact C-N 3.34Å; E222-T224 PolarHBondContact O-N 2.87Å; T224-N226 VanDerWaalsContact C-N 3.33Å; T224-N226 PolarHBondContact O-N 3.22Å; T224-A227 PolarHBondContact O-N 3.12Å; T224-F228 HydrophobicContact CG2-CD1 4.27Å; T224-F228 HydrophobicContact CG2-CD2 4.36Å; T224-F228 HydrophobicContact CG2-CE1 3.82Å; T224-F228 HydrophobicContact CG2-CE2 3.92Å; T224-F228 HydrophobicContact CG2-CZ 3.62Å; T224-F228 WeakPolarHBondContact O-CB 3.43Å; T224-F228 WeakPolarHBondContact O-CD1 3.47Å; T224-F228 WeakPolarHBondContact O-CG 3.38Å; T224-F228 PolarHBondContact O-N 3.09Å; T224-V252 HydrophobicContact CG2-CG2 3.94Å; T224-W291 HydrophobicContact CG2-CH2 3.8Å; T224-W291 HydrophobicContact CG2-CZ3 4.09Å
225Q93.3Very high90.8Very high31 Ų3146.3 Ų46.315%0.14523%0.234CC..Hα-helixtrans-57.4-47.3174175.2178.2-7.400110.7M221 E222 F228 E229 A294 L298M221-Q225 WeakPolarHBondContact O-CB 3.35Å; M221-Q225 PolarHBondContact O-N 3.48Å; E222-Q225 WeakPolarHBondContact O-CB 3.44Å; E222-Q225 PolarHBondContact O-N 3.25Å; Q225-F228 PolarHBondContact O-N 3.09Å; Q225-E229 WeakPolarHBondContact O-CB 3.44Å; Q225-E229 PolarHBondContact O-N 3.4Å; Q225-A294 HydrophobicContact CG-CB 4.44Å; Q225-L298 HydrophobicContact CG-CD1 4.04Å; Q225-L298 HydrophobicContact CG-CD2 4.28Å; Q225-L298 HydrophobicContact CG-CG 4.31Å
226N92.5Very high90.6Very high93 Ų9344 Ų4450%0.49724%0.235SC..Hα-helixtrans-63.2-43.8177.8-66.4-21.3000112E222 R223 T224 F228 E229 E230E222-N226 PolarHBondContact O-N 3.36Å; E222-N226 PolarHBondContact O-ND2 3.01Å; R223-N226 PolarHBondContact O-N 2.83Å; T224-N226 VanDerWaalsContact C-N 3.33Å; T224-N226 PolarHBondContact O-N 3.22Å; N226-F228 VanDerWaalsContact C-N 3.33Å; N226-F228 PolarHBondContact O-N 2.99Å; N226-E229 PolarHBondContact O-N 3.33Å; N226-E230 WeakPolarHBondContact O-CB 3.33Å; N226-E230 PolarHBondContact O-N 3.09Å
227A92.8Very high90.3Very high6 Ų642.9 Ų42.95%0.0523%0.226CC..Hα-helixtrans-63.6-38.9177.600000111.9T198 V202 R223 T224 E230 L231T198-A227 HydrophobicContact CG2-CB 4.23Å; V202-A227 HydrophobicContact CG2-CB 3.81Å; R223-A227 WeakPolarHBondContact O-CB 3.34Å; R223-A227 PolarHBondContact O-N 2.87Å; T224-A227 PolarHBondContact O-N 3.12Å; A227-E230 PolarHBondContact O-N 3.24Å; A227-L231 WeakPolarHBondContact O-CB 3.3Å; A227-L231 WeakPolarHBondContact O-CG 3.4Å; A227-L231 PolarHBondContact O-N 3.49Å
228F93.9Very high89.8Confident0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-70.7-37.6176.7-71.96.5000111.7L173 L199 T224 Q225 N226 L231 W232 M245 L248 L249 V252 W291 W303L173-F228 HydrophobicContact CD2-CE1 4.3Å; L173-F228 HydrophobicContact CD2-CZ 4.19Å; L199-F228 HydrophobicContact CD2-CD1 4.3Å; L199-F228 HydrophobicContact CD2-CE1 3.95Å; T224-F228 HydrophobicContact CG2-CD1 4.27Å; T224-F228 HydrophobicContact CG2-CD2 4.36Å; T224-F228 HydrophobicContact CG2-CE1 3.82Å; T224-F228 HydrophobicContact CG2-CE2 3.92Å; T224-F228 HydrophobicContact CG2-CZ 3.62Å; T224-F228 WeakPolarHBondContact O-CB 3.43Å; T224-F228 WeakPolarHBondContact O-CD1 3.47Å; T224-F228 WeakPolarHBondContact O-CG 3.38Å; T224-F228 PolarHBondContact O-N 3.09Å; Q225-F228 PolarHBondContact O-N 3.09Å; N226-F228 VanDerWaalsContact C-N 3.33Å; N226-F228 PolarHBondContact O-N 2.99Å; F228-L231 HydrophobicContact CD1-CD1 4.44Å; F228-W232 WeakPolarHBondContact O-CB 3.43Å; F228-W232 PolarHBondContact O-N 3.3Å; F228-M245 HydrophobicContact CB-CE 4.32Å; F228-M245 HydrophobicContact CB-SD 4.08Å; F228-M245 HydrophobicContact CD2-SD 4.04Å; F228-M245 HydrophobicContact CG-SD 3.96Å; F228-L248 HydrophobicContact CE1-CB 4.27Å; F228-L248 HydrophobicContact CE1-CD1 4.04Å; F228-L248 HydrophobicContact CE2-CB 3.98Å; F228-L248 HydrophobicContact CZ-CB 3.66Å; F228-L248 HydrophobicContact CZ-CD1 4.28Å; F228-L249 HydrophobicContact CD2-CD2 3.77Å; F228-L249 HydrophobicContact CE2-CD2 3.92Å; F228-V252 HydrophobicContact CE2-CG2 4.04Å; F228-V252 HydrophobicContact CZ-CG2 3.77Å; F228-W291 HydrophobicContact CD2-CH2 4.04Å; F228-W291 AromaticContact CE2-CH2 3.84Å; F228-W291 HydrophobicContact CE2-CH2 3.84Å; F228-W291 HydrophobicContact CE2-CZ2 4.12Å; F228-W303 HydrophobicContact CB-CH2 4.38Å; F228-W303 HydrophobicContact CB-CZ2 4.33Å
229E90.9Very high89.4Confident55 Ų5550 Ų5026%0.25726%0.261SS..Hα-helixtrans-63-42.2171.9-171.1172.3179.600111.3Q225 N226 W232 A233 L298Q225-E229 WeakPolarHBondContact O-CB 3.44Å; Q225-E229 PolarHBondContact O-N 3.4Å; N226-E229 PolarHBondContact O-N 3.33Å; E229-W232 PolarHBondContact O-N 3.09Å; E229-A233 WeakPolarHBondContact O-CB 3.3Å; E229-A233 PolarHBondContact O-N 3.34Å; E229-L298 HydrophobicContact CB-CD2 4.37Å
230E90.8Very high89.1Confident104 Ų10448 Ų4849%0.48625%0.247SC..Hα-helixtrans-63.7-45.6176.4-173.4176.9176.700112.1F194 T198 N226 A227 W232 A233 Q234F194-E230 HydrophobicContact CZ-CG 4.25Å; T198-E230 HydrophobicContact CG2-CB 4.03Å; T198-E230 HydrophobicContact CG2-CG 4.05Å; N226-E230 WeakPolarHBondContact O-CB 3.33Å; N226-E230 PolarHBondContact O-N 3.09Å; A227-E230 PolarHBondContact O-N 3.24Å; E230-W232 VanDerWaalsContact C-N 3.28Å; E230-W232 PolarHBondContact O-N 2.96Å; E230-A233 PolarHBondContact O-N 3.48Å; E230-Q234 PolarHBondContact O-N 3.48Å
231L89.5Confident88.8Confident0 Ų049.7 Ų49.70%026%0.258CS..Hα-helixtrans-58.7-39.7173.8-77.5178.4000112.5F195 T198 L199 A227 F228 Q234 Y240 M245 L248F195-L231 HydrophobicContact CB-CD2 4.29Å; F195-L231 HydrophobicContact CD1-CD2 3.62Å; F195-L231 HydrophobicContact CE1-CD2 4.39Å; F195-L231 HydrophobicContact CG-CD2 4.27Å; T198-L231 HydrophobicContact CG2-CD2 4.06Å; T198-L231 HydrophobicContact CG2-CG 3.91Å; L199-L231 HydrophobicContact CD1-CD1 4.04Å; L199-L231 HydrophobicContact CD2-CD1 3.55Å; L199-L231 HydrophobicContact CG-CD1 3.73Å; A227-L231 WeakPolarHBondContact O-CB 3.3Å; A227-L231 WeakPolarHBondContact O-CG 3.4Å; A227-L231 PolarHBondContact O-N 3.49Å; F228-L231 HydrophobicContact CD1-CD1 4.44Å; L231-Q234 WeakPolarHBondContact O-CG 3.45Å; L231-Y240 HydrophobicContact CD1-CD2 4.49Å; L231-Y240 HydrophobicContact CD1-CE2 4.27Å; L231-Y240 HydrophobicContact CD2-CD2 4.25Å; L231-Y240 HydrophobicContact CD2-CE2 4.43Å; L231-M245 HydrophobicContact CB-CE 3.87Å; L231-M245 HydrophobicContact CD1-CE 4.14Å; L231-L248 HydrophobicContact CD1-CD1 4.39Å
232W90.5Very high88.4Confident5 Ų551.5 Ų51.52%0.01927%0.266CS..Hα-helixtrans-77.4-35.6-178.2-163.5-91.9000112.6F228 E229 E230 E242 M245 W303 W309 W311F228-W232 WeakPolarHBondContact O-CB 3.43Å; F228-W232 PolarHBondContact O-N 3.3Å; E229-W232 PolarHBondContact O-N 3.09Å; E230-W232 VanDerWaalsContact C-N 3.28Å; E230-W232 PolarHBondContact O-N 2.96Å; W232-E242 HydrophobicContact CH2-CB 3.91Å; W232-E242 HydrophobicContact CH2-CG 3.99Å; W232-E242 HydrophobicContact CZ3-CB 4.43Å; W232-M245 HydrophobicContact CE3-CB 4.1Å; W232-M245 HydrophobicContact CE3-CE 4.04Å; W232-M245 HydrophobicContact CE3-CG 3.92Å; W232-M245 HydrophobicContact CZ3-CB 3.78Å; W232-M245 HydrophobicContact CZ3-CG 4.02Å; W232-W303 HydrophobicContact CB-CZ2 4.09Å; W232-W303 AromaticContact CD1-CD1 3.51Å; W232-W303 AromaticContact CD1-CG 3.7Å; W232-W303 AromaticContact CD1-NE1 3.78Å; W232-W303 HydrophobicContact CD2-CD2 4.2Å; W232-W303 HydrophobicContact CD2-CE3 4.43Å; W232-W303 HydrophobicContact CD2-CG 4.48Å; W232-W303 HydrophobicContact CG-CD2 4.03Å; W232-W303 AromaticContact CG-CE2 3.84Å; W232-W303 HydrophobicContact CG-CG 4.13Å; W232-W303 HydrophobicContact CG-CZ2 4.33Å; W232-W303 AromaticContact CG-NE1 3.83Å; W232-W303 AromaticContact NE1-CG 3.81Å; W232-W309 AromaticContact CE2-CD1 3.51Å; W232-W309 AromaticContact CH2-CD1 3.69Å; W232-W309 AromaticContact CH2-NE1 3.44Å; W232-W309 AromaticContact CZ2-CD1 3.33Å; W232-W309 HydrophobicContact CZ2-CG 4.26Å; W232-W309 AromaticContact CZ2-NE1 3.57Å; W232-W309 AromaticContact CZ3-NE1 3.91Å; W232-W309 AromaticContact NE1-CD1 3.95Å; W232-W309 PolarHBondContact NE1-O 3.25Å; W232-W311 AromaticContact CH2-CE3 3.51Å; W232-W311 HydrophobicContact CH2-CE3 3.51Å; W232-W311 AromaticContact CH2-CZ3 3.85Å; W232-W311 HydrophobicContact CH2-CZ3 3.85Å; W232-W311 HydrophobicContact CZ2-CB 4.43Å; W232-W311 AromaticContact CZ2-CE3 3.78Å; W232-W311 HydrophobicContact CZ2-CE3 3.78Å; W232-W311 HydrophobicContact CZ3-CE3 4.01Å; W232-W311 AromaticContact CZ3-CZ3 3.93Å; W232-W311 HydrophobicContact CZ3-CZ3 3.93Å
233A87.3Confident87.8Confident30 Ų3050.1 Ų50.125%0.24827%0.274CS..Hα-helixtrans-81.1-15.9-175.600000113.9E229 E230 W306E229-A233 WeakPolarHBondContact O-CB 3.3Å; E229-A233 PolarHBondContact O-N 3.34Å; E230-A233 PolarHBondContact O-N 3.48Å; A233-W306 HydrophobicContact CB-CH2 4.33Å; A233-W306 HydrophobicContact CB-CZ2 3.62Å
234Q87.3Confident87.5Confident22 Ų2246.5 Ų46.510%0.10326%0.26CS..  trans-59.3140.9-177.979.181.820.300112.2F194 F195 E230 L231 A236 F237 E238F194-Q234 HydrophobicContact CD1-CB 4.47Å; F194-Q234 HydrophobicContact CD1-CG 4.37Å; F194-Q234 HydrophobicContact CE1-CB 3.53Å; F194-Q234 HydrophobicContact CE1-CG 3.72Å; F194-Q234 HydrophobicContact CZ-CB 3.8Å; F194-Q234 HydrophobicContact CZ-CG 4.49Å; F195-Q234 HydrophobicContact CE1-CG 4.17Å; E230-Q234 PolarHBondContact O-N 3.48Å; L231-Q234 WeakPolarHBondContact O-CG 3.45Å; Q234-A236 VanDerWaalsContact OE1-N 3.07Å; Q234-F237 PolarHBondContact NE2-O 3.36Å; Q234-F237 PolarHBondContact OE1-O 3.09Å; Q234-E238 PolarHBondContact NE2-O 3.36Å
235Q83.3Confident87.3Confident144 Ų14446.5 Ų46.567%0.67326%0.26SS*.  trans-126-1.9179.8-59.7-179.1900112.9F237Q235-F237 VanDerWaalsContact C-N 3.31Å
236A82.3Confident87Confident82 Ų8247.8 Ų47.868%0.67827%0.267SS*.SBendtrans-73.6-27.5-176.100000112Q234Q234-A236 VanDerWaalsContact OE1-N 3.07Å
237F83.5Confident86.6Confident56 Ų5645 Ų4525%0.24625%0.252CS..SBendtrans-130.7171.2-175.5-45.2-70.6000110.9D190 R191 F194 Q234 Q235D190-F237 HydrophobicContact CB-CE1 3.71Å; D190-F237 HydrophobicContact CB-CZ 4.1Å; R191-F237 HydrophobicContact CB-CB 3.92Å; R191-F237 HydrophobicContact CB-CD1 3.96Å; R191-F237 HydrophobicContact CB-CG 3.89Å; R191-F237 HydrophobicContact CG-CB 3.77Å; R191-F237 HydrophobicContact CG-CG 4.2Å; F194-F237 HydrophobicContact CB-CD2 4.01Å; F194-F237 HydrophobicContact CB-CE2 3.45Å; F194-F237 VanDerWaalsContact CB-CE2 3.45Å; F194-F237 HydrophobicContact CB-CZ 4.23Å; F194-F237 HydrophobicContact CD1-CD2 4.07Å; F194-F237 HydrophobicContact CD1-CE2 4.11Å; F194-F237 HydrophobicContact CD2-CE2 4.22Å; F194-F237 HydrophobicContact CG-CD2 4.09Å; F194-F237 AromaticContact CG-CE2 3.66Å; F194-F237 HydrophobicContact CG-CE2 3.66Å; Q234-F237 PolarHBondContact NE2-O 3.36Å; Q234-F237 PolarHBondContact OE1-O 3.09Å; Q235-F237 VanDerWaalsContact C-N 3.31Å
238E79.8Confident86.4Confident122 Ų12244.8 Ų44.857%0.5725%0.251SS*.SBendtrans-52.9131.2171.7-172.2-173.2-167.800110.9R191 Q234R191-E238 IonicContact CZ-OE2 2.79Å; R191-E238 PolarHBondContact NE-O 3.39Å; R191-E238 IonicContact NH1-OE2 3.16Å; R191-E238 PolarHBondContact NH1-OE2 3.38Å; R191-E238 IonicContact NH2-OE2 3.38Å; R191-E238 PolarHBondContact NH2-OE2 3.16Å; Q234-E238 PolarHBondContact NE2-O 3.36Å
239P83.7Confident86.3Confident50 Ų5044.8 Ų44.833%0.32525%0.251SS..PPolyproline II helixtrans-51.8151.8-172.4-29.234.8000114.6R191 W309R191-P239 PolarHBondContact NH2-O 3.5Å; P239-W309 HydrophobicContact CB-CD2 3.7Å; P239-W309 HydrophobicContact CB-CE3 4.23Å; P239-W309 HydrophobicContact CB-CG 3.86Å; P239-W309 HydrophobicContact CB-CZ2 4.25Å; P239-W309 HydrophobicContact CG-CD2 4.06Å; P239-W309 HydrophobicContact CG-CE3 4.14Å; P239-W309 HydrophobicContact CG-CG 4.33Å
240Y86Confident86.2Confident1 Ų145.5 Ų45.50%0.00425%0.254CS..PPolyproline II helixtrans-67.2128.7174.5-162.5-90.1000109.9E176 W180 F195 L231 E242 R244 M245 L248 W309E176-Y240 PolarHBondContact OE1-OH 3.34Å; W180-Y240 AromaticContact CZ2-CE2 3.99Å; W180-Y240 HydrophobicContact CZ2-CE2 3.99Å; W180-Y240 AromaticContact NE1-CE2 3.97Å; F195-Y240 HydrophobicContact CD1-CD2 4.02Å; F195-Y240 HydrophobicContact CD2-CD2 4.03Å; F195-Y240 HydrophobicContact CD2-CE2 4.25Å; F195-Y240 AromaticContact CE1-CD2 3.96Å; F195-Y240 HydrophobicContact CE1-CD2 3.96Å; F195-Y240 AromaticContact CE2-CD2 3.93Å; F195-Y240 HydrophobicContact CE2-CD2 3.93Å; F195-Y240 HydrophobicContact CG-CD2 4.07Å; F195-Y240 HydrophobicContact CG-CE2 4.27Å; F195-Y240 AromaticContact CZ-CD2 3.92Å; F195-Y240 HydrophobicContact CZ-CD2 3.92Å; L231-Y240 HydrophobicContact CD1-CD2 4.49Å; L231-Y240 HydrophobicContact CD1-CE2 4.27Å; L231-Y240 HydrophobicContact CD2-CD2 4.25Å; L231-Y240 HydrophobicContact CD2-CE2 4.43Å; Y240-E242 PolarHBondContact O-N 2.97Å; Y240-R244 HydrophobicContact CE1-CB 3.88Å; Y240-M245 HydrophobicContact CD1-CB 4.05Å; Y240-M245 HydrophobicContact CD1-CE 3.86Å; Y240-M245 HydrophobicContact CE1-CB 4.16Å; Y240-M245 HydrophobicContact CE1-CE 4.17Å; Y240-M245 HydrophobicContact CG-CE 4.44Å; Y240-L248 HydrophobicContact CE1-CD1 4.01Å; Y240-L248 VanDerWaalsContact OH-CD1 3.31Å; Y240-L248 WeakPolarHBondContact OH-CD1 3.15Å; Y240-W309 PolarHBondContact O-NE1 3.46Å
241P85.2Confident85.9Confident36 Ų3640.8 Ų40.823%0.23423%0.233CC..PPolyproline II helixtrans-64.3132-173.9-20.931.5000112.8A243 R244 M245P241-A243 PolarHBondContact O-N 3.3Å; P241-R244 HydrophobicContact CB-CB 4.14Å; P241-R244 WeakPolarHBondContact O-CB 3.34Å; P241-R244 PolarHBondContact O-N 3.06Å; P241-M245 PolarHBondContact O-N 3.18Å
242E85Confident86Confident41 Ų4140.8 Ų40.819%0.19223%0.233CC..Hα-helixtrans-57.1-46.5-177.9-174.2173.1149.200112.6W232 Y240 R244 M245 L246 W311 Q312 G313W232-E242 HydrophobicContact CH2-CB 3.91Å; W232-E242 HydrophobicContact CH2-CG 3.99Å; W232-E242 HydrophobicContact CZ3-CB 4.43Å; Y240-E242 PolarHBondContact O-N 2.97Å; E242-R244 PolarHBondContact O-N 3.41Å; E242-M245 PolarHBondContact O-N 3.35Å; E242-M245 VanDerWaalsContact O-N 3.14Å; E242-L246 PolarHBondContact O-N 3.22Å; E242-W311 HydrophobicContact CG-CD2 4.26Å; E242-W311 HydrophobicContact CG-CE3 3.83Å; E242-W311 HydrophobicContact CG-CH2 3.97Å; E242-W311 HydrophobicContact CG-CZ2 4.39Å; E242-W311 HydrophobicContact CG-CZ3 3.69Å; E242-Q312 PolarHBondContact OE1-N 3.27Å; E242-Q312 PolarHBondContact OE2-N 2.84Å; E242-G313 PolarHBondContact OE1-N 3.48Å
243A80.9Confident86.1Confident81 Ų8140.7 Ų40.767%0.66923%0.232SC*.Hα-helixtrans-57.7-34.4178.400000112.3P241 N247P241-A243 PolarHBondContact O-N 3.3Å; A243-N247 PolarHBondContact O-N 3.32Å; A243-N247 VanDerWaalsContact O-N 3.15Å
244R84.9Confident86Confident17 Ų1742 Ų426%0.06424%0.235CC..Hα-helixtrans-77.6-38.3-180-138174.7-179.5-172.5-9.9111.6E176 Y179 W180 Y240 P241 E242 N247 L248E176-R244 VanDerWaalsContact CD-NH2 3.34Å; E176-R244 VanDerWaalsContact OE1-CD 3.28Å; E176-R244 WeakPolarHBondContact OE1-CD 3.35Å; E176-R244 IonicContact OE1-CZ 3.53Å; E176-R244 IonicContact OE1-NE 3.07Å; E176-R244 PolarHBondContact OE1-NE 2.95Å; E176-R244 IonicContact OE1-NH1 2.71Å; E176-R244 IonicContact OE1-NH2 3.45Å; E176-R244 PolarHBondContact OE1-NH2 3.37Å; E176-R244 VanDerWaalsContact OE1-NH2 3.1Å; E176-R244 IonicContact OE2-CZ 3.53Å; E176-R244 IonicContact OE2-NE 3.96Å; E176-R244 PolarHBondContact OE2-NE 3.47Å; E176-R244 IonicContact OE2-NH2 2.74Å; E176-R244 PolarHBondContact OE2-NH2 3.02Å; Y179-R244 VanDerWaalsContact CE1-CZ 3.44Å; W180-R244 VanDerWaalsContact CE2-NH1 3.32Å; Y240-R244 HydrophobicContact CE1-CB 3.88Å; P241-R244 HydrophobicContact CB-CB 4.14Å; P241-R244 WeakPolarHBondContact O-CB 3.34Å; P241-R244 PolarHBondContact O-N 3.06Å; E242-R244 PolarHBondContact O-N 3.41Å; R244-N247 WeakPolarHBondContact O-CB 3.45Å; R244-N247 PolarHBondContact O-N 2.87Å; R244-L248 WeakPolarHBondContact O-CG 3.49Å; R244-L248 PolarHBondContact O-N 2.78Å
245M89.7Confident85.9Confident0 Ų043.6 Ų43.60%024%0.243CC..Hα-helixtrans-64-41.7172.9-174.55976.700111.5F228 L231 W232 Y240 P241 E242 N247 L248 L249 W303 W311F228-M245 HydrophobicContact CB-CE 4.32Å; F228-M245 HydrophobicContact CB-SD 4.08Å; F228-M245 HydrophobicContact CD2-SD 4.04Å; F228-M245 HydrophobicContact CG-SD 3.96Å; L231-M245 HydrophobicContact CB-CE 3.87Å; L231-M245 HydrophobicContact CD1-CE 4.14Å; W232-M245 HydrophobicContact CE3-CB 4.1Å; W232-M245 HydrophobicContact CE3-CE 4.04Å; W232-M245 HydrophobicContact CE3-CG 3.92Å; W232-M245 HydrophobicContact CZ3-CB 3.78Å; W232-M245 HydrophobicContact CZ3-CG 4.02Å; Y240-M245 HydrophobicContact CD1-CB 4.05Å; Y240-M245 HydrophobicContact CD1-CE 3.86Å; Y240-M245 HydrophobicContact CE1-CB 4.16Å; Y240-M245 HydrophobicContact CE1-CE 4.17Å; Y240-M245 HydrophobicContact CG-CE 4.44Å; P241-M245 PolarHBondContact O-N 3.18Å; E242-M245 PolarHBondContact O-N 3.35Å; E242-M245 VanDerWaalsContact O-N 3.14Å; M245-N247 VanDerWaalsContact C-N 3.28Å; M245-N247 PolarHBondContact O-N 2.89Å; M245-L248 WeakPolarHBondContact O-CB 3.37Å; M245-L248 PolarHBondContact O-N 3.1Å; M245-L248 VanDerWaalsContact O-N 3.1Å; M245-L248 HydrophobicContact SD-CD1 4.24Å; M245-L249 WeakPolarHBondContact O-CG 3.27Å; M245-L249 PolarHBondContact O-N 2.86Å; M245-W303 HydrophobicContact CG-CH2 3.79Å; M245-W303 HydrophobicContact CG-CZ3 3.82Å; M245-W303 HydrophobicContact SD-CH2 3.96Å; M245-W311 HydrophobicContact CB-CZ3 4.13Å; M245-W311 HydrophobicContact CG-CZ3 4.02Å
246L88.3Confident86.2Confident58 Ų5836.8 Ų36.830%0.30421%0.211SC..Hα-helixtrans-58.5-42.3173.1-178.263.9000111.5E242 L249 Q250 W311 Y316E242-L246 PolarHBondContact O-N 3.22Å; L246-L249 PolarHBondContact O-N 3.2Å; L246-Q250 WeakPolarHBondContact O-CG 3.49Å; L246-Q250 PolarHBondContact O-N 3.48Å; L246-W311 HydrophobicContact CB-CH2 4.02Å; L246-W311 HydrophobicContact CD1-CH2 4.42Å; L246-W311 HydrophobicContact CD1-CZ2 4.25Å; L246-Y316 HydrophobicContact CD1-CD2 3.65Å; L246-Y316 HydrophobicContact CD1-CE2 3.97Å; L246-Y316 HydrophobicContact CD1-CG 4.27Å
247N83.6Confident86.5Confident34 Ų3433.9 Ų33.918%0.18219%0.185CC..Hα-helixtrans-62.2-41.3174.2-170.145.3000111.7F170 A243 R244 M245 L249 Q250 V251F170-N247 PolarHBondContact O-ND2 3.27Å; A243-N247 PolarHBondContact O-N 3.32Å; A243-N247 VanDerWaalsContact O-N 3.15Å; R244-N247 WeakPolarHBondContact O-CB 3.45Å; R244-N247 PolarHBondContact O-N 2.87Å; M245-N247 VanDerWaalsContact C-N 3.28Å; M245-N247 PolarHBondContact O-N 2.89Å; N247-L249 PolarHBondContact O-N 3.12Å; N247-Q250 WeakPolarHBondContact O-CB 3.3Å; N247-Q250 PolarHBondContact O-N 2.64Å; N247-V251 WeakPolarHBondContact O-CB 3.42Å; N247-V251 VanDerWaalsContact O-CG2 3.27Å; N247-V251 WeakPolarHBondContact O-CG2 3.47Å; N247-V251 PolarHBondContact O-N 3.28Å
248L89Confident86.5Confident2 Ų234.3 Ų34.31%0.0120%0.195CC..Hα-helixtrans-61.5-43.1175.6-64.2-178.2000112.6L173 E176 L199 F228 L231 Y240 R244 M245 Q250 V251 V252L173-L248 HydrophobicContact CD2-CD2 3.76Å; E176-L248 HydrophobicContact CB-CD2 4.13Å; E176-L248 HydrophobicContact CG-CD2 3.89Å; L199-L248 HydrophobicContact CD1-CD1 4.44Å; L199-L248 HydrophobicContact CD2-CD1 4.41Å; F228-L248 HydrophobicContact CE1-CB 4.27Å; F228-L248 HydrophobicContact CE1-CD1 4.04Å; F228-L248 HydrophobicContact CE2-CB 3.98Å; F228-L248 HydrophobicContact CZ-CB 3.66Å; F228-L248 HydrophobicContact CZ-CD1 4.28Å; L231-L248 HydrophobicContact CD1-CD1 4.39Å; Y240-L248 HydrophobicContact CE1-CD1 4.01Å; Y240-L248 VanDerWaalsContact OH-CD1 3.31Å; Y240-L248 WeakPolarHBondContact OH-CD1 3.15Å; R244-L248 WeakPolarHBondContact O-CG 3.49Å; R244-L248 PolarHBondContact O-N 2.78Å; M245-L248 WeakPolarHBondContact O-CB 3.37Å; M245-L248 PolarHBondContact O-N 3.1Å; M245-L248 VanDerWaalsContact O-N 3.1Å; M245-L248 HydrophobicContact SD-CD1 4.24Å; L248-Q250 VanDerWaalsContact C-N 3.29Å; L248-Q250 PolarHBondContact O-N 3.32Å; L248-V251 PolarHBondContact O-N 3.39Å; L248-V252 WeakPolarHBondContact O-CG2 3.04Å; L248-V252 PolarHBondContact O-N 3.15Å
249L91.4Very high86.9Confident0 Ų028.7 Ų28.70%017%0.168CC..Hα-helixtrans-58.9-42.4174.8-66.2175.4000111.5F228 M245 L246 N247 E253 W291 T299 W303 W311 Y316F228-L249 HydrophobicContact CD2-CD2 3.77Å; F228-L249 HydrophobicContact CE2-CD2 3.92Å; M245-L249 WeakPolarHBondContact O-CG 3.27Å; M245-L249 PolarHBondContact O-N 2.86Å; L246-L249 PolarHBondContact O-N 3.2Å; N247-L249 PolarHBondContact O-N 3.12Å; L249-E253 WeakPolarHBondContact O-CB 3.36Å; L249-E253 PolarHBondContact O-N 3.48Å; L249-W291 HydrophobicContact CD2-CH2 4.28Å; L249-W291 HydrophobicContact CD2-CZ2 3.85Å; L249-T299 HydrophobicContact CD1-CG2 3.86Å; L249-W303 HydrophobicContact CD1-CZ3 4.3Å; L249-W311 HydrophobicContact CD1-CH2 4.39Å; L249-Y316 HydrophobicContact CB-CD1 4.17Å; L249-Y316 HydrophobicContact CB-CE1 4.24Å; L249-Y316 HydrophobicContact CD1-CD1 4.33Å; L249-Y316 HydrophobicContact CD1-CG 4.48Å
250Q88.5Confident87.1Confident70 Ų7026.3 Ų26.333%0.32715%0.153SC..Hα-helixtrans-67.4-39.3176.3-73.9173.8900112.6L246 N247 L248 E253 N254 Y316L246-Q250 WeakPolarHBondContact O-CG 3.49Å; L246-Q250 PolarHBondContact O-N 3.48Å; N247-Q250 WeakPolarHBondContact O-CB 3.3Å; N247-Q250 PolarHBondContact O-N 2.64Å; L248-Q250 VanDerWaalsContact C-N 3.29Å; L248-Q250 PolarHBondContact O-N 3.32Å; Q250-E253 WeakPolarHBondContact O-CB 3.07Å; Q250-E253 PolarHBondContact O-N 3.3Å; Q250-N254 WeakPolarHBondContact O-CB 3.31Å; Q250-N254 PolarHBondContact O-N 3.48Å; Q250-N254 PolarHBondContact O-ND2 2.78Å; Q250-Y316 HydrophobicContact CG-CE2 4.2Å; Q250-Y316 VanDerWaalsContact CG-OH 3.24Å; Q250-Y316 WeakPolarHBondContact CG-OH 3.49Å
251V85.3Confident87.1Confident6 Ų628 Ų284%0.03616%0.161CC..Hα-helixtrans-61.9-48.5175.6167.40000109.8L173 N247 L248 E253 N254 Q255L173-V251 HydrophobicContact CG-CG1 4.49Å; N247-V251 WeakPolarHBondContact O-CB 3.42Å; N247-V251 VanDerWaalsContact O-CG2 3.27Å; N247-V251 WeakPolarHBondContact O-CG2 3.47Å; N247-V251 PolarHBondContact O-N 3.28Å; L248-V251 PolarHBondContact O-N 3.39Å; V251-E253 PolarHBondContact O-N 2.91Å; V251-N254 PolarHBondContact O-N 3.23Å; V251-Q255 HydrophobicContact CG1-CG 4.35Å; V251-Q255 VanDerWaalsContact O-CG 3.24Å; V251-Q255 WeakPolarHBondContact O-CG 3.38Å; V251-Q255 PolarHBondContact O-N 2.81Å
252V90.6Very high86.9Confident0 Ų029 Ų290%017%0.169CC..Hα-helixtrans-62.8-43.3177.3177.50000110.9L173 F206 M221 T224 F228 L248 N254 Q255 I256 W291L173-V252 HydrophobicContact CD1-CG2 4.29Å; F206-V252 HydrophobicContact CE1-CG1 4.26Å; F206-V252 HydrophobicContact CE1-CG2 4.3Å; F206-V252 HydrophobicContact CZ-CB 4.45Å; F206-V252 HydrophobicContact CZ-CG1 3.92Å; F206-V252 HydrophobicContact CZ-CG2 3.93Å; M221-V252 HydrophobicContact CE-CG1 4.42Å; M221-V252 HydrophobicContact SD-CG1 3.82Å; T224-V252 HydrophobicContact CG2-CG2 3.94Å; F228-V252 HydrophobicContact CE2-CG2 4.04Å; F228-V252 HydrophobicContact CZ-CG2 3.77Å; L248-V252 WeakPolarHBondContact O-CG2 3.04Å; L248-V252 PolarHBondContact O-N 3.15Å; V252-N254 VanDerWaalsContact C-N 3.29Å; V252-N254 PolarHBondContact O-N 3.42Å; V252-Q255 PolarHBondContact O-N 3.06Å; V252-Q255 VanDerWaalsContact O-N 3.16Å; V252-I256 HydrophobicContact CG1-CD1 3.95Å; V252-I256 HydrophobicContact CG1-CG1 4.3Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.17Å; V252-I256 PolarHBondContact O-N 2.65Å; V252-W291 HydrophobicContact CB-CH2 4.23Å; V252-W291 HydrophobicContact CB-CZ2 3.53Å; V252-W291 HydrophobicContact CG1-CD2 3.86Å; V252-W291 HydrophobicContact CG1-CE3 4.27Å; V252-W291 HydrophobicContact CG1-CH2 3.85Å; V252-W291 HydrophobicContact CG1-CZ2 3.38Å; V252-W291 HydrophobicContact CG1-CZ3 4.27Å; V252-W291 HydrophobicContact CG2-CH2 4.37Å; V252-W291 HydrophobicContact CG2-CZ2 4.07Å
253E91.7Very high86.8Confident2 Ų231 Ų311%0.00918%0.175CC..Hα-helixtrans-53.4-47.6173.5-172.3-174.4-175.400111.4L249 Q250 V251 Q255 I256 V257 Y316 C318 R320 L321L249-E253 WeakPolarHBondContact O-CB 3.36Å; L249-E253 PolarHBondContact O-N 3.48Å; Q250-E253 WeakPolarHBondContact O-CB 3.07Å; Q250-E253 PolarHBondContact O-N 3.3Å; V251-E253 PolarHBondContact O-N 2.91Å; E253-Q255 PolarHBondContact O-N 3.04Å; E253-I256 PolarHBondContact O-N 3.3Å; E253-V257 WeakPolarHBondContact O-CB 3.32Å; E253-V257 VanDerWaalsContact O-CG2 3.25Å; E253-V257 WeakPolarHBondContact O-CG2 3.12Å; E253-V257 PolarHBondContact O-N 2.96Å; E253-Y316 PolarHBondContact OE2-OH 3.19Å; E253-C318 HydrophobicContact CG-CB 4.41Å; E253-C318 WeakPolarHBondContact OE1-CA 3.35Å; E253-R320 HydrophobicContact CG-CB 4.5Å; E253-R320 VanDerWaalsContact OE1-CA 3.32Å; E253-R320 WeakPolarHBondContact OE1-CA 3.39Å; E253-R320 WeakPolarHBondContact OE1-CB 3.3Å; E253-R320 PolarHBondContact OE1-N 2.99Å; E253-L321 HydrophobicContact CB-CD1 4.39Å; E253-L321 HydrophobicContact CG-CB 4.32Å; E253-L321 HydrophobicContact CG-CD1 3.71Å; E253-L321 HydrophobicContact CG-CG 3.6Å; E253-L321 PolarHBondContact OE1-N 3.34Å
254N85.2Confident87Confident57 Ų5727.2 Ų27.231%0.30514%0.143SC..Hα-helixtrans-67.2-36.1179.9-67.7-30.9000112.8Q250 V251 V252 V257 S258 R320Q250-N254 WeakPolarHBondContact O-CB 3.31Å; Q250-N254 PolarHBondContact O-N 3.48Å; Q250-N254 PolarHBondContact O-ND2 2.78Å; V251-N254 PolarHBondContact O-N 3.23Å; V252-N254 VanDerWaalsContact C-N 3.29Å; V252-N254 PolarHBondContact O-N 3.42Å; N254-V257 PolarHBondContact O-N 3.19Å; N254-S258 VanDerWaalsContact O-CB 3.3Å; N254-S258 WeakPolarHBondContact O-CB 3.17Å; N254-S258 PolarHBondContact O-N 2.79Å; N254-R320 VanDerWaalsContact CG-NH1 3.34Å; N254-R320 PolarHBondContact ND2-NH1 3.39Å; N254-R320 WeakPolarHBondContact OD1-CD 3.12Å; N254-R320 PolarHBondContact OD1-NH1 2.94Å
255Q86Confident86.7Confident57 Ų5734.9 Ų34.927%0.26617%0.172SC..Hα-helixtrans-67.3-41.2176.1-70.5-68.7-11.600111.3F206 L209 V251 V252 E253 S258 L259F206-Q255 HydrophobicContact CD1-CB 4.07Å; F206-Q255 HydrophobicContact CD1-CG 4.11Å; F206-Q255 HydrophobicContact CE1-CB 3.88Å; F206-Q255 HydrophobicContact CE1-CG 4.27Å; L209-Q255 HydrophobicContact CD2-CB 3.78Å; V251-Q255 HydrophobicContact CG1-CG 4.35Å; V251-Q255 VanDerWaalsContact O-CG 3.24Å; V251-Q255 WeakPolarHBondContact O-CG 3.38Å; V251-Q255 PolarHBondContact O-N 2.81Å; V252-Q255 PolarHBondContact O-N 3.06Å; V252-Q255 VanDerWaalsContact O-N 3.16Å; E253-Q255 PolarHBondContact O-N 3.04Å; Q255-S258 PolarHBondContact O-N 2.91Å; Q255-L259 WeakPolarHBondContact O-CB 3.33Å; Q255-L259 PolarHBondContact O-N 3.35Å
256I90.3Very high85.9Confident1 Ų140.4 Ų40.41%0.00521%0.205CC..Hα-helixtrans-63.9-46.5173.3-62166.6000110.2M221 V252 E253 S258 L259 V260 L287 W291 L321M221-I256 HydrophobicContact CG-CD1 4.45Å; M221-I256 HydrophobicContact SD-CD1 3.5Å; M221-I256 WeakPolarHBondContact SD-CD1 3.47Å; M221-I256 HydrophobicContact SD-CG1 3.87Å; V252-I256 HydrophobicContact CG1-CD1 3.95Å; V252-I256 HydrophobicContact CG1-CG1 4.3Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.17Å; V252-I256 PolarHBondContact O-N 2.65Å; E253-I256 PolarHBondContact O-N 3.3Å; I256-S258 VanDerWaalsContact C-N 3.28Å; I256-S258 PolarHBondContact O-N 2.95Å; I256-L259 WeakPolarHBondContact O-CB 3.3Å; I256-L259 PolarHBondContact O-N 3.32Å; I256-V260 HydrophobicContact CG2-CG2 4.21Å; I256-V260 WeakPolarHBondContact O-CB 3.32Å; I256-V260 VanDerWaalsContact O-CG2 3.28Å; I256-V260 WeakPolarHBondContact O-CG2 3.29Å; I256-V260 PolarHBondContact O-N 3.42Å; I256-L287 HydrophobicContact CG2-CD2 4.04Å; I256-L287 HydrophobicContact CG2-CG 4.12Å; I256-W291 HydrophobicContact CD1-CB 3.48Å; I256-W291 VanDerWaalsContact CD1-CB 3.48Å; I256-W291 VanDerWaalsContact CD1-CD1 3.48Å; I256-W291 HydrophobicContact CD1-CD2 4.02Å; I256-W291 HydrophobicContact CD1-CG 3.34Å; I256-L321 HydrophobicContact CB-CD2 4.16Å; I256-L321 HydrophobicContact CD1-CD1 4.16Å; I256-L321 HydrophobicContact CG2-CD2 3.67Å
257V88.4Confident85.4Confident21 Ų2138.5 Ų38.513%0.12720%0.195CC..Hα-helixtrans-57.7-43.5176.5169.20000110.6E253 N254 V260 H261 R320 L321 L324E253-V257 WeakPolarHBondContact O-CB 3.32Å; E253-V257 VanDerWaalsContact O-CG2 3.25Å; E253-V257 WeakPolarHBondContact O-CG2 3.12Å; E253-V257 PolarHBondContact O-N 2.96Å; N254-V257 PolarHBondContact O-N 3.19Å; V257-V260 PolarHBondContact O-N 3.33Å; V257-H261 VanDerWaalsContact CG1-CD2 3.45Å; V257-H261 WeakPolarHBondContact CG1-CD2 3.19Å; V257-H261 WeakPolarHBondContact CG1-NE2 3.24Å; V257-H261 WeakPolarHBondContact O-CB 3.27Å; V257-H261 PolarHBondContact O-CD2 3.33Å; V257-H261 VanDerWaalsContact O-CG 3.28Å; V257-H261 PolarHBondContact O-N 3.01Å; V257-R320 HydrophobicContact CG2-CB 4.32Å; V257-L321 HydrophobicContact CG2-CD2 3.72Å; V257-L321 HydrophobicContact CG2-CG 4.08Å; V257-L324 HydrophobicContact CB-CD2 4.43Å; V257-L324 HydrophobicContact CG1-CD2 4.4Å; V257-L324 HydrophobicContact CG2-CD2 4.08Å
258S83.7Confident85.1Confident65 Ų6543.5 Ų43.546%0.45522%0.215SC..Hα-helixtrans-64.6-42.2176.3-172.30000112.7N254 Q255 I256 H261 S262N254-S258 VanDerWaalsContact O-CB 3.3Å; N254-S258 WeakPolarHBondContact O-CB 3.17Å; N254-S258 PolarHBondContact O-N 2.79Å; Q255-S258 PolarHBondContact O-N 2.91Å; I256-S258 VanDerWaalsContact C-N 3.28Å; I256-S258 PolarHBondContact O-N 2.95Å; S258-H261 PolarHBondContact O-N 3.45Å; S258-S262 VanDerWaalsContact O-CB 3.31Å; S258-S262 WeakPolarHBondContact O-CB 3.41Å; S258-S262 PolarHBondContact O-N 2.98Å; S258-S262 PolarHBondContact O-OG 3.1Å
259L86.9Confident84.5Confident4 Ų444 Ų442%0.02122%0.217CC..Hα-helixtrans-61-48.7175.2177.764.2000111.2L209 F214 A217 Q255 I256 S262 R263 L287L209-L259 HydrophobicContact CD1-CD2 3.92Å; L209-L259 HydrophobicContact CD2-CB 4.37Å; L209-L259 HydrophobicContact CG-CB 4.43Å; L209-L259 HydrophobicContact CG-CD1 4.41Å; L209-L259 HydrophobicContact CG-CD2 4.07Å; L209-L259 WeakPolarHBondContact O-CD1 3.5Å; F214-L259 HydrophobicContact CD1-CD2 4.41Å; F214-L259 HydrophobicContact CE1-CG 4.33Å; A217-L259 HydrophobicContact CB-CD2 3.73Å; Q255-L259 WeakPolarHBondContact O-CB 3.33Å; Q255-L259 PolarHBondContact O-N 3.35Å; I256-L259 WeakPolarHBondContact O-CB 3.3Å; I256-L259 PolarHBondContact O-N 3.32Å; L259-S262 WeakPolarHBondContact CA-OG 3.22Å; L259-S262 PolarHBondContact O-N 2.87Å; L259-S262 PolarHBondContact O-OG 3.22Å; L259-R263 HydrophobicContact CD1-CG 4.1Å; L259-R263 PolarHBondContact O-N 3.33Å; L259-L287 HydrophobicContact CD2-CD2 4.05Å
260V89Confident83.7Confident0 Ų044.4 Ų44.40%022%0.219CC..Hα-helixtrans-63.5-44.3179174.30000110.2F214 I256 V257 L264 A284 L324 L328F214-V260 HydrophobicContact CE1-CG2 4.03Å; I256-V260 HydrophobicContact CG2-CG2 4.21Å; I256-V260 WeakPolarHBondContact O-CB 3.32Å; I256-V260 VanDerWaalsContact O-CG2 3.28Å; I256-V260 WeakPolarHBondContact O-CG2 3.29Å; I256-V260 PolarHBondContact O-N 3.42Å; V257-V260 PolarHBondContact O-N 3.33Å; V260-L264 HydrophobicContact CG1-CD1 3.58Å; V260-L264 HydrophobicContact CG1-CG 4.28Å; V260-L264 WeakPolarHBondContact O-CB 2.88Å; V260-L264 VanDerWaalsContact O-CG 3.24Å; V260-L264 WeakPolarHBondContact O-CG 3.48Å; V260-L264 PolarHBondContact O-N 3.48Å; V260-A284 HydrophobicContact CG1-CB 4.28Å; V260-A284 HydrophobicContact CG2-CB 4.33Å; V260-L324 HydrophobicContact CB-CD2 3.99Å; V260-L324 HydrophobicContact CG1-CD1 4.49Å; V260-L324 HydrophobicContact CG1-CD2 3.79Å; V260-L324 HydrophobicContact CG1-CG 4.39Å; V260-L324 HydrophobicContact CG2-CD2 4.5Å; V260-L328 HydrophobicContact CG1-CD1 4Å
261H84.8Confident83.2Confident37 Ų3747 Ų4717%0.17124%0.235CC..Hα-helixtrans-61.1-49.9175.2-77.3-35.5000112.5V257 S258 L264 R265 L366V257-H261 VanDerWaalsContact CG1-CD2 3.45Å; V257-H261 WeakPolarHBondContact CG1-CD2 3.19Å; V257-H261 WeakPolarHBondContact CG1-NE2 3.24Å; V257-H261 WeakPolarHBondContact O-CB 3.27Å; V257-H261 PolarHBondContact O-CD2 3.33Å; V257-H261 VanDerWaalsContact O-CG 3.28Å; V257-H261 PolarHBondContact O-N 3.01Å; S258-H261 PolarHBondContact O-N 3.45Å; H261-L264 PolarHBondContact O-N 2.76Å; H261-R265 WeakPolarHBondContact O-CB 3.5Å; H261-R265 PolarHBondContact O-N 3.48Å; H261-L366 PolarHBondContact CE1-O 2.83Å
262S81.3Confident82.8Confident57 Ų5749.4 Ų49.440%0.39925%0.246SC..Hα-helixtrans-63.3-44.7-176.755.80000112.4S258 L259S258-S262 VanDerWaalsContact O-CB 3.31Å; S258-S262 WeakPolarHBondContact O-CB 3.41Å; S258-S262 PolarHBondContact O-N 2.98Å; S258-S262 PolarHBondContact O-OG 3.1Å; L259-S262 WeakPolarHBondContact CA-OG 3.22Å; L259-S262 PolarHBondContact O-N 2.87Å; L259-S262 PolarHBondContact O-OG 3.22Å
263R82.5Confident82.4Confident83 Ų8357.8 Ų57.831%0.31328%0.283SS..Hα-helixtrans-71.3-38.4178.7-67.3-166.184104.44.8113S211 M212 F214 L259 T266S211-R263 PolarHBondContact O-NH1 3.04Å; M212-R263 PolarHBondContact O-NH1 2.93Å; F214-R263 HydrophobicContact CZ-CB 3.93Å; F214-R263 HydrophobicContact CZ-CG 4.47Å; L259-R263 HydrophobicContact CD1-CG 4.1Å; L259-R263 PolarHBondContact O-N 3.33Å; R263-T266 PolarHBondContact O-OG1 3.35Å
264L85.5Confident82Confident0 Ų058.7 Ų58.70%029%0.287CS..Hα-helixtrans-84.3-11.8-179-60.6-178.7000113.4V260 H261 T266 L267 F269 Q280 L281 A284 L328 L366V260-L264 HydrophobicContact CG1-CD1 3.58Å; V260-L264 HydrophobicContact CG1-CG 4.28Å; V260-L264 WeakPolarHBondContact O-CB 2.88Å; V260-L264 VanDerWaalsContact O-CG 3.24Å; V260-L264 WeakPolarHBondContact O-CG 3.48Å; V260-L264 PolarHBondContact O-N 3.48Å; H261-L264 PolarHBondContact O-N 2.76Å; L264-T266 PolarHBondContact O-N 3.49Å; L264-L267 HydrophobicContact CD2-CD1 3.71Å; L264-L267 WeakPolarHBondContact O-CB 3.37Å; L264-L267 PolarHBondContact O-N 3.32Å; L264-L267 VanDerWaalsContact O-N 3.13Å; L264-F269 HydrophobicContact CB-CZ 4.15Å; L264-Q280 HydrophobicContact CD2-CB 4.05Å; L264-L281 HydrophobicContact CD1-CD2 3.62Å; L264-L281 HydrophobicContact CD2-CD2 4.17Å; L264-A284 HydrophobicContact CD1-CB 4.37Å; L264-L328 HydrophobicContact CD1-CD1 4.45Å; L264-L328 HydrophobicContact CD1-CD2 3.69Å; L264-L366 HydrophobicContact CB-CD1 3.58Å; L264-L366 HydrophobicContact CB-CD2 4.29Å; L264-L366 HydrophobicContact CD1-CD2 4.09Å
265R78.4Confident82.1Confident179 Ų17959.1 Ų59.168%0.67530%0.298SS*.THydrogen-bonded Turntrans-60.3-32-179.6-177.2174.7-176.6-173.60.6113.2H261H261-R265 WeakPolarHBondContact O-CB 3.5Å; H261-R265 PolarHBondContact O-N 3.48Å
266T74.6Confident82Confident115 Ų11559.8 Ų59.871%0.70630%0.303SS*.THydrogen-bonded Turntrans-80.6-18.2-179.852.40000113.1R263 L264 K268R263-T266 PolarHBondContact O-OG1 3.35Å; L264-T266 PolarHBondContact O-N 3.49Å; T266-K268 PolarHBondContact O-N 2.79Å
267L76.3Confident81.9Confident18 Ų1859.8 Ų59.89%0.09430%0.303CS..  trans-75.5123.5-177.6-92.3122.9000111.4L264 F269 E272 V277 Q280L264-L267 HydrophobicContact CD2-CD1 3.71Å; L264-L267 WeakPolarHBondContact O-CB 3.37Å; L264-L267 PolarHBondContact O-N 3.32Å; L264-L267 VanDerWaalsContact O-N 3.13Å; L267-F269 HydrophobicContact CB-CE1 4.44Å; L267-F269 PolarHBondContact O-N 3.11Å; L267-E272 WeakPolarHBondContact CD2-OE2 3.24Å; L267-V277 HydrophobicContact CD2-CG2 4.37Å; L267-Q280 HydrophobicContact CD1-CB 3.76Å; L267-Q280 HydrophobicContact CD1-CG 3.78Å; L267-Q280 HydrophobicContact CD2-CB 4.1Å; L267-Q280 HydrophobicContact CD2-CG 3.98Å; L267-Q280 HydrophobicContact CG-CG 4.47Å
268K77.8Confident81.8Confident139 Ų13964 Ų6460%0.60432%0.317SS*.  trans-8882170.9-64.4-178.5-177.6177.20109.3T266 W270 N271 E272T266-K268 PolarHBondContact O-N 2.79Å; K268-W270 PolarHBondContact O-N 2.7Å; K268-N271 HydrophobicContact CB-CB 4.14Å; K268-N271 PolarHBondContact O-N 2.81Å; K268-E272 HydrophobicContact CB-CG 4.34Å; K268-E272 PolarHBondContact N-OE1 2.98Å; K268-E272 PolarHBondContact O-N 3.03Å
269F76.5Confident82Confident12 Ų1267.1 Ų67.15%0.05332%0.324CS..THydrogen-bonded Turntrans-42-37.5-174.8-60-75.7000115L264 L267 V277 L281 C335 P365 L366L264-F269 HydrophobicContact CB-CZ 4.15Å; L267-F269 HydrophobicContact CB-CE1 4.44Å; L267-F269 PolarHBondContact O-N 3.11Å; F269-V277 HydrophobicContact CD1-CG1 3.99Å; F269-L281 HydrophobicContact CD1-CD1 4.43Å; F269-L281 HydrophobicContact CE1-CD1 4.44Å; F269-L281 HydrophobicContact CE1-CD2 3.95Å; F269-L281 HydrophobicContact CE1-CG 4.42Å; F269-C335 PolarHBondContact O-SG 3.36Å; F269-C335 VanDerWaalsContact O-SG 3.41Å; F269-P365 HydrophobicContact CD2-CG 3.83Å; F269-P365 HydrophobicContact CE2-CG 3.94Å; F269-L366 HydrophobicContact CE2-CD1 4.29Å; F269-L366 HydrophobicContact CE2-CD2 4.26Å; F269-L366 HydrophobicContact CE2-CG 4.01Å; F269-L366 HydrophobicContact CZ-CD1 4.05Å; F269-L366 HydrophobicContact CZ-CD2 3.73Å; F269-L366 HydrophobicContact CZ-CG 3.9Å
270W75.3Confident82Confident9 Ų969.7 Ų69.73%0.03434%0.336CS..THydrogen-bonded Turntrans-92-26.1-176.2-148.7-119.1000115.5K268 L334 K338 M353 W357 I380 F384K268-W270 PolarHBondContact O-N 2.7Å; W270-L334 HydrophobicContact CZ3-CB 4.3Å; W270-K338 HydrophobicContact CD2-CD 3.68Å; W270-K338 HydrophobicContact CE3-CD 4.05Å; W270-K338 HydrophobicContact CG-CD 4.27Å; W270-K338 HydrophobicContact CH2-CB 3.63Å; W270-K338 HydrophobicContact CH2-CD 3.99Å; W270-K338 HydrophobicContact CH2-CG 3.87Å; W270-K338 HydrophobicContact CZ2-CB 3.9Å; W270-K338 HydrophobicContact CZ2-CD 3.57Å; W270-K338 HydrophobicContact CZ2-CG 3.57Å; W270-K338 HydrophobicContact CZ3-CB 4.03Å; W270-K338 HydrophobicContact CZ3-CD 4.19Å; W270-K338 HydrophobicContact CZ3-CG 4.44Å; W270-K338 VanDerWaalsContact NE1-CE 3.34Å; W270-K338 PolarHBondContact O-NZ 3.34Å; W270-M353 PolarHBondContact NE1-O 2.85Å; W270-W357 HydrophobicContact CB-CB 4.07Å; W270-W357 VanDerWaalsContact CB-CD1 3.43Å; W270-W357 HydrophobicContact CB-CD2 3.97Å; W270-W357 HydrophobicContact CB-CG 3.56Å; W270-W357 AromaticContact CD1-CG 3.69Å; W270-W357 HydrophobicContact CD2-CB 3.92Å; W270-W357 AromaticContact CD2-CD2 3.4Å; W270-W357 HydrophobicContact CD2-CD2 3.4Å; W270-W357 AromaticContact CD2-CE3 3.43Å; W270-W357 HydrophobicContact CD2-CE3 3.43Å; W270-W357 VanDerWaalsContact CD2-CE3 3.43Å; W270-W357 AromaticContact CD2-CG 3.64Å; W270-W357 HydrophobicContact CD2-CG 3.64Å; W270-W357 HydrophobicContact CD2-CZ3 4.05Å; W270-W357 AromaticContact CE2-CD2 3.93Å; W270-W357 AromaticContact CE2-CE3 3.62Å; W270-W357 AromaticContact CE3-CD2 3.5Å; W270-W357 HydrophobicContact CE3-CD2 3.5Å; W270-W357 VanDerWaalsContact CE3-CD2 3.5Å; W270-W357 AromaticContact CE3-CE2 3.79Å; W270-W357 AromaticContact CE3-CE3 3.31Å; W270-W357 HydrophobicContact CE3-CE3 3.31Å; W270-W357 HydrophobicContact CE3-CG 4.21Å; W270-W357 AromaticContact CE3-CH2 3.71Å; W270-W357 HydrophobicContact CE3-CH2 3.71Å; W270-W357 AromaticContact CE3-CZ2 3.92Å; W270-W357 HydrophobicContact CE3-CZ2 3.92Å; W270-W357 AromaticContact CE3-CZ3 3.41Å; W270-W357 HydrophobicContact CE3-CZ3 3.41Å; W270-W357 VanDerWaalsContact CE3-CZ3 3.41Å; W270-W357 HydrophobicContact CG-CB 3.52Å; W270-W357 AromaticContact CG-CD1 3.8Å; W270-W357 AromaticContact CG-CD2 3.67Å; W270-W357 HydrophobicContact CG-CD2 3.67Å; W270-W357 HydrophobicContact CG-CE3 4.19Å; W270-W357 AromaticContact CG-CG 3.36Å; W270-W357 HydrophobicContact CG-CG 3.36Å; W270-W357 HydrophobicContact CH2-CD2 4.48Å; W270-W357 AromaticContact CH2-CE3 3.53Å; W270-W357 HydrophobicContact CH2-CE3 3.53Å; W270-W357 HydrophobicContact CH2-CH2 4.41Å; W270-W357 AromaticContact CH2-CZ3 3.48Å; W270-W357 HydrophobicContact CH2-CZ3 3.48Å; W270-W357 VanDerWaalsContact CH2-CZ3 3.48Å; W270-W357 HydrophobicContact CZ2-CD2 4.44Å; W270-W357 AromaticContact CZ2-CE3 3.68Å; W270-W357 HydrophobicContact CZ2-CE3 3.68Å; W270-W357 HydrophobicContact CZ2-CZ3 4.13Å; W270-W357 HydrophobicContact CZ3-CD2 4.07Å; W270-W357 AromaticContact CZ3-CE3 3.37Å; W270-W357 HydrophobicContact CZ3-CE3 3.37Å; W270-W357 AromaticContact CZ3-CH2 3.62Å; W270-W357 HydrophobicContact CZ3-CH2 3.62Å; W270-W357 HydrophobicContact CZ3-CZ2 4.31Å; W270-W357 AromaticContact CZ3-CZ3 3.1Å; W270-W357 HydrophobicContact CZ3-CZ3 3.1Å; W270-I380 HydrophobicContact CH2-CG2 4.36Å; W270-F384 HydrophobicContact CH2-CE2 4.38Å; W270-F384 AromaticContact CH2-CZ 3.67Å; W270-F384 HydrophobicContact CH2-CZ 3.67Å; W270-F384 HydrophobicContact CZ2-CZ 4.09Å
271N76.2Confident82Confident124 Ų12469.7 Ų69.766%0.66334%0.336SS*.THydrogen-bonded Turntrans-100.1-19.9-171.6-64-10000112.1K268K268-N271 HydrophobicContact CB-CB 4.14Å; K268-N271 PolarHBondContact O-N 2.81Å
272E78.2Confident82.3Confident58 Ų5871.3 Ų71.327%0.27135%0.346SS..SBendtrans-82160.5175.1-73.7176.3-147.700111.8L267 K268 H274 L276 V277L267-E272 WeakPolarHBondContact CD2-OE2 3.24Å; K268-E272 HydrophobicContact CB-CG 4.34Å; K268-E272 PolarHBondContact N-OE1 2.98Å; K268-E272 PolarHBondContact O-N 3.03Å; E272-H274 PolarHBondContact O-N 3.45Å; E272-L276 HydrophobicContact CB-CD2 4.44Å; E272-L276 HydrophobicContact CG-CD2 4.4Å; E272-L276 WeakPolarHBondContact OE2-CD2 3.36Å; E272-V277 HydrophobicContact CB-CG2 4.09Å
273K82.6Confident82.8Confident176 Ų17670.7 Ų70.777%0.76534%0.341SS*.  trans-63.2129173.8-65.4-179.3-179.5177.90108.2A275 L276 V277K273-A275 PolarHBondContact O-N 2.84Å; K273-L276 WeakPolarHBondContact O-CB 3.41Å; K273-L276 PolarHBondContact O-N 2.88Å; K273-V277 PolarHBondContact O-N 3.09Å
274H82.7Confident83.2Confident21 Ų2166.8 Ų66.810%0.09733%0.326CS..Hα-helixtrans-52.5-31.3179.9170.3-114.1000113.4E272 L276 V277 R278 A336 Q339E272-H274 PolarHBondContact O-N 3.45Å; H274-L276 VanDerWaalsContact C-N 3.32Å; H274-L276 PolarHBondContact O-N 2.81Å; H274-V277 PolarHBondContact O-N 3.4Å; H274-R278 VanDerWaalsContact O-CB 3.24Å; H274-R278 WeakPolarHBondContact O-CB 3.41Å; H274-R278 PolarHBondContact O-N 2.94Å; H274-A336 WeakPolarHBondContact NE2-CB 3.35Å; H274-Q339 HydrophobicContact CB-CB 4.12Å; H274-Q339 HydrophobicContact CB-CG 4.33Å; H274-Q339 VanDerWaalsContact CG-OE1 3.24Å; H274-Q339 PolarHBondContact ND1-OE1 2.82Å
275A86.2Confident83.6Confident66 Ų6667.3 Ų67.355%0.54533%0.328SS..Hα-helixtrans-55.7-44.8173.100000112.7K273 R278 E279K273-A275 PolarHBondContact O-N 2.84Å; A275-R278 PolarHBondContact O-N 2.81Å; A275-E279 VanDerWaalsContact O-CB 3.31Å; A275-E279 WeakPolarHBondContact O-CB 3.12Å; A275-E279 PolarHBondContact O-N 2.85Å
276L85.6Confident84.3Confident71 Ų7162.2 Ų62.237%0.37232%0.32SS..Hα-helixtrans-68.5-41.1178.1-174.466.5000111.2E272 K273 H274 E279 Q280E272-L276 HydrophobicContact CB-CD2 4.44Å; E272-L276 HydrophobicContact CG-CD2 4.4Å; E272-L276 WeakPolarHBondContact OE2-CD2 3.36Å; K273-L276 WeakPolarHBondContact O-CB 3.41Å; K273-L276 PolarHBondContact O-N 2.88Å; H274-L276 VanDerWaalsContact C-N 3.32Å; H274-L276 PolarHBondContact O-N 2.81Å; L276-E279 PolarHBondContact O-N 2.96Å; L276-Q280 VanDerWaalsContact O-CG 3.27Å; L276-Q280 WeakPolarHBondContact O-CG 3.33Å; L276-Q280 PolarHBondContact O-N 3.44Å; L276-Q280 VanDerWaalsContact O-N 3.15Å
277V86.7Confident85.2Confident0 Ų056.7 Ų56.70%029%0.287CS..Hα-helixtrans-61.7-45.7175.7177.70000110.8L267 F269 E272 K273 H274 Q280 L281L267-V277 HydrophobicContact CD2-CG2 4.37Å; F269-V277 HydrophobicContact CD1-CG1 3.99Å; E272-V277 HydrophobicContact CB-CG2 4.09Å; K273-V277 PolarHBondContact O-N 3.09Å; H274-V277 PolarHBondContact O-N 3.4Å; V277-Q280 PolarHBondContact O-N 3.46Å; V277-L281 HydrophobicContact CG1-CD1 3.63Å; V277-L281 HydrophobicContact CG1-CG 4.12Å; V277-L281 VanDerWaalsContact O-CB 3.31Å; V277-L281 WeakPolarHBondContact O-CB 3.46Å; V277-L281 VanDerWaalsContact O-CG 3.27Å; V277-L281 WeakPolarHBondContact O-CG 3.3Å; V277-L281 PolarHBondContact O-N 3.32Å
278R86.7Confident86Confident109 Ų10955.9 Ų55.941%0.41128%0.282SS..Hα-helixtrans-63.6-43.3177.7179.9179.6174.61062.3112H274 A275 Q280 L281 L282 L332H274-R278 VanDerWaalsContact O-CB 3.24Å; H274-R278 WeakPolarHBondContact O-CB 3.41Å; H274-R278 PolarHBondContact O-N 2.94Å; A275-R278 PolarHBondContact O-N 2.81Å; R278-Q280 PolarHBondContact O-N 2.91Å; R278-L281 PolarHBondContact O-N 3.37Å; R278-L282 HydrophobicContact CG-CD1 3.61Å; R278-L282 HydrophobicContact CG-CG 4.04Å; R278-L282 WeakPolarHBondContact O-CB 3.25Å; R278-L282 WeakPolarHBondContact O-CG 3.32Å; R278-L282 PolarHBondContact O-N 3.27Å; R278-L332 HydrophobicContact CB-CD1 3.97Å; R278-L332 HydrophobicContact CG-CD1 4.14Å
279E87.9Confident86.8Confident131 Ų13151.1 Ų51.161%0.61226%0.263SS*.Hα-helixtrans-60.5-32.3177.9-172.3179.7176.500112.2A275 L276 P283A275-E279 VanDerWaalsContact O-CB 3.31Å; A275-E279 WeakPolarHBondContact O-CB 3.12Å; A275-E279 PolarHBondContact O-N 2.85Å; L276-E279 PolarHBondContact O-N 2.96Å; E279-P283 WeakPolarHBondContact O-CD 3.28Å; E279-P283 VanDerWaalsContact O-CG 3.27Å; E279-P283 WeakPolarHBondContact O-CG 3.25Å
280Q86.5Confident87.6Confident58 Ų5852.5 Ų52.527%0.27127%0.27SS..Hα-helixtrans-87.4-36.3178.4-63.6-73.4-16.500112.8F214 L264 L267 L276 V277 R278F214-Q280 WeakPolarHBondContact CE2-O 3.42Å; L264-Q280 HydrophobicContact CD2-CB 4.05Å; L267-Q280 HydrophobicContact CD1-CB 3.76Å; L267-Q280 HydrophobicContact CD1-CG 3.78Å; L267-Q280 HydrophobicContact CD2-CB 4.1Å; L267-Q280 HydrophobicContact CD2-CG 3.98Å; L267-Q280 HydrophobicContact CG-CG 4.47Å; L276-Q280 VanDerWaalsContact O-CG 3.27Å; L276-Q280 WeakPolarHBondContact O-CG 3.33Å; L276-Q280 PolarHBondContact O-N 3.44Å; L276-Q280 VanDerWaalsContact O-N 3.15Å; V277-Q280 PolarHBondContact O-N 3.46Å; R278-Q280 PolarHBondContact O-N 2.91Å
281L89.8Confident88.5Confident0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-76.9-38.1-176.9-75.6-175.2000114L264 F269 V277 R278 A284 L285 L328 L332L264-L281 HydrophobicContact CD1-CD2 3.62Å; L264-L281 HydrophobicContact CD2-CD2 4.17Å; F269-L281 HydrophobicContact CD1-CD1 4.43Å; F269-L281 HydrophobicContact CE1-CD1 4.44Å; F269-L281 HydrophobicContact CE1-CD2 3.95Å; F269-L281 HydrophobicContact CE1-CG 4.42Å; V277-L281 HydrophobicContact CG1-CD1 3.63Å; V277-L281 HydrophobicContact CG1-CG 4.12Å; V277-L281 VanDerWaalsContact O-CB 3.31Å; V277-L281 WeakPolarHBondContact O-CB 3.46Å; V277-L281 VanDerWaalsContact O-CG 3.27Å; V277-L281 WeakPolarHBondContact O-CG 3.3Å; V277-L281 PolarHBondContact O-N 3.32Å; R278-L281 PolarHBondContact O-N 3.37Å; L281-A284 WeakPolarHBondContact O-CB 3.5Å; L281-A284 PolarHBondContact O-N 3.49Å; L281-L285 WeakPolarHBondContact O-CB 3.44Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 2.69Å; L281-L328 HydrophobicContact CD2-CB 4.47Å; L281-L328 HydrophobicContact CD2-CD2 3.66Å; L281-L328 HydrophobicContact CD2-CG 4.46Å; L281-L332 HydrophobicContact CD1-CB 4.03Å; L281-L332 HydrophobicContact CD1-CD1 4.19Å
282L91.4Very high89.4Confident71 Ų7147.1 Ų47.137%0.37224%0.241SC..Hα-helixtrans-65-45.2-176.5-73.5177000113.2R278 A284 L285 S286 L332R278-L282 HydrophobicContact CG-CD1 3.61Å; R278-L282 HydrophobicContact CG-CG 4.04Å; R278-L282 WeakPolarHBondContact O-CB 3.25Å; R278-L282 WeakPolarHBondContact O-CG 3.32Å; R278-L282 PolarHBondContact O-N 3.27Å; L282-A284 VanDerWaalsContact C-N 3.3Å; L282-A284 PolarHBondContact O-N 2.97Å; L282-L285 HydrophobicContact CD2-CD1 4.5Å; L282-L285 PolarHBondContact O-N 3.34Å; L282-S286 WeakPolarHBondContact O-CB 3.31Å; L282-S286 PolarHBondContact O-N 2.83Å; L282-L332 HydrophobicContact CD2-CD2 3.81Å; L282-L332 HydrophobicContact CG-CD2 4.39Å
283P90.6Very high90.1Very high45 Ų4549 Ų4929%0.29225%0.253SS..Hα-helixtrans-63.4-36.5174-23.135.4000112.4F214 E279 S286 L287F214-P283 HydrophobicContact CB-CB 3.62Å; F214-P283 HydrophobicContact CD2-CB 3.88Å; F214-P283 HydrophobicContact CG-CB 4.09Å; E279-P283 WeakPolarHBondContact O-CD 3.28Å; E279-P283 VanDerWaalsContact O-CG 3.27Å; E279-P283 WeakPolarHBondContact O-CG 3.25Å; P283-S286 PolarHBondContact O-N 3.06Å; P283-L287 WeakPolarHBondContact O-CB 3.49Å; P283-L287 PolarHBondContact O-N 3.33Å
284A91.1Very high90.5Very high0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-63-43.8174.800000111.9F214 V260 L264 L281 L282 L287 C288 L328F214-A284 HydrophobicContact CD1-CB 4.46Å; F214-A284 HydrophobicContact CD2-CB 4.39Å; F214-A284 HydrophobicContact CE1-CB 4.02Å; F214-A284 HydrophobicContact CE2-CB 3.92Å; F214-A284 HydrophobicContact CZ-CB 3.72Å; V260-A284 HydrophobicContact CG1-CB 4.28Å; V260-A284 HydrophobicContact CG2-CB 4.33Å; L264-A284 HydrophobicContact CD1-CB 4.37Å; L281-A284 WeakPolarHBondContact O-CB 3.5Å; L281-A284 PolarHBondContact O-N 3.49Å; L282-A284 VanDerWaalsContact C-N 3.3Å; L282-A284 PolarHBondContact O-N 2.97Å; A284-L287 PolarHBondContact O-N 3.49Å; A284-C288 PolarHBondContact O-N 3.5Å; A284-C288 PolarHBondContact O-SG 3.33Å; A284-L328 HydrophobicContact CB-CD1 4.34Å
285L93.7Very high91Very high11 Ų1139.7 Ų39.76%0.05821%0.213CC..Hα-helixtrans-62.4-45.1174.5-79.9169.8000111.8L281 L282 L287 C288 D289 S325 L328 R329 L332L281-L285 WeakPolarHBondContact O-CB 3.44Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 2.69Å; L282-L285 HydrophobicContact CD2-CD1 4.5Å; L282-L285 PolarHBondContact O-N 3.34Å; L285-L287 VanDerWaalsContact C-N 3.32Å; L285-L287 PolarHBondContact O-N 3.16Å; L285-C288 PolarHBondContact O-N 3.37Å; L285-D289 WeakPolarHBondContact O-CB 3.32Å; L285-D289 PolarHBondContact O-N 2.93Å; L285-S325 WeakPolarHBondContact CD2-O 3.46Å; L285-L328 HydrophobicContact CD1-CB 4.49Å; L285-L328 HydrophobicContact CD2-CB 3.69Å; L285-L328 HydrophobicContact CD2-CD1 4.26Å; L285-L328 HydrophobicContact CG-CB 4.03Å; L285-L328 HydrophobicContact CG-CD1 4.41Å; L285-R329 HydrophobicContact CD1-CG 3.96Å; L285-R329 HydrophobicContact CD2-CG 3.76Å; L285-L332 HydrophobicContact CD1-CD2 4.35Å
286S93.1Very high91.3Very high72 Ų7239.1 Ų39.150%0.50320%0.203SC..Hα-helixtrans-58.8-43.6176.5-172.40000111.7L282 P283 D289 Q290L282-S286 WeakPolarHBondContact O-CB 3.31Å; L282-S286 PolarHBondContact O-N 2.83Å; P283-S286 PolarHBondContact O-N 3.06Å; S286-D289 PolarHBondContact O-N 3.48Å; S286-Q290 WeakPolarHBondContact O-CB 3.43Å; S286-Q290 PolarHBondContact O-N 2.69Å
287L93.7Very high91.5Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-63.7-43.6176.7179.165.2000111.7F214 A217 M221 I256 L259 P283 A284 L285 Q290 W291F214-L287 HydrophobicContact CD1-CD2 3.88Å; A217-L287 HydrophobicContact CB-CD1 4.16Å; A217-L287 HydrophobicContact CB-CD2 3.89Å; M221-L287 HydrophobicContact CG-CD1 3.49Å; M221-L287 VanDerWaalsContact CG-CD1 3.49Å; I256-L287 HydrophobicContact CG2-CD2 4.04Å; I256-L287 HydrophobicContact CG2-CG 4.12Å; L259-L287 HydrophobicContact CD2-CD2 4.05Å; P283-L287 WeakPolarHBondContact O-CB 3.49Å; P283-L287 PolarHBondContact O-N 3.33Å; A284-L287 PolarHBondContact O-N 3.49Å; L285-L287 VanDerWaalsContact C-N 3.32Å; L285-L287 PolarHBondContact O-N 3.16Å; L287-Q290 PolarHBondContact O-N 2.85Å; L287-W291 PolarHBondContact O-N 3.44Å; L287-W291 VanDerWaalsContact O-N 3.11Å
288C93.5Very high91.7Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-62.7-46.7177.5-64.70000111.4A284 L285 W291 K292 L321 S325A284-C288 PolarHBondContact O-N 3.5Å; A284-C288 PolarHBondContact O-SG 3.33Å; L285-C288 PolarHBondContact O-N 3.37Å; C288-W291 PolarHBondContact O-N 2.9Å; C288-K292 WeakPolarHBondContact O-CB 3.33Å; C288-K292 WeakPolarHBondContact O-CD 3.2Å; C288-K292 WeakPolarHBondContact O-CG 3.49Å; C288-K292 PolarHBondContact O-N 3.04Å; C288-L321 HydrophobicContact CB-CD2 4.13Å; C288-S325 WeakPolarHBondContact CB-OG 3.33Å
289D93.9Very high91.9Very high39 Ų3933.9 Ų33.921%0.20918%0.181CC..Hα-helixtrans-67.9-39.8179.5-70.7-30000111.4L285 S286 W291 K292 D293 R329L285-D289 WeakPolarHBondContact O-CB 3.32Å; L285-D289 PolarHBondContact O-N 2.93Å; S286-D289 PolarHBondContact O-N 3.48Å; D289-W291 PolarHBondContact O-N 3.17Å; D289-K292 PolarHBondContact O-N 3.25Å; D289-K292 IonicContact OD1-NZ 3.5Å; D289-K292 PolarHBondContact OD1-NZ 3.5Å; D289-D293 VanDerWaalsContact O-CB 3.31Å; D289-D293 WeakPolarHBondContact O-CB 3.19Å; D289-D293 PolarHBondContact O-N 2.99Å; D289-R329 IonicContact OD1-CZ 3.82Å; D289-R329 IonicContact OD1-NH2 3Å; D289-R329 PolarHBondContact OD1-NH2 2.89Å; D289-R329 IonicContact OD2-CZ 3.54Å; D289-R329 IonicContact OD2-NH2 3.23Å; D289-R329 PolarHBondContact OD2-NH2 3.22Å
290Q94.3Very high91.9Very high41 Ų4128.9 Ų28.919%0.19217%0.166CC..Hα-helixtrans-56.6-48.5174.4-176.6-172.812.700112S218 E222 S286 L287 D293 A294S218-Q290 VanDerWaalsContact CA-OE1 3.28Å; S218-Q290 PolarHBondContact O-NE2 3.33Å; S218-Q290 VanDerWaalsContact O-NE2 3.09Å; S218-Q290 PolarHBondContact OG-OE1 3.33Å; E222-Q290 VanDerWaalsContact CG-NE2 3.29Å; S286-Q290 WeakPolarHBondContact O-CB 3.43Å; S286-Q290 PolarHBondContact O-N 2.69Å; L287-Q290 PolarHBondContact O-N 2.85Å; Q290-D293 PolarHBondContact O-N 2.91Å; Q290-A294 VanDerWaalsContact O-CB 3.3Å; Q290-A294 WeakPolarHBondContact O-CB 3.21Å; Q290-A294 PolarHBondContact O-N 3.44Å
291W95.2Very high91.8Very high0 Ų027.9 Ų27.90%017%0.165CC..Hα-helixtrans-70.7-34.8179.7-172.5-112.9000112.7M221 T224 F228 L249 V252 I256 L287 C288 D289 A294 C295 L321M221-W291 HydrophobicContact CB-CE3 4.14Å; M221-W291 HydrophobicContact CG-CE3 4.33Å; M221-W291 HydrophobicContact SD-CD2 4.17Å; M221-W291 HydrophobicContact SD-CE3 3.86Å; M221-W291 HydrophobicContact SD-CZ3 4.43Å; T224-W291 HydrophobicContact CG2-CH2 3.8Å; T224-W291 HydrophobicContact CG2-CZ3 4.09Å; F228-W291 HydrophobicContact CD2-CH2 4.04Å; F228-W291 AromaticContact CE2-CH2 3.84Å; F228-W291 HydrophobicContact CE2-CH2 3.84Å; F228-W291 HydrophobicContact CE2-CZ2 4.12Å; L249-W291 HydrophobicContact CD2-CH2 4.28Å; L249-W291 HydrophobicContact CD2-CZ2 3.85Å; V252-W291 HydrophobicContact CB-CH2 4.23Å; V252-W291 HydrophobicContact CB-CZ2 3.53Å; V252-W291 HydrophobicContact CG1-CD2 3.86Å; V252-W291 HydrophobicContact CG1-CE3 4.27Å; V252-W291 HydrophobicContact CG1-CH2 3.85Å; V252-W291 HydrophobicContact CG1-CZ2 3.38Å; V252-W291 HydrophobicContact CG1-CZ3 4.27Å; V252-W291 HydrophobicContact CG2-CH2 4.37Å; V252-W291 HydrophobicContact CG2-CZ2 4.07Å; I256-W291 HydrophobicContact CD1-CB 3.48Å; I256-W291 VanDerWaalsContact CD1-CB 3.48Å; I256-W291 VanDerWaalsContact CD1-CD1 3.48Å; I256-W291 HydrophobicContact CD1-CD2 4.02Å; I256-W291 HydrophobicContact CD1-CG 3.34Å; L287-W291 PolarHBondContact O-N 3.44Å; L287-W291 VanDerWaalsContact O-N 3.11Å; C288-W291 PolarHBondContact O-N 2.9Å; D289-W291 PolarHBondContact O-N 3.17Å; W291-A294 HydrophobicContact CE3-CB 4.24Å; W291-A294 PolarHBondContact O-N 3.06Å; W291-C295 PolarHBondContact NE1-SG 3.44Å; W291-C295 VanDerWaalsContact NE1-SG 3.39Å; W291-C295 WeakPolarHBondContact O-CB 3.35Å; W291-C295 PolarHBondContact O-N 3.1Å; W291-C295 PolarHBondContact O-SG 3.2Å; W291-L321 HydrophobicContact CB-CD1 4.28Å; W291-L321 HydrophobicContact CG-CD1 4.31Å
292K93.9Very high91.7Very high20 Ų2032.9 Ų32.99%0.08718%0.184CC..Hα-helixtrans-62.5-46.6172.6-75.8163.156-162.90111.6C288 D289 A294 C295 T296 C318 L321C288-K292 WeakPolarHBondContact O-CB 3.33Å; C288-K292 WeakPolarHBondContact O-CD 3.2Å; C288-K292 WeakPolarHBondContact O-CG 3.49Å; C288-K292 PolarHBondContact O-N 3.04Å; D289-K292 PolarHBondContact O-N 3.25Å; D289-K292 IonicContact OD1-NZ 3.5Å; D289-K292 PolarHBondContact OD1-NZ 3.5Å; K292-A294 VanDerWaalsContact C-N 3.34Å; K292-C295 PolarHBondContact O-N 2.91Å; K292-T296 WeakPolarHBondContact O-CB 3.37Å; K292-T296 VanDerWaalsContact O-CG2 3.3Å; K292-T296 WeakPolarHBondContact O-CG2 3.49Å; K292-T296 PolarHBondContact O-N 2.86Å; K292-T296 PolarHBondContact O-OG1 2.63Å; K292-C318 HydrophobicContact CG-CB 3.87Å; K292-L321 HydrophobicContact CD-CB 4.17Å; K292-L321 HydrophobicContact CG-CB 4.13Å
293D93Very high91.6Very high97 Ų9729.5 Ų29.552%0.51917%0.167SC..Hα-helixtrans-64.8-41.6178.1-69.4-13.3000110.2D289 Q290 T296 M297D289-D293 VanDerWaalsContact O-CB 3.31Å; D289-D293 WeakPolarHBondContact O-CB 3.19Å; D289-D293 PolarHBondContact O-N 2.99Å; Q290-D293 PolarHBondContact O-N 2.91Å; D293-T296 WeakPolarHBondContact CA-OG1 3.31Å; D293-T296 PolarHBondContact O-N 3.48Å; D293-T296 PolarHBondContact O-OG1 2.7Å; D293-M297 WeakPolarHBondContact O-CB 3.33Å; D293-M297 PolarHBondContact O-N 3.11Å
294A92.2Very high91.4Very high3 Ų331.4 Ų31.43%0.02517%0.17CC..Hα-helixtrans-59.7-49173.400000112Q225 Q290 W291 K292 T296 M297 L298Q225-A294 HydrophobicContact CG-CB 4.44Å; Q290-A294 VanDerWaalsContact O-CB 3.3Å; Q290-A294 WeakPolarHBondContact O-CB 3.21Å; Q290-A294 PolarHBondContact O-N 3.44Å; W291-A294 HydrophobicContact CE3-CB 4.24Å; W291-A294 PolarHBondContact O-N 3.06Å; K292-A294 VanDerWaalsContact C-N 3.34Å; A294-T296 PolarHBondContact O-N 3.16Å; A294-M297 PolarHBondContact O-N 3.49Å; A294-L298 WeakPolarHBondContact O-CB 3.41Å; A294-L298 VanDerWaalsContact O-CG 3.26Å; A294-L298 WeakPolarHBondContact O-CG 3.21Å; A294-L298 PolarHBondContact O-N 3.45Å
295C92.8Very high91.1Very high0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-62.6-44.6179-720000112.4W291 K292 T299 Y316 C318W291-C295 PolarHBondContact NE1-SG 3.44Å; W291-C295 VanDerWaalsContact NE1-SG 3.39Å; W291-C295 WeakPolarHBondContact O-CB 3.35Å; W291-C295 PolarHBondContact O-N 3.1Å; W291-C295 PolarHBondContact O-SG 3.2Å; K292-C295 PolarHBondContact O-N 2.91Å; C295-T299 WeakPolarHBondContact O-CB 3.16Å; C295-T299 PolarHBondContact O-N 2.8Å; C295-T299 PolarHBondContact O-OG1 2.6Å; C295-Y316 HydrophobicContact CB-CD1 4.14Å; C295-C318 WeakPolarHBondContact CB-SG 3.34Å; C295-C318 PolarHBondContact SG-SG 3.17Å
296T91.1Very high90.4Very high54 Ų5442.1 Ų42.133%0.33122%0.215SC..Hα-helixtrans-68.7-35.9178.854.70000111.8K292 D293 A294 G300 T315K292-T296 WeakPolarHBondContact O-CB 3.37Å; K292-T296 VanDerWaalsContact O-CG2 3.3Å; K292-T296 WeakPolarHBondContact O-CG2 3.49Å; K292-T296 PolarHBondContact O-N 2.86Å; K292-T296 PolarHBondContact O-OG1 2.63Å; D293-T296 WeakPolarHBondContact CA-OG1 3.31Å; D293-T296 PolarHBondContact O-N 3.48Å; D293-T296 PolarHBondContact O-OG1 2.7Å; A294-T296 PolarHBondContact O-N 3.16Å; T296-G300 WeakPolarHBondContact O-CA 3.38Å; T296-G300 PolarHBondContact O-N 3.11Å; T296-T315 HydrophobicContact CG2-CG2 4.31Å
297M90.1Very high89.6Confident69 Ų6945 Ų4534%0.3423%0.228SC..Hα-helixtrans-67.3-51.2174.8-172-161.7-66.900111.3D293 A294 S301 Y302D293-M297 WeakPolarHBondContact O-CB 3.33Å; D293-M297 PolarHBondContact O-N 3.11Å; A294-M297 PolarHBondContact O-N 3.49Å; M297-S301 WeakPolarHBondContact O-CA 3.41Å; M297-S301 WeakPolarHBondContact O-CB 3.49Å; M297-S301 PolarHBondContact O-N 3.16Å; M297-S301 PolarHBondContact O-OG 3.41Å; M297-Y302 HydrophobicContact CG-CD2 3.76Å; M297-Y302 HydrophobicContact CG-CE2 3.36Å; M297-Y302 PolarHBondContact O-N 3.26Å; M297-Y302 HydrophobicContact SD-CD2 4.02Å; M297-Y302 HydrophobicContact SD-CE2 3.12Å; M297-Y302 WeakPolarHBondContact SD-CE2 3.29Å
298L90.9Very high88.7Confident0 Ų048.9 Ų48.90%025%0.252CS..Iπ-helixtrans-59-58.9178.4-72.9173.9000111.3Q225 E229 A294 Y302 W303Q225-L298 HydrophobicContact CG-CD1 4.04Å; Q225-L298 HydrophobicContact CG-CD2 4.28Å; Q225-L298 HydrophobicContact CG-CG 4.31Å; E229-L298 HydrophobicContact CB-CD2 4.37Å; A294-L298 WeakPolarHBondContact O-CB 3.41Å; A294-L298 VanDerWaalsContact O-CG 3.26Å; A294-L298 WeakPolarHBondContact O-CG 3.21Å; A294-L298 PolarHBondContact O-N 3.45Å; L298-Y302 HydrophobicContact CD2-CD2 4.36Å; L298-Y302 PolarHBondContact O-N 2.84Å; L298-W303 HydrophobicContact CB-CD2 4.05Å; L298-W303 HydrophobicContact CB-CE3 4.19Å; L298-W303 HydrophobicContact CB-CH2 4.14Å; L298-W303 HydrophobicContact CB-CZ2 3.99Å; L298-W303 HydrophobicContact CB-CZ3 4.23Å; L298-W303 HydrophobicContact CD1-CH2 3.97Å; L298-W303 HydrophobicContact CD1-CZ2 3.84Å; L298-W303 HydrophobicContact CD2-CZ2 3.8Å; L298-W303 HydrophobicContact CG-CH2 4.5Å; L298-W303 HydrophobicContact CG-CZ2 4.1Å; L298-W303 VanDerWaalsContact O-CB 3.27Å; L298-W303 WeakPolarHBondContact O-CB 3.47Å; L298-W303 VanDerWaalsContact O-CG 3.28Å; L298-W303 PolarHBondContact O-N 3.28Å
299T91.2Very high88.2Confident0 Ų053.4 Ų53.40%027%0.27CS..Iπ-helixtrans-79.1-28.9-174.162.30000113.6L249 C295 W303 K304 W311 Y316L249-T299 HydrophobicContact CD1-CG2 3.86Å; C295-T299 WeakPolarHBondContact O-CB 3.16Å; C295-T299 PolarHBondContact O-N 2.8Å; C295-T299 PolarHBondContact O-OG1 2.6Å; T299-W303 HydrophobicContact CG2-CE3 3.88Å; T299-W303 HydrophobicContact CG2-CZ3 3.91Å; T299-K304 WeakPolarHBondContact O-CD 3.5Å; T299-K304 WeakPolarHBondContact O-CE 3.37Å; T299-K304 WeakPolarHBondContact O-CG 3.44Å; T299-W311 HydrophobicContact CG2-CD2 4.25Å; T299-W311 HydrophobicContact CG2-CH2 4.39Å; T299-W311 HydrophobicContact CG2-CZ2 3.98Å; T299-Y316 PolarHBondContact OG1-N 2.66Å
300G87.3Confident87.8Confident27 Ų2756.5 Ų56.528%0.27828%0.281SS..Iπ-helixtrans-93.6-29.8-174.900000114.4T296 T315T296-G300 WeakPolarHBondContact O-CA 3.38Å; T296-G300 PolarHBondContact O-N 3.11Å; G300-T315 WeakPolarHBondContact CA-OG1 3.38Å
301S85.9Confident87.5Confident36 Ų3655 Ų5525%0.25227%0.274SS..Iπ-helixtrans-120.6-49.5-173.979.90000113.7M297 K305M297-S301 WeakPolarHBondContact O-CA 3.41Å; M297-S301 WeakPolarHBondContact O-CB 3.49Å; M297-S301 PolarHBondContact O-N 3.16Å; M297-S301 PolarHBondContact O-OG 3.41Å; S301-K305 VanDerWaalsContact O-CD 3.27Å; S301-K305 WeakPolarHBondContact O-CD 3.46Å; S301-K305 VanDerWaalsContact O-CG 3.22Å; S301-K305 WeakPolarHBondContact O-CG 3.43Å
302Y86.8Confident87Confident105 Ų10562.3 Ų62.341%0.41231%0.308SS..Iπ-helixtrans-81.9-59.3-173.2-65.7-39.8000112.7M297 L298 K304 K305 W306M297-Y302 HydrophobicContact CG-CD2 3.76Å; M297-Y302 HydrophobicContact CG-CE2 3.36Å; M297-Y302 PolarHBondContact O-N 3.26Å; M297-Y302 HydrophobicContact SD-CD2 4.02Å; M297-Y302 HydrophobicContact SD-CE2 3.12Å; M297-Y302 WeakPolarHBondContact SD-CE2 3.29Å; L298-Y302 HydrophobicContact CD2-CD2 4.36Å; L298-Y302 PolarHBondContact O-N 2.84Å; Y302-K304 VanDerWaalsContact C-N 3.29Å; Y302-K304 PolarHBondContact O-N 3.02Å; Y302-K305 PolarHBondContact O-N 3.27Å; Y302-W306 PolarHBondContact O-N 2.74Å
303W90.4Very high86.5Confident1 Ų162.7 Ų62.70%0.00432%0.318CS..THydrogen-bonded Turntrans-70.4-23.5-175.4-59-18.1000113.4F228 W232 M245 L249 L298 T299 K305 W311F228-W303 HydrophobicContact CB-CH2 4.38Å; F228-W303 HydrophobicContact CB-CZ2 4.33Å; W232-W303 HydrophobicContact CB-CZ2 4.09Å; W232-W303 AromaticContact CD1-CD1 3.51Å; W232-W303 AromaticContact CD1-CG 3.7Å; W232-W303 AromaticContact CD1-NE1 3.78Å; W232-W303 HydrophobicContact CD2-CD2 4.2Å; W232-W303 HydrophobicContact CD2-CE3 4.43Å; W232-W303 HydrophobicContact CD2-CG 4.48Å; W232-W303 HydrophobicContact CG-CD2 4.03Å; W232-W303 AromaticContact CG-CE2 3.84Å; W232-W303 HydrophobicContact CG-CG 4.13Å; W232-W303 HydrophobicContact CG-CZ2 4.33Å; W232-W303 AromaticContact CG-NE1 3.83Å; W232-W303 AromaticContact NE1-CG 3.81Å; M245-W303 HydrophobicContact CG-CH2 3.79Å; M245-W303 HydrophobicContact CG-CZ3 3.82Å; M245-W303 HydrophobicContact SD-CH2 3.96Å; L249-W303 HydrophobicContact CD1-CZ3 4.3Å; L298-W303 HydrophobicContact CB-CD2 4.05Å; L298-W303 HydrophobicContact CB-CE3 4.19Å; L298-W303 HydrophobicContact CB-CH2 4.14Å; L298-W303 HydrophobicContact CB-CZ2 3.99Å; L298-W303 HydrophobicContact CB-CZ3 4.23Å; L298-W303 HydrophobicContact CD1-CH2 3.97Å; L298-W303 HydrophobicContact CD1-CZ2 3.84Å; L298-W303 HydrophobicContact CD2-CZ2 3.8Å; L298-W303 HydrophobicContact CG-CH2 4.5Å; L298-W303 HydrophobicContact CG-CZ2 4.1Å; L298-W303 VanDerWaalsContact O-CB 3.27Å; L298-W303 WeakPolarHBondContact O-CB 3.47Å; L298-W303 VanDerWaalsContact O-CG 3.28Å; L298-W303 PolarHBondContact O-N 3.28Å; T299-W303 HydrophobicContact CG2-CE3 3.88Å; T299-W303 HydrophobicContact CG2-CZ3 3.91Å; W303-K305 VanDerWaalsContact C-N 3.3Å; W303-W311 HydrophobicContact CB-CB 3.83Å; W303-W311 HydrophobicContact CE3-CD2 4.23Å; W303-W311 AromaticContact CE3-CE3 3.62Å; W303-W311 HydrophobicContact CE3-CE3 3.62Å; W303-W311 AromaticContact CE3-CZ3 3.98Å; W303-W311 HydrophobicContact CE3-CZ3 3.98Å; W303-W311 HydrophobicContact CZ3-CE3 4.02Å; W303-W311 AromaticContact CZ3-CZ3 3.88Å; W303-W311 HydrophobicContact CZ3-CZ3 3.88Å; W303-W311 PolarHBondContact O-N 3.37Å
304K85.1Confident86.1Confident85 Ų8565.1 Ų65.137%0.3733%0.331SS..THydrogen-bonded Turntrans-68.7-27.2169.2-87.7179.1-178.5176.90113.4T299 Y302 T315T299-K304 WeakPolarHBondContact O-CD 3.5Å; T299-K304 WeakPolarHBondContact O-CE 3.37Å; T299-K304 WeakPolarHBondContact O-CG 3.44Å; Y302-K304 VanDerWaalsContact C-N 3.29Å; Y302-K304 PolarHBondContact O-N 3.02Å; K304-T315 PolarHBondContact NZ-OG1 3.08Å
305K84.4Confident86Confident166 Ų16667.6 Ų67.672%0.72235%0.346SS*.THydrogen-bonded Turntrans-96.2-5.2179.6-67.5178-171.6172.60113.1S301 Y302 W303S301-K305 VanDerWaalsContact O-CD 3.27Å; S301-K305 WeakPolarHBondContact O-CD 3.46Å; S301-K305 VanDerWaalsContact O-CG 3.22Å; S301-K305 WeakPolarHBondContact O-CG 3.43Å; Y302-K305 PolarHBondContact O-N 3.27Å; W303-K305 VanDerWaalsContact C-N 3.3Å
306W78.8Confident85.8Confident70 Ų7068.9 Ų68.927%0.26535%0.351SS..  trans-65.8142.8-178.4-139.2-100000111.6A233 Y302 K310A233-W306 HydrophobicContact CB-CH2 4.33Å; A233-W306 HydrophobicContact CB-CZ2 3.62Å; Y302-W306 PolarHBondContact O-N 2.74Å; W306-K310 WeakPolarHBondContact O-CE 3.46Å; W306-K310 WeakPolarHBondContact O-CG 3.22Å
307V76.7Confident85.6Confident131 Ų13170 Ų7079%0.79436%0.361SS*.SBendtrans-84.4-40.6-170.2-179.80000112.3
308T75.8Confident85.6Confident82 Ų8266.7 Ų66.750%0.50334%0.344SS..SBendtrans-89.3-39.8-169.8500000113.9
309W82.4Confident85.4Confident95 Ų9569.4 Ų69.436%0.3636%0.362SS..SBendtrans-139.496.5-178.2-167.4-122.8000110.2W232 P239 Y240W232-W309 AromaticContact CE2-CD1 3.51Å; W232-W309 AromaticContact CH2-CD1 3.69Å; W232-W309 AromaticContact CH2-NE1 3.44Å; W232-W309 AromaticContact CZ2-CD1 3.33Å; W232-W309 HydrophobicContact CZ2-CG 4.26Å; W232-W309 AromaticContact CZ2-NE1 3.57Å; W232-W309 AromaticContact CZ3-NE1 3.91Å; W232-W309 AromaticContact NE1-CD1 3.95Å; W232-W309 PolarHBondContact NE1-O 3.25Å; P239-W309 HydrophobicContact CB-CD2 3.7Å; P239-W309 HydrophobicContact CB-CE3 4.23Å; P239-W309 HydrophobicContact CB-CG 3.86Å; P239-W309 HydrophobicContact CB-CZ2 4.25Å; P239-W309 HydrophobicContact CG-CD2 4.06Å; P239-W309 HydrophobicContact CG-CE3 4.14Å; P239-W309 HydrophobicContact CG-CG 4.33Å; Y240-W309 PolarHBondContact O-NE1 3.46Å
310K85.5Confident85.1Confident104 Ų10476.2 Ų76.245%0.45239%0.387SS..  trans-89.1134.6-175.1-73178.3-175.9-179.10111W306 Q312W306-K310 WeakPolarHBondContact O-CE 3.46Å; W306-K310 WeakPolarHBondContact O-CG 3.22Å; K310-Q312 PolarHBondContact O-N 2.95Å; K310-Q312 PolarHBondContact O-NE2 3.02Å
311W89Confident85.2Confident11 Ų1174.9 Ų74.94%0.04237%0.374CS..  trans-61.6115.6167.5-171.1-94.9000110W232 E242 M245 L246 L249 T299 W303 G313 D314W232-W311 AromaticContact CH2-CE3 3.51Å; W232-W311 HydrophobicContact CH2-CE3 3.51Å; W232-W311 AromaticContact CH2-CZ3 3.85Å; W232-W311 HydrophobicContact CH2-CZ3 3.85Å; W232-W311 HydrophobicContact CZ2-CB 4.43Å; W232-W311 AromaticContact CZ2-CE3 3.78Å; W232-W311 HydrophobicContact CZ2-CE3 3.78Å; W232-W311 HydrophobicContact CZ3-CE3 4.01Å; W232-W311 AromaticContact CZ3-CZ3 3.93Å; W232-W311 HydrophobicContact CZ3-CZ3 3.93Å; E242-W311 HydrophobicContact CG-CD2 4.26Å; E242-W311 HydrophobicContact CG-CE3 3.83Å; E242-W311 HydrophobicContact CG-CH2 3.97Å; E242-W311 HydrophobicContact CG-CZ2 4.39Å; E242-W311 HydrophobicContact CG-CZ3 3.69Å; M245-W311 HydrophobicContact CB-CZ3 4.13Å; M245-W311 HydrophobicContact CG-CZ3 4.02Å; L246-W311 HydrophobicContact CB-CH2 4.02Å; L246-W311 HydrophobicContact CD1-CH2 4.42Å; L246-W311 HydrophobicContact CD1-CZ2 4.25Å; L249-W311 HydrophobicContact CD1-CH2 4.39Å; T299-W311 HydrophobicContact CG2-CD2 4.25Å; T299-W311 HydrophobicContact CG2-CH2 4.39Å; T299-W311 HydrophobicContact CG2-CZ2 3.98Å; W303-W311 HydrophobicContact CB-CB 3.83Å; W303-W311 HydrophobicContact CE3-CD2 4.23Å; W303-W311 AromaticContact CE3-CE3 3.62Å; W303-W311 HydrophobicContact CE3-CE3 3.62Å; W303-W311 AromaticContact CE3-CZ3 3.98Å; W303-W311 HydrophobicContact CE3-CZ3 3.98Å; W303-W311 HydrophobicContact CZ3-CE3 4.02Å; W303-W311 AromaticContact CZ3-CZ3 3.88Å; W303-W311 HydrophobicContact CZ3-CZ3 3.88Å; W303-W311 PolarHBondContact O-N 3.37Å; W311-G313 PolarHBondContact NE1-O 2.97Å; W311-D314 PolarHBondContact NE1-O 3.35Å
312Q83.7Confident85.4Confident152 Ų15276.4 Ų76.471%0.7138%0.377SS*.  trans-87.5-27.5-178.2-60.3-59.7-40.100112.4E242 K310E242-Q312 PolarHBondContact OE1-N 3.27Å; E242-Q312 PolarHBondContact OE2-N 2.84Å; K310-Q312 PolarHBondContact O-N 2.95Å; K310-Q312 PolarHBondContact O-NE2 3.02Å
313G82.6Confident85.4Confident29 Ų2978.2 Ų78.230%0.29938%0.383SS..SBendtrans-71.1174.9-179.500000115.5E242 W311E242-G313 PolarHBondContact OE1-N 3.48Å; W311-G313 PolarHBondContact NE1-O 2.97Å
314D85.5Confident85.3Confident148 Ų14878.2 Ų78.279%0.79138%0.383SS*.PPolyproline II helixtrans-65.5160.3171.2-71.9-40.5000111.7W311 Y316W311-D314 PolarHBondContact NE1-O 3.35Å; D314-Y316 PolarHBondContact O-N 3.36Å
315T89.1Confident85.6Confident54 Ų5474.1 Ų74.133%0.33137%0.366SS..PPolyproline II helixtrans-63.6125.1173.6-56.10000108.7T296 G300 K304 S317T296-T315 HydrophobicContact CG2-CG2 4.31Å; G300-T315 WeakPolarHBondContact CA-OG1 3.38Å; K304-T315 PolarHBondContact NZ-OG1 3.08Å; T315-S317 PolarHBondContact O-N 3Å
316Y90Very high85.8Confident28 Ų2869.7 Ų69.711%0.1135%0.35CS..PPolyproline II helixtrans-74.2119.5-178.7-168.2-113.5000110.7L246 L249 Q250 E253 C295 T299 D314 C318L246-Y316 HydrophobicContact CD1-CD2 3.65Å; L246-Y316 HydrophobicContact CD1-CE2 3.97Å; L246-Y316 HydrophobicContact CD1-CG 4.27Å; L249-Y316 HydrophobicContact CB-CD1 4.17Å; L249-Y316 HydrophobicContact CB-CE1 4.24Å; L249-Y316 HydrophobicContact CD1-CD1 4.33Å; L249-Y316 HydrophobicContact CD1-CG 4.48Å; Q250-Y316 HydrophobicContact CG-CE2 4.2Å; Q250-Y316 VanDerWaalsContact CG-OH 3.24Å; Q250-Y316 WeakPolarHBondContact CG-OH 3.49Å; E253-Y316 PolarHBondContact OE2-OH 3.19Å; C295-Y316 HydrophobicContact CB-CD1 4.14Å; T299-Y316 PolarHBondContact OG1-N 2.66Å; D314-Y316 PolarHBondContact O-N 3.36Å; Y316-C318 VanDerWaalsContact CD1-SG 3.59Å; Y316-C318 HydrophobicContact CE1-CB 4.27Å; Y316-C318 VanDerWaalsContact CE1-SG 3.54Å
317S85.9Confident86.2Confident77 Ų7766.9 Ų66.954%0.53834%0.339SS..  trans-106.112.6-171.158.50000114.7T315T315-S317 PolarHBondContact O-N 3Å
318C90.8Very high86.8Confident0 Ų060.6 Ų60.60%030%0.301CS..  trans40.965.1177.7-53.50000113.2E253 K292 C295 Y316 R320 L321 Q322E253-C318 HydrophobicContact CG-CB 4.41Å; E253-C318 WeakPolarHBondContact OE1-CA 3.35Å; K292-C318 HydrophobicContact CG-CB 3.87Å; C295-C318 WeakPolarHBondContact CB-SG 3.34Å; C295-C318 PolarHBondContact SG-SG 3.17Å; Y316-C318 VanDerWaalsContact CD1-SG 3.59Å; Y316-C318 HydrophobicContact CE1-CB 4.27Å; Y316-C318 VanDerWaalsContact CE1-SG 3.54Å; C318-R320 VanDerWaalsContact C-N 3.27Å; C318-R320 PolarHBondContact O-N 3.34Å; C318-L321 HydrophobicContact CB-CB 4.08Å; C318-L321 HydrophobicContact CB-CD1 4.29Å; C318-L321 PolarHBondContact O-N 2.88Å; C318-Q322 PolarHBondContact O-N 2.92Å
319P87.1Confident87.5Confident56 Ų5661.1 Ų61.136%0.36429%0.294SS..Hα-helixtrans-63-29.7-168.525.3-34.7000113.7R323P319-R323 WeakPolarHBondContact O-CG 3.43Å; P319-R323 PolarHBondContact O-N 2.74Å
320R84.1Confident87.8Confident143 Ų14359.1 Ų59.154%0.5429%0.288SS..Hα-helixtrans-75.2-43.9178.6-57.5179.4174.1177.4-0.8110.1E253 N254 V257 C318 R323 L324E253-R320 HydrophobicContact CG-CB 4.5Å; E253-R320 VanDerWaalsContact OE1-CA 3.32Å; E253-R320 WeakPolarHBondContact OE1-CA 3.39Å; E253-R320 WeakPolarHBondContact OE1-CB 3.3Å; E253-R320 PolarHBondContact OE1-N 2.99Å; N254-R320 VanDerWaalsContact CG-NH1 3.34Å; N254-R320 PolarHBondContact ND2-NH1 3.39Å; N254-R320 WeakPolarHBondContact OD1-CD 3.12Å; N254-R320 PolarHBondContact OD1-NH1 2.94Å; V257-R320 HydrophobicContact CG2-CB 4.32Å; C318-R320 VanDerWaalsContact C-N 3.27Å; C318-R320 PolarHBondContact O-N 3.34Å; R320-R323 PolarHBondContact O-N 3.43Å; R320-L324 WeakPolarHBondContact O-CB 3.3Å; R320-L324 PolarHBondContact O-N 3.45Å
321L89.4Confident87.9Confident0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-64.4-38.4174.1-79173.9000112.4E253 I256 V257 C288 W291 K292 C318 R323 L324 S325E253-L321 HydrophobicContact CB-CD1 4.39Å; E253-L321 HydrophobicContact CG-CB 4.32Å; E253-L321 HydrophobicContact CG-CD1 3.71Å; E253-L321 HydrophobicContact CG-CG 3.6Å; E253-L321 PolarHBondContact OE1-N 3.34Å; I256-L321 HydrophobicContact CB-CD2 4.16Å; I256-L321 HydrophobicContact CD1-CD1 4.16Å; I256-L321 HydrophobicContact CG2-CD2 3.67Å; V257-L321 HydrophobicContact CG2-CD2 3.72Å; V257-L321 HydrophobicContact CG2-CG 4.08Å; C288-L321 HydrophobicContact CB-CD2 4.13Å; W291-L321 HydrophobicContact CB-CD1 4.28Å; W291-L321 HydrophobicContact CG-CD1 4.31Å; K292-L321 HydrophobicContact CD-CB 4.17Å; K292-L321 HydrophobicContact CG-CB 4.13Å; C318-L321 HydrophobicContact CB-CB 4.08Å; C318-L321 HydrophobicContact CB-CD1 4.29Å; C318-L321 PolarHBondContact O-N 2.88Å; L321-R323 PolarHBondContact O-N 3.29Å; L321-L324 HydrophobicContact CD2-CD2 4.42Å; L321-L324 PolarHBondContact O-N 2.93Å; L321-S325 WeakPolarHBondContact O-CB 3.26Å; L321-S325 PolarHBondContact O-N 2.91Å; L321-S325 PolarHBondContact O-OG 3.33Å; L321-S325 VanDerWaalsContact O-OG 3.12Å
322Q90.3Very high87.9Confident67 Ų6754.7 Ų54.731%0.31327%0.27SS..Hα-helixtrans-58.9-49.8175.9179.562.634.800111.2C318 L324 S325 D326C318-Q322 PolarHBondContact O-N 2.92Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.42Å; Q322-S325 PolarHBondContact O-N 2.81Å; Q322-D326 PolarHBondContact NE2-OD1 3.27Å; Q322-D326 PolarHBondContact NE2-OD2 3.42Å; Q322-D326 WeakPolarHBondContact O-CB 3.37Å; Q322-D326 PolarHBondContact O-N 3.47Å
323R86.9Confident88.2Confident143 Ų14349 Ų4954%0.5425%0.248SC..Hα-helixtrans-60.6-39.6176.9-70.5179.6-164.7164.44112.1P319 R320 L321 R327P319-R323 WeakPolarHBondContact O-CG 3.43Å; P319-R323 PolarHBondContact O-N 2.74Å; R320-R323 PolarHBondContact O-N 3.43Å; L321-R323 PolarHBondContact O-N 3.29Å; R323-R327 WeakPolarHBondContact O-CB 3.35Å; R323-R327 PolarHBondContact O-N 2.85Å
324L88.4Confident88.5Confident1 Ų147.7 Ų47.71%0.00523%0.234CC..Hα-helixtrans-65-50.7176.2-176.460.4000111V257 V260 R320 L321 Q322 D326 R327 L328V257-L324 HydrophobicContact CB-CD2 4.43Å; V257-L324 HydrophobicContact CG1-CD2 4.4Å; V257-L324 HydrophobicContact CG2-CD2 4.08Å; V260-L324 HydrophobicContact CB-CD2 3.99Å; V260-L324 HydrophobicContact CG1-CD1 4.49Å; V260-L324 HydrophobicContact CG1-CD2 3.79Å; V260-L324 HydrophobicContact CG1-CG 4.39Å; V260-L324 HydrophobicContact CG2-CD2 4.5Å; R320-L324 WeakPolarHBondContact O-CB 3.3Å; R320-L324 PolarHBondContact O-N 3.45Å; L321-L324 HydrophobicContact CD2-CD2 4.42Å; L321-L324 PolarHBondContact O-N 2.93Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.42Å; L324-D326 VanDerWaalsContact C-N 3.3Å; L324-D326 PolarHBondContact O-N 2.87Å; L324-R327 WeakPolarHBondContact O-CB 3.34Å; L324-R327 PolarHBondContact O-N 3.34Å; L324-R327 VanDerWaalsContact O-N 3.13Å; L324-L328 HydrophobicContact CD1-CD1 4.39Å; L324-L328 HydrophobicContact CD1-CD2 4.34Å; L324-L328 HydrophobicContact CD1-CG 4.18Å; L324-L328 HydrophobicContact CG-CD1 4.1Å; L324-L328 HydrophobicContact CG-CG 4.3Å; L324-L328 VanDerWaalsContact O-CG 3.26Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 3.46Å
325S90.9Very high88.7Confident0 Ų040.9 Ų40.90%020%0.198CC..Hα-helixtrans-55.5-45.3176.7-66.10000111.7L285 C288 L321 Q322 R327 L328 R329L285-S325 WeakPolarHBondContact CD2-O 3.46Å; C288-S325 WeakPolarHBondContact CB-OG 3.33Å; L321-S325 WeakPolarHBondContact O-CB 3.26Å; L321-S325 PolarHBondContact O-N 2.91Å; L321-S325 PolarHBondContact O-OG 3.33Å; L321-S325 VanDerWaalsContact O-OG 3.12Å; Q322-S325 PolarHBondContact O-N 2.81Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-R327 PolarHBondContact O-N 3Å; S325-L328 PolarHBondContact O-N 3.15Å; S325-R329 WeakPolarHBondContact O-CG 3.19Å; S325-R329 PolarHBondContact O-N 2.98Å
326D88.1Confident88.7Confident72 Ų7238.4 Ų38.439%0.38518%0.183SC..Hα-helixtrans-64.3-41.3179-66-20.7000111.3Q322 L324 R329 Q330Q322-D326 PolarHBondContact NE2-OD1 3.27Å; Q322-D326 PolarHBondContact NE2-OD2 3.42Å; Q322-D326 WeakPolarHBondContact O-CB 3.37Å; Q322-D326 PolarHBondContact O-N 3.47Å; L324-D326 VanDerWaalsContact C-N 3.3Å; L324-D326 PolarHBondContact O-N 2.87Å; D326-R329 PolarHBondContact O-N 3.45Å; D326-R329 IonicContact OD1-NH1 2.72Å; D326-R329 PolarHBondContact OD1-NH1 3.43Å; D326-Q330 WeakPolarHBondContact O-CB 3.25Å; D326-Q330 PolarHBondContact O-N 3.12Å
327R87.1Confident88.8Confident11 Ų1137.1 Ų37.14%0.04218%0.178CC..Hα-helixtrans-61.2-45.7173.2-179.461.463.395.6-0.2112R323 L324 S325 Q330 L331 P365 Y367 D370 W373R323-R327 WeakPolarHBondContact O-CB 3.35Å; R323-R327 PolarHBondContact O-N 2.85Å; L324-R327 WeakPolarHBondContact O-CB 3.34Å; L324-R327 PolarHBondContact O-N 3.34Å; L324-R327 VanDerWaalsContact O-N 3.13Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-R327 PolarHBondContact O-N 3Å; R327-Q330 PolarHBondContact O-N 2.89Å; R327-L331 HydrophobicContact CG-CD1 4.07Å; R327-L331 WeakPolarHBondContact O-CB 3.42Å; R327-L331 WeakPolarHBondContact O-CG 3.35Å; R327-L331 PolarHBondContact O-N 3.34Å; R327-P365 WeakPolarHBondContact CG-O 3.37Å; R327-P365 PolarHBondContact NH1-O 2.83Å; R327-Y367 PolarHBondContact NH1-O 2.84Å; R327-D370 IonicContact NH2-OD1 3.71Å; R327-D370 PolarHBondContact NH2-OD1 3.27Å; R327-W373 VanDerWaalsContact NH2-CD1 3.31Å
328L90Very high88.9Confident0 Ų034.5 Ų34.50%016%0.157CC..Hα-helixtrans-66.5-39.2-179.8-65.4178.7000111.6V260 L264 L281 A284 L285 L324 S325 L331 L332 L366V260-L328 HydrophobicContact CG1-CD1 4Å; L264-L328 HydrophobicContact CD1-CD1 4.45Å; L264-L328 HydrophobicContact CD1-CD2 3.69Å; L281-L328 HydrophobicContact CD2-CB 4.47Å; L281-L328 HydrophobicContact CD2-CD2 3.66Å; L281-L328 HydrophobicContact CD2-CG 4.46Å; A284-L328 HydrophobicContact CB-CD1 4.34Å; L285-L328 HydrophobicContact CD1-CB 4.49Å; L285-L328 HydrophobicContact CD2-CB 3.69Å; L285-L328 HydrophobicContact CD2-CD1 4.26Å; L285-L328 HydrophobicContact CG-CB 4.03Å; L285-L328 HydrophobicContact CG-CD1 4.41Å; L324-L328 HydrophobicContact CD1-CD1 4.39Å; L324-L328 HydrophobicContact CD1-CD2 4.34Å; L324-L328 HydrophobicContact CD1-CG 4.18Å; L324-L328 HydrophobicContact CG-CD1 4.1Å; L324-L328 HydrophobicContact CG-CG 4.3Å; L324-L328 VanDerWaalsContact O-CG 3.26Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 3.46Å; S325-L328 PolarHBondContact O-N 3.15Å; L328-L331 HydrophobicContact CD2-CD1 4.43Å; L328-L331 PolarHBondContact O-N 2.85Å; L328-L332 WeakPolarHBondContact O-CB 3.26Å; L328-L332 PolarHBondContact O-N 2.66Å; L328-L366 HydrophobicContact CD2-CD2 3.59Å
329R90.5Very high88.8Confident92 Ų9239 Ų3935%0.34718%0.178SC..Hα-helixtrans-63.6-42.7173.4-72-176.5-164.31062.6111.7L285 D289 S325 D326 L332 S333L285-R329 HydrophobicContact CD1-CG 3.96Å; L285-R329 HydrophobicContact CD2-CG 3.76Å; D289-R329 IonicContact OD1-CZ 3.82Å; D289-R329 IonicContact OD1-NH2 3Å; D289-R329 PolarHBondContact OD1-NH2 2.89Å; D289-R329 IonicContact OD2-CZ 3.54Å; D289-R329 IonicContact OD2-NH2 3.23Å; D289-R329 PolarHBondContact OD2-NH2 3.22Å; S325-R329 WeakPolarHBondContact O-CG 3.19Å; S325-R329 PolarHBondContact O-N 2.98Å; D326-R329 PolarHBondContact O-N 3.45Å; D326-R329 IonicContact OD1-NH1 2.72Å; D326-R329 PolarHBondContact OD1-NH1 3.43Å; R329-L332 PolarHBondContact O-N 3.26Å; R329-S333 PolarHBondContact O-N 2.85Å; R329-S333 PolarHBondContact O-OG 3.39Å
330Q88.1Confident88.9Confident53 Ų5337.4 Ų37.425%0.24817%0.166CC..Hα-helixtrans-65.5-41175.7-168178.328.600111.7D326 R327 L332 S333 L334 E381D326-Q330 WeakPolarHBondContact O-CB 3.25Å; D326-Q330 PolarHBondContact O-N 3.12Å; R327-Q330 PolarHBondContact O-N 2.89Å; Q330-L332 VanDerWaalsContact C-N 3.35Å; Q330-L332 PolarHBondContact O-N 3.39Å; Q330-S333 PolarHBondContact O-N 3.36Å; Q330-S333 PolarHBondContact O-OG 3.26Å; Q330-L334 HydrophobicContact CG-CD1 4.18Å; Q330-L334 HydrophobicContact CG-CG 4.45Å; Q330-L334 WeakPolarHBondContact O-CB 3.41Å; Q330-L334 VanDerWaalsContact O-CG 3.22Å; Q330-L334 WeakPolarHBondContact O-CG 3.42Å; Q330-L334 PolarHBondContact O-N 3.45Å; Q330-E381 PolarHBondContact NE2-OE1 3.49Å
331L88.2Confident89.1Confident0 Ų030.6 Ų30.60%014%0.14CC..Hα-helixtrans-60.8-45.5174.3-79167.3000111.5R327 L328 L334 C335 W357 P365 L366 W373R327-L331 HydrophobicContact CG-CD1 4.07Å; R327-L331 WeakPolarHBondContact O-CB 3.42Å; R327-L331 WeakPolarHBondContact O-CG 3.35Å; R327-L331 PolarHBondContact O-N 3.34Å; L328-L331 HydrophobicContact CD2-CD1 4.43Å; L328-L331 PolarHBondContact O-N 2.85Å; L331-L334 PolarHBondContact O-N 2.89Å; L331-C335 WeakPolarHBondContact O-CB 3.44Å; L331-C335 PolarHBondContact O-N 3.35Å; L331-C335 PolarHBondContact O-SG 2.87Å; L331-W357 HydrophobicContact CD2-CH2 3.94Å; L331-W357 HydrophobicContact CD2-CZ2 3.73Å; L331-P365 HydrophobicContact CD1-CB 4.49Å; L331-P365 HydrophobicContact CD2-CB 4.15Å; L331-L366 HydrophobicContact CD1-CD2 4.35Å; L331-W373 HydrophobicContact CD2-CH2 3.32Å; L331-W373 HydrophobicContact CD2-CZ2 3.85Å; L331-W373 HydrophobicContact CD2-CZ3 4.09Å; L331-W373 HydrophobicContact CG-CH2 4.12Å; L331-W373 HydrophobicContact CG-CZ2 4.14Å
332L89.6Confident89.1Confident22 Ų2232.3 Ų32.312%0.11515%0.152CC..Hα-helixtrans-61.8-45.7178.2-175.763000111.4R278 L281 L282 L285 L328 R329 Q330 C335 A336R278-L332 HydrophobicContact CB-CD1 3.97Å; R278-L332 HydrophobicContact CG-CD1 4.14Å; L281-L332 HydrophobicContact CD1-CB 4.03Å; L281-L332 HydrophobicContact CD1-CD1 4.19Å; L282-L332 HydrophobicContact CD2-CD2 3.81Å; L282-L332 HydrophobicContact CG-CD2 4.39Å; L285-L332 HydrophobicContact CD1-CD2 4.35Å; L328-L332 WeakPolarHBondContact O-CB 3.26Å; L328-L332 PolarHBondContact O-N 2.66Å; R329-L332 PolarHBondContact O-N 3.26Å; Q330-L332 VanDerWaalsContact C-N 3.35Å; Q330-L332 PolarHBondContact O-N 3.39Å; L332-C335 PolarHBondContact O-N 2.86Å; L332-A336 WeakPolarHBondContact O-CB 3.29Å; L332-A336 PolarHBondContact O-N 3.19Å
333S89.1Confident88.9Confident34 Ų3434.2 Ų34.224%0.23817%0.168CC..Hα-helixtrans-64.7-41.8178.968.50000112.2R329 Q330 A336 G337R329-S333 PolarHBondContact O-N 2.85Å; R329-S333 PolarHBondContact O-OG 3.39Å; Q330-S333 PolarHBondContact O-N 3.36Å; Q330-S333 PolarHBondContact O-OG 3.26Å; S333-A336 PolarHBondContact O-N 3.18Å; S333-G337 PolarHBondContact O-N 2.84Å
334L90.1Very high88.9Confident0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-65.3-41.1176.1-68.4176.3000112.2W270 Q330 L331 G337 K338 W357 W373 A377 I380 E381 F384 I423W270-L334 HydrophobicContact CZ3-CB 4.3Å; Q330-L334 HydrophobicContact CG-CD1 4.18Å; Q330-L334 HydrophobicContact CG-CG 4.45Å; Q330-L334 WeakPolarHBondContact O-CB 3.41Å; Q330-L334 VanDerWaalsContact O-CG 3.22Å; Q330-L334 WeakPolarHBondContact O-CG 3.42Å; Q330-L334 PolarHBondContact O-N 3.45Å; L331-L334 PolarHBondContact O-N 2.89Å; L334-G337 PolarHBondContact O-N 3.21Å; L334-K338 WeakPolarHBondContact O-CB 3.47Å; L334-K338 PolarHBondContact O-N 3.36Å; L334-W357 HydrophobicContact CB-CH2 4.41Å; L334-W357 HydrophobicContact CB-CZ3 4.42Å; L334-W357 HydrophobicContact CD1-CH2 4.24Å; L334-W357 HydrophobicContact CD1-CZ3 4.27Å; L334-W373 HydrophobicContact CD1-CH2 4.18Å; L334-W373 HydrophobicContact CD1-CZ2 3.99Å; L334-A377 HydrophobicContact CD1-CB 4.47Å; L334-I380 HydrophobicContact CD2-CG2 4.07Å; L334-E381 HydrophobicContact CD2-CG 3.71Å; L334-F384 HydrophobicContact CD2-CD2 4.48Å; L334-F384 HydrophobicContact CD2-CE2 4.39Å; L334-F384 WeakPolarHBondContact O-CE2 3.49Å; L334-I423 HydrophobicContact CD2-CD1 4.43Å; L334-I423 HydrophobicContact CD2-CG2 4.4Å
335C89.8Confident88.9Confident5 Ų531.5 Ų31.53%0.03417%0.165CC..Hα-helixtrans-66.7-41.2177.1-65.80000111.7F269 L331 L332 K338 Q339F269-C335 PolarHBondContact O-SG 3.36Å; F269-C335 VanDerWaalsContact O-SG 3.41Å; L331-C335 WeakPolarHBondContact O-CB 3.44Å; L331-C335 PolarHBondContact O-N 3.35Å; L331-C335 PolarHBondContact O-SG 2.87Å; L332-C335 PolarHBondContact O-N 2.86Å; C335-K338 PolarHBondContact O-N 3.25Å; C335-Q339 PolarHBondContact O-N 3.36Å
336A89.1Confident88.7Confident3 Ų335.8 Ų35.83%0.02519%0.188CC..Hα-helixtrans-63.4-46.3174.900000111.3H274 L332 S333 K338 Q339 I340 D419H274-A336 WeakPolarHBondContact NE2-CB 3.35Å; L332-A336 WeakPolarHBondContact O-CB 3.29Å; L332-A336 PolarHBondContact O-N 3.19Å; S333-A336 PolarHBondContact O-N 3.18Å; A336-K338 VanDerWaalsContact C-N 3.35Å; A336-K338 PolarHBondContact O-N 3Å; A336-Q339 PolarHBondContact O-N 3.32Å; A336-I340 WeakPolarHBondContact O-CG1 3.49Å; A336-I340 PolarHBondContact O-N 3.48Å; A336-D419 HydrophobicContact CB-CB 3.6Å
337G90.5Very high88.7Confident0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-58.1-44.1175.600000112.6S333 L334 Q339 I340 L341S333-G337 PolarHBondContact O-N 2.84Å; L334-G337 PolarHBondContact O-N 3.21Å; G337-Q339 PolarHBondContact O-N 2.78Å; G337-I340 PolarHBondContact O-N 3.49Å; G337-L341 WeakPolarHBondContact O-CB 3.49Å; G337-L341 WeakPolarHBondContact O-CG 3.36Å; G337-L341 PolarHBondContact O-N 3.01Å
338K88.3Confident88.7Confident23 Ų2345 Ų4510%0.123%0.23CC..Hα-helixtrans-58.5-48.8173.8-170-152.2-179.3167.80111.6W270 L334 C335 A336 I340 L341 S342 D354 F384W270-K338 HydrophobicContact CD2-CD 3.68Å; W270-K338 HydrophobicContact CE3-CD 4.05Å; W270-K338 HydrophobicContact CG-CD 4.27Å; W270-K338 HydrophobicContact CH2-CB 3.63Å; W270-K338 HydrophobicContact CH2-CD 3.99Å; W270-K338 HydrophobicContact CH2-CG 3.87Å; W270-K338 HydrophobicContact CZ2-CB 3.9Å; W270-K338 HydrophobicContact CZ2-CD 3.57Å; W270-K338 HydrophobicContact CZ2-CG 3.57Å; W270-K338 HydrophobicContact CZ3-CB 4.03Å; W270-K338 HydrophobicContact CZ3-CD 4.19Å; W270-K338 HydrophobicContact CZ3-CG 4.44Å; W270-K338 VanDerWaalsContact NE1-CE 3.34Å; W270-K338 PolarHBondContact O-NZ 3.34Å; L334-K338 WeakPolarHBondContact O-CB 3.47Å; L334-K338 PolarHBondContact O-N 3.36Å; C335-K338 PolarHBondContact O-N 3.25Å; A336-K338 VanDerWaalsContact C-N 3.35Å; A336-K338 PolarHBondContact O-N 3Å; K338-I340 VanDerWaalsContact C-N 3.29Å; K338-I340 PolarHBondContact O-N 2.73Å; K338-L341 PolarHBondContact O-N 2.97Å; K338-S342 WeakPolarHBondContact O-CB 3.16Å; K338-S342 PolarHBondContact O-N 2.91Å; K338-S342 PolarHBondContact O-OG 3.23Å; K338-D354 WeakPolarHBondContact CE-OD1 3.48Å; K338-D354 IonicContact NZ-OD1 3.92Å; K338-D354 PolarHBondContact NZ-OD1 3.26Å; K338-F384 HydrophobicContact CB-CE2 4.4Å; K338-F384 HydrophobicContact CB-CZ 3.78Å; K338-F384 HydrophobicContact CG-CZ 4.37Å
339Q88.5Confident88.6Confident94 Ų9446 Ų4644%0.43924%0.235SC..Hα-helixtrans-59.2-45.7-178.6-173.6-172.49.900110.2H274 C335 A336 G337 S342 T343H274-Q339 HydrophobicContact CB-CB 4.12Å; H274-Q339 HydrophobicContact CB-CG 4.33Å; H274-Q339 VanDerWaalsContact CG-OE1 3.24Å; H274-Q339 PolarHBondContact ND1-OE1 2.82Å; C335-Q339 PolarHBondContact O-N 3.36Å; A336-Q339 PolarHBondContact O-N 3.32Å; G337-Q339 PolarHBondContact O-N 2.78Å; Q339-S342 PolarHBondContact O-N 3.14Å; Q339-T343 WeakPolarHBondContact O-CG2 3.45Å; Q339-T343 PolarHBondContact O-N 2.87Å
340I89.3Confident88.3Confident23 Ų2343 Ų4312%0.11823%0.227CC..Hα-helixtrans-60.1-53.4177.4-68.5166.5000110.2A336 G337 K338 S342 T343 L344 Y417 D419 L420A336-I340 WeakPolarHBondContact O-CG1 3.49Å; A336-I340 PolarHBondContact O-N 3.48Å; G337-I340 PolarHBondContact O-N 3.49Å; K338-I340 VanDerWaalsContact C-N 3.29Å; K338-I340 PolarHBondContact O-N 2.73Å; I340-S342 VanDerWaalsContact C-N 3.29Å; I340-S342 PolarHBondContact O-N 3.36Å; I340-T343 PolarHBondContact O-N 3.29Å; I340-T343 VanDerWaalsContact O-N 3.09Å; I340-T343 PolarHBondContact O-OG1 3.35Å; I340-L344 HydrophobicContact CG2-CD1 3.99Å; I340-L344 WeakPolarHBondContact O-CG 3.47Å; I340-Y417 HydrophobicContact CG2-CD1 3.55Å; I340-Y417 HydrophobicContact CG2-CE1 4.22Å; I340-Y417 HydrophobicContact CG2-CG 4.47Å; I340-D419 HydrophobicContact CD1-CB 4Å; I340-L420 HydrophobicContact CB-CB 4.31Å; I340-L420 HydrophobicContact CB-CD2 4.46Å; I340-L420 HydrophobicContact CD1-CB 3.89Å; I340-L420 HydrophobicContact CG2-CB 4.15Å; I340-L420 HydrophobicContact CG2-CD2 3.77Å
341L89.1Confident88.2Confident0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-58.3-42.1179.6-73.6171.8000111.7G337 K338 T343 L344 V345 M353 F384 L387 I391 L420G337-L341 WeakPolarHBondContact O-CB 3.49Å; G337-L341 WeakPolarHBondContact O-CG 3.36Å; G337-L341 PolarHBondContact O-N 3.01Å; K338-L341 PolarHBondContact O-N 2.97Å; L341-T343 PolarHBondContact O-N 3.05Å; L341-L344 WeakPolarHBondContact O-CA 3.37Å; L341-L344 PolarHBondContact O-N 3.43Å; L341-V345 HydrophobicContact CB-CG2 4.35Å; L341-V345 WeakPolarHBondContact O-CG2 3.42Å; L341-V345 PolarHBondContact O-N 3.06Å; L341-M353 HydrophobicContact CB-CE 4Å; L341-M353 HydrophobicContact CB-SD 3.9Å; L341-M353 HydrophobicContact CD1-SD 3.98Å; L341-F384 HydrophobicContact CD1-CB 3.92Å; L341-F384 HydrophobicContact CD1-CD1 3.4Å; L341-F384 VanDerWaalsContact CD1-CD1 3.4Å; L341-F384 HydrophobicContact CD1-CD2 4.03Å; L341-F384 HydrophobicContact CD1-CE1 3.79Å; L341-F384 HydrophobicContact CD1-CE2 4.37Å; L341-F384 HydrophobicContact CD1-CG 3.52Å; L341-F384 HydrophobicContact CD1-CZ 4.24Å; L341-L387 HydrophobicContact CD1-CD1 4.46Å; L341-L387 HydrophobicContact CD2-CB 4.14Å; L341-I391 HydrophobicContact CD2-CD1 3.54Å; L341-L420 HydrophobicContact CD1-CD1 3.86Å; L341-L420 HydrophobicContact CD2-CD1 4.32Å; L341-L420 HydrophobicContact CD2-CD2 3.73Å; L341-L420 HydrophobicContact CG-CD1 3.86Å; L341-L420 HydrophobicContact CG-CD2 3.89Å
342S88.4Confident88Confident36 Ų3649.3 Ų49.325%0.25226%0.259SS..Hα-helixtrans-62.1-20.7-179.4-55.10000113.6K338 Q339 I340K338-S342 WeakPolarHBondContact O-CB 3.16Å; K338-S342 PolarHBondContact O-N 2.91Å; K338-S342 PolarHBondContact O-OG 3.23Å; Q339-S342 PolarHBondContact O-N 3.14Å; I340-S342 VanDerWaalsContact C-N 3.29Å; I340-S342 PolarHBondContact O-N 3.36Å
343T87.3Confident87.9Confident106 Ų10648.2 Ų48.265%0.6525%0.253SS*.THydrogen-bonded Turntrans-85.5-11.1173.264.30000114Q339 I340 L341Q339-T343 WeakPolarHBondContact O-CG2 3.45Å; Q339-T343 PolarHBondContact O-N 2.87Å; I340-T343 PolarHBondContact O-N 3.29Å; I340-T343 VanDerWaalsContact O-N 3.09Å; I340-T343 PolarHBondContact O-OG1 3.35Å; L341-T343 PolarHBondContact O-N 3.05Å
344L86.9Confident87.6Confident55 Ų5549.4 Ų49.429%0.28826%0.257SS..THydrogen-bonded Turntrans-115.7-17.4-171.2-61.5174.9000113.7I340 L341 I391 V395 Y417I340-L344 HydrophobicContact CG2-CD1 3.99Å; I340-L344 WeakPolarHBondContact O-CG 3.47Å; L341-L344 WeakPolarHBondContact O-CA 3.37Å; L341-L344 PolarHBondContact O-N 3.43Å; L344-I391 HydrophobicContact CB-CD1 4Å; L344-I391 HydrophobicContact CB-CG2 3.92Å; L344-I391 HydrophobicContact CD1-CG2 3.88Å; L344-I391 HydrophobicContact CG-CG2 4.4Å; L344-V395 HydrophobicContact CD1-CG2 4.43Å; L344-V395 HydrophobicContact CD2-CG2 4.21Å; L344-Y417 HydrophobicContact CD1-CD1 4.26Å; L344-Y417 HydrophobicContact CD1-CE1 3.86Å; L344-Y417 HydrophobicContact CD2-CE1 4.34Å
345V88.1Confident87.2Confident32 Ų3254.6 Ų54.619%0.19428%0.282CS..SBendtrans-111.8165.6178.5-123.70000112.3L341 T349 M353 I391L341-V345 HydrophobicContact CB-CG2 4.35Å; L341-V345 WeakPolarHBondContact O-CG2 3.42Å; L341-V345 PolarHBondContact O-N 3.06Å; V345-T349 HydrophobicContact CB-CG2 4.06Å; V345-T349 HydrophobicContact CG1-CG2 3.81Å; V345-T349 HydrophobicContact CG2-CG2 4.22Å; V345-M353 HydrophobicContact CG2-CE 4.18Å; V345-I391 HydrophobicContact CG1-CD1 4.34Å; V345-I391 HydrophobicContact CG2-CD1 3.75Å
346D87.7Confident86.8Confident90 Ų9055.4 Ų55.448%0.48129%0.286SS..  trans-71.8160.9177.868.9-40.7000112.6H348 T349 V350D346-H348 PolarHBondContact O-N 2.88Å; D346-T349 PolarHBondContact O-N 2.72Å; D346-T349 VanDerWaalsContact O-N 3.11Å; D346-T349 WeakPolarHBondContact OD1-CB 3.42Å; D346-T349 PolarHBondContact OD1-OG1 3.24Å; D346-V350 WeakPolarHBondContact O-CG2 3.35Å; D346-V350 PolarHBondContact O-N 3.18Å; D346-V350 VanDerWaalsContact O-N 3.07Å
347Q87Confident86.2Confident164 Ų16456.8 Ų56.877%0.76629%0.291SS*.Hα-helixtrans-60.7-30.1-175.1-71.1-176.5-4.600113.4V350 Q351Q347-V350 PolarHBondContact O-N 3.16Å; Q347-Q351 WeakPolarHBondContact O-CG 3.24Å; Q347-Q351 PolarHBondContact O-N 3.1Å
348H87.6Confident85.4Confident114 Ų11463.2 Ų63.253%0.52832%0.321SS..Hα-helixtrans-64.7-47.3175.6-173.9-69.4000110.9D346 V350 Q351 D352D346-H348 PolarHBondContact O-N 2.88Å; H348-V350 VanDerWaalsContact C-N 3.27Å; H348-V350 PolarHBondContact O-N 3.21Å; H348-Q351 WeakPolarHBondContact O-CB 3.33Å; H348-Q351 PolarHBondContact O-N 2.92Å; H348-Q351 VanDerWaalsContact O-N 3.11Å; H348-D352 IonicContact CE1-OD1 3.55Å; H348-D352 IonicContact CE1-OD2 3.73Å; H348-D352 PolarHBondContact CE1-OD2 3.01Å; H348-D352 VanDerWaalsContact CE1-OD2 3.25Å; H348-D352 IonicContact ND1-OD1 3.3Å; H348-D352 IonicContact ND1-OD2 2.68Å; H348-D352 PolarHBondContact ND1-OD2 3.41Å; H348-D352 PolarHBondContact O-N 2.69Å
349T86.9Confident84.6Confident19 Ų1964.2 Ų64.212%0.11733%0.325CS..Hα-helixtrans-65.7-32.1177.7-55.60000112.2V345 D346 D352 M353 L387V345-T349 HydrophobicContact CB-CG2 4.06Å; V345-T349 HydrophobicContact CG1-CG2 3.81Å; V345-T349 HydrophobicContact CG2-CG2 4.22Å; D346-T349 PolarHBondContact O-N 2.72Å; D346-T349 VanDerWaalsContact O-N 3.11Å; D346-T349 WeakPolarHBondContact OD1-CB 3.42Å; D346-T349 PolarHBondContact OD1-OG1 3.24Å; T349-D352 PolarHBondContact O-N 2.73Å; T349-M353 WeakPolarHBondContact O-CG 3.47Å; T349-M353 PolarHBondContact O-N 3.11Å; T349-L387 HydrophobicContact CG2-CD1 3.79Å; T349-L387 HydrophobicContact CG2-CD2 3.53Å; T349-L387 HydrophobicContact CG2-CG 4.33Å
350V85.6Confident83.6Confident30 Ų3063.6 Ų63.618%0.18233%0.329CS..Hα-helixtrans-61.6-45.5171.3177.20000111D346 Q347 H348 D352 M353 D354D346-V350 WeakPolarHBondContact O-CG2 3.35Å; D346-V350 PolarHBondContact O-N 3.18Å; D346-V350 VanDerWaalsContact O-N 3.07Å; Q347-V350 PolarHBondContact O-N 3.16Å; H348-V350 VanDerWaalsContact C-N 3.27Å; H348-V350 PolarHBondContact O-N 3.21Å; V350-D352 VanDerWaalsContact C-N 3.35Å; V350-D352 PolarHBondContact O-N 3.24Å; V350-M353 HydrophobicContact CG2-CE 4.15Å; V350-M353 PolarHBondContact O-N 3.1Å; V350-D354 PolarHBondContact O-N 3.32Å
351Q84.4Confident82.5Confident120 Ų12069.2 Ų69.256%0.56137%0.368SS*.Hα-helixtrans-61.6-42.7175.1-69.7174.211.400111.5Q347 H348 M353 D354 M355Q347-Q351 WeakPolarHBondContact O-CG 3.24Å; Q347-Q351 PolarHBondContact O-N 3.1Å; H348-Q351 WeakPolarHBondContact O-CB 3.33Å; H348-Q351 PolarHBondContact O-N 2.92Å; H348-Q351 VanDerWaalsContact O-N 3.11Å; Q351-M353 VanDerWaalsContact C-N 3.3Å; Q351-M353 PolarHBondContact O-N 2.96Å; Q351-D354 WeakPolarHBondContact O-CB 3.44Å; Q351-D354 PolarHBondContact O-N 3.46Å; Q351-D354 VanDerWaalsContact O-N 3.07Å; Q351-M355 WeakPolarHBondContact O-CG 3.26Å; Q351-M355 PolarHBondContact O-N 2.94Å
352D85.1Confident81.2Confident65 Ų6578 Ų7835%0.34841%0.408SS..Hα-helixtrans-60.9-38.3175.7-69.6-24.5000112.4H348 T349 V350 M355H348-D352 IonicContact CE1-OD1 3.55Å; H348-D352 IonicContact CE1-OD2 3.73Å; H348-D352 PolarHBondContact CE1-OD2 3.01Å; H348-D352 VanDerWaalsContact CE1-OD2 3.25Å; H348-D352 IonicContact ND1-OD1 3.3Å; H348-D352 IonicContact ND1-OD2 2.68Å; H348-D352 PolarHBondContact ND1-OD2 3.41Å; H348-D352 PolarHBondContact O-N 2.69Å; T349-D352 PolarHBondContact O-N 2.73Å; V350-D352 VanDerWaalsContact C-N 3.35Å; V350-D352 PolarHBondContact O-N 3.24Å; D352-M355 PolarHBondContact O-N 3.46Å
353M86.5Confident80.2Confident0 Ų077.5 Ų77.50%040%0.402CS..Hα-helixtrans-68.3-34.5173.1-72.1-170.9-66.600112.5W270 L341 V345 T349 V350 Q351 M355 L356 F384 L387W270-M353 PolarHBondContact NE1-O 2.85Å; L341-M353 HydrophobicContact CB-CE 4Å; L341-M353 HydrophobicContact CB-SD 3.9Å; L341-M353 HydrophobicContact CD1-SD 3.98Å; V345-M353 HydrophobicContact CG2-CE 4.18Å; T349-M353 WeakPolarHBondContact O-CG 3.47Å; T349-M353 PolarHBondContact O-N 3.11Å; V350-M353 HydrophobicContact CG2-CE 4.15Å; V350-M353 PolarHBondContact O-N 3.1Å; Q351-M353 VanDerWaalsContact C-N 3.3Å; Q351-M353 PolarHBondContact O-N 2.96Å; M353-M355 VanDerWaalsContact C-N 3.31Å; M353-L356 WeakPolarHBondContact O-CB 3.15Å; M353-L356 PolarHBondContact O-N 3.44Å; M353-F384 HydrophobicContact CG-CE1 4.39Å; M353-F384 HydrophobicContact SD-CD1 4.35Å; M353-F384 HydrophobicContact SD-CE1 3.85Å; M353-L387 HydrophobicContact CG-CD1 3.81Å; M353-L387 HydrophobicContact SD-CD1 3.53Å; M353-L387 VanDerWaalsContact SD-CD1 3.53Å
354D83.8Confident79.5Confident58 Ų5873.8 Ų73.831%0.3138%0.378SS..Hα-helixtrans-65.1-36.6174.4-72.4-27000111.7K338 V350 Q351 L356 W357K338-D354 WeakPolarHBondContact CE-OD1 3.48Å; K338-D354 IonicContact NZ-OD1 3.92Å; K338-D354 PolarHBondContact NZ-OD1 3.26Å; V350-D354 PolarHBondContact O-N 3.32Å; Q351-D354 WeakPolarHBondContact O-CB 3.44Å; Q351-D354 PolarHBondContact O-N 3.46Å; Q351-D354 VanDerWaalsContact O-N 3.07Å; D354-L356 PolarHBondContact O-N 2.84Å; D354-W357 PolarHBondContact O-N 2.87Å
355M82.4Confident78.7Confident109 Ų10971.8 Ų71.854%0.53737%0.369SS..Hα-helixtrans-63.8-24.2175.3-62.6-57.1-69.500113.1Q351 D352 M353 W357 Q358Q351-M355 WeakPolarHBondContact O-CG 3.26Å; Q351-M355 PolarHBondContact O-N 2.94Å; D352-M355 PolarHBondContact O-N 3.46Å; M353-M355 VanDerWaalsContact C-N 3.31Å; M355-W357 PolarHBondContact O-N 3.07Å; M355-Q358 VanDerWaalsContact CE-NE2 3.34Å; M355-Q358 PolarHBondContact O-N 3.17Å; M355-Q358 PolarHBondContact SD-NE2 2.95Å
356L80.4Confident78.1Confident23 Ų2370.3 Ų70.312%0.1236%0.359CS..THydrogen-bonded Turntrans-69.4-14.8177.2-66.4177.1000113.7M353 D354 Q376 K379 I380 K383M353-L356 WeakPolarHBondContact O-CB 3.15Å; M353-L356 PolarHBondContact O-N 3.44Å; D354-L356 PolarHBondContact O-N 2.84Å; L356-Q376 PolarHBondContact O-NE2 3.2Å; L356-K379 HydrophobicContact CD2-CD 4.42Å; L356-I380 HydrophobicContact CB-CG1 4.09Å; L356-K383 HydrophobicContact CD1-CB 3.73Å; L356-K383 HydrophobicContact CD1-CG 3.78Å
357W77.6Confident77.3Confident31 Ų3171 Ų7112%0.11736%0.356CS..THydrogen-bonded Turntrans-1059.9-178.8-146.9-89.2000113.6W270 L331 L334 D354 M355 F359 W373 I380W270-W357 HydrophobicContact CB-CB 4.07Å; W270-W357 VanDerWaalsContact CB-CD1 3.43Å; W270-W357 HydrophobicContact CB-CD2 3.97Å; W270-W357 HydrophobicContact CB-CG 3.56Å; W270-W357 AromaticContact CD1-CG 3.69Å; W270-W357 HydrophobicContact CD2-CB 3.92Å; W270-W357 AromaticContact CD2-CD2 3.4Å; W270-W357 HydrophobicContact CD2-CD2 3.4Å; W270-W357 AromaticContact CD2-CE3 3.43Å; W270-W357 HydrophobicContact CD2-CE3 3.43Å; W270-W357 VanDerWaalsContact CD2-CE3 3.43Å; W270-W357 AromaticContact CD2-CG 3.64Å; W270-W357 HydrophobicContact CD2-CG 3.64Å; W270-W357 HydrophobicContact CD2-CZ3 4.05Å; W270-W357 AromaticContact CE2-CD2 3.93Å; W270-W357 AromaticContact CE2-CE3 3.62Å; W270-W357 AromaticContact CE3-CD2 3.5Å; W270-W357 HydrophobicContact CE3-CD2 3.5Å; W270-W357 VanDerWaalsContact CE3-CD2 3.5Å; W270-W357 AromaticContact CE3-CE2 3.79Å; W270-W357 AromaticContact CE3-CE3 3.31Å; W270-W357 HydrophobicContact CE3-CE3 3.31Å; W270-W357 HydrophobicContact CE3-CG 4.21Å; W270-W357 AromaticContact CE3-CH2 3.71Å; W270-W357 HydrophobicContact CE3-CH2 3.71Å; W270-W357 AromaticContact CE3-CZ2 3.92Å; W270-W357 HydrophobicContact CE3-CZ2 3.92Å; W270-W357 AromaticContact CE3-CZ3 3.41Å; W270-W357 HydrophobicContact CE3-CZ3 3.41Å; W270-W357 VanDerWaalsContact CE3-CZ3 3.41Å; W270-W357 HydrophobicContact CG-CB 3.52Å; W270-W357 AromaticContact CG-CD1 3.8Å; W270-W357 AromaticContact CG-CD2 3.67Å; W270-W357 HydrophobicContact CG-CD2 3.67Å; W270-W357 HydrophobicContact CG-CE3 4.19Å; W270-W357 AromaticContact CG-CG 3.36Å; W270-W357 HydrophobicContact CG-CG 3.36Å; W270-W357 HydrophobicContact CH2-CD2 4.48Å; W270-W357 AromaticContact CH2-CE3 3.53Å; W270-W357 HydrophobicContact CH2-CE3 3.53Å; W270-W357 HydrophobicContact CH2-CH2 4.41Å; W270-W357 AromaticContact CH2-CZ3 3.48Å; W270-W357 HydrophobicContact CH2-CZ3 3.48Å; W270-W357 VanDerWaalsContact CH2-CZ3 3.48Å; W270-W357 HydrophobicContact CZ2-CD2 4.44Å; W270-W357 AromaticContact CZ2-CE3 3.68Å; W270-W357 HydrophobicContact CZ2-CE3 3.68Å; W270-W357 HydrophobicContact CZ2-CZ3 4.13Å; W270-W357 HydrophobicContact CZ3-CD2 4.07Å; W270-W357 AromaticContact CZ3-CE3 3.37Å; W270-W357 HydrophobicContact CZ3-CE3 3.37Å; W270-W357 AromaticContact CZ3-CH2 3.62Å; W270-W357 HydrophobicContact CZ3-CH2 3.62Å; W270-W357 HydrophobicContact CZ3-CZ2 4.31Å; W270-W357 AromaticContact CZ3-CZ3 3.1Å; W270-W357 HydrophobicContact CZ3-CZ3 3.1Å; L331-W357 HydrophobicContact CD2-CH2 3.94Å; L331-W357 HydrophobicContact CD2-CZ2 3.73Å; L334-W357 HydrophobicContact CB-CH2 4.41Å; L334-W357 HydrophobicContact CB-CZ3 4.42Å; L334-W357 HydrophobicContact CD1-CH2 4.24Å; L334-W357 HydrophobicContact CD1-CZ3 4.27Å; D354-W357 PolarHBondContact O-N 2.87Å; M355-W357 PolarHBondContact O-N 3.07Å; W357-F359 VanDerWaalsContact C-N 3.32Å; W357-F359 AromaticContact CD1-CD2 3.75Å; W357-F359 AromaticContact CD1-CE2 3.59Å; W357-F359 AromaticContact CD2-CE2 3.73Å; W357-F359 HydrophobicContact CD2-CE2 3.73Å; W357-F359 AromaticContact CE2-CE2 3.69Å; W357-F359 HydrophobicContact CE3-CE2 4.44Å; W357-F359 HydrophobicContact CG-CD2 4.18Å; W357-F359 AromaticContact CG-CE2 3.72Å; W357-F359 HydrophobicContact CG-CE2 3.72Å; W357-F359 HydrophobicContact CZ2-CE2 4.39Å; W357-F359 AromaticContact NE1-CD2 3.97Å; W357-F359 AromaticContact NE1-CE2 3.57Å; W357-F359 WeakPolarHBondContact O-CD2 3.42Å; W357-F359 PolarHBondContact O-N 3.42Å; W357-W373 AromaticContact CH2-CH2 3.66Å; W357-W373 HydrophobicContact CH2-CH2 3.66Å; W357-W373 HydrophobicContact CH2-CZ3 4.21Å; W357-W373 AromaticContact CZ2-CH2 3.98Å; W357-W373 HydrophobicContact CZ2-CH2 3.98Å; W357-W373 HydrophobicContact CZ2-CZ3 4.2Å; W357-W373 HydrophobicContact CZ3-CH2 4.49Å; W357-I380 HydrophobicContact CE3-CD1 3.51Å; W357-I380 HydrophobicContact CZ3-CD1 3.5Å; W357-I380 VanDerWaalsContact CZ3-CD1 3.5Å
358Q73.5Confident76Confident135 Ų13565.2 Ų65.263%0.63133%0.333SS*.  trans-73.587.8173.8-67.8-170.2-4.200110.3M355M355-Q358 VanDerWaalsContact CE-NE2 3.34Å; M355-Q358 PolarHBondContact O-N 3.17Å; M355-Q358 PolarHBondContact SD-NE2 2.95Å
359F70.5Confident74.9Confident44 Ų4464.3 Ų64.319%0.19333%0.332CS..  trans-85.6152.7172-66.7-78.1000111.1W357 F363 W373 Q376W357-F359 VanDerWaalsContact C-N 3.32Å; W357-F359 AromaticContact CD1-CD2 3.75Å; W357-F359 AromaticContact CD1-CE2 3.59Å; W357-F359 AromaticContact CD2-CE2 3.73Å; W357-F359 HydrophobicContact CD2-CE2 3.73Å; W357-F359 AromaticContact CE2-CE2 3.69Å; W357-F359 HydrophobicContact CE3-CE2 4.44Å; W357-F359 HydrophobicContact CG-CD2 4.18Å; W357-F359 AromaticContact CG-CE2 3.72Å; W357-F359 HydrophobicContact CG-CE2 3.72Å; W357-F359 HydrophobicContact CZ2-CE2 4.39Å; W357-F359 AromaticContact NE1-CD2 3.97Å; W357-F359 AromaticContact NE1-CE2 3.57Å; W357-F359 WeakPolarHBondContact O-CD2 3.42Å; W357-F359 PolarHBondContact O-N 3.42Å; F359-F363 HydrophobicContact CB-CB 4.12Å; F359-F363 HydrophobicContact CB-CD1 3.79Å; F359-F363 HydrophobicContact CB-CG 4.32Å; F359-F363 AromaticContact CD1-CD1 3.2Å; F359-F363 HydrophobicContact CD1-CD1 3.2Å; F359-F363 AromaticContact CD1-CE1 3.39Å; F359-F363 HydrophobicContact CD1-CE1 3.39Å; F359-F363 AromaticContact CD1-CG 3.98Å; F359-F363 HydrophobicContact CD1-CG 3.98Å; F359-F363 HydrophobicContact CD1-CZ 4.29Å; F359-F363 HydrophobicContact CD2-CD1 4.27Å; F359-F363 AromaticContact CE1-CD1 3.73Å; F359-F363 HydrophobicContact CE1-CD1 3.73Å; F359-F363 AromaticContact CE1-CE1 3.36Å; F359-F363 HydrophobicContact CE1-CE1 3.36Å; F359-F363 HydrophobicContact CE1-CZ 4.1Å; F359-F363 AromaticContact CG-CD1 3.5Å; F359-F363 HydrophobicContact CG-CD1 3.5Å; F359-F363 VanDerWaalsContact CG-CD1 3.5Å; F359-F363 AromaticContact CG-CE1 3.98Å; F359-F363 HydrophobicContact CG-CE1 3.98Å; F359-F363 HydrophobicContact CG-CG 4.39Å; F359-F363 HydrophobicContact CZ-CD1 4.47Å; F359-F363 AromaticContact CZ-CE1 3.98Å; F359-F363 HydrophobicContact CZ-CE1 3.98Å; F359-W373 HydrophobicContact CE2-CZ3 4.47Å; F359-W373 HydrophobicContact CZ-CE3 4.25Å; F359-W373 AromaticContact CZ-CZ3 3.9Å; F359-W373 HydrophobicContact CZ-CZ3 3.9Å; F359-Q376 HydrophobicContact CE1-CB 3.96Å; F359-Q376 HydrophobicContact CE1-CG 3.55Å; F359-Q376 HydrophobicContact CZ-CB 4.3Å; F359-Q376 HydrophobicContact CZ-CG 3.66Å
360P67.3Low74Confident81 Ų8167.2 Ų67.253%0.52635%0.347SS..  trans-52.7144.5166.4-21.731.9000110.2E362 F363P360-E362 PolarHBondContact O-N 3.48Å; P360-F363 PolarHBondContact O-N 2.93Å
361P65.6Low73.6Confident142 Ų14271.9 Ų71.992%0.92237%0.371SS*.THydrogen-bonded Turntrans-58.5-18.6-178.722-32.2000113.8
362E63Low73.2Confident183 Ų18372.1 Ų72.186%0.85537%0.372SS*.THydrogen-bonded Turntrans-79.8-20.7176.2-60.3172.8-173.200113.5P360P360-E362 PolarHBondContact O-N 3.48Å
363F68.2Low73.1Confident26 Ų2669.2 Ų69.211%0.11436%0.357CS..  trans-89.8111.9-173.7-177.2-89.5000111F359 P360 P365 Q372 W373F359-F363 HydrophobicContact CB-CB 4.12Å; F359-F363 HydrophobicContact CB-CD1 3.79Å; F359-F363 HydrophobicContact CB-CG 4.32Å; F359-F363 AromaticContact CD1-CD1 3.2Å; F359-F363 HydrophobicContact CD1-CD1 3.2Å; F359-F363 AromaticContact CD1-CE1 3.39Å; F359-F363 HydrophobicContact CD1-CE1 3.39Å; F359-F363 AromaticContact CD1-CG 3.98Å; F359-F363 HydrophobicContact CD1-CG 3.98Å; F359-F363 HydrophobicContact CD1-CZ 4.29Å; F359-F363 HydrophobicContact CD2-CD1 4.27Å; F359-F363 AromaticContact CE1-CD1 3.73Å; F359-F363 HydrophobicContact CE1-CD1 3.73Å; F359-F363 AromaticContact CE1-CE1 3.36Å; F359-F363 HydrophobicContact CE1-CE1 3.36Å; F359-F363 HydrophobicContact CE1-CZ 4.1Å; F359-F363 AromaticContact CG-CD1 3.5Å; F359-F363 HydrophobicContact CG-CD1 3.5Å; F359-F363 VanDerWaalsContact CG-CD1 3.5Å; F359-F363 AromaticContact CG-CE1 3.98Å; F359-F363 HydrophobicContact CG-CE1 3.98Å; F359-F363 HydrophobicContact CG-CG 4.39Å; F359-F363 HydrophobicContact CZ-CD1 4.47Å; F359-F363 AromaticContact CZ-CE1 3.98Å; F359-F363 HydrophobicContact CZ-CE1 3.98Å; P360-F363 PolarHBondContact O-N 2.93Å; F363-P365 HydrophobicContact CE1-CB 4.35Å; F363-Q372 HydrophobicContact CE2-CB 3.83Å; F363-W373 HydrophobicContact CE1-CE3 4.1Å; F363-W373 HydrophobicContact CZ-CB 4.11Å; F363-W373 HydrophobicContact CZ-CE3 4.12Å
364N71.2Confident72.9Confident29 Ų2975.3 Ų75.316%0.15538%0.383CS..  trans-102.5120.6171.3-177.3-15.3000109.1L366 Y367N364-L366 PolarHBondContact O-N 2.86Å; N364-L366 VanDerWaalsContact OD1-CB 3.31Å; N364-L366 WeakPolarHBondContact OD1-CB 3.22Å; N364-L366 WeakPolarHBondContact OD1-CG 3.34Å; N364-L366 PolarHBondContact OD1-N 2.97Å; N364-Y367 HydrophobicContact CB-CD2 3.49Å; N364-Y367 VanDerWaalsContact CB-CD2 3.49Å; N364-Y367 HydrophobicContact CB-CE2 3.66Å; N364-Y367 HydrophobicContact CB-CG 4.33Å; N364-Y367 PolarHBondContact O-N 3.47Å
365P70Confident72.9Confident13 Ų1379.9 Ų79.98%0.08440%0.4CS..THydrogen-bonded Turntrans-62.6-16.4-17826.1-35.5000113.7F269 R327 L331 F363 W373F269-P365 HydrophobicContact CD2-CG 3.83Å; F269-P365 HydrophobicContact CE2-CG 3.94Å; R327-P365 WeakPolarHBondContact CG-O 3.37Å; R327-P365 PolarHBondContact NH1-O 2.83Å; L331-P365 HydrophobicContact CD1-CB 4.49Å; L331-P365 HydrophobicContact CD2-CB 4.15Å; F363-P365 HydrophobicContact CE1-CB 4.35Å; P365-W373 HydrophobicContact CB-CE3 4.09Å; P365-W373 HydrophobicContact CB-CH2 4.43Å; P365-W373 HydrophobicContact CB-CZ3 3.75Å
366L76.1Confident73Confident0 Ų076.7 Ų76.70%038%0.384CS..THydrogen-bonded Turntrans-74-30.8174.1-64.4172.1000112.6H261 L264 F269 L328 L331 N364 C368H261-L366 PolarHBondContact CE1-O 2.83Å; L264-L366 HydrophobicContact CB-CD1 3.58Å; L264-L366 HydrophobicContact CB-CD2 4.29Å; L264-L366 HydrophobicContact CD1-CD2 4.09Å; F269-L366 HydrophobicContact CE2-CD1 4.29Å; F269-L366 HydrophobicContact CE2-CD2 4.26Å; F269-L366 HydrophobicContact CE2-CG 4.01Å; F269-L366 HydrophobicContact CZ-CD1 4.05Å; F269-L366 HydrophobicContact CZ-CD2 3.73Å; F269-L366 HydrophobicContact CZ-CG 3.9Å; L328-L366 HydrophobicContact CD2-CD2 3.59Å; L331-L366 HydrophobicContact CD1-CD2 4.35Å; N364-L366 PolarHBondContact O-N 2.86Å; N364-L366 VanDerWaalsContact OD1-CB 3.31Å; N364-L366 WeakPolarHBondContact OD1-CB 3.22Å; N364-L366 WeakPolarHBondContact OD1-CG 3.34Å; N364-L366 PolarHBondContact OD1-N 2.97Å; L366-C368 PolarHBondContact O-N 2.87Å
367Y70.1Confident73.3Confident104 Ų10475.6 Ų75.641%0.40838%0.378SS..SBendtrans-69.4121.2174.3-63-47000108.2R327 N364 N369R327-Y367 PolarHBondContact NH1-O 2.84Å; N364-Y367 HydrophobicContact CB-CD2 3.49Å; N364-Y367 VanDerWaalsContact CB-CD2 3.49Å; N364-Y367 HydrophobicContact CB-CE2 3.66Å; N364-Y367 HydrophobicContact CB-CG 4.33Å; N364-Y367 PolarHBondContact O-N 3.47Å; Y367-N369 PolarHBondContact O-N 3.11Å
368C60.7Low73.9Confident43 Ų4377.1 Ų77.129%0.29139%0.387SS..  trans-71.752.6-179.3-59.20000112.1L366 D370L366-C368 PolarHBondContact O-N 2.87Å; C368-D370 PolarHBondContact O-N 3.26Å; C368-D370 VanDerWaalsContact O-N 3.14Å
369N64Low74.6Confident95 Ų9575.9 Ų75.951%0.50838%0.379SS..  trans-77.689.4167.5-71.9-8.9000107.8Y367 D371 W373Y367-N369 PolarHBondContact O-N 3.11Å; N369-D371 PolarHBondContact O-N 3.31Å; N369-W373 PolarHBondContact O-N 2.88Å
370D67.9Low75.5Confident80 Ų8073.8 Ų73.843%0.42837%0.37SS..Hα-helixtrans-63.7-38.1-162-69.5-33.3000114.2R327 C368 K374R327-D370 IonicContact NH2-OD1 3.71Å; R327-D370 PolarHBondContact NH2-OD1 3.27Å; C368-D370 PolarHBondContact O-N 3.26Å; C368-D370 VanDerWaalsContact O-N 3.14Å; D370-K374 WeakPolarHBondContact O-CB 3.1Å; D370-K374 PolarHBondContact O-N 3.37Å
371D77.3Confident76.8Confident128 Ų12870.4 Ų70.468%0.68435%0.347SS*.Hα-helixtrans-71.6-43.4-172.3-73.2-23000114.3N369 K375N369-D371 PolarHBondContact O-N 3.31Å; D371-K375 WeakPolarHBondContact O-CG 3.35Å; D371-K375 PolarHBondContact O-N 2.93Å
372Q75.8Confident78Confident126 Ų12670.2 Ų70.259%0.58933%0.328SS*.Hα-helixtrans-71.3-44.7-179.2-72.6-177.6-12.300111F363 Q376F363-Q372 HydrophobicContact CE2-CB 3.83Å; Q372-Q376 PolarHBondContact O-N 3.28Å
373W83.1Confident79.4Confident4 Ų465.1 Ų65.12%0.01530%0.303CS..Hα-helixtrans-61.8-48.2177174.3-102.4000111.4R327 L331 L334 W357 F359 F363 P365 N369 K375 Q376 A377R327-W373 VanDerWaalsContact NH2-CD1 3.31Å; L331-W373 HydrophobicContact CD2-CH2 3.32Å; L331-W373 HydrophobicContact CD2-CZ2 3.85Å; L331-W373 HydrophobicContact CD2-CZ3 4.09Å; L331-W373 HydrophobicContact CG-CH2 4.12Å; L331-W373 HydrophobicContact CG-CZ2 4.14Å; L334-W373 HydrophobicContact CD1-CH2 4.18Å; L334-W373 HydrophobicContact CD1-CZ2 3.99Å; W357-W373 AromaticContact CH2-CH2 3.66Å; W357-W373 HydrophobicContact CH2-CH2 3.66Å; W357-W373 HydrophobicContact CH2-CZ3 4.21Å; W357-W373 AromaticContact CZ2-CH2 3.98Å; W357-W373 HydrophobicContact CZ2-CH2 3.98Å; W357-W373 HydrophobicContact CZ2-CZ3 4.2Å; W357-W373 HydrophobicContact CZ3-CH2 4.49Å; F359-W373 HydrophobicContact CE2-CZ3 4.47Å; F359-W373 HydrophobicContact CZ-CE3 4.25Å; F359-W373 AromaticContact CZ-CZ3 3.9Å; F359-W373 HydrophobicContact CZ-CZ3 3.9Å; F363-W373 HydrophobicContact CE1-CE3 4.1Å; F363-W373 HydrophobicContact CZ-CB 4.11Å; F363-W373 HydrophobicContact CZ-CE3 4.12Å; P365-W373 HydrophobicContact CB-CE3 4.09Å; P365-W373 HydrophobicContact CB-CH2 4.43Å; P365-W373 HydrophobicContact CB-CZ3 3.75Å; N369-W373 PolarHBondContact O-N 2.88Å; W373-K375 VanDerWaalsContact C-N 3.34Å; W373-K375 PolarHBondContact O-N 3.22Å; W373-Q376 PolarHBondContact O-N 3.26Å; W373-Q376 VanDerWaalsContact O-N 3.09Å; W373-A377 HydrophobicContact CZ2-CB 4.31Å; W373-A377 WeakPolarHBondContact O-CB 3.28Å; W373-A377 PolarHBondContact O-N 3.33Å
374K83.1Confident80.6Confident128 Ų12863.9 Ų63.956%0.55730%0.298SS*.Hα-helixtrans-58.5-45.6-177.5-174.5177.3-179.7-179.30111.8D370 Q376 A377 E378D370-K374 WeakPolarHBondContact O-CB 3.1Å; D370-K374 PolarHBondContact O-N 3.37Å; K374-Q376 VanDerWaalsContact C-N 3.31Å; K374-Q376 PolarHBondContact O-N 2.87Å; K374-A377 PolarHBondContact O-N 3.49Å; K374-E378 WeakPolarHBondContact O-CB 3.2Å; K374-E378 VanDerWaalsContact O-CG 3.3Å; K374-E378 WeakPolarHBondContact O-CG 3.31Å; K374-E378 PolarHBondContact O-N 2.79Å
375K83.5Confident81.5Confident154 Ų15462.5 Ų62.567%0.6729%0.291SS*.Hα-helixtrans-59.1-41.8175.9-73.4176.9-177.2177.10112.1D371 W373 K379D371-K375 WeakPolarHBondContact O-CG 3.35Å; D371-K375 PolarHBondContact O-N 2.93Å; W373-K375 VanDerWaalsContact C-N 3.34Å; W373-K375 PolarHBondContact O-N 3.22Å; K375-K379 WeakPolarHBondContact O-CB 3.3Å; K375-K379 PolarHBondContact O-N 2.97Å; K375-K379 VanDerWaalsContact O-N 3.09Å
376Q83.4Confident82.5Confident41 Ų4163.8 Ų63.819%0.19230%0.302CS..Hα-helixtrans-74.3-43.9-179.6-166.170.64.600112.4L356 F359 Q372 W373 K374 E378 K379 I380L356-Q376 PolarHBondContact O-NE2 3.2Å; F359-Q376 HydrophobicContact CE1-CB 3.96Å; F359-Q376 HydrophobicContact CE1-CG 3.55Å; F359-Q376 HydrophobicContact CZ-CB 4.3Å; F359-Q376 HydrophobicContact CZ-CG 3.66Å; Q372-Q376 PolarHBondContact O-N 3.28Å; W373-Q376 PolarHBondContact O-N 3.26Å; W373-Q376 VanDerWaalsContact O-N 3.09Å; K374-Q376 VanDerWaalsContact C-N 3.31Å; K374-Q376 PolarHBondContact O-N 2.87Å; Q376-E378 VanDerWaalsContact C-N 3.32Å; Q376-E378 PolarHBondContact O-N 3.42Å; Q376-K379 WeakPolarHBondContact O-CA 3.48Å; Q376-K379 WeakPolarHBondContact O-CB 3.34Å; Q376-K379 PolarHBondContact O-N 2.86Å; Q376-I380 HydrophobicContact CG-CD1 3.93Å; Q376-I380 WeakPolarHBondContact O-CD1 3.47Å; Q376-I380 WeakPolarHBondContact O-CG1 3.28Å; Q376-I380 PolarHBondContact O-N 2.87Å
377A87.8Confident83.1Confident1 Ų163.9 Ų63.91%0.00830%0.303CS..Hα-helixtrans-56.3-48.817500000109.9L334 W373 K374 K379 I380 E381L334-A377 HydrophobicContact CD1-CB 4.47Å; W373-A377 HydrophobicContact CZ2-CB 4.31Å; W373-A377 WeakPolarHBondContact O-CB 3.28Å; W373-A377 PolarHBondContact O-N 3.33Å; K374-A377 PolarHBondContact O-N 3.49Å; A377-K379 VanDerWaalsContact C-N 3.31Å; A377-K379 PolarHBondContact O-N 3.46Å; A377-I380 PolarHBondContact O-N 2.82Å; A377-I380 VanDerWaalsContact O-N 3.12Å; A377-E381 WeakPolarHBondContact O-CB 3.21Å; A377-E381 VanDerWaalsContact O-CG 3.24Å; A377-E381 WeakPolarHBondContact O-CG 3.32Å; A377-E381 PolarHBondContact O-N 3.25Å
378E89.8Confident84Confident62 Ų6259.1 Ų59.129%0.2929%0.285SS..Hα-helixtrans-59.1-39.4174.2-73.6178.7-163.900112.7K374 Q376 I380 R382 L425K374-E378 WeakPolarHBondContact O-CB 3.2Å; K374-E378 VanDerWaalsContact O-CG 3.3Å; K374-E378 WeakPolarHBondContact O-CG 3.31Å; K374-E378 PolarHBondContact O-N 2.79Å; Q376-E378 VanDerWaalsContact C-N 3.32Å; Q376-E378 PolarHBondContact O-N 3.42Å; E378-I380 VanDerWaalsContact C-N 3.34Å; E378-R382 WeakPolarHBondContact O-CB 3.46Å; E378-R382 VanDerWaalsContact O-CG 3.23Å; E378-R382 WeakPolarHBondContact O-CG 3.31Å; E378-R382 PolarHBondContact O-N 3.36Å; E378-R382 IonicContact OE2-CZ 3.36Å; E378-R382 IonicContact OE2-NH1 3.24Å; E378-R382 IonicContact OE2-NH2 3.86Å; E378-R382 PolarHBondContact OE2-NH2 3.49Å; E378-L425 HydrophobicContact CB-CD1 4.47Å
379K88.2Confident85.2Confident110 Ų11062.6 Ų62.648%0.47829%0.292SS..Hα-helixtrans-61.8-42.8175.9-175.6-176.1177.9-175.40111.5L356 K375 Q376 A377 K383L356-K379 HydrophobicContact CD2-CD 4.42Å; K375-K379 WeakPolarHBondContact O-CB 3.3Å; K375-K379 PolarHBondContact O-N 2.97Å; K375-K379 VanDerWaalsContact O-N 3.09Å; Q376-K379 WeakPolarHBondContact O-CA 3.48Å; Q376-K379 WeakPolarHBondContact O-CB 3.34Å; Q376-K379 PolarHBondContact O-N 2.86Å; A377-K379 VanDerWaalsContact C-N 3.31Å; A377-K379 PolarHBondContact O-N 3.46Å; K379-K383 PolarHBondContact O-N 2.86Å; K379-K383 VanDerWaalsContact O-N 3.17Å
380I89.8Confident86.2Confident0 Ų063.7 Ų63.70%029%0.293CS..Hα-helixtrans-67.4-49.5178.1-65.6157.3000110.2W270 L334 L356 W357 Q376 A377 E378 R382 K383 F384W270-I380 HydrophobicContact CH2-CG2 4.36Å; L334-I380 HydrophobicContact CD2-CG2 4.07Å; L356-I380 HydrophobicContact CB-CG1 4.09Å; W357-I380 HydrophobicContact CE3-CD1 3.51Å; W357-I380 HydrophobicContact CZ3-CD1 3.5Å; W357-I380 VanDerWaalsContact CZ3-CD1 3.5Å; Q376-I380 HydrophobicContact CG-CD1 3.93Å; Q376-I380 WeakPolarHBondContact O-CD1 3.47Å; Q376-I380 WeakPolarHBondContact O-CG1 3.28Å; Q376-I380 PolarHBondContact O-N 2.87Å; A377-I380 PolarHBondContact O-N 2.82Å; A377-I380 VanDerWaalsContact O-N 3.12Å; E378-I380 VanDerWaalsContact C-N 3.34Å; I380-R382 VanDerWaalsContact C-N 3.3Å; I380-R382 PolarHBondContact O-N 2.77Å; I380-K383 PolarHBondContact O-N 2.99Å; I380-K383 VanDerWaalsContact O-N 3.09Å; I380-F384 HydrophobicContact CG2-CD1 4.21Å; I380-F384 HydrophobicContact CG2-CD2 4.35Å; I380-F384 HydrophobicContact CG2-CE1 3.95Å; I380-F384 HydrophobicContact CG2-CE2 4.1Å; I380-F384 HydrophobicContact CG2-CG 4.42Å; I380-F384 HydrophobicContact CG2-CZ 3.91Å; I380-F384 PolarHBondContact O-N 3Å
381E93.6Very high86.9Confident10 Ų1060.6 Ų60.65%0.04728%0.277CS..Hα-helixtrans-59.3-38.8178.8-68.9-177.3-163.300111.8Q330 L334 A377 F384 G385 I423 L425Q330-E381 PolarHBondContact NE2-OE1 3.49Å; L334-E381 HydrophobicContact CD2-CG 3.71Å; A377-E381 WeakPolarHBondContact O-CB 3.21Å; A377-E381 VanDerWaalsContact O-CG 3.24Å; A377-E381 WeakPolarHBondContact O-CG 3.32Å; A377-E381 PolarHBondContact O-N 3.25Å; E381-F384 PolarHBondContact O-N 3.09Å; E381-G385 PolarHBondContact O-N 2.89Å; E381-I423 HydrophobicContact CB-CG2 4.16Å; E381-I423 HydrophobicContact CG-CG2 3.57Å; E381-L425 HydrophobicContact CB-CB 3.95Å; E381-L425 HydrophobicContact CB-CD1 3.83Å; E381-L425 HydrophobicContact CB-CG 4.05Å
382R92.6Very high86.9Confident138 Ų13855.4 Ų55.452%0.52125%0.249SC..Hα-helixtrans-63.4-43.8172.9-74.8-178.7-163103.84.4112.4E378 I380 F384 G385 A386 L425E378-R382 WeakPolarHBondContact O-CB 3.46Å; E378-R382 VanDerWaalsContact O-CG 3.23Å; E378-R382 WeakPolarHBondContact O-CG 3.31Å; E378-R382 PolarHBondContact O-N 3.36Å; E378-R382 IonicContact OE2-CZ 3.36Å; E378-R382 IonicContact OE2-NH1 3.24Å; E378-R382 IonicContact OE2-NH2 3.86Å; E378-R382 PolarHBondContact OE2-NH2 3.49Å; I380-R382 VanDerWaalsContact C-N 3.3Å; I380-R382 PolarHBondContact O-N 2.77Å; R382-F384 VanDerWaalsContact C-N 3.34Å; R382-G385 PolarHBondContact O-N 3.24Å; R382-A386 PolarHBondContact O-N 3.12Å; R382-L425 HydrophobicContact CG-CD1 3.62Å
383K91Very high86.7Confident75 Ų7556.2 Ų56.233%0.32626%0.257SS..Hα-helixtrans-64.4-42.4176.1-176.969.3172.9175.10110.7L356 K379 I380 G385 A386 L387L356-K383 HydrophobicContact CD1-CB 3.73Å; L356-K383 HydrophobicContact CD1-CG 3.78Å; K379-K383 PolarHBondContact O-N 2.86Å; K379-K383 VanDerWaalsContact O-N 3.17Å; I380-K383 PolarHBondContact O-N 2.99Å; I380-K383 VanDerWaalsContact O-N 3.09Å; K383-G385 VanDerWaalsContact C-N 3.3Å; K383-G385 PolarHBondContact O-N 2.63Å; K383-A386 PolarHBondContact O-N 3.41Å; K383-L387 HydrophobicContact CD-CD1 4.47Å; K383-L387 HydrophobicContact CD-CG 4.36Å; K383-L387 HydrophobicContact CG-CD1 4.07Å; K383-L387 HydrophobicContact CG-CG 4.33Å; K383-L387 WeakPolarHBondContact O-CG 3.17Å; K383-L387 PolarHBondContact O-N 3.26Å
384F93.5Very high86.3Confident0 Ų063.6 Ų63.60%029%0.291CS..Hα-helixtrans-61.2-40.8176.1-77.311000111.3W270 L334 K338 L341 M353 I380 E381 R382 T388 L420 I423 V426W270-F384 HydrophobicContact CH2-CE2 4.38Å; W270-F384 AromaticContact CH2-CZ 3.67Å; W270-F384 HydrophobicContact CH2-CZ 3.67Å; W270-F384 HydrophobicContact CZ2-CZ 4.09Å; L334-F384 HydrophobicContact CD2-CD2 4.48Å; L334-F384 HydrophobicContact CD2-CE2 4.39Å; L334-F384 WeakPolarHBondContact O-CE2 3.49Å; K338-F384 HydrophobicContact CB-CE2 4.4Å; K338-F384 HydrophobicContact CB-CZ 3.78Å; K338-F384 HydrophobicContact CG-CZ 4.37Å; L341-F384 HydrophobicContact CD1-CB 3.92Å; L341-F384 HydrophobicContact CD1-CD1 3.4Å; L341-F384 VanDerWaalsContact CD1-CD1 3.4Å; L341-F384 HydrophobicContact CD1-CD2 4.03Å; L341-F384 HydrophobicContact CD1-CE1 3.79Å; L341-F384 HydrophobicContact CD1-CE2 4.37Å; L341-F384 HydrophobicContact CD1-CG 3.52Å; L341-F384 HydrophobicContact CD1-CZ 4.24Å; M353-F384 HydrophobicContact CG-CE1 4.39Å; M353-F384 HydrophobicContact SD-CD1 4.35Å; M353-F384 HydrophobicContact SD-CE1 3.85Å; I380-F384 HydrophobicContact CG2-CD1 4.21Å; I380-F384 HydrophobicContact CG2-CD2 4.35Å; I380-F384 HydrophobicContact CG2-CE1 3.95Å; I380-F384 HydrophobicContact CG2-CE2 4.1Å; I380-F384 HydrophobicContact CG2-CG 4.42Å; I380-F384 HydrophobicContact CG2-CZ 3.91Å; I380-F384 PolarHBondContact O-N 3Å; E381-F384 PolarHBondContact O-N 3.09Å; R382-F384 VanDerWaalsContact C-N 3.34Å; F384-T388 VanDerWaalsContact O-CB 3.24Å; F384-T388 WeakPolarHBondContact O-CB 3.47Å; F384-T388 PolarHBondContact O-N 2.99Å; F384-T388 PolarHBondContact O-OG1 3.01Å; F384-L420 HydrophobicContact CB-CD1 4.48Å; F384-L420 HydrophobicContact CD2-CD1 4.33Å; F384-I423 HydrophobicContact CD2-CD1 3.84Å; F384-I423 HydrophobicContact CE2-CD1 4.34Å; F384-V426 HydrophobicContact CB-CG2 3.75Å
385G91.5Very high85.9Confident1 Ų159.3 Ų59.31%0.0128%0.275CS..Hα-helixtrans-58.6-52.4174.100000111.7E381 R382 K383 L387 T388 R389E381-G385 PolarHBondContact O-N 2.89Å; R382-G385 PolarHBondContact O-N 3.24Å; K383-G385 VanDerWaalsContact C-N 3.3Å; K383-G385 PolarHBondContact O-N 2.63Å; G385-L387 PolarHBondContact O-N 3.35Å; G385-T388 PolarHBondContact O-N 3.41Å; G385-R389 PolarHBondContact O-N 3.24Å
386A89.4Confident85.6Confident39 Ų3957.4 Ų57.432%0.32227%0.267SS..Hα-helixtrans-58.2-48179.200000112.5R382 K383 T388 R389 E390R382-A386 PolarHBondContact O-N 3.12Å; K383-A386 PolarHBondContact O-N 3.41Å; A386-T388 PolarHBondContact O-N 3.22Å; A386-R389 PolarHBondContact O-N 3.4Å; A386-E390 PolarHBondContact O-N 2.92Å; A386-E390 VanDerWaalsContact O-N 3.15Å
387L90.2Very high85.3Confident2 Ų255.7 Ų55.71%0.0126%0.259CS..Hα-helixtrans-64.2-41.1177.5-69.6177.7000112.1L341 T349 M353 K383 G385 R389 E390 I391L341-L387 HydrophobicContact CD1-CD1 4.46Å; L341-L387 HydrophobicContact CD2-CB 4.14Å; T349-L387 HydrophobicContact CG2-CD1 3.79Å; T349-L387 HydrophobicContact CG2-CD2 3.53Å; T349-L387 HydrophobicContact CG2-CG 4.33Å; M353-L387 HydrophobicContact CG-CD1 3.81Å; M353-L387 HydrophobicContact SD-CD1 3.53Å; M353-L387 VanDerWaalsContact SD-CD1 3.53Å; K383-L387 HydrophobicContact CD-CD1 4.47Å; K383-L387 HydrophobicContact CD-CG 4.36Å; K383-L387 HydrophobicContact CG-CD1 4.07Å; K383-L387 HydrophobicContact CG-CG 4.33Å; K383-L387 WeakPolarHBondContact O-CG 3.17Å; K383-L387 PolarHBondContact O-N 3.26Å; G385-L387 PolarHBondContact O-N 3.35Å; L387-R389 VanDerWaalsContact C-N 3.27Å; L387-R389 PolarHBondContact O-N 3.37Å; L387-E390 PolarHBondContact O-N 3.23Å; L387-I391 HydrophobicContact CB-CD1 4.46Å; L387-I391 WeakPolarHBondContact O-CB 3.44Å; L387-I391 WeakPolarHBondContact O-CD1 3.47Å; L387-I391 WeakPolarHBondContact O-CG1 3.44Å; L387-I391 PolarHBondContact O-N 2.67Å
388T89.1Confident84.6Confident5 Ų557.5 Ų57.53%0.03127%0.268CS..Hα-helixtrans-58.7-43.8176.7-58.40000110F384 G385 A386 E390 I391 L392 L420 L421 V426 I430F384-T388 VanDerWaalsContact O-CB 3.24Å; F384-T388 WeakPolarHBondContact O-CB 3.47Å; F384-T388 PolarHBondContact O-N 2.99Å; F384-T388 PolarHBondContact O-OG1 3.01Å; G385-T388 PolarHBondContact O-N 3.41Å; A386-T388 PolarHBondContact O-N 3.22Å; T388-E390 PolarHBondContact O-N 2.89Å; T388-I391 PolarHBondContact O-N 2.76Å; T388-L392 HydrophobicContact CG2-CG 4.3Å; T388-L392 WeakPolarHBondContact O-CB 3.43Å; T388-L392 VanDerWaalsContact O-CG 3.26Å; T388-L392 WeakPolarHBondContact O-CG 3.49Å; T388-L392 PolarHBondContact O-N 3.44Å; T388-L420 HydrophobicContact CG2-CD2 4.36Å; T388-L421 HydrophobicContact CG2-CD2 3.88Å; T388-V426 HydrophobicContact CG2-CG1 3.85Å; T388-I430 HydrophobicContact CG2-CG2 4.03Å
389R85.5Confident83.6Confident116 Ų11655.4 Ų55.444%0.43826%0.262SS..Hα-helixtrans-62.7-40.2177.7-170.5176.6-80.9153.1-0.8112.9G385 A386 L387 E429G385-R389 PolarHBondContact O-N 3.24Å; A386-R389 PolarHBondContact O-N 3.4Å; L387-R389 VanDerWaalsContact C-N 3.27Å; L387-R389 PolarHBondContact O-N 3.37Å; R389-E429 HydrophobicContact CB-CG 4.44Å; R389-E429 VanDerWaalsContact CZ-CG 3.42Å; R389-E429 IonicContact CZ-OE1 3.51Å; R389-E429 IonicContact CZ-OE2 2.68Å; R389-E429 IonicContact NE-OE1 2.75Å; R389-E429 IonicContact NH1-OE1 2.65Å; R389-E429 PolarHBondContact NH1-OE1 3.4Å; R389-E429 IonicContact NH1-OE2 3.69Å; R389-E429 PolarHBondContact NH1-OE2 3.49Å; R389-E429 VanDerWaalsContact NH2-CG 3.26Å; R389-E429 PolarHBondContact NH2-O 3.47Å; R389-E429 IonicContact NH2-OE1 2.89Å; R389-E429 PolarHBondContact NH2-OE1 2.88Å; R389-E429 IonicContact NH2-OE2 2.89Å; R389-E429 PolarHBondContact NH2-OE2 2.94Å
390E84Confident82.5Confident117 Ų11756.3 Ų56.355%0.54728%0.277SS..Hα-helixtrans-64.5-40.2175-70.2173.9-179.500112.3A386 L387 T388 H394A386-E390 PolarHBondContact O-N 2.92Å; A386-E390 VanDerWaalsContact O-N 3.15Å; L387-E390 PolarHBondContact O-N 3.23Å; T388-E390 PolarHBondContact O-N 2.89Å; E390-H394 PolarHBondContact O-ND1 2.95Å
391I83.7Confident81.2Confident15 Ų1560.5 Ų60.58%0.07730%0.299CS..Hα-helixtrans-76.2-30.6-178.5-66.4162000111.8L341 L344 V345 L387 T388 L393 H394 V395L341-I391 HydrophobicContact CD2-CD1 3.54Å; L344-I391 HydrophobicContact CB-CD1 4Å; L344-I391 HydrophobicContact CB-CG2 3.92Å; L344-I391 HydrophobicContact CD1-CG2 3.88Å; L344-I391 HydrophobicContact CG-CG2 4.4Å; V345-I391 HydrophobicContact CG1-CD1 4.34Å; V345-I391 HydrophobicContact CG2-CD1 3.75Å; L387-I391 HydrophobicContact CB-CD1 4.46Å; L387-I391 WeakPolarHBondContact O-CB 3.44Å; L387-I391 WeakPolarHBondContact O-CD1 3.47Å; L387-I391 WeakPolarHBondContact O-CG1 3.44Å; L387-I391 PolarHBondContact O-N 2.67Å; T388-I391 PolarHBondContact O-N 2.76Å; I391-L393 PolarHBondContact O-N 3.44Å; I391-H394 CarbonylContact O-C 3.48Å; I391-H394 WeakPolarHBondContact O-CA 3.47Å; I391-H394 WeakPolarHBondContact O-CB 3.38Å; I391-H394 PolarHBondContact O-N 3.39Å; I391-V395 HydrophobicContact CG2-CB 4.44Å; I391-V395 HydrophobicContact CG2-CG2 3.43Å; I391-V395 VanDerWaalsContact CG2-CG2 3.43Å; I391-V395 PolarHBondContact O-N 3.02Å
392L76.6Confident79.6Confident20 Ų2064 Ų6411%0.10532%0.323CS..Hα-helixtrans-54.7-38.5179-85177.1000112.6T388 H394 K396 L397 I430 E433T388-L392 HydrophobicContact CG2-CG 4.3Å; T388-L392 WeakPolarHBondContact O-CB 3.43Å; T388-L392 VanDerWaalsContact O-CG 3.26Å; T388-L392 WeakPolarHBondContact O-CG 3.49Å; T388-L392 PolarHBondContact O-N 3.44Å; L392-H394 VanDerWaalsContact C-N 3.26Å; L392-H394 PolarHBondContact O-N 3.23Å; L392-K396 PolarHBondContact O-N 2.76Å; L392-L397 HydrophobicContact CD2-CB 3.54Å; L392-L397 HydrophobicContact CD2-CD1 4.15Å; L392-L397 HydrophobicContact CD2-CD2 3.68Å; L392-L397 HydrophobicContact CD2-CG 3.99Å; L392-I430 HydrophobicContact CD1-CB 4.1Å; L392-I430 HydrophobicContact CD1-CG2 3.37Å; L392-I430 HydrophobicContact CG-CG2 4.47Å; L392-E433 HydrophobicContact CD1-CG 4.28Å
393L72Confident78.1Confident143 Ų14366.2 Ų66.275%0.74934%0.339SS*.Hα-helixtrans-60.8-35.3175.1-72.1165.7000112.2I391I391-L393 PolarHBondContact O-N 3.44Å
394H73.7Confident76.6Confident159 Ų15966.5 Ų66.574%0.73635%0.351SS*.Hα-helixtrans-83.9-44.3-179.2-70.783.5000112.6E390 I391 L392 K396E390-H394 PolarHBondContact O-ND1 2.95Å; I391-H394 CarbonylContact O-C 3.48Å; I391-H394 WeakPolarHBondContact O-CA 3.47Å; I391-H394 WeakPolarHBondContact O-CB 3.38Å; I391-H394 PolarHBondContact O-N 3.39Å; L392-H394 VanDerWaalsContact C-N 3.26Å; L392-H394 PolarHBondContact O-N 3.23Å; H394-K396 PolarHBondContact O-N 3.26Å
395V75.8Confident75.2Confident37 Ų3767 Ų6722%0.22435%0.354CS..Hα-helixtrans-70.7-21-178.1170.20000111.7L344 I391 L397 Y417L344-V395 HydrophobicContact CD1-CG2 4.43Å; L344-V395 HydrophobicContact CD2-CG2 4.21Å; I391-V395 HydrophobicContact CG2-CB 4.44Å; I391-V395 HydrophobicContact CG2-CG2 3.43Å; I391-V395 VanDerWaalsContact CG2-CG2 3.43Å; I391-V395 PolarHBondContact O-N 3.02Å; V395-L397 VanDerWaalsContact C-N 3.3Å; V395-L397 HydrophobicContact CG1-CD1 4.3Å; V395-L397 PolarHBondContact O-N 3.43Å; V395-Y417 HydrophobicContact CG1-CD2 4.27Å; V395-Y417 HydrophobicContact CG1-CE2 3.45Å; V395-Y417 VanDerWaalsContact CG1-CE2 3.45Å
396K76.3Confident74.7Confident115 Ų11569.5 Ų69.550%0.537%0.371SS..THydrogen-bonded Turntrans51.352.1-177.7-60.3-179.6-179.3-1800110.7L392 H394 L398L392-K396 PolarHBondContact O-N 2.76Å; H394-K396 PolarHBondContact O-N 3.26Å; K396-L398 CarbonylContact C-O 3.51Å; K396-L398 CarbonylContact O-C 3.5Å; K396-L398 PolarHBondContact O-N 3.06Å; K396-L398 VanDerWaalsContact O-N 3.13Å
397L77.4Confident74.4Confident4 Ų469 Ų692%0.02136%0.363CS..SBendtrans-50.4-39.7179.9-156.389.3000110.6L392 V395 F414 Y417 L421L392-L397 HydrophobicContact CD2-CB 3.54Å; L392-L397 HydrophobicContact CD2-CD1 4.15Å; L392-L397 HydrophobicContact CD2-CD2 3.68Å; L392-L397 HydrophobicContact CD2-CG 3.99Å; V395-L397 VanDerWaalsContact C-N 3.3Å; V395-L397 HydrophobicContact CG1-CD1 4.3Å; V395-L397 PolarHBondContact O-N 3.43Å; L397-F414 HydrophobicContact CD2-CD1 3.81Å; L397-F414 HydrophobicContact CD2-CD2 3.78Å; L397-F414 HydrophobicContact CD2-CE1 3.47Å; L397-F414 VanDerWaalsContact CD2-CE1 3.47Å; L397-F414 HydrophobicContact CD2-CE2 3.44Å; L397-F414 VanDerWaalsContact CD2-CE2 3.44Å; L397-F414 HydrophobicContact CD2-CG 3.97Å; L397-F414 HydrophobicContact CD2-CZ 3.29Å; L397-F414 HydrophobicContact CG-CD2 3.93Å; L397-F414 HydrophobicContact CG-CE2 3.81Å; L397-F414 HydrophobicContact CG-CG 4.4Å; L397-F414 HydrophobicContact CG-CZ 4.17Å; L397-Y417 HydrophobicContact CD1-CD2 3.83Å; L397-Y417 HydrophobicContact CD1-CE2 4.39Å; L397-L421 HydrophobicContact CD1-CD1 4.35Å; L397-L421 HydrophobicContact CD2-CD1 4.05Å
398L73.4Confident74.1Confident39 Ų3974.7 Ų74.720%0.20439%0.389CS..SBendtrans-101.7130.9163-60.8173.6000109.2K396 T410 F414 E433 T436K396-L398 CarbonylContact C-O 3.51Å; K396-L398 CarbonylContact O-C 3.5Å; K396-L398 PolarHBondContact O-N 3.06Å; K396-L398 VanDerWaalsContact O-N 3.13Å; L398-T410 HydrophobicContact CD2-CG2 3.95Å; L398-F414 HydrophobicContact CD2-CE2 4.01Å; L398-F414 HydrophobicContact CD2-CZ 4.35Å; L398-E433 HydrophobicContact CD1-CB 3.95Å; L398-E433 HydrophobicContact CD1-CG 3.91Å; L398-T436 HydrophobicContact CD1-CG2 3.81Å; L398-T436 HydrophobicContact CD2-CG2 4.13Å
399A67.7Low73.8Confident19 Ų1978.4 Ų78.416%0.15741%0.406CS..  trans-64.2140.3175.400000111N401A399-N401 PolarHBondContact O-N 2.78Å
400T65.9Low73.7Confident128 Ų12872.9 Ų72.979%0.78539%0.385SS*.SBendtrans-59.3-26.7177.240.10000112.9
401N62.7Low73.8Confident89 Ų8968 Ų6848%0.47636%0.363SS..SBendtrans-119.7114.6173-152.4-4.4000109.3A399 E403 S404A399-N401 PolarHBondContact O-N 2.78Å; N401-E403 PolarHBondContact O-N 3.22Å; N401-S404 PolarHBondContact O-N 3.18Å; N401-S404 VanDerWaalsContact O-N 3.1Å; N401-S404 PolarHBondContact O-OG 3.17Å; N401-S404 VanDerWaalsContact O-OG 3.09Å
402P59.9Low74Confident84 Ų8472.2 Ų72.255%0.54538%0.383SS..G310 helixtrans-60.7-26.7-17820.7-30.5000113.4S404P402-S404 VanDerWaalsContact C-N 3.33Å; P402-S404 PolarHBondContact O-N 3.42Å
403E60.8Low74.4Confident183.5 Ų183.574.8 Ų74.886%0.85739%0.391SS*.G310 helixtrans-76-18.9178.5-62.5-169.3166.200113.9N401N401-E403 PolarHBondContact O-N 3.22Å
404S59.1Low75.2Confident82 Ų8268.1 Ų68.157%0.57336%0.356SS*.G310 helixtrans-90.6-12.3-172.471.10000114.8N401 P402N401-S404 PolarHBondContact O-N 3.18Å; N401-S404 VanDerWaalsContact O-N 3.1Å; N401-S404 PolarHBondContact O-OG 3.17Å; N401-S404 VanDerWaalsContact O-OG 3.09Å; P402-S404 VanDerWaalsContact C-N 3.33Å; P402-S404 PolarHBondContact O-N 3.42Å
405S65.5Low75.9Confident9 Ų963.2 Ų63.26%0.06334%0.335CS..SBendtrans-123.2120.4-176118.30000110.7T410 R413 R440S405-T410 PolarHBondContact OG-OG1 3.11Å; S405-R413 PolarHBondContact OG-NH1 2.97Å; S405-R440 PolarHBondContact OG-NH1 3.01Å
406S80.3Confident76.4Confident54 Ų5468.3 Ų68.338%0.37835%0.354SS..  trans-58.6151.717465.70000111.4H408 E409 T410S406-H408 PolarHBondContact O-N 3.12Å; S406-E409 PolarHBondContact O-N 3.38Å; S406-E409 VanDerWaalsContact O-N 3.15Å; S406-E409 VanDerWaalsContact OG-CD 3.29Å; S406-E409 VanDerWaalsContact OG-CG 3.29Å; S406-E409 WeakPolarHBondContact OG-CG 3.31Å; S406-E409 PolarHBondContact OG-N 2.92Å; S406-E409 PolarHBondContact OG-OE1 2.89Å; S406-T410 PolarHBondContact O-N 3.24Å; S406-T410 VanDerWaalsContact O-N 3.11Å; S406-T410 PolarHBondContact O-OG1 3.23Å; S406-T410 VanDerWaalsContact O-OG1 3.07Å
407L82.7Confident76.9Confident29 Ų2964 Ų6415%0.15233%0.334CS..Hα-helixtrans-56-37.5174175.865.3000110.6T410 L411 L437 R440 V441 Q444L407-T410 WeakPolarHBondContact O-CB 3.43Å; L407-T410 PolarHBondContact O-N 3.41Å; L407-L411 HydrophobicContact CD1-CD1 4.2Å; L407-L411 HydrophobicContact CD1-CG 4.16Å; L407-L411 HydrophobicContact CD2-CD1 4.24Å; L407-L411 HydrophobicContact CG-CD1 3.82Å; L407-L411 HydrophobicContact CG-CG 4.26Å; L407-L411 WeakPolarHBondContact O-CB 3.25Å; L407-L411 WeakPolarHBondContact O-CG 3.43Å; L407-L411 PolarHBondContact O-N 3.07Å; L407-L437 HydrophobicContact CD1-CD1 4.36Å; L407-R440 HydrophobicContact CD1-CB 3.95Å; L407-V441 HydrophobicContact CD1-CG2 3.88Å; L407-V441 HydrophobicContact CD2-CG2 4.29Å; L407-Q444 HydrophobicContact CD2-CB 3.52Å; L407-Q444 HydrophobicContact CD2-CG 3.7Å
408H83.2Confident77.5Confident121 Ų12166.3 Ų66.356%0.5634%0.344SS*.Hα-helixtrans-60.9-47.7178.7-171.372.6000112S406 T410 L411 Q412S406-H408 PolarHBondContact O-N 3.12Å; H408-T410 VanDerWaalsContact C-N 3.28Å; H408-T410 PolarHBondContact O-N 3.33Å; H408-L411 PolarHBondContact O-N 2.82Å; H408-Q412 PolarHBondContact CE1-NE2 3.29Å; H408-Q412 PolarHBondContact NE2-NE2 3.21Å; H408-Q412 WeakPolarHBondContact O-CB 3.48Å; H408-Q412 VanDerWaalsContact O-CG 3.22Å; H408-Q412 WeakPolarHBondContact O-CG 3.37Å; H408-Q412 PolarHBondContact O-N 3.21Å
409E83.1Confident78.1Confident82.5 Ų82.567.6 Ų67.639%0.38635%0.352SS..Hα-helixtrans-60.3-39.7174.2-76161.6-127.300112.4S406 Q412 R413S406-E409 PolarHBondContact O-N 3.38Å; S406-E409 VanDerWaalsContact O-N 3.15Å; S406-E409 VanDerWaalsContact OG-CD 3.29Å; S406-E409 VanDerWaalsContact OG-CG 3.29Å; S406-E409 WeakPolarHBondContact OG-CG 3.31Å; S406-E409 PolarHBondContact OG-N 2.92Å; S406-E409 PolarHBondContact OG-OE1 2.89Å; E409-Q412 PolarHBondContact O-N 2.91Å; E409-R413 WeakPolarHBondContact O-CG 3.26Å; E409-R413 PolarHBondContact O-N 3.33Å; E409-R413 IonicContact OE2-NH2 3.3Å; E409-R413 PolarHBondContact OE2-NH2 3.01Å; E409-R413 VanDerWaalsContact OE2-NH2 3.16Å
410T84.2Confident79.2Confident0 Ų066.9 Ų66.90%035%0.345CS..Hα-helixtrans-62.8-51.1177.8-49.50000109.8L398 S405 S406 L407 H408 Q412 R413 F414 L437 R440L398-T410 HydrophobicContact CD2-CG2 3.95Å; S405-T410 PolarHBondContact OG-OG1 3.11Å; S406-T410 PolarHBondContact O-N 3.24Å; S406-T410 VanDerWaalsContact O-N 3.11Å; S406-T410 PolarHBondContact O-OG1 3.23Å; S406-T410 VanDerWaalsContact O-OG1 3.07Å; L407-T410 WeakPolarHBondContact O-CB 3.43Å; L407-T410 PolarHBondContact O-N 3.41Å; H408-T410 VanDerWaalsContact C-N 3.28Å; H408-T410 PolarHBondContact O-N 3.33Å; T410-Q412 VanDerWaalsContact C-N 3.34Å; T410-Q412 PolarHBondContact O-N 3.32Å; T410-R413 WeakPolarHBondContact O-CB 3.47Å; T410-R413 PolarHBondContact O-N 3.23Å; T410-R413 VanDerWaalsContact O-N 3.13Å; T410-F414 HydrophobicContact CG2-CD2 4.24Å; T410-F414 HydrophobicContact CG2-CE2 4.05Å; T410-F414 WeakPolarHBondContact O-CD2 3.42Å; T410-F414 PolarHBondContact O-N 3.19Å; T410-F414 VanDerWaalsContact O-N 3.12Å; T410-L437 HydrophobicContact CG2-CD1 4.12Å; T410-R440 PolarHBondContact OG1-NH1 2.98Å
411L87Confident80.3Confident14 Ų1461 Ų617%0.07331%0.309CS..Hα-helixtrans-59.9-43.3178-124.9115.5000111.8L407 H408 R413 F414 L415 L437 V441 L487 T490 V491 L494L407-L411 HydrophobicContact CD1-CD1 4.2Å; L407-L411 HydrophobicContact CD1-CG 4.16Å; L407-L411 HydrophobicContact CD2-CD1 4.24Å; L407-L411 HydrophobicContact CG-CD1 3.82Å; L407-L411 HydrophobicContact CG-CG 4.26Å; L407-L411 WeakPolarHBondContact O-CB 3.25Å; L407-L411 WeakPolarHBondContact O-CG 3.43Å; L407-L411 PolarHBondContact O-N 3.07Å; H408-L411 PolarHBondContact O-N 2.82Å; L411-R413 VanDerWaalsContact C-N 3.29Å; L411-R413 PolarHBondContact O-N 3.42Å; L411-F414 PolarHBondContact O-N 3.3Å; L411-F414 VanDerWaalsContact O-N 3.15Å; L411-L415 HydrophobicContact CG-CD1 4.05Å; L411-L415 HydrophobicContact CG-CG 4.37Å; L411-L415 WeakPolarHBondContact O-CB 3.49Å; L411-L415 VanDerWaalsContact O-CG 3.28Å; L411-L415 WeakPolarHBondContact O-CG 3.38Å; L411-L415 PolarHBondContact O-N 2.94Å; L411-L437 HydrophobicContact CD1-CD1 4.47Å; L411-L437 HydrophobicContact CD1-CD2 4.48Å; L411-L437 HydrophobicContact CD2-CD1 3.85Å; L411-L437 HydrophobicContact CD2-CD2 4.32Å; L411-L437 HydrophobicContact CD2-CG 4.48Å; L411-L437 HydrophobicContact CG-CD1 4.29Å; L411-V441 HydrophobicContact CD2-CG2 4.31Å; L411-L487 HydrophobicContact CD1-CD1 3.6Å; L411-L487 HydrophobicContact CD2-CD1 3.83Å; L411-T490 HydrophobicContact CD1-CG2 4.31Å; L411-T490 HydrophobicContact CD2-CG2 3.95Å; L411-T490 HydrophobicContact CG-CG2 4.28Å; L411-V491 HydrophobicContact CD1-CG2 3.65Å; L411-V491 HydrophobicContact CD2-CG2 3.96Å; L411-V491 VanDerWaalsContact CD2-CG2 3.46Å; L411-L494 HydrophobicContact CD1-CD1 4.46Å
412Q86.5Confident81.6Confident105 Ų10558.5 Ų58.549%0.49130%0.298SS..Hα-helixtrans-60-38176.2-74.9-108-5.800112.4H408 E409 T410 L415 K416H408-Q412 PolarHBondContact CE1-NE2 3.29Å; H408-Q412 PolarHBondContact NE2-NE2 3.21Å; H408-Q412 WeakPolarHBondContact O-CB 3.48Å; H408-Q412 VanDerWaalsContact O-CG 3.22Å; H408-Q412 WeakPolarHBondContact O-CG 3.37Å; H408-Q412 PolarHBondContact O-N 3.21Å; E409-Q412 PolarHBondContact O-N 2.91Å; T410-Q412 VanDerWaalsContact C-N 3.34Å; T410-Q412 PolarHBondContact O-N 3.32Å; Q412-L415 PolarHBondContact O-N 2.84Å; Q412-K416 WeakPolarHBondContact O-CB 3.34Å; Q412-K416 PolarHBondContact O-N 3.19Å
413R84.5Confident83.1Confident74.5 Ų74.554.5 Ų54.528%0.28127%0.272SS..Hα-helixtrans-64.6-43.1174.4-70.6174.5-162.8135.411.1111.7S405 E409 T410 L411 K416 Y417S405-R413 PolarHBondContact OG-NH1 2.97Å; E409-R413 WeakPolarHBondContact O-CG 3.26Å; E409-R413 PolarHBondContact O-N 3.33Å; E409-R413 IonicContact OE2-NH2 3.3Å; E409-R413 PolarHBondContact OE2-NH2 3.01Å; E409-R413 VanDerWaalsContact OE2-NH2 3.16Å; T410-R413 WeakPolarHBondContact O-CB 3.47Å; T410-R413 PolarHBondContact O-N 3.23Å; T410-R413 VanDerWaalsContact O-N 3.13Å; L411-R413 VanDerWaalsContact C-N 3.29Å; L411-R413 PolarHBondContact O-N 3.42Å; R413-K416 PolarHBondContact O-N 3.24Å; R413-Y417 WeakPolarHBondContact O-CD2 3.33Å
414F88.9Confident84.4Confident1 Ų149.6 Ų49.60%0.00426%0.256CS..Hα-helixtrans-63.6-45174.9-85.2-102.3000111.8L397 L398 T410 L411 K416 Y417 K418 L421 E433 R434 L437 L494L397-F414 HydrophobicContact CD2-CD1 3.81Å; L397-F414 HydrophobicContact CD2-CD2 3.78Å; L397-F414 HydrophobicContact CD2-CE1 3.47Å; L397-F414 VanDerWaalsContact CD2-CE1 3.47Å; L397-F414 HydrophobicContact CD2-CE2 3.44Å; L397-F414 VanDerWaalsContact CD2-CE2 3.44Å; L397-F414 HydrophobicContact CD2-CG 3.97Å; L397-F414 HydrophobicContact CD2-CZ 3.29Å; L397-F414 HydrophobicContact CG-CD2 3.93Å; L397-F414 HydrophobicContact CG-CE2 3.81Å; L397-F414 HydrophobicContact CG-CG 4.4Å; L397-F414 HydrophobicContact CG-CZ 4.17Å; L398-F414 HydrophobicContact CD2-CE2 4.01Å; L398-F414 HydrophobicContact CD2-CZ 4.35Å; T410-F414 HydrophobicContact CG2-CD2 4.24Å; T410-F414 HydrophobicContact CG2-CE2 4.05Å; T410-F414 WeakPolarHBondContact O-CD2 3.42Å; T410-F414 PolarHBondContact O-N 3.19Å; T410-F414 VanDerWaalsContact O-N 3.12Å; L411-F414 PolarHBondContact O-N 3.3Å; L411-F414 VanDerWaalsContact O-N 3.15Å; F414-K416 VanDerWaalsContact C-N 3.33Å; F414-K416 PolarHBondContact O-N 3.26Å; F414-Y417 CarbonylContact O-C 3.58Å; F414-Y417 PolarHBondContact O-N 3.02Å; F414-Y417 VanDerWaalsContact O-N 3.15Å; F414-K418 PolarHBondContact O-N 3.09Å; F414-L421 HydrophobicContact CD1-CD1 3.87Å; F414-L421 HydrophobicContact CE1-CD1 4.47Å; F414-L421 HydrophobicContact CG-CD1 4.42Å; F414-E433 HydrophobicContact CZ-CB 4.32Å; F414-R434 HydrophobicContact CE1-CG 4.35Å; F414-L437 HydrophobicContact CB-CD2 4.33Å; F414-L437 HydrophobicContact CD1-CD2 3.69Å; F414-L437 HydrophobicContact CD2-CD1 4.26Å; F414-L437 HydrophobicContact CD2-CD2 4.05Å; F414-L437 HydrophobicContact CE1-CB 4.25Å; F414-L437 HydrophobicContact CE1-CD2 3.87Å; F414-L437 HydrophobicContact CE2-CB 4.14Å; F414-L437 HydrophobicContact CE2-CD1 4.27Å; F414-L437 HydrophobicContact CE2-CD2 4.22Å; F414-L437 HydrophobicContact CE2-CG 4.44Å; F414-L437 HydrophobicContact CG-CD2 3.77Å; F414-L437 HydrophobicContact CZ-CB 3.85Å; F414-L437 HydrophobicContact CZ-CD2 4.12Å; F414-L437 HydrophobicContact CZ-CG 4.46Å; F414-L494 HydrophobicContact CB-CD1 3.83Å; F414-L494 HydrophobicContact CD1-CD1 4.44Å
415L88.1Confident85.9Confident57 Ų5748.5 Ų48.530%0.29824%0.243SC..Hα-helixtrans-65-35.8180-69.1172000112.7L411 Q412 Y417 K418 T490 L494L411-L415 HydrophobicContact CG-CD1 4.05Å; L411-L415 HydrophobicContact CG-CG 4.37Å; L411-L415 WeakPolarHBondContact O-CB 3.49Å; L411-L415 VanDerWaalsContact O-CG 3.28Å; L411-L415 WeakPolarHBondContact O-CG 3.38Å; L411-L415 PolarHBondContact O-N 2.94Å; Q412-L415 PolarHBondContact O-N 2.84Å; L415-Y417 PolarHBondContact O-N 3.31Å; L415-K418 HydrophobicContact CD2-CD 4.43Å; L415-K418 VanDerWaalsContact O-CB 3.24Å; L415-K418 WeakPolarHBondContact O-CB 3.47Å; L415-K418 PolarHBondContact O-N 3.09Å; L415-K418 VanDerWaalsContact O-N 3.16Å; L415-T490 HydrophobicContact CD1-CG2 3.51Å; L415-T490 HydrophobicContact CD2-CG2 3.7Å; L415-T490 HydrophobicContact CG-CG2 4.08Å; L415-L494 HydrophobicContact CD2-CD1 4.33Å
416K86.8Confident87.2Confident143.5 Ų143.548.1 Ų48.162%0.62424%0.24SC*.Hα-helixtrans-56.9-33.1175-176.5-177.6177.1-164.30112.4Q412 R413 F414Q412-K416 WeakPolarHBondContact O-CB 3.34Å; Q412-K416 PolarHBondContact O-N 3.19Å; R413-K416 PolarHBondContact O-N 3.24Å; F414-K416 VanDerWaalsContact C-N 3.33Å; F414-K416 PolarHBondContact O-N 3.26Å
417Y88.3Confident87.6Confident24 Ų2446.7 Ų46.79%0.09423%0.228CC..THydrogen-bonded Turntrans-110.213.8-178.5-55.2-62.3000112.7I340 L344 V395 L397 R413 F414 L415 D419 L420 L421I340-Y417 HydrophobicContact CG2-CD1 3.55Å; I340-Y417 HydrophobicContact CG2-CE1 4.22Å; I340-Y417 HydrophobicContact CG2-CG 4.47Å; L344-Y417 HydrophobicContact CD1-CD1 4.26Å; L344-Y417 HydrophobicContact CD1-CE1 3.86Å; L344-Y417 HydrophobicContact CD2-CE1 4.34Å; V395-Y417 HydrophobicContact CG1-CD2 4.27Å; V395-Y417 HydrophobicContact CG1-CE2 3.45Å; V395-Y417 VanDerWaalsContact CG1-CE2 3.45Å; L397-Y417 HydrophobicContact CD1-CD2 3.83Å; L397-Y417 HydrophobicContact CD1-CE2 4.39Å; R413-Y417 WeakPolarHBondContact O-CD2 3.33Å; F414-Y417 CarbonylContact O-C 3.58Å; F414-Y417 PolarHBondContact O-N 3.02Å; F414-Y417 VanDerWaalsContact O-N 3.15Å; L415-Y417 PolarHBondContact O-N 3.31Å; Y417-D419 VanDerWaalsContact C-N 3.32Å; Y417-D419 PolarHBondContact O-N 3.41Å; Y417-L420 WeakPolarHBondContact O-CB 3.15Å; Y417-L420 PolarHBondContact O-N 3.14Å; Y417-L421 WeakPolarHBondContact O-CG 3.34Å; Y417-L421 PolarHBondContact O-N 3.26Å
418K88.2Confident87.9Confident53 Ų5351.8 Ų51.823%0.2325%0.25CS..Hα-helixtrans-47.1-50.7-174.5179.3-176174.4-176.70113F414 L415 L420 L421 C422 E493 L494F414-K418 PolarHBondContact O-N 3.09Å; L415-K418 HydrophobicContact CD2-CD 4.43Å; L415-K418 VanDerWaalsContact O-CB 3.24Å; L415-K418 WeakPolarHBondContact O-CB 3.47Å; L415-K418 PolarHBondContact O-N 3.09Å; L415-K418 VanDerWaalsContact O-N 3.16Å; K418-L420 PolarHBondContact O-N 3.24Å; K418-L421 PolarHBondContact O-N 3.16Å; K418-L421 VanDerWaalsContact O-N 3.13Å; K418-C422 VanDerWaalsContact O-CB 3.29Å; K418-C422 WeakPolarHBondContact O-CB 3.37Å; K418-C422 PolarHBondContact O-N 3.35Å; K418-C422 PolarHBondContact O-SG 3.03Å; K418-C422 VanDerWaalsContact O-SG 3.34Å; K418-E493 VanDerWaalsContact CE-CD 3.42Å; K418-E493 WeakPolarHBondContact CE-OE2 3.4Å; K418-E493 IonicContact NZ-OE1 3.3Å; K418-E493 PolarHBondContact NZ-OE1 2.77Å; K418-E493 IonicContact NZ-OE2 2.98Å; K418-E493 PolarHBondContact NZ-OE2 2.97Å; K418-L494 HydrophobicContact CG-CD2 4.41Å
419D87.4Confident88.1Confident66 Ų6648.6 Ų48.635%0.35324%0.236SC..Hα-helixtrans-62.8-27.7-175.3-63.2-23.7000112.9A336 I340 Y417 I423A336-D419 HydrophobicContact CB-CB 3.6Å; I340-D419 HydrophobicContact CD1-CB 4Å; Y417-D419 VanDerWaalsContact C-N 3.32Å; Y417-D419 PolarHBondContact O-N 3.41Å; D419-I423 WeakPolarHBondContact O-CG1 3.45Å
420L90.2Very high88.3Confident4 Ų444.7 Ų44.72%0.02122%0.217CC..Hα-helixtrans-81.2-47.7172.2173.664.7000111.2I340 L341 F384 T388 Y417 K418 C422 I423 V426I340-L420 HydrophobicContact CB-CB 4.31Å; I340-L420 HydrophobicContact CB-CD2 4.46Å; I340-L420 HydrophobicContact CD1-CB 3.89Å; I340-L420 HydrophobicContact CG2-CB 4.15Å; I340-L420 HydrophobicContact CG2-CD2 3.77Å; L341-L420 HydrophobicContact CD1-CD1 3.86Å; L341-L420 HydrophobicContact CD2-CD1 4.32Å; L341-L420 HydrophobicContact CD2-CD2 3.73Å; L341-L420 HydrophobicContact CG-CD1 3.86Å; L341-L420 HydrophobicContact CG-CD2 3.89Å; F384-L420 HydrophobicContact CB-CD1 4.48Å; F384-L420 HydrophobicContact CD2-CD1 4.33Å; T388-L420 HydrophobicContact CG2-CD2 4.36Å; Y417-L420 WeakPolarHBondContact O-CB 3.15Å; Y417-L420 PolarHBondContact O-N 3.14Å; K418-L420 PolarHBondContact O-N 3.24Å; L420-C422 VanDerWaalsContact C-N 3.28Å; L420-C422 PolarHBondContact O-N 3.15Å; L420-I423 HydrophobicContact CD1-CD1 4.19Å; L420-I423 WeakPolarHBondContact O-CB 3.3Å; L420-I423 WeakPolarHBondContact O-CG1 3.36Å; L420-I423 PolarHBondContact O-N 3.06Å; L420-V426 HydrophobicContact CD1-CG2 4.42Å; L420-V426 HydrophobicContact CG-CG1 4.46Å; L420-V426 WeakPolarHBondContact O-CG1 3.46Å
421L89.9Confident88.6Confident5.5 Ų5.546.8 Ų46.83%0.02923%0.232CC..Hα-helixtrans-69.1-22.5-173.8-60.2-176.7000113T388 L397 F414 Y417 K418 K427 I430T388-L421 HydrophobicContact CG2-CD2 3.88Å; L397-L421 HydrophobicContact CD1-CD1 4.35Å; L397-L421 HydrophobicContact CD2-CD1 4.05Å; F414-L421 HydrophobicContact CD1-CD1 3.87Å; F414-L421 HydrophobicContact CE1-CD1 4.47Å; F414-L421 HydrophobicContact CG-CD1 4.42Å; Y417-L421 WeakPolarHBondContact O-CG 3.34Å; Y417-L421 PolarHBondContact O-N 3.26Å; K418-L421 PolarHBondContact O-N 3.16Å; K418-L421 VanDerWaalsContact O-N 3.13Å; L421-K427 WeakPolarHBondContact O-CA 3.43Å; L421-K427 VanDerWaalsContact O-CB 3.27Å; L421-K427 WeakPolarHBondContact O-CB 3.36Å; L421-K427 WeakPolarHBondContact O-CG 3.49Å; L421-I430 HydrophobicContact CB-CD1 4Å; L421-I430 HydrophobicContact CD1-CD1 4.12Å; L421-I430 HydrophobicContact CD2-CD1 3.6Å; L421-I430 VanDerWaalsContact CD2-CD1 3.48Å; L421-I430 HydrophobicContact CG-CD1 4.14Å
422C89.4Confident88.6Confident36 Ų3648.8 Ų48.824%0.24325%0.251CS..THydrogen-bonded Turntrans-85.7-3.6177.3-70.40000114K418 L420 E493K418-C422 VanDerWaalsContact O-CB 3.29Å; K418-C422 WeakPolarHBondContact O-CB 3.37Å; K418-C422 PolarHBondContact O-N 3.35Å; K418-C422 PolarHBondContact O-SG 3.03Å; K418-C422 VanDerWaalsContact O-SG 3.34Å; L420-C422 VanDerWaalsContact C-N 3.28Å; L420-C422 PolarHBondContact O-N 3.15Å; C422-E493 PolarHBondContact SG-O 3.15Å; C422-E493 VanDerWaalsContact SG-O 3.41Å
423I91.3Very high88.7Confident1 Ų146.2 Ų46.21%0.00524%0.239CC..SBendtrans-66.5131.8174.6-64175000109L334 E381 F384 D419 L420 L425 V426 K427L334-I423 HydrophobicContact CD2-CD1 4.43Å; L334-I423 HydrophobicContact CD2-CG2 4.4Å; E381-I423 HydrophobicContact CB-CG2 4.16Å; E381-I423 HydrophobicContact CG-CG2 3.57Å; F384-I423 HydrophobicContact CD2-CD1 3.84Å; F384-I423 HydrophobicContact CE2-CD1 4.34Å; D419-I423 WeakPolarHBondContact O-CG1 3.45Å; L420-I423 HydrophobicContact CD1-CD1 4.19Å; L420-I423 WeakPolarHBondContact O-CB 3.3Å; L420-I423 WeakPolarHBondContact O-CG1 3.36Å; L420-I423 PolarHBondContact O-N 3.06Å; I423-L425 PolarHBondContact O-N 3.39Å; I423-V426 HydrophobicContact CB-CB 4.03Å; I423-V426 HydrophobicContact CB-CG2 3.75Å; I423-V426 HydrophobicContact CD1-CG2 4.47Å; I423-V426 HydrophobicContact CG2-CB 4.49Å; I423-V426 HydrophobicContact CG2-CG2 3.86Å; I423-V426 CarbonylContact O-C 3.36Å; I423-V426 WeakPolarHBondContact O-CA 3.47Å; I423-V426 WeakPolarHBondContact O-CB 3.36Å; I423-V426 PolarHBondContact O-N 2.91Å; I423-K427 VanDerWaalsContact O-CB 3.27Å; I423-K427 WeakPolarHBondContact O-CB 3.37Å; I423-K427 PolarHBondContact O-N 2.95Å
424P88.9Confident89Confident80.5 Ų80.542.9 Ų42.952%0.52323%0.226SC..Hα-helixtrans-52.2-51.9-166.4-3035.8000115.8V426 K427 H428P424-V426 VanDerWaalsContact C-N 3.31Å; P424-V426 PolarHBondContact O-N 2.98Å; P424-K427 WeakPolarHBondContact O-CB 3.41Å; P424-K427 PolarHBondContact O-N 3.33Å; P424-H428 PolarHBondContact O-N 3.24Å; P424-H428 VanDerWaalsContact O-N 3.1Å
425L90.1Very high89.1Confident58 Ų5847.8 Ų47.830%0.30425%0.249SC..Hα-helixtrans-74-25.7179-58.9-178.6000112.9E378 E381 R382 I423 H428 E429E378-L425 HydrophobicContact CB-CD1 4.47Å; E381-L425 HydrophobicContact CB-CB 3.95Å; E381-L425 HydrophobicContact CB-CD1 3.83Å; E381-L425 HydrophobicContact CB-CG 4.05Å; R382-L425 HydrophobicContact CG-CD1 3.62Å; I423-L425 PolarHBondContact O-N 3.39Å; L425-H428 PolarHBondContact O-N 3.39Å; L425-E429 WeakPolarHBondContact O-CB 3.48Å; L425-E429 PolarHBondContact O-N 3.32Å; L425-E429 VanDerWaalsContact O-N 3.16Å
426V91.8Very high89.2Confident0 Ų047.7 Ų47.70%025%0.251CS..Hα-helixtrans-68.8-47.3172.5-176.40000109.9F384 T388 L420 I423 P424 H428 E429 I430F384-V426 HydrophobicContact CB-CG2 3.75Å; T388-V426 HydrophobicContact CG2-CG1 3.85Å; L420-V426 HydrophobicContact CD1-CG2 4.42Å; L420-V426 HydrophobicContact CG-CG1 4.46Å; L420-V426 WeakPolarHBondContact O-CG1 3.46Å; I423-V426 HydrophobicContact CB-CB 4.03Å; I423-V426 HydrophobicContact CB-CG2 3.75Å; I423-V426 HydrophobicContact CD1-CG2 4.47Å; I423-V426 HydrophobicContact CG2-CB 4.49Å; I423-V426 HydrophobicContact CG2-CG2 3.86Å; I423-V426 CarbonylContact O-C 3.36Å; I423-V426 WeakPolarHBondContact O-CA 3.47Å; I423-V426 WeakPolarHBondContact O-CB 3.36Å; I423-V426 PolarHBondContact O-N 2.91Å; P424-V426 VanDerWaalsContact C-N 3.31Å; P424-V426 PolarHBondContact O-N 2.98Å; V426-H428 PolarHBondContact O-N 3.24Å; V426-E429 WeakPolarHBondContact O-CB 3.34Å; V426-E429 PolarHBondContact O-N 3.29Å; V426-I430 WeakPolarHBondContact O-CG1 3.39Å; V426-I430 PolarHBondContact O-N 3.13Å; V426-I430 VanDerWaalsContact O-N 3.12Å
427K89.8Confident89.3Confident26 Ų2640.9 Ų40.911%0.11322%0.221CC..Hα-helixtrans-52.4-40.8175.3-128.2-177.1178.4-1680111.6L421 I423 P424 R434 E493 D496 D497L421-K427 WeakPolarHBondContact O-CA 3.43Å; L421-K427 VanDerWaalsContact O-CB 3.27Å; L421-K427 WeakPolarHBondContact O-CB 3.36Å; L421-K427 WeakPolarHBondContact O-CG 3.49Å; I423-K427 VanDerWaalsContact O-CB 3.27Å; I423-K427 WeakPolarHBondContact O-CB 3.37Å; I423-K427 PolarHBondContact O-N 2.95Å; P424-K427 WeakPolarHBondContact O-CB 3.41Å; P424-K427 PolarHBondContact O-N 3.33Å; K427-R434 VanDerWaalsContact O-CD 3.29Å; K427-R434 WeakPolarHBondContact O-CD 3.34Å; K427-R434 PolarHBondContact O-NH1 3.14Å; K427-E493 WeakPolarHBondContact CE-O 3.34Å; K427-E493 PolarHBondContact NZ-O 3.04Å; K427-D496 IonicContact NZ-OD1 3.3Å; K427-D496 PolarHBondContact NZ-OD1 3.13Å; K427-D497 WeakPolarHBondContact CE-OD1 3.35Å; K427-D497 IonicContact NZ-OD1 3.17Å; K427-D497 PolarHBondContact NZ-OD1 3.32Å
428H88.5Confident89.5Confident135.5 Ų135.540.3 Ų40.363%0.62722%0.22SC*.Hα-helixtrans-69.4-40.7175.6-174-5.7000112.5P424 L425 V426 I430 S431P424-H428 PolarHBondContact O-N 3.24Å; P424-H428 VanDerWaalsContact O-N 3.1Å; L425-H428 PolarHBondContact O-N 3.39Å; V426-H428 PolarHBondContact O-N 3.24Å; H428-I430 VanDerWaalsContact C-N 3.26Å; H428-I430 PolarHBondContact O-N 3.15Å; H428-S431 WeakPolarHBondContact O-CB 3.35Å; H428-S431 PolarHBondContact O-N 2.82Å; H428-S431 PolarHBondContact O-OG 2.95Å
429E87.6Confident89.6Confident53 Ų5344 Ų4425%0.24824%0.236CC..Hα-helixtrans-66.5-26.7-177.4-16269.4170.500113.3R389 L425 V426R389-E429 HydrophobicContact CB-CG 4.44Å; R389-E429 VanDerWaalsContact CZ-CG 3.42Å; R389-E429 IonicContact CZ-OE1 3.51Å; R389-E429 IonicContact CZ-OE2 2.68Å; R389-E429 IonicContact NE-OE1 2.75Å; R389-E429 IonicContact NH1-OE1 2.65Å; R389-E429 PolarHBondContact NH1-OE1 3.4Å; R389-E429 IonicContact NH1-OE2 3.69Å; R389-E429 PolarHBondContact NH1-OE2 3.49Å; R389-E429 VanDerWaalsContact NH2-CG 3.26Å; R389-E429 PolarHBondContact NH2-O 3.47Å; R389-E429 IonicContact NH2-OE1 2.89Å; R389-E429 PolarHBondContact NH2-OE1 2.88Å; R389-E429 IonicContact NH2-OE2 2.89Å; R389-E429 PolarHBondContact NH2-OE2 2.94Å; L425-E429 WeakPolarHBondContact O-CB 3.48Å; L425-E429 PolarHBondContact O-N 3.32Å; L425-E429 VanDerWaalsContact O-N 3.16Å; V426-E429 WeakPolarHBondContact O-CB 3.34Å; V426-E429 PolarHBondContact O-N 3.29Å
430I87.9Confident89.6Confident1 Ų142.9 Ų42.91%0.00523%0.227CC..THydrogen-bonded Turntrans-107.126.1-178.168.4156.1000113.2T388 L392 L421 V426 H428 A432 E433 R434T388-I430 HydrophobicContact CG2-CG2 4.03Å; L392-I430 HydrophobicContact CD1-CB 4.1Å; L392-I430 HydrophobicContact CD1-CG2 3.37Å; L392-I430 HydrophobicContact CG-CG2 4.47Å; L421-I430 HydrophobicContact CB-CD1 4Å; L421-I430 HydrophobicContact CD1-CD1 4.12Å; L421-I430 HydrophobicContact CD2-CD1 3.6Å; L421-I430 VanDerWaalsContact CD2-CD1 3.48Å; L421-I430 HydrophobicContact CG-CD1 4.14Å; V426-I430 WeakPolarHBondContact O-CG1 3.39Å; V426-I430 PolarHBondContact O-N 3.13Å; V426-I430 VanDerWaalsContact O-N 3.12Å; H428-I430 VanDerWaalsContact C-N 3.26Å; H428-I430 PolarHBondContact O-N 3.15Å; I430-A432 VanDerWaalsContact C-N 3.33Å; I430-A432 PolarHBondContact O-N 3.15Å; I430-E433 VanDerWaalsContact C-OE2 3.26Å; I430-E433 VanDerWaalsContact CA-OE2 3.32Å; I430-E433 WeakPolarHBondContact CA-OE2 3.4Å; I430-E433 PolarHBondContact O-N 2.96Å; I430-E433 VanDerWaalsContact O-OE2 3.13Å; I430-R434 HydrophobicContact CD1-CG 3.84Å; I430-R434 HydrophobicContact CG1-CG 3.98Å; I430-R434 WeakPolarHBondContact O-CD 3.4Å; I430-R434 WeakPolarHBondContact O-CG 3.27Å; I430-R434 PolarHBondContact O-N 3.25Å; I430-R434 VanDerWaalsContact O-N 3.13Å
431S88.8Confident89.7Confident45 Ų4542.8 Ų42.832%0.31523%0.227SC..Hα-helixtrans-56.4-42.1-174.555.30000113.3H428 E433 R434 E435H428-S431 WeakPolarHBondContact O-CB 3.35Å; H428-S431 PolarHBondContact O-N 2.82Å; H428-S431 PolarHBondContact O-OG 2.95Å; S431-E433 PolarHBondContact O-N 3.04Å; S431-R434 PolarHBondContact O-N 2.96Å; S431-E435 WeakPolarHBondContact O-CB 3.09Å; S431-E435 WeakPolarHBondContact O-CG 3.45Å; S431-E435 PolarHBondContact O-N 3.26Å
432A87.5Confident89.8Confident56 Ų5643.2 Ų43.246%0.46323%0.229SC..Hα-helixtrans-63-40.6-179.700000112.7I430 T436I430-A432 VanDerWaalsContact C-N 3.33Å; I430-A432 PolarHBondContact O-N 3.15Å; A432-T436 PolarHBondContact O-N 3.21Å; A432-T436 PolarHBondContact O-OG1 3.2Å
433E88.2Confident89.8Confident50 Ų5044.7 Ų44.723%0.23423%0.233CC..Hα-helixtrans-68.5-37.9178-65.680178.200111.5L392 L398 F414 I430 S431 T436 L437L392-E433 HydrophobicContact CD1-CG 4.28Å; L398-E433 HydrophobicContact CD1-CB 3.95Å; L398-E433 HydrophobicContact CD1-CG 3.91Å; F414-E433 HydrophobicContact CZ-CB 4.32Å; I430-E433 VanDerWaalsContact C-OE2 3.26Å; I430-E433 VanDerWaalsContact CA-OE2 3.32Å; I430-E433 WeakPolarHBondContact CA-OE2 3.4Å; I430-E433 PolarHBondContact O-N 2.96Å; I430-E433 VanDerWaalsContact O-OE2 3.13Å; S431-E433 PolarHBondContact O-N 3.04Å; E433-T436 WeakPolarHBondContact O-CB 3.36Å; E433-T436 PolarHBondContact O-N 3Å; E433-L437 PolarHBondContact O-N 3.08Å
434R91.2Very high89.6Confident5 Ų548 Ų482%0.01925%0.248CC..Hα-helixtrans-67.8-41.6176.7-65.6166.862.5-141.3-8.6111.7F414 K427 I430 S431 T436 L437 L438 L494 V495 D497 L498F414-R434 HydrophobicContact CE1-CG 4.35Å; K427-R434 VanDerWaalsContact O-CD 3.29Å; K427-R434 WeakPolarHBondContact O-CD 3.34Å; K427-R434 PolarHBondContact O-NH1 3.14Å; I430-R434 HydrophobicContact CD1-CG 3.84Å; I430-R434 HydrophobicContact CG1-CG 3.98Å; I430-R434 WeakPolarHBondContact O-CD 3.4Å; I430-R434 WeakPolarHBondContact O-CG 3.27Å; I430-R434 PolarHBondContact O-N 3.25Å; I430-R434 VanDerWaalsContact O-N 3.13Å; S431-R434 PolarHBondContact O-N 2.96Å; R434-T436 VanDerWaalsContact C-N 3.29Å; R434-T436 PolarHBondContact O-N 3.34Å; R434-L437 PolarHBondContact O-N 3.28Å; R434-L438 WeakPolarHBondContact O-CB 3.33Å; R434-L438 PolarHBondContact O-N 3.07Å; R434-L494 VanDerWaalsContact CZ-O 3.27Å; R434-L494 PolarHBondContact NE-O 2.98Å; R434-L494 PolarHBondContact NH2-O 3.24Å; R434-V495 HydrophobicContact CB-CG1 4.37Å; R434-D497 IonicContact CZ-OD1 3.29Å; R434-D497 IonicContact CZ-OD2 3Å; R434-D497 IonicContact NH1-OD1 3.31Å; R434-D497 IonicContact NH1-OD2 3.08Å; R434-D497 PolarHBondContact NH1-OD2 3.16Å; R434-D497 IonicContact NH2-OD1 3.41Å; R434-D497 PolarHBondContact NH2-OD1 3.13Å; R434-D497 IonicContact NH2-OD2 3.03Å; R434-D497 PolarHBondContact NH2-OD2 3.31Å; R434-L498 HydrophobicContact CB-CD1 3.79Å
435E91.3Very high89.7Confident104.5 Ų104.544.3 Ų44.349%0.48822%0.224SC..Hα-helixtrans-61.2-39.7172.3-75.5179.3-179.900111.5S431 L438 F439 L498S431-E435 WeakPolarHBondContact O-CB 3.09Å; S431-E435 WeakPolarHBondContact O-CG 3.45Å; S431-E435 PolarHBondContact O-N 3.26Å; E435-L438 PolarHBondContact O-N 3.24Å; E435-F439 WeakPolarHBondContact O-CB 3.48Å; E435-F439 PolarHBondContact O-N 2.86Å; E435-L498 HydrophobicContact CG-CD1 3.83Å; E435-L498 HydrophobicContact CG-CD2 4.19Å
436T88.9Confident89.7Confident55 Ų5545.4 Ų45.434%0.33723%0.226SC..Hα-helixtrans-65.2-41.5175.5-55.70000112L398 A432 E433 R434 F439 R440L398-T436 HydrophobicContact CD1-CG2 3.81Å; L398-T436 HydrophobicContact CD2-CG2 4.13Å; A432-T436 PolarHBondContact O-N 3.21Å; A432-T436 PolarHBondContact O-OG1 3.2Å; E433-T436 WeakPolarHBondContact O-CB 3.36Å; E433-T436 PolarHBondContact O-N 3Å; R434-T436 VanDerWaalsContact C-N 3.29Å; R434-T436 PolarHBondContact O-N 3.34Å; T436-F439 PolarHBondContact O-N 3.07Å; T436-R440 WeakPolarHBondContact O-CG 3.46Å; T436-R440 PolarHBondContact O-N 3.04Å; T436-R440 VanDerWaalsContact O-N 3.1Å
437L89.5Confident89.5Confident0 Ų049.6 Ų49.60%025%0.248CC..Hα-helixtrans-60.8-49173.9176.466.9000110.8L407 T410 L411 F414 E433 R434 F439 R440 V441 L494 V495L407-L437 HydrophobicContact CD1-CD1 4.36Å; T410-L437 HydrophobicContact CG2-CD1 4.12Å; L411-L437 HydrophobicContact CD1-CD1 4.47Å; L411-L437 HydrophobicContact CD1-CD2 4.48Å; L411-L437 HydrophobicContact CD2-CD1 3.85Å; L411-L437 HydrophobicContact CD2-CD2 4.32Å; L411-L437 HydrophobicContact CD2-CG 4.48Å; L411-L437 HydrophobicContact CG-CD1 4.29Å; F414-L437 HydrophobicContact CB-CD2 4.33Å; F414-L437 HydrophobicContact CD1-CD2 3.69Å; F414-L437 HydrophobicContact CD2-CD1 4.26Å; F414-L437 HydrophobicContact CD2-CD2 4.05Å; F414-L437 HydrophobicContact CE1-CB 4.25Å; F414-L437 HydrophobicContact CE1-CD2 3.87Å; F414-L437 HydrophobicContact CE2-CB 4.14Å; F414-L437 HydrophobicContact CE2-CD1 4.27Å; F414-L437 HydrophobicContact CE2-CD2 4.22Å; F414-L437 HydrophobicContact CE2-CG 4.44Å; F414-L437 HydrophobicContact CG-CD2 3.77Å; F414-L437 HydrophobicContact CZ-CB 3.85Å; F414-L437 HydrophobicContact CZ-CD2 4.12Å; F414-L437 HydrophobicContact CZ-CG 4.46Å; E433-L437 PolarHBondContact O-N 3.08Å; R434-L437 PolarHBondContact O-N 3.28Å; L437-F439 VanDerWaalsContact C-N 3.29Å; L437-F439 PolarHBondContact O-N 2.96Å; L437-R440 PolarHBondContact O-N 3.18Å; L437-R440 VanDerWaalsContact O-N 3.15Å; L437-V441 HydrophobicContact CD1-CG2 4.22Å; L437-V441 HydrophobicContact CG-CG2 4.35Å; L437-V441 VanDerWaalsContact O-CG2 3.31Å; L437-V441 WeakPolarHBondContact O-CG2 3.33Å; L437-V441 PolarHBondContact O-N 3.11Å; L437-L494 HydrophobicContact CD2-CD1 4.16Å; L437-V495 HydrophobicContact CD2-CG1 4.48Å
438L92.2Very high89.4Confident11.5 Ų11.550.5 Ų50.56%0.0625%0.254CS..Hα-helixtrans-57.7-42.7178.7175.761.1000111.6R434 E435 V441 T442 V495 L498 L504R434-L438 WeakPolarHBondContact O-CB 3.33Å; R434-L438 PolarHBondContact O-N 3.07Å; E435-L438 PolarHBondContact O-N 3.24Å; L438-V441 PolarHBondContact O-N 3.14Å; L438-T442 WeakPolarHBondContact O-CB 3.44Å; L438-T442 PolarHBondContact O-N 3.01Å; L438-T442 PolarHBondContact O-OG1 3.14Å; L438-V495 HydrophobicContact CB-CG1 4.36Å; L438-V495 HydrophobicContact CD1-CG2 4.02Å; L438-L498 HydrophobicContact CD2-CB 4.05Å; L438-L498 HydrophobicContact CD2-CD1 4.19Å; L438-L504 HydrophobicContact CD1-CB 4.06Å; L438-L504 HydrophobicContact CD1-CD2 3.73Å; L438-L504 HydrophobicContact CD1-CG 4.47Å
439F90.1Very high89.4Confident131.5 Ų131.545.9 Ų45.958%0.57723%0.233SC*.Hα-helixtrans-60.3-48.4174.4179.5-99.3000111.9E435 T436 L437 V441 T442 E443E435-F439 WeakPolarHBondContact O-CB 3.48Å; E435-F439 PolarHBondContact O-N 2.86Å; T436-F439 PolarHBondContact O-N 3.07Å; L437-F439 VanDerWaalsContact C-N 3.29Å; L437-F439 PolarHBondContact O-N 2.96Å; F439-V441 PolarHBondContact O-N 3.13Å; F439-T442 WeakPolarHBondContact O-CB 3.43Å; F439-T442 PolarHBondContact O-N 3.33Å; F439-E443 HydrophobicContact CD1-CG 4.36Å; F439-E443 HydrophobicContact CE1-CG 3.86Å; F439-E443 HydrophobicContact CE2-CG 4.19Å; F439-E443 HydrophobicContact CZ-CG 3.76Å; F439-E443 PolarHBondContact O-N 3.47Å
440R88.6Confident89.4Confident42.5 Ų42.547.6 Ų47.616%0.1624%0.241CC..Hα-helixtrans-62.6-40.5178.5-70.9-174-175.7-163.82.1112.9S405 L407 T410 T436 L437 T442 E443 Q444S405-R440 PolarHBondContact OG-NH1 3.01Å; L407-R440 HydrophobicContact CD1-CB 3.95Å; T410-R440 PolarHBondContact OG1-NH1 2.98Å; T436-R440 WeakPolarHBondContact O-CG 3.46Å; T436-R440 PolarHBondContact O-N 3.04Å; T436-R440 VanDerWaalsContact O-N 3.1Å; L437-R440 PolarHBondContact O-N 3.18Å; L437-R440 VanDerWaalsContact O-N 3.15Å; R440-T442 VanDerWaalsContact C-N 3.31Å; R440-E443 PolarHBondContact O-N 3.05Å; R440-Q444 WeakPolarHBondContact O-CB 3.43Å; R440-Q444 PolarHBondContact O-N 3.01Å
441V91.1Very high89.3Confident1.5 Ų1.549.7 Ų49.71%0.00926%0.255CS..Hα-helixtrans-62.3-42.9175.6171.80000110.3L407 L411 L437 L438 F439 Q444 L445 L487 V491 L504L407-V441 HydrophobicContact CD1-CG2 3.88Å; L407-V441 HydrophobicContact CD2-CG2 4.29Å; L411-V441 HydrophobicContact CD2-CG2 4.31Å; L437-V441 HydrophobicContact CD1-CG2 4.22Å; L437-V441 HydrophobicContact CG-CG2 4.35Å; L437-V441 VanDerWaalsContact O-CG2 3.31Å; L437-V441 WeakPolarHBondContact O-CG2 3.33Å; L437-V441 PolarHBondContact O-N 3.11Å; L438-V441 PolarHBondContact O-N 3.14Å; F439-V441 PolarHBondContact O-N 3.13Å; V441-Q444 PolarHBondContact O-N 2.77Å; V441-L445 WeakPolarHBondContact O-CB 3.46Å; V441-L445 PolarHBondContact O-N 2.93Å; V441-L487 HydrophobicContact CG1-CD1 4.34Å; V441-L487 HydrophobicContact CG1-CD2 4.07Å; V441-L487 HydrophobicContact CG1-CG 4.15Å; V441-V491 HydrophobicContact CG1-CG2 4.43Å; V441-V491 HydrophobicContact CG2-CG1 4.42Å; V441-V491 HydrophobicContact CG2-CG2 3.98Å; V441-L504 HydrophobicContact CB-CD2 4.49Å; V441-L504 HydrophobicContact CG1-CD1 4.07Å; V441-L504 HydrophobicContact CG1-CD2 3.68Å
442T92.2Very high89.1Confident13 Ų1348.4 Ų48.48%0.0824%0.244CC..Hα-helixtrans-65.8-41.4178.7-54.40000112L438 F439 R440 L445 K446 K507L438-T442 WeakPolarHBondContact O-CB 3.44Å; L438-T442 PolarHBondContact O-N 3.01Å; L438-T442 PolarHBondContact O-OG1 3.14Å; F439-T442 WeakPolarHBondContact O-CB 3.43Å; F439-T442 PolarHBondContact O-N 3.33Å; R440-T442 VanDerWaalsContact C-N 3.31Å; T442-L445 PolarHBondContact O-N 3.32Å; T442-K446 WeakPolarHBondContact O-CG 3.17Å; T442-K446 PolarHBondContact O-N 3.31Å; T442-K446 VanDerWaalsContact O-N 3.12Å; T442-K507 HydrophobicContact CG2-CD 4.15Å
443E89.7Confident89Confident68 Ų6852.7 Ų52.732%0.31825%0.248SC..Hα-helixtrans-66.2-41.5175.3-77.1-62.8114.200112.3F439 R440 L445 K446 L447F439-E443 HydrophobicContact CD1-CG 4.36Å; F439-E443 HydrophobicContact CE1-CG 3.86Å; F439-E443 HydrophobicContact CE2-CG 4.19Å; F439-E443 HydrophobicContact CZ-CG 3.76Å; F439-E443 PolarHBondContact O-N 3.47Å; R440-E443 PolarHBondContact O-N 3.05Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 3.16Å; E443-K446 WeakPolarHBondContact O-CB 3.29Å; E443-K446 PolarHBondContact O-N 3.12Å; E443-K446 WeakPolarHBondContact OE1-CD 3.34Å; E443-K446 IonicContact OE1-NZ 3.15Å; E443-K446 PolarHBondContact OE1-NZ 3.05Å; E443-L447 WeakPolarHBondContact O-CG 3.22Å; E443-L447 PolarHBondContact O-N 2.91Å
444Q88.1Confident88.6Confident69.5 Ų69.558.9 Ų58.933%0.32527%0.27SS..Hα-helixtrans-63.1-38.8175.6-174.264.337.500112.1L407 R440 V441 K446 L447 N448L407-Q444 HydrophobicContact CD2-CB 3.52Å; L407-Q444 HydrophobicContact CD2-CG 3.7Å; R440-Q444 WeakPolarHBondContact O-CB 3.43Å; R440-Q444 PolarHBondContact O-N 3.01Å; V441-Q444 PolarHBondContact O-N 2.77Å; Q444-K446 VanDerWaalsContact C-N 3.33Å; Q444-K446 PolarHBondContact O-N 3.22Å; Q444-L447 PolarHBondContact O-N 3.11Å; Q444-N448 PolarHBondContact NE2-OD1 3.04Å; Q444-N448 WeakPolarHBondContact O-CB 3.37Å; Q444-N448 VanDerWaalsContact O-CG 3.28Å; Q444-N448 PolarHBondContact O-N 3.3Å; Q444-N448 PolarHBondContact O-OD1 3.06Å
445L91.1Very high87.8Confident3 Ų364.3 Ų64.32%0.01629%0.293CS..Hα-helixtrans-60.5-43.8175.7-175.471.7000111.2V441 T442 E443 N448 Q449 I484 L504 K507 C508 F511V441-L445 WeakPolarHBondContact O-CB 3.46Å; V441-L445 PolarHBondContact O-N 2.93Å; T442-L445 PolarHBondContact O-N 3.32Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 3.16Å; L445-N448 PolarHBondContact O-N 3.34Å; L445-Q449 WeakPolarHBondContact O-CB 3.21Å; L445-Q449 PolarHBondContact O-N 3.18Å; L445-I484 HydrophobicContact CD1-CD1 4.43Å; L445-I484 HydrophobicContact CD1-CG1 4.11Å; L445-I484 HydrophobicContact CD1-CG2 4.03Å; L445-L504 HydrophobicContact CD2-CD1 3.86Å; L445-K507 HydrophobicContact CD2-CB 3.76Å; L445-C508 HydrophobicContact CD2-CB 4.48Å; L445-C508 VanDerWaalsContact CD2-SG 3.53Å; L445-F511 HydrophobicContact CD1-CD1 3.92Å
446K90Very high86.7Confident82 Ų8261.7 Ų61.736%0.35729%0.285SS..Hα-helixtrans-61.2-45.9175.1-68.8176.8-1711670111.8T442 E443 Q444 N448 Q449 E450T442-K446 WeakPolarHBondContact O-CG 3.17Å; T442-K446 PolarHBondContact O-N 3.31Å; T442-K446 VanDerWaalsContact O-N 3.12Å; E443-K446 WeakPolarHBondContact O-CB 3.29Å; E443-K446 PolarHBondContact O-N 3.12Å; E443-K446 WeakPolarHBondContact OE1-CD 3.34Å; E443-K446 IonicContact OE1-NZ 3.15Å; E443-K446 PolarHBondContact OE1-NZ 3.05Å; Q444-K446 VanDerWaalsContact C-N 3.33Å; Q444-K446 PolarHBondContact O-N 3.22Å; K446-N448 VanDerWaalsContact C-N 3.33Å; K446-N448 PolarHBondContact O-N 3.17Å; K446-Q449 WeakPolarHBondContact O-CB 3.26Å; K446-Q449 PolarHBondContact O-N 2.95Å; K446-E450 PolarHBondContact O-N 3.34Å
447L87.8Confident85.4Confident88 Ų8861.1 Ų61.146%0.46129%0.289SS..Hα-helixtrans-60.8-42177.3-71.9173000111.9E443 Q444 Q449 E450 C451E443-L447 WeakPolarHBondContact O-CG 3.22Å; E443-L447 PolarHBondContact O-N 2.91Å; Q444-L447 PolarHBondContact O-N 3.11Å; L447-Q449 VanDerWaalsContact C-N 3.32Å; L447-Q449 PolarHBondContact O-N 2.99Å; L447-E450 PolarHBondContact O-N 3.39Å; L447-C451 WeakPolarHBondContact O-CB 3.45Å; L447-C451 PolarHBondContact O-N 3.03Å; L447-C451 PolarHBondContact O-SG 3.29Å
448N86.8Confident84.1Confident46 Ų4666.3 Ų66.325%0.24633%0.325CS..Hα-helixtrans-62.8-41.8175.9-72.2-0.4000111.2Q444 L445 K446 C451 F452 F511Q444-N448 PolarHBondContact NE2-OD1 3.04Å; Q444-N448 WeakPolarHBondContact O-CB 3.37Å; Q444-N448 VanDerWaalsContact O-CG 3.28Å; Q444-N448 PolarHBondContact O-N 3.3Å; Q444-N448 PolarHBondContact O-OD1 3.06Å; L445-N448 PolarHBondContact O-N 3.34Å; K446-N448 VanDerWaalsContact C-N 3.33Å; K446-N448 PolarHBondContact O-N 3.17Å; N448-C451 PolarHBondContact O-N 3.39Å; N448-F452 WeakPolarHBondContact O-CB 3.47Å; N448-F452 PolarHBondContact O-N 3.17Å; N448-F511 HydrophobicContact CB-CE1 4.27Å
449Q89.5Confident82.5Confident38.5 Ų38.572 Ų7218%0.1835%0.346CS..Hα-helixtrans-63.9-42.3175.7-170.7173.225.800112.3L445 K446 L447 F452 R453 F511 E514L445-Q449 WeakPolarHBondContact O-CB 3.21Å; L445-Q449 PolarHBondContact O-N 3.18Å; K446-Q449 WeakPolarHBondContact O-CB 3.26Å; K446-Q449 PolarHBondContact O-N 2.95Å; L447-Q449 VanDerWaalsContact C-N 3.32Å; L447-Q449 PolarHBondContact O-N 2.99Å; Q449-F452 PolarHBondContact O-N 3.45Å; Q449-R453 WeakPolarHBondContact O-CG 3.44Å; Q449-R453 PolarHBondContact O-N 3.28Å; Q449-R453 VanDerWaalsContact O-N 3.11Å; Q449-F511 VanDerWaalsContact CA-CZ 3.48Å; Q449-F511 HydrophobicContact CB-CD1 4.09Å; Q449-F511 HydrophobicContact CB-CD2 4.15Å; Q449-F511 HydrophobicContact CB-CE1 3.98Å; Q449-F511 HydrophobicContact CB-CE2 4.04Å; Q449-F511 HydrophobicContact CB-CG 4.21Å; Q449-F511 HydrophobicContact CB-CZ 3.98Å; Q449-F511 HydrophobicContact CG-CD1 4.43Å; Q449-F511 HydrophobicContact CG-CD2 3.7Å; Q449-F511 HydrophobicContact CG-CE2 3.83Å; Q449-F511 HydrophobicContact CG-CG 4.08Å; Q449-F511 HydrophobicContact CG-CZ 4.3Å; Q449-E514 PolarHBondContact NE2-OE2 2.92Å
450E87.5Confident81.1Confident88.5 Ų88.567.5 Ų67.541%0.41433%0.334SS..Hα-helixtrans-65.4-42.8174.7-73.3-172.8-171.200112.8K446 L447 F452 R453 R454K446-E450 PolarHBondContact O-N 3.34Å; L447-E450 PolarHBondContact O-N 3.39Å; E450-F452 VanDerWaalsContact C-N 3.31Å; E450-F452 PolarHBondContact O-N 3.47Å; E450-R453 PolarHBondContact O-N 3.19Å; E450-R454 WeakPolarHBondContact O-CB 3.35Å; E450-R454 WeakPolarHBondContact O-CG 3.34Å; E450-R454 PolarHBondContact O-N 3.11Å; E450-R454 IonicContact OE2-CZ 3.88Å; E450-R454 IonicContact OE2-NH1 3.76Å; E450-R454 PolarHBondContact OE2-NH1 2.94Å; E450-R454 IonicContact OE2-NH2 3.22Å; E450-R454 PolarHBondContact OE2-NH2 3.47Å
451C84.8Confident79.9Confident45.5 Ų45.571.5 Ų71.531%0.30736%0.363SS..Hα-helixtrans-62-42.2177.2-124.90000111.4L447 N448 R454 K455 T456L447-C451 WeakPolarHBondContact O-CB 3.45Å; L447-C451 PolarHBondContact O-N 3.03Å; L447-C451 PolarHBondContact O-SG 3.29Å; N448-C451 PolarHBondContact O-N 3.39Å; C451-R454 PolarHBondContact O-N 2.93Å; C451-K455 WeakPolarHBondContact O-CA 3.47Å; C451-K455 WeakPolarHBondContact O-CB 3.33Å; C451-K455 WeakPolarHBondContact O-CG 3.4Å; C451-K455 PolarHBondContact O-N 2.99Å; C451-K455 WeakPolarHBondContact SG-CE 3.12Å; C451-K455 PolarHBondContact SG-NZ 2.99Å; C451-T456 PolarHBondContact O-N 2.95Å; C451-T456 VanDerWaalsContact O-N 3.14Å
452F85.7Confident78.7Confident17.5 Ų17.574 Ų748%0.07737%0.373CS..Hα-helixtrans-57.6-49.9172.8171.5-103.6000111.1N448 Q449 E450 R454 K455 T456 W459 T477 F511 E514 L515 Y518N448-F452 WeakPolarHBondContact O-CB 3.47Å; N448-F452 PolarHBondContact O-N 3.17Å; Q449-F452 PolarHBondContact O-N 3.45Å; E450-F452 VanDerWaalsContact C-N 3.31Å; E450-F452 PolarHBondContact O-N 3.47Å; F452-R454 VanDerWaalsContact C-N 3.31Å; F452-R454 PolarHBondContact O-N 2.83Å; F452-K455 PolarHBondContact O-N 3.16Å; F452-T456 HydrophobicContact CD2-CG2 3.89Å; F452-T456 HydrophobicContact CE1-CG2 4.23Å; F452-T456 HydrophobicContact CE2-CG2 3.46Å; F452-T456 VanDerWaalsContact CE2-CG2 3.46Å; F452-T456 HydrophobicContact CG-CG2 4.44Å; F452-T456 HydrophobicContact CZ-CG2 3.64Å; F452-T456 WeakPolarHBondContact O-CG2 3.31Å; F452-T456 PolarHBondContact O-N 3.26Å; F452-T456 VanDerWaalsContact O-N 3.13Å; F452-T456 PolarHBondContact O-OG1 2.93Å; F452-W459 HydrophobicContact CD2-CD2 4.49Å; F452-W459 AromaticContact CD2-CE2 3.67Å; F452-W459 AromaticContact CD2-CZ2 3.72Å; F452-W459 HydrophobicContact CD2-CZ2 3.72Å; F452-W459 AromaticContact CD2-NE1 3.63Å; F452-W459 AromaticContact CE2-CZ2 3.84Å; F452-W459 HydrophobicContact CE2-CZ2 3.84Å; F452-T477 HydrophobicContact CE2-CG2 4.07Å; F452-T477 HydrophobicContact CZ-CG2 4.16Å; F452-F511 HydrophobicContact CB-CE2 4.18Å; F452-F511 HydrophobicContact CB-CZ 3.97Å; F452-F511 AromaticContact CD1-CE2 3.85Å; F452-F511 HydrophobicContact CD1-CE2 3.85Å; F452-F511 HydrophobicContact CD1-CZ 4.47Å; F452-F511 HydrophobicContact CE1-CE2 4.42Å; F452-F511 HydrophobicContact CG-CE2 4.1Å; F452-F511 HydrophobicContact CG-CZ 4.28Å; F452-E514 HydrophobicContact CE1-CG 4.03Å; F452-L515 HydrophobicContact CD1-CD2 4.08Å; F452-L515 HydrophobicContact CD2-CD2 3.64Å; F452-L515 HydrophobicContact CE1-CD2 3.95Å; F452-L515 HydrophobicContact CE2-CD2 3.49Å; F452-L515 HydrophobicContact CG-CD2 3.94Å; F452-L515 HydrophobicContact CZ-CD2 3.66Å; F452-Y518 AromaticContact CE2-CD1 3.76Å; F452-Y518 HydrophobicContact CE2-CD1 4.1Å; F452-Y518 HydrophobicContact CE2-CE1 4.12Å; F452-Y518 HydrophobicContact CE2-CG 4.01Å; F452-Y518 AromaticContact CZ-CD1 3.85Å; F452-Y518 HydrophobicContact CZ-CD1 3.85Å; F452-Y518 HydrophobicContact CZ-CD2 4.16Å; F452-Y518 HydrophobicContact CZ-CE1 4.32Å; F452-Y518 AromaticContact CZ-CG 3.78Å; F452-Y518 HydrophobicContact CZ-CG 3.78Å
453R84.5Confident77.3Confident146 Ų14678.1 Ų78.155%0.55140%0.4SS*.Hα-helixtrans-63.4-37.8179.6-72.1176.6179.4172.64.7113.6Q449 E450 K455 E514Q449-R453 WeakPolarHBondContact O-CG 3.44Å; Q449-R453 PolarHBondContact O-N 3.28Å; Q449-R453 VanDerWaalsContact O-N 3.11Å; E450-R453 PolarHBondContact O-N 3.19Å; R453-K455 VanDerWaalsContact C-N 3.3Å; R453-E514 IonicContact CZ-OE1 3.03Å; R453-E514 IonicContact CZ-OE2 3.43Å; R453-E514 IonicContact NE-OE1 3.34Å; R453-E514 PolarHBondContact NE-OE1 3.14Å; R453-E514 IonicContact NE-OE2 3.18Å; R453-E514 PolarHBondContact NE-OE2 2.88Å; R453-E514 IonicContact NH2-OE1 3.45Å; R453-E514 PolarHBondContact NH2-OE1 3.1Å; R453-E514 IonicContact NH2-OE2 2.82Å; R453-E514 PolarHBondContact NH2-OE2 3.08Å
454R80.5Confident76Confident180.5 Ų180.585.4 Ų85.468%0.68143%0.431SS*.Hα-helixtrans-75.5-26.4176.7-70.8-175.8-174.2137.58.5113E450 C451 F452 T456E450-R454 WeakPolarHBondContact O-CB 3.35Å; E450-R454 WeakPolarHBondContact O-CG 3.34Å; E450-R454 PolarHBondContact O-N 3.11Å; E450-R454 IonicContact OE2-CZ 3.88Å; E450-R454 IonicContact OE2-NH1 3.76Å; E450-R454 PolarHBondContact OE2-NH1 2.94Å; E450-R454 IonicContact OE2-NH2 3.22Å; E450-R454 PolarHBondContact OE2-NH2 3.47Å; C451-R454 PolarHBondContact O-N 2.93Å; F452-R454 VanDerWaalsContact C-N 3.31Å; F452-R454 PolarHBondContact O-N 2.83Å; R454-T456 VanDerWaalsContact C-N 3.34Å; R454-T456 HydrophobicContact CB-CG2 4.19Å
455K73.6Confident74.9Confident117 Ų11785.2 Ų85.251%0.50943%0.434SS..THydrogen-bonded Turntrans-12.514.4-173.1-65.5-178.9179.2170.60113.5C451 F452 R453 W459 A460C451-K455 WeakPolarHBondContact O-CA 3.47Å; C451-K455 WeakPolarHBondContact O-CB 3.33Å; C451-K455 WeakPolarHBondContact O-CG 3.4Å; C451-K455 PolarHBondContact O-N 2.99Å; C451-K455 WeakPolarHBondContact SG-CE 3.12Å; C451-K455 PolarHBondContact SG-NZ 2.99Å; F452-K455 PolarHBondContact O-N 3.16Å; R453-K455 VanDerWaalsContact C-N 3.3Å; K455-W459 HydrophobicContact CB-CE3 4.24Å; K455-W459 HydrophobicContact CB-CZ3 3.62Å; K455-W459 HydrophobicContact CD-CH2 4.47Å; K455-W459 HydrophobicContact CD-CZ3 4.26Å; K455-W459 HydrophobicContact CG-CH2 4.02Å; K455-W459 HydrophobicContact CG-CZ3 3.58Å; K455-A460 WeakPolarHBondContact O-CB 3.44Å
456T68.4Low74Confident51.5 Ų51.586.8 Ų86.832%0.31645%0.452SS..  trans-107.184.8-179.651.60000113.3C451 F452 R454 Y518C451-T456 PolarHBondContact O-N 2.95Å; C451-T456 VanDerWaalsContact O-N 3.14Å; F452-T456 HydrophobicContact CD2-CG2 3.89Å; F452-T456 HydrophobicContact CE1-CG2 4.23Å; F452-T456 HydrophobicContact CE2-CG2 3.46Å; F452-T456 VanDerWaalsContact CE2-CG2 3.46Å; F452-T456 HydrophobicContact CG-CG2 4.44Å; F452-T456 HydrophobicContact CZ-CG2 3.64Å; F452-T456 WeakPolarHBondContact O-CG2 3.31Å; F452-T456 PolarHBondContact O-N 3.26Å; F452-T456 VanDerWaalsContact O-N 3.13Å; F452-T456 PolarHBondContact O-OG1 2.93Å; R454-T456 VanDerWaalsContact C-N 3.34Å; R454-T456 HydrophobicContact CB-CG2 4.19Å; T456-Y518 WeakPolarHBondContact CB-OH 3.48Å; T456-Y518 HydrophobicContact CG2-CE1 3.87Å; T456-Y518 HydrophobicContact CG2-CE2 4.1Å
457G62.8Low73.5Confident41.5 Ų41.584.6 Ų84.643%0.42844%0.444SS..G310 helixtrans2-173.8175.900000113.8W459 A460G457-W459 PolarHBondContact O-N 3.45Å; G457-W459 VanDerWaalsContact O-N 3.1Å; G457-A460 PolarHBondContact O-N 3.33Å
458S61Low73.1Confident108.5 Ų108.580.8 Ų80.876%0.75942%0.424SS*.G310 helixtrans-58.1-11.8-178.5-173.30000114.7A460S458-A460 VanDerWaalsContact C-N 3.28Å; S458-A460 PolarHBondContact O-N 2.91Å
459W58.6Low72.8Confident131 Ų13183.5 Ų83.550%0.49644%0.439SS..G310 helixtrans-86.3-13-176.9-117.972000112.2F452 K455 G457 V461 F462 L473 T477 Y518F452-W459 HydrophobicContact CD2-CD2 4.49Å; F452-W459 AromaticContact CD2-CE2 3.67Å; F452-W459 AromaticContact CD2-CZ2 3.72Å; F452-W459 HydrophobicContact CD2-CZ2 3.72Å; F452-W459 AromaticContact CD2-NE1 3.63Å; F452-W459 AromaticContact CE2-CZ2 3.84Å; F452-W459 HydrophobicContact CE2-CZ2 3.84Å; K455-W459 HydrophobicContact CB-CE3 4.24Å; K455-W459 HydrophobicContact CB-CZ3 3.62Å; K455-W459 HydrophobicContact CD-CH2 4.47Å; K455-W459 HydrophobicContact CD-CZ3 4.26Å; K455-W459 HydrophobicContact CG-CH2 4.02Å; K455-W459 HydrophobicContact CG-CZ3 3.58Å; G457-W459 PolarHBondContact O-N 3.45Å; G457-W459 VanDerWaalsContact O-N 3.1Å; W459-V461 PolarHBondContact O-N 2.88Å; W459-V461 VanDerWaalsContact O-N 3.15Å; W459-F462 WeakPolarHBondContact O-CE1 3.49Å; W459-F462 WeakPolarHBondContact O-CZ 3.03Å; W459-L473 HydrophobicContact CH2-CD2 3.47Å; W459-L473 VanDerWaalsContact CH2-CD2 3.47Å; W459-L473 HydrophobicContact CZ2-CD2 3.72Å; W459-L473 HydrophobicContact CZ3-CD2 4.14Å; W459-T477 HydrophobicContact CZ2-CG2 4.46Å; W459-Y518 HydrophobicContact CZ2-CE1 4.16Å
460A61.4Low72.5Confident38.5 Ų38.582.7 Ų82.732%0.31844%0.439SS..G310 helixtrans-79.149.7-178.600000112.8K455 G457 S458 F462K455-A460 WeakPolarHBondContact O-CB 3.44Å; G457-A460 PolarHBondContact O-N 3.33Å; S458-A460 VanDerWaalsContact C-N 3.28Å; S458-A460 PolarHBondContact O-N 2.91Å; A460-F462 HydrophobicContact CB-CE1 4.1Å; A460-F462 HydrophobicContact CB-CE2 3.74Å; A460-F462 HydrophobicContact CB-CZ 3.4Å; A460-F462 WeakPolarHBondContact O-CE2 3.32Å
461V62.5Low72.5Confident127 Ų12778.5 Ų78.577%0.7742%0.419SS*.  trans-94.3116.1178-178.30000109.1W459W459-V461 PolarHBondContact O-N 2.88Å; W459-V461 VanDerWaalsContact O-N 3.15Å
462F66.4Low72.5Confident52.5 Ų52.577.3 Ų77.323%0.2341%0.41CS..  trans-101.6139.6-179.1-57.1-68.4000111.9W459 A460 D469 V472 L473W459-F462 WeakPolarHBondContact O-CE1 3.49Å; W459-F462 WeakPolarHBondContact O-CZ 3.03Å; A460-F462 HydrophobicContact CB-CE1 4.1Å; A460-F462 HydrophobicContact CB-CE2 3.74Å; A460-F462 HydrophobicContact CB-CZ 3.4Å; A460-F462 WeakPolarHBondContact O-CE2 3.32Å; F462-D469 HydrophobicContact CD2-CB 3.85Å; F462-D469 HydrophobicContact CE2-CB 3.93Å; F462-V472 HydrophobicContact CB-CG1 3.99Å; F462-V472 HydrophobicContact CD1-CB 4.29Å; F462-V472 HydrophobicContact CD1-CG1 3.46Å; F462-V472 HydrophobicContact CE1-CG1 4.02Å; F462-V472 HydrophobicContact CG-CG1 4.02Å; F462-L473 HydrophobicContact CE1-CD2 4.06Å; F462-L473 HydrophobicContact CE1-CG 4.11Å; F462-L473 HydrophobicContact CE2-CD1 4.36Å; F462-L473 HydrophobicContact CE2-CD2 4.26Å; F462-L473 HydrophobicContact CE2-CG 4.28Å; F462-L473 HydrophobicContact CZ-CD1 3.99Å; F462-L473 HydrophobicContact CZ-CD2 3.49Å; F462-L473 VanDerWaalsContact CZ-CD2 3.45Å; F462-L473 HydrophobicContact CZ-CG 3.78Å
463P61.7Low72.5Confident100 Ų10077.8 Ų77.865%0.64941%0.414SS*.  trans-60.6150.1165.9-13.726.5000110.2T465P463-T465 VanDerWaalsContact C-N 3.32Å; P463-T465 HydrophobicContact CB-CG2 4.23Å; P463-T465 WeakPolarHBondContact O-CG2 3.34Å; P463-T465 PolarHBondContact O-N 3.2Å
464K62.7Low72.7Confident220 Ų22070.9 Ų70.996%0.95739%0.388SS*.  trans-67.887.1174.4-68.9-176.9179.3178.50110.2G466K464-G466 VanDerWaalsContact C-N 3.35Å
465T66.3Low73Confident65.5 Ų65.563.6 Ų63.640%0.40237%0.367SS..  trans-88-7.9-175.852.90000113.7P463 L467 V472P463-T465 VanDerWaalsContact C-N 3.32Å; P463-T465 HydrophobicContact CB-CG2 4.23Å; P463-T465 WeakPolarHBondContact O-CG2 3.34Å; P463-T465 PolarHBondContact O-N 3.2Å; T465-L467 PolarHBondContact O-N 3.33Å; T465-L467 PolarHBondContact OG1-N 3.05Å; T465-V472 HydrophobicContact CG2-CG2 4.25Å; T465-V472 VanDerWaalsContact OG1-CG2 3.25Å; T465-V472 WeakPolarHBondContact OG1-CG2 3.33Å
466G71.2Confident73.5Confident37 Ų3762 Ų6238%0.38136%0.358SS..SBendtrans66.112.1-172.200000113.8K464 R587K464-G466 VanDerWaalsContact C-N 3.35Å; G466-R587 WeakPolarHBondContact O-CG 3.37Å
467L79.2Confident74.5Confident36 Ų3659.7 Ų59.719%0.18834%0.343CS..SBendtrans-100.8167.7169.8-64170.8000109.4T465 T471 V472 K590 D591 Q594T465-L467 PolarHBondContact O-N 3.33Å; T465-L467 PolarHBondContact OG1-N 3.05Å; L467-T471 HydrophobicContact CB-CG2 4.45Å; L467-T471 HydrophobicContact CD1-CG2 4.22Å; L467-T471 HydrophobicContact CD2-CG2 4.33Å; L467-V472 HydrophobicContact CB-CG2 4Å; L467-V472 HydrophobicContact CD1-CG2 4.45Å; L467-K590 HydrophobicContact CD2-CB 3.72Å; L467-D591 WeakPolarHBondContact CA-OD1 3.29Å; L467-D591 WeakPolarHBondContact CB-OD1 3.36Å; L467-D591 VanDerWaalsContact CD2-OD1 3.31Å; L467-D591 WeakPolarHBondContact CD2-OD1 3.42Å; L467-Q594 HydrophobicContact CD1-CG 4.29Å; L467-Q594 HydrophobicContact CD2-CB 4.27Å
468S80Confident75.7Confident7.5 Ų7.560.6 Ų60.65%0.05234%0.335CS..  trans-72.3149.2166.2620000111.8A470 T471 V472 W526 D591S468-A470 PolarHBondContact O-N 3.14Å; S468-A470 VanDerWaalsContact O-N 3.16Å; S468-T471 WeakPolarHBondContact O-CB 3.32Å; S468-T471 PolarHBondContact O-N 3.1Å; S468-T471 PolarHBondContact OG-N 2.86Å; S468-T471 PolarHBondContact OG-OG1 3.07Å; S468-V472 WeakPolarHBondContact O-CG2 3.45Å; S468-V472 PolarHBondContact O-N 3.14Å; S468-W526 PolarHBondContact OG-NE1 3.3Å; S468-D591 WeakPolarHBondContact CB-OD2 3.47Å; S468-D591 PolarHBondContact N-OD1 3.32Å; S468-D591 PolarHBondContact N-OD2 2.92Å; S468-D591 PolarHBondContact OG-OD1 3.5Å; S468-D591 PolarHBondContact OG-OD2 3.28Å
469D80.6Confident76.9Confident103 Ų10360.1 Ų60.155%0.55132%0.321SS*.Hα-helixtrans-53.9-36.9176.6-60.4-21.6000111.9F462 T471 V472 L473F462-D469 HydrophobicContact CD2-CB 3.85Å; F462-D469 HydrophobicContact CE2-CB 3.93Å; D469-T471 PolarHBondContact O-N 3.02Å; D469-V472 PolarHBondContact O-N 3.2Å; D469-L473 WeakPolarHBondContact O-CB 3.45Å; D469-L473 VanDerWaalsContact O-CG 3.26Å; D469-L473 WeakPolarHBondContact O-CG 3.28Å; D469-L473 PolarHBondContact O-N 3.43Å
470A83.9Confident78.2Confident22.5 Ų22.555.3 Ų55.319%0.18630%0.304CS..Hα-helixtrans-62.3-44.8175.700000112.4S468 V472 L473 I474 T522 W526S468-A470 PolarHBondContact O-N 3.14Å; S468-A470 VanDerWaalsContact O-N 3.16Å; A470-V472 VanDerWaalsContact C-N 3.29Å; A470-V472 PolarHBondContact O-N 2.95Å; A470-L473 PolarHBondContact O-N 3.2Å; A470-I474 WeakPolarHBondContact O-CB 3.44Å; A470-I474 WeakPolarHBondContact O-CD1 3.26Å; A470-I474 VanDerWaalsContact O-CG1 3.25Å; A470-I474 WeakPolarHBondContact O-CG1 3.44Å; A470-I474 PolarHBondContact O-N 3.07Å; A470-T522 HydrophobicContact CB-CG2 4.1Å; A470-W526 HydrophobicContact CB-CB 3.89Å; A470-W526 HydrophobicContact CB-CG 4.15Å
471T85.8Confident79.5Confident0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-64.2-39.6176.9-54.30000111.3L467 S468 D469 I474 A475 D591 Q594 L595L467-T471 HydrophobicContact CB-CG2 4.45Å; L467-T471 HydrophobicContact CD1-CG2 4.22Å; L467-T471 HydrophobicContact CD2-CG2 4.33Å; S468-T471 WeakPolarHBondContact O-CB 3.32Å; S468-T471 PolarHBondContact O-N 3.1Å; S468-T471 PolarHBondContact OG-N 2.86Å; S468-T471 PolarHBondContact OG-OG1 3.07Å; D469-T471 PolarHBondContact O-N 3.02Å; T471-I474 PolarHBondContact O-N 2.93Å; T471-A475 PolarHBondContact O-N 3.15Å; T471-A475 VanDerWaalsContact O-N 3.09Å; T471-D591 VanDerWaalsContact CB-OD1 3.31Å; T471-D591 WeakPolarHBondContact CB-OD1 3.5Å; T471-D591 PolarHBondContact OG1-OD1 3.24Å; T471-Q594 HydrophobicContact CG2-CB 3.81Å; T471-Q594 HydrophobicContact CG2-CG 3.72Å; T471-L595 HydrophobicContact CG2-CD2 4.16Å; T471-L595 HydrophobicContact CG2-CG 4.13Å
472V85.9Confident80.7Confident19.5 Ų19.553.7 Ų53.712%0.11828%0.283CS..Hα-helixtrans-64.1-44.4177179.30000111F462 T465 L467 S468 D469 A470 I474 A475 R476F462-V472 HydrophobicContact CB-CG1 3.99Å; F462-V472 HydrophobicContact CD1-CB 4.29Å; F462-V472 HydrophobicContact CD1-CG1 3.46Å; F462-V472 HydrophobicContact CE1-CG1 4.02Å; F462-V472 HydrophobicContact CG-CG1 4.02Å; T465-V472 HydrophobicContact CG2-CG2 4.25Å; T465-V472 VanDerWaalsContact OG1-CG2 3.25Å; T465-V472 WeakPolarHBondContact OG1-CG2 3.33Å; L467-V472 HydrophobicContact CB-CG2 4Å; L467-V472 HydrophobicContact CD1-CG2 4.45Å; S468-V472 WeakPolarHBondContact O-CG2 3.45Å; S468-V472 PolarHBondContact O-N 3.14Å; D469-V472 PolarHBondContact O-N 3.2Å; A470-V472 VanDerWaalsContact C-N 3.29Å; A470-V472 PolarHBondContact O-N 2.95Å; V472-I474 VanDerWaalsContact C-N 3.34Å; V472-I474 PolarHBondContact O-N 3.1Å; V472-A475 PolarHBondContact O-N 3.06Å; V472-R476 WeakPolarHBondContact O-CB 3.35Å; V472-R476 PolarHBondContact O-N 2.98Å
473L85.9Confident81.8Confident29 Ų2955 Ų5515%0.15229%0.29CS..Hα-helixtrans-59.8-45.1175.5-77.9166.9000111.9W459 F462 D469 A470 A475 R476 T477 T522W459-L473 HydrophobicContact CH2-CD2 3.47Å; W459-L473 VanDerWaalsContact CH2-CD2 3.47Å; W459-L473 HydrophobicContact CZ2-CD2 3.72Å; W459-L473 HydrophobicContact CZ3-CD2 4.14Å; F462-L473 HydrophobicContact CE1-CD2 4.06Å; F462-L473 HydrophobicContact CE1-CG 4.11Å; F462-L473 HydrophobicContact CE2-CD1 4.36Å; F462-L473 HydrophobicContact CE2-CD2 4.26Å; F462-L473 HydrophobicContact CE2-CG 4.28Å; F462-L473 HydrophobicContact CZ-CD1 3.99Å; F462-L473 HydrophobicContact CZ-CD2 3.49Å; F462-L473 VanDerWaalsContact CZ-CD2 3.45Å; F462-L473 HydrophobicContact CZ-CG 3.78Å; D469-L473 WeakPolarHBondContact O-CB 3.45Å; D469-L473 VanDerWaalsContact O-CG 3.26Å; D469-L473 WeakPolarHBondContact O-CG 3.28Å; D469-L473 PolarHBondContact O-N 3.43Å; A470-L473 PolarHBondContact O-N 3.2Å; L473-A475 VanDerWaalsContact C-N 3.32Å; L473-A475 PolarHBondContact O-N 3.36Å; L473-R476 PolarHBondContact O-N 2.92Å; L473-T477 WeakPolarHBondContact O-CB 3.42Å; L473-T477 WeakPolarHBondContact O-CG2 3.36Å; L473-T477 PolarHBondContact O-N 3.12Å; L473-T477 PolarHBondContact O-OG1 3.31Å; L473-T522 HydrophobicContact CB-CG2 4.38Å
474I88.8Confident83.1Confident0 Ų050.4 Ų50.40%026%0.259CS..Hα-helixtrans-59.9-45.2177.6-71.8164000111.3A470 T471 V472 T477 K478 R519 T522 F523 L595 L598 Y600A470-I474 WeakPolarHBondContact O-CB 3.44Å; A470-I474 WeakPolarHBondContact O-CD1 3.26Å; A470-I474 VanDerWaalsContact O-CG1 3.25Å; A470-I474 WeakPolarHBondContact O-CG1 3.44Å; A470-I474 PolarHBondContact O-N 3.07Å; T471-I474 PolarHBondContact O-N 2.93Å; V472-I474 VanDerWaalsContact C-N 3.34Å; V472-I474 PolarHBondContact O-N 3.1Å; I474-T477 WeakPolarHBondContact CA-OG1 3.33Å; I474-T477 PolarHBondContact O-OG1 2.91Å; I474-K478 PolarHBondContact O-N 3.17Å; I474-K478 VanDerWaalsContact O-N 3.16Å; I474-R519 HydrophobicContact CB-CG 4.08Å; I474-R519 HydrophobicContact CG1-CG 4.09Å; I474-R519 HydrophobicContact CG2-CG 3.64Å; I474-R519 WeakPolarHBondContact O-CD 3.45Å; I474-T522 HydrophobicContact CD1-CG2 4.16Å; I474-T522 HydrophobicContact CG1-CG2 3.88Å; I474-F523 HydrophobicContact CD1-CB 3.82Å; I474-F523 HydrophobicContact CD1-CD2 4.29Å; I474-L595 HydrophobicContact CB-CD2 4.42Å; I474-L595 HydrophobicContact CD1-CD2 3.71Å; I474-L595 HydrophobicContact CG2-CD2 3.95Å; I474-L598 HydrophobicContact CG2-CD1 3.89Å; I474-Y600 HydrophobicContact CG2-CD2 4.42Å; I474-Y600 HydrophobicContact CG2-CE2 3.77Å
475A86Confident84.4Confident29 Ų2941.1 Ų41.124%0.2422%0.222CC..Hα-helixtrans-64.2-44.217800000111.7T471 V472 L473 K478 Q479 L598T471-A475 PolarHBondContact O-N 3.15Å; T471-A475 VanDerWaalsContact O-N 3.09Å; V472-A475 PolarHBondContact O-N 3.06Å; L473-A475 VanDerWaalsContact C-N 3.32Å; L473-A475 PolarHBondContact O-N 3.36Å; A475-K478 PolarHBondContact O-N 3.19Å; A475-Q479 PolarHBondContact O-N 2.83Å; A475-L598 HydrophobicContact CB-CD1 4.29Å
476R84.5Confident85.4Confident83.5 Ų83.543.6 Ų43.632%0.31523%0.229SC..Hα-helixtrans-65.3-41.7-179.6-171119.4-170.8178.13.3112.2V472 L473 K478 Q479 E480V472-R476 WeakPolarHBondContact O-CB 3.35Å; V472-R476 PolarHBondContact O-N 2.98Å; L473-R476 PolarHBondContact O-N 2.92Å; R476-K478 VanDerWaalsContact C-N 3.31Å; R476-K478 PolarHBondContact O-N 3.04Å; R476-Q479 WeakPolarHBondContact O-CB 3.47Å; R476-Q479 PolarHBondContact O-N 3.4Å; R476-Q479 VanDerWaalsContact O-N 3.12Å; R476-E480 IonicContact CZ-OE1 2.7Å; R476-E480 VanDerWaalsContact CZ-OE1 3.24Å; R476-E480 IonicContact NE-OE1 3.76Å; R476-E480 PolarHBondContact NE-OE1 2.85Å; R476-E480 IonicContact NH2-OE1 3.78Å; R476-E480 PolarHBondContact NH2-OE1 3.46Å; R476-E480 WeakPolarHBondContact O-CG 3.35Å; R476-E480 PolarHBondContact O-N 2.95Å
477T88.6Confident86.2Confident1.5 Ų1.543.3 Ų43.31%0.00922%0.219CC..Hα-helixtrans-62.8-37.8176.5-3.40000112F452 W459 L473 I474 E481 L515 Y518 R519F452-T477 HydrophobicContact CE2-CG2 4.07Å; F452-T477 HydrophobicContact CZ-CG2 4.16Å; W459-T477 HydrophobicContact CZ2-CG2 4.46Å; L473-T477 WeakPolarHBondContact O-CB 3.42Å; L473-T477 WeakPolarHBondContact O-CG2 3.36Å; L473-T477 PolarHBondContact O-N 3.12Å; L473-T477 PolarHBondContact O-OG1 3.31Å; I474-T477 WeakPolarHBondContact CA-OG1 3.33Å; I474-T477 PolarHBondContact O-OG1 2.91Å; T477-E481 PolarHBondContact O-N 3.19Å; T477-E481 VanDerWaalsContact O-N 3.1Å; T477-L515 HydrophobicContact CG2-CB 3.8Å; T477-L515 HydrophobicContact CG2-CD2 4.1Å; T477-L515 HydrophobicContact CG2-CG 4.41Å; T477-L515 WeakPolarHBondContact CG2-O 3.47Å; T477-Y518 HydrophobicContact CG2-CD1 3.76Å; T477-Y518 VanDerWaalsContact CG2-CD1 3.47Å; T477-Y518 HydrophobicContact CG2-CE1 3.68Å; T477-R519 HydrophobicContact CG2-CB 4.1Å; T477-R519 WeakPolarHBondContact OG1-CG 3.43Å
478K88.4Confident86.7Confident62 Ų6242.9 Ų42.927%0.2722%0.216SC..Hα-helixtrans-67.2-37.6172.2-175.353.6163.21800112.3I474 A475 R476 E481 M482 R519I474-K478 PolarHBondContact O-N 3.17Å; I474-K478 VanDerWaalsContact O-N 3.16Å; A475-K478 PolarHBondContact O-N 3.19Å; R476-K478 VanDerWaalsContact C-N 3.31Å; R476-K478 PolarHBondContact O-N 3.04Å; K478-E481 HydrophobicContact CD-CB 4.47Å; K478-E481 WeakPolarHBondContact CD-OE2 3.17Å; K478-E481 VanDerWaalsContact NZ-CD 3.26Å; K478-E481 IonicContact NZ-OE1 2.92Å; K478-E481 PolarHBondContact NZ-OE1 3.13Å; K478-E481 IonicContact NZ-OE2 2.98Å; K478-E481 PolarHBondContact NZ-OE2 3.06Å; K478-E481 VanDerWaalsContact NZ-OE2 3.1Å; K478-E481 WeakPolarHBondContact O-CB 3.41Å; K478-E481 PolarHBondContact O-N 2.97Å; K478-M482 HydrophobicContact CD-CG 4.26Å; K478-M482 WeakPolarHBondContact O-CG 3.43Å; K478-M482 PolarHBondContact O-N 3.15Å; K478-M482 VanDerWaalsContact O-N 3.12Å; K478-R519 VanDerWaalsContact CD-NH1 3.35Å
479Q86Confident87Confident97.5 Ų97.549.2 Ų49.246%0.45625%0.245SC..Hα-helixtrans-61.4-46175.6-175.4-179.94.700111.8A475 R476 E481 M482 Q483A475-Q479 PolarHBondContact O-N 2.83Å; R476-Q479 WeakPolarHBondContact O-CB 3.47Å; R476-Q479 PolarHBondContact O-N 3.4Å; R476-Q479 VanDerWaalsContact O-N 3.12Å; Q479-E481 VanDerWaalsContact C-N 3.34Å; Q479-E481 PolarHBondContact O-N 3.45Å; Q479-M482 PolarHBondContact O-N 3.15Å; Q479-Q483 WeakPolarHBondContact O-CG 3.38Å; Q479-Q483 PolarHBondContact O-N 2.93Å
480E87Confident87.2Confident30 Ų3046.5 Ų46.514%0.1423%0.232CC..Hα-helixtrans-61.2-41.5176.3-65.9-69.6163.400111.5R476 M482 Q483 I484 L515R476-E480 IonicContact CZ-OE1 2.7Å; R476-E480 VanDerWaalsContact CZ-OE1 3.24Å; R476-E480 IonicContact NE-OE1 3.76Å; R476-E480 PolarHBondContact NE-OE1 2.85Å; R476-E480 IonicContact NH2-OE1 3.78Å; R476-E480 PolarHBondContact NH2-OE1 3.46Å; R476-E480 WeakPolarHBondContact O-CG 3.35Å; R476-E480 PolarHBondContact O-N 2.95Å; E480-M482 VanDerWaalsContact C-N 3.31Å; E480-M482 PolarHBondContact O-N 3.25Å; E480-Q483 PolarHBondContact O-N 3Å; E480-Q483 PolarHBondContact OE2-OE1 3.49Å; E480-I484 WeakPolarHBondContact O-CD1 3.37Å; E480-I484 VanDerWaalsContact O-CG1 3.26Å; E480-I484 WeakPolarHBondContact O-CG1 3.36Å; E480-I484 PolarHBondContact O-N 3.23Å; E480-L515 HydrophobicContact CB-CD1 3.97Å; E480-L515 HydrophobicContact CB-CD2 4.45Å
481E89Confident87.5Confident31 Ų3145.4 Ų45.415%0.14522%0.223CC..Hα-helixtrans-58.5-41.2175.5-171.8-161.9137.100112.2T477 K478 Q479 S485 K512 L515 R519T477-E481 PolarHBondContact O-N 3.19Å; T477-E481 VanDerWaalsContact O-N 3.1Å; K478-E481 HydrophobicContact CD-CB 4.47Å; K478-E481 WeakPolarHBondContact CD-OE2 3.17Å; K478-E481 VanDerWaalsContact NZ-CD 3.26Å; K478-E481 IonicContact NZ-OE1 2.92Å; K478-E481 PolarHBondContact NZ-OE1 3.13Å; K478-E481 IonicContact NZ-OE2 2.98Å; K478-E481 PolarHBondContact NZ-OE2 3.06Å; K478-E481 VanDerWaalsContact NZ-OE2 3.1Å; K478-E481 WeakPolarHBondContact O-CB 3.41Å; K478-E481 PolarHBondContact O-N 2.97Å; Q479-E481 VanDerWaalsContact C-N 3.34Å; Q479-E481 PolarHBondContact O-N 3.45Å; E481-S485 PolarHBondContact O-N 3.34Å; E481-S485 VanDerWaalsContact O-N 3.15Å; E481-S485 PolarHBondContact O-OG 2.95Å; E481-K512 HydrophobicContact CG-CB 4.35Å; E481-K512 HydrophobicContact CG-CD 4.42Å; E481-K512 HydrophobicContact CG-CG 4.07Å; E481-L515 HydrophobicContact CB-CD1 4.17Å; E481-R519 IonicContact OE2-CZ 3.61Å; E481-R519 IonicContact OE2-NH1 3.4Å; E481-R519 PolarHBondContact OE2-NH1 3.24Å; E481-R519 IonicContact OE2-NH2 2.82Å; E481-R519 PolarHBondContact OE2-NH2 3.14Å
482M87Confident87.7Confident100.5 Ų100.546.5 Ų46.550%0.49523%0.232SC..Hα-helixtrans-68.8-43.2176.7-66.9-115.1-62.200111.5K478 Q479 E480 I484 S485 E486K478-M482 HydrophobicContact CD-CG 4.26Å; K478-M482 WeakPolarHBondContact O-CG 3.43Å; K478-M482 PolarHBondContact O-N 3.15Å; K478-M482 VanDerWaalsContact O-N 3.12Å; Q479-M482 PolarHBondContact O-N 3.15Å; E480-M482 VanDerWaalsContact C-N 3.31Å; E480-M482 PolarHBondContact O-N 3.25Å; M482-I484 VanDerWaalsContact C-N 3.31Å; M482-I484 PolarHBondContact O-N 2.9Å; M482-S485 WeakPolarHBondContact O-CA 3.27Å; M482-S485 WeakPolarHBondContact O-CB 3.39Å; M482-S485 PolarHBondContact O-N 3.01Å; M482-E486 WeakPolarHBondContact O-CB 3.26Å; M482-E486 WeakPolarHBondContact O-CG 3.25Å; M482-E486 PolarHBondContact O-N 2.97Å
483Q88.2Confident87.6Confident80 Ų8050.1 Ų50.137%0.37425%0.248SC..Hα-helixtrans-61.2-38.4177.8-73.5178.4-14.700112.5Q479 E480 S485 L487Q479-Q483 WeakPolarHBondContact O-CG 3.38Å; Q479-Q483 PolarHBondContact O-N 2.93Å; E480-Q483 PolarHBondContact O-N 3Å; E480-Q483 PolarHBondContact OE2-OE1 3.49Å; Q483-S485 VanDerWaalsContact C-N 3.31Å; Q483-L487 VanDerWaalsContact O-CB 3.3Å; Q483-L487 WeakPolarHBondContact O-CB 3.4Å; Q483-L487 PolarHBondContact O-N 3.03Å
484I89.7Confident87.7Confident3 Ų349 Ų492%0.01524%0.242CC..Hα-helixtrans-65.5-38174-62.7158.4000110.7L445 E480 M482 L488 C508 F511 K512 L515L445-I484 HydrophobicContact CD1-CD1 4.43Å; L445-I484 HydrophobicContact CD1-CG1 4.11Å; L445-I484 HydrophobicContact CD1-CG2 4.03Å; E480-I484 WeakPolarHBondContact O-CD1 3.37Å; E480-I484 VanDerWaalsContact O-CG1 3.26Å; E480-I484 WeakPolarHBondContact O-CG1 3.36Å; E480-I484 PolarHBondContact O-N 3.23Å; M482-I484 VanDerWaalsContact C-N 3.31Å; M482-I484 PolarHBondContact O-N 2.9Å; I484-L488 WeakPolarHBondContact O-CB 3.21Å; I484-L488 PolarHBondContact O-N 3.31Å; I484-C508 HydrophobicContact CG2-CB 3.82Å; I484-F511 HydrophobicContact CD1-CD1 3.28Å; I484-F511 HydrophobicContact CD1-CE1 3.48Å; I484-F511 VanDerWaalsContact CD1-CE1 3.42Å; I484-F511 HydrophobicContact CD1-CG 4.01Å; I484-F511 HydrophobicContact CD1-CZ 4.34Å; I484-F511 HydrophobicContact CG1-CD1 4.21Å; I484-F511 HydrophobicContact CG1-CE1 4.35Å; I484-K512 HydrophobicContact CG2-CG 4.21Å; I484-L515 HydrophobicContact CD1-CD1 3.58Å
485S89.5Confident87.8Confident25 Ų2549 Ų4918%0.17524%0.242CC..Hα-helixtrans-65-49.8177.4-53.90000111.4E481 M482 Q483 L487 L488 E489 K512E481-S485 PolarHBondContact O-N 3.34Å; E481-S485 VanDerWaalsContact O-N 3.15Å; E481-S485 PolarHBondContact O-OG 2.95Å; M482-S485 WeakPolarHBondContact O-CA 3.27Å; M482-S485 WeakPolarHBondContact O-CB 3.39Å; M482-S485 PolarHBondContact O-N 3.01Å; Q483-S485 VanDerWaalsContact C-N 3.31Å; S485-L487 VanDerWaalsContact C-N 3.34Å; S485-L487 PolarHBondContact O-N 3.05Å; S485-L488 PolarHBondContact O-N 3.25Å; S485-E489 WeakPolarHBondContact O-CG 3.37Å; S485-E489 PolarHBondContact O-N 3.35Å; S485-K512 VanDerWaalsContact CA-NZ 3.32Å; S485-K512 WeakPolarHBondContact OG-CE 3.23Å; S485-K512 PolarHBondContact OG-NZ 3.03Å
486E87.5Confident87.9Confident118.5 Ų118.551.6 Ų51.655%0.55425%0.252SS*.Hα-helixtrans-60.4-43.6177.2-122.6176.3-17500111.5M482 L488 E489 T490M482-E486 WeakPolarHBondContact O-CB 3.26Å; M482-E486 WeakPolarHBondContact O-CG 3.25Å; M482-E486 PolarHBondContact O-N 2.97Å; E486-L488 PolarHBondContact O-N 3.01Å; E486-E489 PolarHBondContact O-N 3.06Å; E486-T490 WeakPolarHBondContact O-CB 3.31Å; E486-T490 PolarHBondContact O-N 2.85Å; E486-T490 PolarHBondContact O-OG1 3.21Å
487L88Confident88.1Confident30 Ų3052 Ų5216%0.15726%0.26CS..Hα-helixtrans-61.2-44.2176.8-18062.6000111.8L411 V441 Q483 S485 T490 V491L411-L487 HydrophobicContact CD1-CD1 3.6Å; L411-L487 HydrophobicContact CD2-CD1 3.83Å; V441-L487 HydrophobicContact CG1-CD1 4.34Å; V441-L487 HydrophobicContact CG1-CD2 4.07Å; V441-L487 HydrophobicContact CG1-CG 4.15Å; Q483-L487 VanDerWaalsContact O-CB 3.3Å; Q483-L487 WeakPolarHBondContact O-CB 3.4Å; Q483-L487 PolarHBondContact O-N 3.03Å; S485-L487 VanDerWaalsContact C-N 3.34Å; S485-L487 PolarHBondContact O-N 3.05Å; L487-T490 PolarHBondContact O-N 2.91Å; L487-V491 HydrophobicContact CD1-CG2 3.98Å; L487-V491 VanDerWaalsContact O-CB 3.28Å; L487-V491 WeakPolarHBondContact O-CB 3.34Å; L487-V491 VanDerWaalsContact O-CG2 3.26Å; L487-V491 WeakPolarHBondContact O-CG2 3.21Å; L487-V491 PolarHBondContact O-N 3.11Å; L487-V491 VanDerWaalsContact O-N 3.08Å
488L89.7Confident88.2Confident27 Ų2752.6 Ų52.614%0.14126%0.263CS..Hα-helixtrans-65.1-44.6179.3-175.667.4000111.5I484 S485 E486 V491 A492 F501 L504 R505 C508I484-L488 WeakPolarHBondContact O-CB 3.21Å; I484-L488 PolarHBondContact O-N 3.31Å; S485-L488 PolarHBondContact O-N 3.25Å; E486-L488 PolarHBondContact O-N 3.01Å; L488-V491 PolarHBondContact O-N 3.17Å; L488-A492 VanDerWaalsContact O-CB 3.3Å; L488-A492 WeakPolarHBondContact O-CB 3.3Å; L488-A492 PolarHBondContact O-N 3.06Å; L488-F501 HydrophobicContact CD1-CE2 3.77Å; L488-F501 HydrophobicContact CD1-CZ 4.12Å; L488-L504 HydrophobicContact CD1-CD2 4.44Å; L488-L504 HydrophobicContact CD1-CG 4.39Å; L488-R505 HydrophobicContact CD1-CB 4.41Å; L488-R505 HydrophobicContact CD2-CG 4.39Å; L488-C508 HydrophobicContact CD1-CB 4.45Å; L488-C508 HydrophobicContact CD2-CB 4.21Å
489E86.7Confident88.2Confident140 Ų14054.7 Ų54.765%0.65428%0.284SS*.Hα-helixtrans-63.3-44.3176.6-74.4173.5-167.600111.6S485 E486 V491 A492S485-E489 WeakPolarHBondContact O-CG 3.37Å; S485-E489 PolarHBondContact O-N 3.35Å; E486-E489 PolarHBondContact O-N 3.06Å; E489-V491 VanDerWaalsContact C-N 3.31Å; E489-V491 PolarHBondContact O-N 2.91Å; E489-A492 PolarHBondContact O-N 2.81Å
490T85.4Confident88.4Confident46 Ų4651.5 Ų51.528%0.28228%0.276SS..Hα-helixtrans-63-38.2-179.4-610000112.2L411 L415 E486 L487L411-T490 HydrophobicContact CD1-CG2 4.31Å; L411-T490 HydrophobicContact CD2-CG2 3.95Å; L411-T490 HydrophobicContact CG-CG2 4.28Å; L415-T490 HydrophobicContact CD1-CG2 3.51Å; L415-T490 HydrophobicContact CD2-CG2 3.7Å; L415-T490 HydrophobicContact CG-CG2 4.08Å; E486-T490 WeakPolarHBondContact O-CB 3.31Å; E486-T490 PolarHBondContact O-N 2.85Å; E486-T490 PolarHBondContact O-OG1 3.21Å; L487-T490 PolarHBondContact O-N 2.91Å
491V89.6Confident88.7Confident0 Ų050.5 Ų50.50%027%0.272CS..Hα-helixtrans-86.7-26.4-176.1174.20000111.9L411 V441 L487 L488 E489 E493 L494 V495L411-V491 HydrophobicContact CD1-CG2 3.65Å; L411-V491 HydrophobicContact CD2-CG2 3.96Å; L411-V491 VanDerWaalsContact CD2-CG2 3.46Å; V441-V491 HydrophobicContact CG1-CG2 4.43Å; V441-V491 HydrophobicContact CG2-CG1 4.42Å; V441-V491 HydrophobicContact CG2-CG2 3.98Å; L487-V491 HydrophobicContact CD1-CG2 3.98Å; L487-V491 VanDerWaalsContact O-CB 3.28Å; L487-V491 WeakPolarHBondContact O-CB 3.34Å; L487-V491 VanDerWaalsContact O-CG2 3.26Å; L487-V491 WeakPolarHBondContact O-CG2 3.21Å; L487-V491 PolarHBondContact O-N 3.11Å; L487-V491 VanDerWaalsContact O-N 3.08Å; L488-V491 PolarHBondContact O-N 3.17Å; E489-V491 VanDerWaalsContact C-N 3.31Å; E489-V491 PolarHBondContact O-N 2.91Å; V491-E493 PolarHBondContact O-N 2.82Å; V491-L494 WeakPolarHBondContact O-CB 3.34Å; V491-L494 PolarHBondContact O-N 3.25Å; V491-V495 HydrophobicContact CG1-CB 4.47Å; V491-V495 HydrophobicContact CG1-CG1 4.31Å; V491-V495 HydrophobicContact CG1-CG2 3.43Å; V491-V495 VanDerWaalsContact CG1-CG2 3.48Å; V491-V495 WeakPolarHBondContact O-CG2 3.28Å; V491-V495 PolarHBondContact O-N 2.85Å
492A90Very high88.9Confident22.5 Ų22.552.4 Ų52.419%0.18629%0.288CS..Hα-helixtrans-49.8-53.9-175.900000112.9L488 E489 L494 V495 D496 F501L488-A492 VanDerWaalsContact O-CB 3.3Å; L488-A492 WeakPolarHBondContact O-CB 3.3Å; L488-A492 PolarHBondContact O-N 3.06Å; E489-A492 PolarHBondContact O-N 2.81Å; A492-L494 PolarHBondContact O-N 3.32Å; A492-V495 PolarHBondContact O-N 3.13Å; A492-V495 VanDerWaalsContact O-N 3.11Å; A492-D496 WeakPolarHBondContact O-CA 3.35Å; A492-D496 WeakPolarHBondContact O-CB 3.36Å; A492-D496 VanDerWaalsContact O-CG 3.3Å; A492-D496 PolarHBondContact O-N 3.15Å; A492-F501 HydrophobicContact CB-CE1 4.48Å; A492-F501 HydrophobicContact CB-CE2 4.18Å; A492-F501 HydrophobicContact CB-CZ 3.65Å
493E83.7Confident89.1Confident97 Ų9750.8 Ų50.845%0.45328%0.282SS..Hα-helixtrans-62.7-21.9-176.4-66.3-176.7-128.500114.1K418 C422 K427 V491K418-E493 VanDerWaalsContact CE-CD 3.42Å; K418-E493 WeakPolarHBondContact CE-OE2 3.4Å; K418-E493 IonicContact NZ-OE1 3.3Å; K418-E493 PolarHBondContact NZ-OE1 2.77Å; K418-E493 IonicContact NZ-OE2 2.98Å; K418-E493 PolarHBondContact NZ-OE2 2.97Å; C422-E493 PolarHBondContact SG-O 3.15Å; C422-E493 VanDerWaalsContact SG-O 3.41Å; K427-E493 WeakPolarHBondContact CE-O 3.34Å; K427-E493 PolarHBondContact NZ-O 3.04Å; V491-E493 PolarHBondContact O-N 2.82Å
494L88Confident89.4Confident4 Ų447 Ų472%0.02126%0.264CS..Hα-helixtrans-87-28.9-179.8-64.8169.1000112.5L411 F414 L415 K418 R434 L437 V491 A492L411-L494 HydrophobicContact CD1-CD1 4.46Å; F414-L494 HydrophobicContact CB-CD1 3.83Å; F414-L494 HydrophobicContact CD1-CD1 4.44Å; L415-L494 HydrophobicContact CD2-CD1 4.33Å; K418-L494 HydrophobicContact CG-CD2 4.41Å; R434-L494 VanDerWaalsContact CZ-O 3.27Å; R434-L494 PolarHBondContact NE-O 2.98Å; R434-L494 PolarHBondContact NH2-O 3.24Å; L437-L494 HydrophobicContact CD2-CD1 4.16Å; V491-L494 WeakPolarHBondContact O-CB 3.34Å; V491-L494 PolarHBondContact O-N 3.25Å; A492-L494 PolarHBondContact O-N 3.32Å
495V91.3Very high89.5Confident0 Ų053.7 Ų53.70%029%0.289CS..Hα-helixtrans-136.17.2-168.6-52.40000114.8R434 L437 L438 V491 A492 D497 L498 F501R434-V495 HydrophobicContact CB-CG1 4.37Å; L437-V495 HydrophobicContact CD2-CG1 4.48Å; L438-V495 HydrophobicContact CB-CG1 4.36Å; L438-V495 HydrophobicContact CD1-CG2 4.02Å; V491-V495 HydrophobicContact CG1-CB 4.47Å; V491-V495 HydrophobicContact CG1-CG1 4.31Å; V491-V495 HydrophobicContact CG1-CG2 3.43Å; V491-V495 VanDerWaalsContact CG1-CG2 3.48Å; V491-V495 WeakPolarHBondContact O-CG2 3.28Å; V491-V495 PolarHBondContact O-N 2.85Å; A492-V495 PolarHBondContact O-N 3.13Å; A492-V495 VanDerWaalsContact O-N 3.11Å; V495-D497 VanDerWaalsContact C-N 3.3Å; V495-D497 PolarHBondContact O-N 3.18Å; V495-L498 HydrophobicContact CB-CD1 4.06Å; V495-L498 HydrophobicContact CG1-CD1 4.27Å; V495-L498 WeakPolarHBondContact O-CB 3.39Å; V495-L498 PolarHBondContact O-N 3.37Å; V495-F501 HydrophobicContact CG2-CB 4.34Å; V495-F501 HydrophobicContact CG2-CD2 3.63Å; V495-F501 HydrophobicContact CG2-CE2 4.28Å; V495-F501 HydrophobicContact CG2-CG 4.23Å; V495-F501 WeakPolarHBondContact O-CB 3.36Å
496D88.5Confident89.7Confident84.5 Ų84.559.2 Ų59.245%0.45231%0.312SS..THydrogen-bonded Turntrans-56.1-34.3-176.355.2-19.4000115.5K427 A492 L498 F501K427-D496 IonicContact NZ-OD1 3.3Å; K427-D496 PolarHBondContact NZ-OD1 3.13Å; A492-D496 WeakPolarHBondContact O-CA 3.35Å; A492-D496 WeakPolarHBondContact O-CB 3.36Å; A492-D496 VanDerWaalsContact O-CG 3.3Å; A492-D496 PolarHBondContact O-N 3.15Å; D496-L498 VanDerWaalsContact C-N 3.33Å; D496-F501 HydrophobicContact CB-CD1 4.27Å; D496-F501 HydrophobicContact CB-CE1 4.18Å
497D87.6Confident90Very high91 Ų9156.5 Ų56.549%0.48730%0.299SS..THydrogen-bonded Turntrans-78.1-12.7176.353.2-64.5000114K427 R434 V495K427-D497 WeakPolarHBondContact CE-OD1 3.35Å; K427-D497 IonicContact NZ-OD1 3.17Å; K427-D497 PolarHBondContact NZ-OD1 3.32Å; R434-D497 IonicContact CZ-OD1 3.29Å; R434-D497 IonicContact CZ-OD2 3Å; R434-D497 IonicContact NH1-OD1 3.31Å; R434-D497 IonicContact NH1-OD2 3.08Å; R434-D497 PolarHBondContact NH1-OD2 3.16Å; R434-D497 IonicContact NH2-OD1 3.41Å; R434-D497 PolarHBondContact NH2-OD1 3.13Å; R434-D497 IonicContact NH2-OD2 3.03Å; R434-D497 PolarHBondContact NH2-OD2 3.31Å; V495-D497 VanDerWaalsContact C-N 3.3Å; V495-D497 PolarHBondContact O-N 3.18Å
498L91.7Very high90.2Very high14.5 Ų14.555.2 Ų55.28%0.07629%0.292CS..SBendtrans-78.6138.7179.6-64-179.3000111R434 E435 L438 V495 D496 G500 F501R434-L498 HydrophobicContact CB-CD1 3.79Å; E435-L498 HydrophobicContact CG-CD1 3.83Å; E435-L498 HydrophobicContact CG-CD2 4.19Å; L438-L498 HydrophobicContact CD2-CB 4.05Å; L438-L498 HydrophobicContact CD2-CD1 4.19Å; V495-L498 HydrophobicContact CB-CD1 4.06Å; V495-L498 HydrophobicContact CG1-CD1 4.27Å; V495-L498 WeakPolarHBondContact O-CB 3.39Å; V495-L498 PolarHBondContact O-N 3.37Å; D496-L498 VanDerWaalsContact C-N 3.33Å; L498-G500 PolarHBondContact O-N 3.32Å; L498-G500 VanDerWaalsContact O-N 3.16Å; L498-F501 WeakPolarHBondContact O-CB 3.44Å; L498-F501 PolarHBondContact O-N 2.91Å
499P88.1Confident90.4Very high107.5 Ų107.556.2 Ų56.270%0.69830%0.304SS*.THydrogen-bonded Turntrans-60.2-31.9-177.322.7-32.8000113.1F501 S502P499-F501 PolarHBondContact O-N 3.14Å; P499-S502 PolarHBondContact O-N 3.28Å; P499-S502 PolarHBondContact O-OG 3.12Å; P499-S502 VanDerWaalsContact O-OG 3.06Å
500G90.4Very high90.7Very high29 Ų2952.3 Ų52.330%0.29930%0.296SS..Hα-helixtrans-71.1-12.9178.600000114.9L498 S502 D503 L504L498-G500 PolarHBondContact O-N 3.32Å; L498-G500 VanDerWaalsContact O-N 3.16Å; G500-S502 VanDerWaalsContact C-N 3.31Å; G500-S502 PolarHBondContact O-N 2.85Å; G500-D503 PolarHBondContact O-N 3.02Å; G500-L504 PolarHBondContact O-N 3.23Å; G500-L504 VanDerWaalsContact O-N 3.11Å
501F93.1Very high91Very high9 Ų950.1 Ų50.14%0.03928%0.283CS..Hα-helixtrans-69.3-31.2179.9178.1-113.2000112.4L488 A492 V495 D496 L498 P499 L504 R505L488-F501 HydrophobicContact CD1-CE2 3.77Å; L488-F501 HydrophobicContact CD1-CZ 4.12Å; A492-F501 HydrophobicContact CB-CE1 4.48Å; A492-F501 HydrophobicContact CB-CE2 4.18Å; A492-F501 HydrophobicContact CB-CZ 3.65Å; V495-F501 HydrophobicContact CG2-CB 4.34Å; V495-F501 HydrophobicContact CG2-CD2 3.63Å; V495-F501 HydrophobicContact CG2-CE2 4.28Å; V495-F501 HydrophobicContact CG2-CG 4.23Å; V495-F501 WeakPolarHBondContact O-CB 3.36Å; D496-F501 HydrophobicContact CB-CD1 4.27Å; D496-F501 HydrophobicContact CB-CE1 4.18Å; L498-F501 WeakPolarHBondContact O-CB 3.44Å; L498-F501 PolarHBondContact O-N 2.91Å; P499-F501 PolarHBondContact O-N 3.14Å; F501-L504 HydrophobicContact CD2-CD2 4.31Å; F501-L504 PolarHBondContact O-N 2.83Å; F501-R505 WeakPolarHBondContact O-CB 3.44Å; F501-R505 PolarHBondContact O-N 3.13Å
502S92.4Very high91.2Very high71 Ų7152.3 Ų52.350%0.49729%0.292SS..Hα-helixtrans-60.4-44.9173.960.50000111.8P499 G500 R505 E506P499-S502 PolarHBondContact O-N 3.28Å; P499-S502 PolarHBondContact O-OG 3.12Å; P499-S502 VanDerWaalsContact O-OG 3.06Å; G500-S502 VanDerWaalsContact C-N 3.31Å; G500-S502 PolarHBondContact O-N 2.85Å; S502-R505 WeakPolarHBondContact O-CB 3.31Å; S502-R505 PolarHBondContact O-N 3.18Å; S502-E506 WeakPolarHBondContact O-CG 3.5Å; S502-E506 PolarHBondContact O-N 2.94Å
503D92.6Very high91.3Very high67 Ų6756 Ų5636%0.35831%0.309SS..Hα-helixtrans-64.2-42.3175.9174.642.4000111.9G500 R505 E506 K507G500-D503 PolarHBondContact O-N 3.02Å; D503-R505 VanDerWaalsContact C-N 3.35Å; D503-R505 PolarHBondContact O-N 3.18Å; D503-E506 PolarHBondContact O-N 3.36Å; D503-K507 WeakPolarHBondContact O-CB 3.46Å; D503-K507 WeakPolarHBondContact O-CG 3.39Å; D503-K507 PolarHBondContact O-N 3.31Å; D503-K507 WeakPolarHBondContact OD1-CE 3.41Å; D503-K507 IonicContact OD1-NZ 3.3Å; D503-K507 PolarHBondContact OD1-NZ 3.21Å; D503-K507 IonicContact OD2-NZ 3.35Å; D503-K507 PolarHBondContact OD2-NZ 3Å
504L93.3Very high91.7Very high1.5 Ų1.553.9 Ų53.91%0.00830%0.299CS..Hα-helixtrans-59.5-45.7172.7176.465000111.5L438 V441 L445 L488 G500 F501 E506 K507 C508L438-L504 HydrophobicContact CD1-CB 4.06Å; L438-L504 HydrophobicContact CD1-CD2 3.73Å; L438-L504 HydrophobicContact CD1-CG 4.47Å; V441-L504 HydrophobicContact CB-CD2 4.49Å; V441-L504 HydrophobicContact CG1-CD1 4.07Å; V441-L504 HydrophobicContact CG1-CD2 3.68Å; L445-L504 HydrophobicContact CD2-CD1 3.86Å; L488-L504 HydrophobicContact CD1-CD2 4.44Å; L488-L504 HydrophobicContact CD1-CG 4.39Å; G500-L504 PolarHBondContact O-N 3.23Å; G500-L504 VanDerWaalsContact O-N 3.11Å; F501-L504 HydrophobicContact CD2-CD2 4.31Å; F501-L504 PolarHBondContact O-N 2.83Å; L504-E506 PolarHBondContact O-N 2.96Å; L504-K507 PolarHBondContact O-N 3.15Å; L504-C508 WeakPolarHBondContact O-CB 3.19Å; L504-C508 PolarHBondContact O-N 3.37Å; L504-C508 PolarHBondContact O-SG 3.07Å; L504-C508 VanDerWaalsContact O-SG 3.35Å
505R93.1Very high91.8Very high143.5 Ų143.553.7 Ų53.754%0.54230%0.298SS..Hα-helixtrans-61.1-43.7179.8-179.1-177.1-77.5-170.5-5.6111.3L488 F501 S502 D503 C508 A509L488-R505 HydrophobicContact CD1-CB 4.41Å; L488-R505 HydrophobicContact CD2-CG 4.39Å; F501-R505 WeakPolarHBondContact O-CB 3.44Å; F501-R505 PolarHBondContact O-N 3.13Å; S502-R505 WeakPolarHBondContact O-CB 3.31Å; S502-R505 PolarHBondContact O-N 3.18Å; D503-R505 VanDerWaalsContact C-N 3.35Å; D503-R505 PolarHBondContact O-N 3.18Å; R505-C508 PolarHBondContact O-N 3.16Å; R505-A509 PolarHBondContact O-N 3.05Å
506E92.9Very high91.8Very high140 Ų14058.8 Ų58.865%0.65432%0.32SS*.Hα-helixtrans-63.9-44.1176.1-74.2-177.8-178.500112.2S502 D503 L504 C508 A509 A510S502-E506 WeakPolarHBondContact O-CG 3.5Å; S502-E506 PolarHBondContact O-N 2.94Å; D503-E506 PolarHBondContact O-N 3.36Å; L504-E506 PolarHBondContact O-N 2.96Å; E506-C508 PolarHBondContact O-N 3.27Å; E506-A509 PolarHBondContact O-N 3.43Å; E506-A510 WeakPolarHBondContact O-CB 3.38Å; E506-A510 PolarHBondContact O-N 3.03Å
507K92.9Very high91.9Very high62 Ų6258.8 Ų58.827%0.2732%0.323SS..Hα-helixtrans-62.5-42.1175.4-75.1169176.5154.90112.7T442 L445 D503 L504 A509 A510 F511T442-K507 HydrophobicContact CG2-CD 4.15Å; L445-K507 HydrophobicContact CD2-CB 3.76Å; D503-K507 WeakPolarHBondContact O-CB 3.46Å; D503-K507 WeakPolarHBondContact O-CG 3.39Å; D503-K507 PolarHBondContact O-N 3.31Å; D503-K507 WeakPolarHBondContact OD1-CE 3.41Å; D503-K507 IonicContact OD1-NZ 3.3Å; D503-K507 PolarHBondContact OD1-NZ 3.21Å; D503-K507 IonicContact OD2-NZ 3.35Å; D503-K507 PolarHBondContact OD2-NZ 3Å; L504-K507 PolarHBondContact O-N 3.15Å; K507-A509 VanDerWaalsContact C-N 3.34Å; K507-A510 PolarHBondContact O-N 2.84Å; K507-F511 WeakPolarHBondContact O-CB 3.44Å; K507-F511 PolarHBondContact O-N 3.15Å
508C93.5Very high92Very high2 Ų257 Ų571%0.01431%0.31CS..Hα-helixtrans-60.5-44.5174.2-78.60000111.3L445 I484 L488 L504 R505 E506 F511 K512L445-C508 HydrophobicContact CD2-CB 4.48Å; L445-C508 VanDerWaalsContact CD2-SG 3.53Å; I484-C508 HydrophobicContact CG2-CB 3.82Å; L488-C508 HydrophobicContact CD1-CB 4.45Å; L488-C508 HydrophobicContact CD2-CB 4.21Å; L504-C508 WeakPolarHBondContact O-CB 3.19Å; L504-C508 PolarHBondContact O-N 3.37Å; L504-C508 PolarHBondContact O-SG 3.07Å; L504-C508 VanDerWaalsContact O-SG 3.35Å; R505-C508 PolarHBondContact O-N 3.16Å; E506-C508 PolarHBondContact O-N 3.27Å; C508-F511 PolarHBondContact O-N 3.11Å; C508-K512 WeakPolarHBondContact O-CB 3.5Å; C508-K512 VanDerWaalsContact O-CG 3.26Å; C508-K512 WeakPolarHBondContact O-CG 3.41Å; C508-K512 PolarHBondContact O-N 3.08Å
509A92.6Very high92Very high49 Ų4957.3 Ų57.341%0.40531%0.31SS..Hα-helixtrans-62.2-48.3177.400000111.6R505 E506 K507 F511 K512 D513R505-A509 PolarHBondContact O-N 3.05Å; E506-A509 PolarHBondContact O-N 3.43Å; K507-A509 VanDerWaalsContact C-N 3.34Å; A509-F511 VanDerWaalsContact C-N 3.34Å; A509-F511 PolarHBondContact O-N 3.16Å; A509-K512 PolarHBondContact O-N 2.85Å; A509-D513 PolarHBondContact O-N 3.04Å
510A93Very high92Very high57.5 Ų57.555 Ų5548%0.47529%0.292SS..Hα-helixtrans-60-41.6178.100000112.7E506 K507 D513 E514E506-A510 WeakPolarHBondContact O-CB 3.38Å; E506-A510 PolarHBondContact O-N 3.03Å; K507-A510 PolarHBondContact O-N 2.84Å; A510-D513 PolarHBondContact O-N 3.36Å; A510-E514 PolarHBondContact O-N 3.38Å; A510-E514 VanDerWaalsContact O-N 3.1Å
511F93.7Very high92Very high0.5 Ų0.558.7 Ų58.70%0.00231%0.305CS..Hα-helixtrans-70.1-37.6178.1-172.8-155.8000112.2L445 N448 Q449 F452 I484 K507 C508 A509 D513 E514 L515L445-F511 HydrophobicContact CD1-CD1 3.92Å; N448-F511 HydrophobicContact CB-CE1 4.27Å; Q449-F511 VanDerWaalsContact CA-CZ 3.48Å; Q449-F511 HydrophobicContact CB-CD1 4.09Å; Q449-F511 HydrophobicContact CB-CD2 4.15Å; Q449-F511 HydrophobicContact CB-CE1 3.98Å; Q449-F511 HydrophobicContact CB-CE2 4.04Å; Q449-F511 HydrophobicContact CB-CG 4.21Å; Q449-F511 HydrophobicContact CB-CZ 3.98Å; Q449-F511 HydrophobicContact CG-CD1 4.43Å; Q449-F511 HydrophobicContact CG-CD2 3.7Å; Q449-F511 HydrophobicContact CG-CE2 3.83Å; Q449-F511 HydrophobicContact CG-CG 4.08Å; Q449-F511 HydrophobicContact CG-CZ 4.3Å; F452-F511 HydrophobicContact CB-CE2 4.18Å; F452-F511 HydrophobicContact CB-CZ 3.97Å; F452-F511 AromaticContact CD1-CE2 3.85Å; F452-F511 HydrophobicContact CD1-CE2 3.85Å; F452-F511 HydrophobicContact CD1-CZ 4.47Å; F452-F511 HydrophobicContact CE1-CE2 4.42Å; F452-F511 HydrophobicContact CG-CE2 4.1Å; F452-F511 HydrophobicContact CG-CZ 4.28Å; I484-F511 HydrophobicContact CD1-CD1 3.28Å; I484-F511 HydrophobicContact CD1-CE1 3.48Å; I484-F511 VanDerWaalsContact CD1-CE1 3.42Å; I484-F511 HydrophobicContact CD1-CG 4.01Å; I484-F511 HydrophobicContact CD1-CZ 4.34Å; I484-F511 HydrophobicContact CG1-CD1 4.21Å; I484-F511 HydrophobicContact CG1-CE1 4.35Å; K507-F511 WeakPolarHBondContact O-CB 3.44Å; K507-F511 PolarHBondContact O-N 3.15Å; C508-F511 PolarHBondContact O-N 3.11Å; A509-F511 VanDerWaalsContact C-N 3.34Å; A509-F511 PolarHBondContact O-N 3.16Å; F511-D513 VanDerWaalsContact C-N 3.3Å; F511-D513 PolarHBondContact O-N 2.99Å; F511-E514 HydrophobicContact CD2-CB 4.42Å; F511-E514 WeakPolarHBondContact O-CB 3.47Å; F511-E514 PolarHBondContact O-N 3.15Å; F511-L515 HydrophobicContact CD2-CD1 4.35Å; F511-L515 HydrophobicContact CD2-CD2 4.44Å; F511-L515 HydrophobicContact CD2-CG 4.01Å; F511-L515 HydrophobicContact CE1-CD1 4.42Å; F511-L515 HydrophobicContact CE2-CD1 4.11Å; F511-L515 HydrophobicContact CE2-CD2 3.76Å; F511-L515 HydrophobicContact CE2-CG 3.72Å; F511-L515 HydrophobicContact CZ-CD1 4.15Å; F511-L515 HydrophobicContact CZ-CD2 4.09Å; F511-L515 HydrophobicContact CZ-CG 4.21Å; F511-L515 WeakPolarHBondContact O-CG 3.41Å; F511-L515 PolarHBondContact O-N 3.08Å
512K93.1Very high91.8Very high45.5 Ų45.559.3 Ų59.320%0.19831%0.309CS..Hα-helixtrans-60.2-40172.7-73.6177.7-168.3-173.90111.9E481 I484 S485 C508 A509 L515 K516E481-K512 HydrophobicContact CG-CB 4.35Å; E481-K512 HydrophobicContact CG-CD 4.42Å; E481-K512 HydrophobicContact CG-CG 4.07Å; I484-K512 HydrophobicContact CG2-CG 4.21Å; S485-K512 VanDerWaalsContact CA-NZ 3.32Å; S485-K512 WeakPolarHBondContact OG-CE 3.23Å; S485-K512 PolarHBondContact OG-NZ 3.03Å; C508-K512 WeakPolarHBondContact O-CB 3.5Å; C508-K512 VanDerWaalsContact O-CG 3.26Å; C508-K512 WeakPolarHBondContact O-CG 3.41Å; C508-K512 PolarHBondContact O-N 3.08Å; A509-K512 PolarHBondContact O-N 2.85Å; K512-L515 PolarHBondContact O-N 3Å; K512-K516 WeakPolarHBondContact O-CB 3.34Å; K512-K516 PolarHBondContact O-N 3.18Å
513D91.7Very high91.7Very high100 Ų10056.5 Ų56.554%0.53529%0.288SS..Hα-helixtrans-66.9-38.6176.6-74.4-22.7000112.3A509 A510 F511 K516 T517A509-D513 PolarHBondContact O-N 3.04Å; A510-D513 PolarHBondContact O-N 3.36Å; F511-D513 VanDerWaalsContact C-N 3.3Å; F511-D513 PolarHBondContact O-N 2.99Å; D513-K516 PolarHBondContact O-N 3.09Å; D513-T517 WeakPolarHBondContact O-CB 3.26Å; D513-T517 PolarHBondContact O-N 3.36Å; D513-T517 PolarHBondContact O-OG1 2.82Å
514E91.6Very high91.6Very high53.5 Ų53.558.3 Ų58.325%0.2529%0.294CS..Hα-helixtrans-61.3-46.6173.2-172.9178.8176.500111.5Q449 F452 R453 A510 F511 K516 T517 Y518Q449-E514 PolarHBondContact NE2-OE2 2.92Å; F452-E514 HydrophobicContact CE1-CG 4.03Å; R453-E514 IonicContact CZ-OE1 3.03Å; R453-E514 IonicContact CZ-OE2 3.43Å; R453-E514 IonicContact NE-OE1 3.34Å; R453-E514 PolarHBondContact NE-OE1 3.14Å; R453-E514 IonicContact NE-OE2 3.18Å; R453-E514 PolarHBondContact NE-OE2 2.88Å; R453-E514 IonicContact NH2-OE1 3.45Å; R453-E514 PolarHBondContact NH2-OE1 3.1Å; R453-E514 IonicContact NH2-OE2 2.82Å; R453-E514 PolarHBondContact NH2-OE2 3.08Å; A510-E514 PolarHBondContact O-N 3.38Å; A510-E514 VanDerWaalsContact O-N 3.1Å; F511-E514 HydrophobicContact CD2-CB 4.42Å; F511-E514 WeakPolarHBondContact O-CB 3.47Å; F511-E514 PolarHBondContact O-N 3.15Å; E514-K516 PolarHBondContact O-N 3.35Å; E514-T517 PolarHBondContact O-N 3.07Å; E514-Y518 PolarHBondContact O-N 3.08Å; E514-Y518 VanDerWaalsContact O-N 3.07Å
515L91.7Very high91.2Very high0 Ų065.7 Ų65.70%032%0.322CS..Hα-helixtrans-62.2-43.6177.2-70.1173.9000112.1F452 T477 E480 E481 I484 F511 K512 Y518 R519F452-L515 HydrophobicContact CD1-CD2 4.08Å; F452-L515 HydrophobicContact CD2-CD2 3.64Å; F452-L515 HydrophobicContact CE1-CD2 3.95Å; F452-L515 HydrophobicContact CE2-CD2 3.49Å; F452-L515 HydrophobicContact CG-CD2 3.94Å; F452-L515 HydrophobicContact CZ-CD2 3.66Å; T477-L515 HydrophobicContact CG2-CB 3.8Å; T477-L515 HydrophobicContact CG2-CD2 4.1Å; T477-L515 HydrophobicContact CG2-CG 4.41Å; T477-L515 WeakPolarHBondContact CG2-O 3.47Å; E480-L515 HydrophobicContact CB-CD1 3.97Å; E480-L515 HydrophobicContact CB-CD2 4.45Å; E481-L515 HydrophobicContact CB-CD1 4.17Å; I484-L515 HydrophobicContact CD1-CD1 3.58Å; F511-L515 HydrophobicContact CD2-CD1 4.35Å; F511-L515 HydrophobicContact CD2-CD2 4.44Å; F511-L515 HydrophobicContact CD2-CG 4.01Å; F511-L515 HydrophobicContact CE1-CD1 4.42Å; F511-L515 HydrophobicContact CE2-CD1 4.11Å; F511-L515 HydrophobicContact CE2-CD2 3.76Å; F511-L515 HydrophobicContact CE2-CG 3.72Å; F511-L515 HydrophobicContact CZ-CD1 4.15Å; F511-L515 HydrophobicContact CZ-CD2 4.09Å; F511-L515 HydrophobicContact CZ-CG 4.21Å; F511-L515 WeakPolarHBondContact O-CG 3.41Å; F511-L515 PolarHBondContact O-N 3.08Å; K512-L515 PolarHBondContact O-N 3Å; L515-Y518 PolarHBondContact O-N 3.49Å; L515-R519 VanDerWaalsContact O-CB 3.3Å; L515-R519 WeakPolarHBondContact O-CB 3.39Å; L515-R519 PolarHBondContact O-N 3.13Å; L515-R519 VanDerWaalsContact O-N 3.08Å
516K90.5Very high91.1Very high106.5 Ų106.559.3 Ų59.346%0.46330%0.298SS..Hα-helixtrans-61.8-46.9178.3-177-179.4175.7-1730111.3K512 D513 E514 Y518 R519 D520K512-K516 WeakPolarHBondContact O-CB 3.34Å; K512-K516 PolarHBondContact O-N 3.18Å; D513-K516 PolarHBondContact O-N 3.09Å; E514-K516 PolarHBondContact O-N 3.35Å; K516-Y518 PolarHBondContact O-N 3.41Å; K516-R519 WeakPolarHBondContact O-CB 3.27Å; K516-R519 PolarHBondContact O-N 3.16Å; K516-D520 VanDerWaalsContact O-CG 3.32Å; K516-D520 PolarHBondContact O-N 3.34Å; K516-D520 VanDerWaalsContact O-N 3.08Å
517T91Very high90.8Very high83.5 Ų83.552.9 Ų52.951%0.51227%0.268SS..Hα-helixtrans-59.9-48.6178.8-530000111.2D513 E514 R519 D520 D521D513-T517 WeakPolarHBondContact O-CB 3.26Å; D513-T517 PolarHBondContact O-N 3.36Å; D513-T517 PolarHBondContact O-OG1 2.82Å; E514-T517 PolarHBondContact O-N 3.07Å; T517-R519 VanDerWaalsContact C-N 3.31Å; T517-R519 PolarHBondContact O-N 3.03Å; T517-D520 PolarHBondContact O-N 3.06Å; T517-D521 PolarHBondContact O-N 3.03Å
518Y90.2Very high90.3Very high54 Ų5454 Ų5421%0.21228%0.275CS..Hα-helixtrans-59.5-40.5177.4176.1-95.5000113F452 T456 W459 T477 E514 L515 K516 T522F452-Y518 AromaticContact CE2-CD1 3.76Å; F452-Y518 HydrophobicContact CE2-CD1 4.1Å; F452-Y518 HydrophobicContact CE2-CE1 4.12Å; F452-Y518 HydrophobicContact CE2-CG 4.01Å; F452-Y518 AromaticContact CZ-CD1 3.85Å; F452-Y518 HydrophobicContact CZ-CD1 3.85Å; F452-Y518 HydrophobicContact CZ-CD2 4.16Å; F452-Y518 HydrophobicContact CZ-CE1 4.32Å; F452-Y518 AromaticContact CZ-CG 3.78Å; F452-Y518 HydrophobicContact CZ-CG 3.78Å; T456-Y518 WeakPolarHBondContact CB-OH 3.48Å; T456-Y518 HydrophobicContact CG2-CE1 3.87Å; T456-Y518 HydrophobicContact CG2-CE2 4.1Å; W459-Y518 HydrophobicContact CZ2-CE1 4.16Å; T477-Y518 HydrophobicContact CG2-CD1 3.76Å; T477-Y518 VanDerWaalsContact CG2-CD1 3.47Å; T477-Y518 HydrophobicContact CG2-CE1 3.68Å; E514-Y518 PolarHBondContact O-N 3.08Å; E514-Y518 VanDerWaalsContact O-N 3.07Å; L515-Y518 PolarHBondContact O-N 3.49Å; K516-Y518 PolarHBondContact O-N 3.41Å; Y518-T522 WeakPolarHBondContact O-CB 3.3Å; Y518-T522 PolarHBondContact O-N 2.9Å; Y518-T522 PolarHBondContact O-OG1 3.45Å
519R90.3Very high89.6Confident20 Ų2056.6 Ų56.68%0.07529%0.288CS..Hα-helixtrans-64.2-44.6179.4-166.8-179.653.4-130.1-4.2111.2I474 T477 K478 E481 L515 K516 T517 T522 F523 Y600I474-R519 HydrophobicContact CB-CG 4.08Å; I474-R519 HydrophobicContact CG1-CG 4.09Å; I474-R519 HydrophobicContact CG2-CG 3.64Å; I474-R519 WeakPolarHBondContact O-CD 3.45Å; T477-R519 HydrophobicContact CG2-CB 4.1Å; T477-R519 WeakPolarHBondContact OG1-CG 3.43Å; K478-R519 VanDerWaalsContact CD-NH1 3.35Å; E481-R519 IonicContact OE2-CZ 3.61Å; E481-R519 IonicContact OE2-NH1 3.4Å; E481-R519 PolarHBondContact OE2-NH1 3.24Å; E481-R519 IonicContact OE2-NH2 2.82Å; E481-R519 PolarHBondContact OE2-NH2 3.14Å; L515-R519 VanDerWaalsContact O-CB 3.3Å; L515-R519 WeakPolarHBondContact O-CB 3.39Å; L515-R519 PolarHBondContact O-N 3.13Å; L515-R519 VanDerWaalsContact O-N 3.08Å; K516-R519 WeakPolarHBondContact O-CB 3.27Å; K516-R519 PolarHBondContact O-N 3.16Å; T517-R519 VanDerWaalsContact C-N 3.31Å; T517-R519 PolarHBondContact O-N 3.03Å; R519-T522 PolarHBondContact O-N 3.06Å; R519-F523 WeakPolarHBondContact O-CB 3.24Å; R519-F523 PolarHBondContact O-N 3.28Å; R519-Y600 WeakPolarHBondContact CD-OH 3.41Å; R519-Y600 HydrophobicContact CG-CE2 4.39Å; R519-Y600 WeakPolarHBondContact CG-OH 3.32Å; R519-Y600 PolarHBondContact NE-OH 2.76Å
520D89.2Confident88.9Confident61 Ų6154.7 Ų54.733%0.32627%0.272SS..Hα-helixtrans-67.1-40.2-179.3-67.4-17.4000111.4K516 T517 F523 Q524 Y600K516-D520 VanDerWaalsContact O-CG 3.32Å; K516-D520 PolarHBondContact O-N 3.34Å; K516-D520 VanDerWaalsContact O-N 3.08Å; T517-D520 PolarHBondContact O-N 3.06Å; D520-F523 WeakPolarHBondContact O-CB 3.44Å; D520-F523 PolarHBondContact O-N 3.43Å; D520-Q524 VanDerWaalsContact O-CG 3.31Å; D520-Q524 WeakPolarHBondContact O-CG 3.22Å; D520-Q524 PolarHBondContact O-N 3.24Å; D520-Y600 WeakPolarHBondContact OD1-CE1 3.37Å; D520-Y600 PolarHBondContact OD1-OH 3.12Å
521D89.9Confident88.2Confident105.5 Ų105.554.5 Ų54.556%0.56426%0.262SS*.Hα-helixtrans-63.7-43.9174.2-73.4-18.4000112.5T517 F523 Q524 R525T517-D521 PolarHBondContact O-N 3.03Å; D521-F523 VanDerWaalsContact C-N 3.3Å; D521-F523 PolarHBondContact O-N 3.25Å; D521-Q524 PolarHBondContact O-N 3.39Å; D521-R525 PolarHBondContact O-N 3.23Å
522T88.4Confident87.1Confident21 Ų2161.3 Ų61.313%0.12929%0.287CS..Hα-helixtrans-62.4-40.8178-57.50000110.8A470 L473 I474 Y518 R519 R525 W526A470-T522 HydrophobicContact CB-CG2 4.1Å; L473-T522 HydrophobicContact CB-CG2 4.38Å; I474-T522 HydrophobicContact CD1-CG2 4.16Å; I474-T522 HydrophobicContact CG1-CG2 3.88Å; Y518-T522 WeakPolarHBondContact O-CB 3.3Å; Y518-T522 PolarHBondContact O-N 2.9Å; Y518-T522 PolarHBondContact O-OG1 3.45Å; R519-T522 PolarHBondContact O-N 3.06Å; T522-R525 PolarHBondContact O-N 3.19Å; T522-W526 WeakPolarHBondContact O-CB 2.76Å; T522-W526 PolarHBondContact O-N 3.2Å
523F91.1Very high85.9Confident12 Ų1261.3 Ų61.35%0.05330%0.296CS..Hα-helixtrans-64-45.7176.2174.8-106.8000112.5I474 R519 D520 D521 R525 W526 C527 L595 Y600 M602I474-F523 HydrophobicContact CD1-CB 3.82Å; I474-F523 HydrophobicContact CD1-CD2 4.29Å; R519-F523 WeakPolarHBondContact O-CB 3.24Å; R519-F523 PolarHBondContact O-N 3.28Å; D520-F523 WeakPolarHBondContact O-CB 3.44Å; D520-F523 PolarHBondContact O-N 3.43Å; D521-F523 VanDerWaalsContact C-N 3.3Å; D521-F523 PolarHBondContact O-N 3.25Å; F523-R525 VanDerWaalsContact C-N 3.3Å; F523-R525 PolarHBondContact O-N 3.23Å; F523-W526 HydrophobicContact CD2-CE3 4.34Å; F523-W526 HydrophobicContact CE2-CE3 4.08Å; F523-W526 HydrophobicContact CE2-CZ3 4.21Å; F523-W526 PolarHBondContact O-N 2.91Å; F523-C527 WeakPolarHBondContact CE2-SG 3.11Å; F523-C527 VanDerWaalsContact CZ-SG 3.57Å; F523-C527 WeakPolarHBondContact CZ-SG 3.38Å; F523-C527 PolarHBondContact O-N 3.05Å; F523-C527 PolarHBondContact O-SG 3.25Å; F523-C527 VanDerWaalsContact O-SG 3.34Å; F523-L595 HydrophobicContact CD2-CD1 4.28Å; F523-L595 HydrophobicContact CD2-CD2 4.17Å; F523-L595 HydrophobicContact CE2-CB 4.48Å; F523-L595 HydrophobicContact CE2-CD1 4.14Å; F523-L595 HydrophobicContact CE2-CD2 4.42Å; F523-Y600 HydrophobicContact CB-CD1 4.2Å; F523-Y600 HydrophobicContact CB-CE1 3.91Å; F523-Y600 AromaticContact CD1-CD1 3.41Å; F523-Y600 HydrophobicContact CD1-CD1 3.41Å; F523-Y600 VanDerWaalsContact CD1-CD1 3.48Å; F523-Y600 AromaticContact CD1-CE1 3.77Å; F523-Y600 HydrophobicContact CD1-CE1 3.77Å; F523-Y600 HydrophobicContact CD1-CG 4.31Å; F523-Y600 AromaticContact CD2-CD1 3.5Å; F523-Y600 HydrophobicContact CD2-CD1 3.79Å; F523-Y600 VanDerWaalsContact CD2-CD1 3.5Å; F523-Y600 HydrophobicContact CD2-CD2 4.29Å; F523-Y600 AromaticContact CD2-CE1 3.98Å; F523-Y600 HydrophobicContact CD2-CE1 3.98Å; F523-Y600 AromaticContact CD2-CG 3.69Å; F523-Y600 HydrophobicContact CD2-CG 3.93Å; F523-Y600 AromaticContact CE1-CD1 3.64Å; F523-Y600 HydrophobicContact CE1-CD1 3.64Å; F523-Y600 HydrophobicContact CE1-CE1 4.34Å; F523-Y600 HydrophobicContact CE1-CG 4.35Å; F523-Y600 VanDerWaalsContact CE2-CB 3.47Å; F523-Y600 AromaticContact CE2-CD1 3.59Å; F523-Y600 HydrophobicContact CE2-CD1 3.99Å; F523-Y600 HydrophobicContact CE2-CD2 4.46Å; F523-Y600 HydrophobicContact CE2-CE1 4.49Å; F523-Y600 AromaticContact CE2-CG 3.58Å; F523-Y600 HydrophobicContact CE2-CG 3.96Å; F523-Y600 AromaticContact CG-CD1 3.49Å; F523-Y600 HydrophobicContact CG-CD1 3.49Å; F523-Y600 VanDerWaalsContact CG-CD1 3.41Å; F523-Y600 AromaticContact CG-CE1 3.71Å; F523-Y600 HydrophobicContact CG-CE1 3.71Å; F523-Y600 HydrophobicContact CG-CG 4.11Å; F523-Y600 AromaticContact CZ-CD1 3.66Å; F523-Y600 HydrophobicContact CZ-CD1 3.93Å; F523-Y600 AromaticContact CZ-CG 3.96Å; F523-Y600 HydrophobicContact CZ-CG 4.18Å; F523-M602 HydrophobicContact CD2-CE 4.4Å; F523-M602 HydrophobicContact CE1-CE 4.47Å; F523-M602 HydrophobicContact CE2-CE 3.17Å; F523-M602 HydrophobicContact CE2-SD 3.92Å; F523-M602 HydrophobicContact CZ-CE 3.26Å; F523-M602 HydrophobicContact CZ-SD 4.14Å
524Q90.1Very high84.6Confident106.5 Ų106.558.4 Ų58.450%0.49828%0.279SS..Hα-helixtrans-61.3-41.4177.1-71.4-61.7-23.800111.5D520 D521 C527 Q528D520-Q524 VanDerWaalsContact O-CG 3.31Å; D520-Q524 WeakPolarHBondContact O-CG 3.22Å; D520-Q524 PolarHBondContact O-N 3.24Å; D521-Q524 PolarHBondContact O-N 3.39Å; Q524-C527 WeakPolarHBondContact O-CB 3.08Å; Q524-C527 PolarHBondContact O-N 2.9Å; Q524-Q528 WeakPolarHBondContact O-CG 3.37Å; Q524-Q528 PolarHBondContact O-N 3.34Å; Q524-Q528 VanDerWaalsContact O-N 3.09Å
525R85.8Confident83.1Confident156 Ų15659.5 Ų59.559%0.58929%0.287SS*.Hα-helixtrans-64.6-44.7177-171.9160.9-174.7104.2-0112.4D521 T522 F523 C527 Q528 D529D521-R525 PolarHBondContact O-N 3.23Å; T522-R525 PolarHBondContact O-N 3.19Å; F523-R525 VanDerWaalsContact C-N 3.3Å; F523-R525 PolarHBondContact O-N 3.23Å; R525-C527 VanDerWaalsContact C-N 3.3Å; R525-C527 PolarHBondContact O-N 3.26Å; R525-Q528 PolarHBondContact O-N 3.29Å; R525-Q528 VanDerWaalsContact O-N 3.16Å; R525-D529 IonicContact NE-OD2 3.25Å; R525-D529 PolarHBondContact O-N 2.96Å
526W89.3Confident81.2Confident10 Ų1064.4 Ų64.44%0.03831%0.313CS..Hα-helixtrans-58.9-41174.8175.787000112.2S468 A470 T522 F523 Q528 D529 T530 L588 D591 V592 L595 M602 I606S468-W526 PolarHBondContact OG-NE1 3.3Å; A470-W526 HydrophobicContact CB-CB 3.89Å; A470-W526 HydrophobicContact CB-CG 4.15Å; T522-W526 WeakPolarHBondContact O-CB 2.76Å; T522-W526 PolarHBondContact O-N 3.2Å; F523-W526 HydrophobicContact CD2-CE3 4.34Å; F523-W526 HydrophobicContact CE2-CE3 4.08Å; F523-W526 HydrophobicContact CE2-CZ3 4.21Å; F523-W526 PolarHBondContact O-N 2.91Å; W526-Q528 VanDerWaalsContact C-N 3.34Å; W526-Q528 PolarHBondContact O-N 2.81Å; W526-D529 PolarHBondContact O-N 2.97Å; W526-T530 VanDerWaalsContact CE2-OG1 3.31Å; W526-T530 HydrophobicContact CZ2-CG2 4.44Å; W526-T530 PolarHBondContact NE1-OG1 2.84Å; W526-T530 VanDerWaalsContact O-CB 3.28Å; W526-T530 WeakPolarHBondContact O-CB 3.41Å; W526-T530 PolarHBondContact O-N 3.18Å; W526-T530 PolarHBondContact O-OG1 3.45Å; W526-L588 HydrophobicContact CH2-CD1 4.49Å; W526-L588 HydrophobicContact CZ2-CD1 4.15Å; W526-D591 HydrophobicContact CZ2-CB 3.75Å; W526-V592 HydrophobicContact CH2-CG2 4Å; W526-L595 HydrophobicContact CD2-CD1 3.88Å; W526-L595 HydrophobicContact CE3-CD1 3.58Å; W526-L595 HydrophobicContact CH2-CD1 3.61Å; W526-L595 HydrophobicContact CZ2-CD1 3.88Å; W526-L595 HydrophobicContact CZ3-CD1 3.45Å; W526-L595 VanDerWaalsContact CZ3-CD1 3.45Å; W526-M602 HydrophobicContact CH2-SD 4.14Å; W526-M602 HydrophobicContact CZ3-CE 3.82Å; W526-M602 HydrophobicContact CZ3-SD 3.79Å; W526-I606 HydrophobicContact CH2-CD1 4.49Å; W526-I606 HydrophobicContact CH2-CG2 3.93Å; W526-I606 HydrophobicContact CZ3-CD1 4.13Å; W526-I606 HydrophobicContact CZ3-CG2 4.44Å
527C86.9Confident79.1Confident4 Ų463.4 Ų63.43%0.02732%0.32CS..Hα-helixtrans-60.4-46.1175.7-70.80000111.5F523 Q524 R525 M531 P603 I606F523-C527 WeakPolarHBondContact CE2-SG 3.11Å; F523-C527 VanDerWaalsContact CZ-SG 3.57Å; F523-C527 WeakPolarHBondContact CZ-SG 3.38Å; F523-C527 PolarHBondContact O-N 3.05Å; F523-C527 PolarHBondContact O-SG 3.25Å; F523-C527 VanDerWaalsContact O-SG 3.34Å; Q524-C527 WeakPolarHBondContact O-CB 3.08Å; Q524-C527 PolarHBondContact O-N 2.9Å; R525-C527 VanDerWaalsContact C-N 3.3Å; R525-C527 PolarHBondContact O-N 3.26Å; C527-M531 HydrophobicContact CB-CE 4.24Å; C527-M531 WeakPolarHBondContact O-CB 3.39Å; C527-M531 VanDerWaalsContact O-CE 3.24Å; C527-M531 WeakPolarHBondContact O-CE 3.23Å; C527-M531 VanDerWaalsContact O-CG 3.3Å; C527-M531 WeakPolarHBondContact O-CG 3.32Å; C527-M531 PolarHBondContact O-N 3.13Å; C527-P603 HydrophobicContact CB-CG 4.41Å; C527-I606 HydrophobicContact CB-CD1 4.35Å
528Q82.9Confident76.8Confident86.5 Ų86.568.6 Ų68.640%0.40434%0.335SS..Hα-helixtrans-63.8-45.8178.8-69.3173.92200112Q524 R525 W526 M531 R532Q524-Q528 WeakPolarHBondContact O-CG 3.37Å; Q524-Q528 PolarHBondContact O-N 3.34Å; Q524-Q528 VanDerWaalsContact O-N 3.09Å; R525-Q528 PolarHBondContact O-N 3.29Å; R525-Q528 VanDerWaalsContact O-N 3.16Å; W526-Q528 VanDerWaalsContact C-N 3.34Å; W526-Q528 PolarHBondContact O-N 2.81Å; Q528-M531 PolarHBondContact O-N 3.08Å; Q528-R532 WeakPolarHBondContact O-CB 3.48Å; Q528-R532 VanDerWaalsContact O-CG 3.3Å; Q528-R532 WeakPolarHBondContact O-CG 3.48Å; Q528-R532 PolarHBondContact O-N 3.23Å
529D78Confident74.4Confident55.5 Ų55.572.4 Ų72.430%0.29736%0.359SS..Hα-helixtrans-67.9-38.7-179-69.1-20.8000111.5R525 W526 R532 A533R525-D529 IonicContact NE-OD2 3.25Å; R525-D529 PolarHBondContact O-N 2.96Å; W526-D529 PolarHBondContact O-N 2.97Å; D529-R532 PolarHBondContact O-N 3.39Å; D529-R532 IonicContact OD1-NH1 3.16Å; D529-R532 PolarHBondContact OD1-NH1 3.27Å; D529-A533 WeakPolarHBondContact O-CB 3.31Å; D529-A533 PolarHBondContact O-N 3.19Å; D529-A533 VanDerWaalsContact O-N 3.13Å
530T78Confident72.2Confident10.5 Ų10.574 Ų746%0.06437%0.372CS..Hα-helixtrans-66.5-39.2175.1-560000111.7W526 A533 M534 L588 I606W526-T530 VanDerWaalsContact CE2-OG1 3.31Å; W526-T530 HydrophobicContact CZ2-CG2 4.44Å; W526-T530 PolarHBondContact NE1-OG1 2.84Å; W526-T530 VanDerWaalsContact O-CB 3.28Å; W526-T530 WeakPolarHBondContact O-CB 3.41Å; W526-T530 PolarHBondContact O-N 3.18Å; W526-T530 PolarHBondContact O-OG1 3.45Å; T530-A533 PolarHBondContact O-N 3.47Å; T530-M534 HydrophobicContact CG2-CE 4.43Å; T530-M534 WeakPolarHBondContact O-CG 3.25Å; T530-M534 PolarHBondContact O-N 2.98Å; T530-L588 HydrophobicContact CG2-CD1 3.61Å; T530-I606 HydrophobicContact CG2-CD1 4.03Å; T530-I606 HydrophobicContact CG2-CG1 4.06Å; T530-I606 HydrophobicContact CG2-CG2 4.24Å
531M78.5Confident69.6Low52.5 Ų52.577 Ų7726%0.25939%0.387SS..Hα-helixtrans-67.6-43.6174.9-75.4-174.3-74.900112.5C527 Q528 A533 M534 D535 P603 I606C527-M531 HydrophobicContact CB-CE 4.24Å; C527-M531 WeakPolarHBondContact O-CB 3.39Å; C527-M531 VanDerWaalsContact O-CE 3.24Å; C527-M531 WeakPolarHBondContact O-CE 3.23Å; C527-M531 VanDerWaalsContact O-CG 3.3Å; C527-M531 WeakPolarHBondContact O-CG 3.32Å; C527-M531 PolarHBondContact O-N 3.13Å; Q528-M531 PolarHBondContact O-N 3.08Å; M531-A533 PolarHBondContact O-N 3.34Å; M531-M534 HydrophobicContact CB-CE 4.38Å; M531-M534 HydrophobicContact CG-CE 3.9Å; M531-M534 WeakPolarHBondContact O-CB 3.34Å; M531-M534 PolarHBondContact O-N 3.07Å; M531-M534 VanDerWaalsContact O-N 3.07Å; M531-D535 WeakPolarHBondContact O-CB 3.21Å; M531-D535 VanDerWaalsContact O-CG 3.28Å; M531-D535 PolarHBondContact O-N 3.1Å; M531-P603 HydrophobicContact SD-CB 4.43Å; M531-I606 HydrophobicContact CG-CD1 4.1Å; M531-I606 HydrophobicContact CG-CG1 4.12Å
532R71.2Confident67.4Low144 Ų14480.7 Ų80.754%0.54340%0.399SS..Hα-helixtrans-57.9-44.5174.6-75.9173.8-179.4161.4-0.2111.6Q528 D529 M534 D535 D536Q528-R532 WeakPolarHBondContact O-CB 3.48Å; Q528-R532 VanDerWaalsContact O-CG 3.3Å; Q528-R532 WeakPolarHBondContact O-CG 3.48Å; Q528-R532 PolarHBondContact O-N 3.23Å; D529-R532 PolarHBondContact O-N 3.39Å; D529-R532 IonicContact OD1-NH1 3.16Å; D529-R532 PolarHBondContact OD1-NH1 3.27Å; R532-M534 PolarHBondContact O-N 3.07Å; R532-D535 CarbonylContact O-C 3.57Å; R532-D535 WeakPolarHBondContact O-CA 3.4Å; R532-D535 PolarHBondContact O-N 2.89Å; R532-D536 WeakPolarHBondContact O-CB 3.35Å; R532-D536 PolarHBondContact O-N 3.32Å
533A66.9Low64.8Low44.5 Ų44.583.6 Ų83.637%0.36841%0.412SS..Hα-helixtrans-60.7-38.1176.900000112.5D529 T530 M531 D535 D536 Q555 V556D529-A533 WeakPolarHBondContact O-CB 3.31Å; D529-A533 PolarHBondContact O-N 3.19Å; D529-A533 VanDerWaalsContact O-N 3.13Å; T530-A533 PolarHBondContact O-N 3.47Å; M531-A533 PolarHBondContact O-N 3.34Å; A533-D535 PolarHBondContact O-N 2.78Å; A533-D536 PolarHBondContact O-N 3.05Å; A533-Q555 HydrophobicContact CB-CB 4.11Å; A533-Q555 WeakPolarHBondContact CB-O 3.42Å; A533-V556 CarbonylContact C-O 3.05Å; A533-V556 HydrophobicContact CB-CB 3.58Å; A533-V556 HydrophobicContact CB-CG2 4.15Å
534M65.8Low62.1Low40 Ų4089 Ų8920%0.19744%0.441CS..Hα-helixtrans-67.6-27173.8-70.4-173.5-69.200113.7T530 M531 R532 F554 V556 R605 I606 C609T530-M534 HydrophobicContact CG2-CE 4.43Å; T530-M534 WeakPolarHBondContact O-CG 3.25Å; T530-M534 PolarHBondContact O-N 2.98Å; M531-M534 HydrophobicContact CB-CE 4.38Å; M531-M534 HydrophobicContact CG-CE 3.9Å; M531-M534 WeakPolarHBondContact O-CB 3.34Å; M531-M534 PolarHBondContact O-N 3.07Å; M531-M534 VanDerWaalsContact O-N 3.07Å; R532-M534 PolarHBondContact O-N 3.07Å; M534-F554 WeakPolarHBondContact O-CZ 3.45Å; M534-V556 HydrophobicContact CG-CG1 4.11Å; M534-R605 HydrophobicContact CE-CB 4.37Å; M534-I606 HydrophobicContact CE-CB 4.34Å; M534-I606 HydrophobicContact CE-CG1 3.47Å; M534-I606 VanDerWaalsContact CE-CG1 3.47Å; M534-C609 HydrophobicContact SD-CB 3.84Å
535D60.5Low59.4Low77 Ų7793.9 Ų93.941%0.41246%0.455SS..Hα-helixtrans-90.6-20.5-175.6-70.1-28.3000113.7M531 R532 A533 S537 R605M531-D535 WeakPolarHBondContact O-CB 3.21Å; M531-D535 VanDerWaalsContact O-CG 3.28Å; M531-D535 PolarHBondContact O-N 3.1Å; R532-D535 CarbonylContact O-C 3.57Å; R532-D535 WeakPolarHBondContact O-CA 3.4Å; R532-D535 PolarHBondContact O-N 2.89Å; A533-D535 PolarHBondContact O-N 2.78Å; D535-S537 PolarHBondContact O-N 3.14Å; D535-R605 IonicContact OD1-CZ 3.24Å; D535-R605 VanDerWaalsContact OD1-CZ 3.28Å; D535-R605 IonicContact OD1-NH1 3.25Å; D535-R605 PolarHBondContact OD1-NH1 3.48Å; D535-R605 IonicContact OD1-NH2 2.8Å; D535-R605 PolarHBondContact OD1-NH2 2.93Å; D535-R605 IonicContact OD2-CZ 3.1Å; D535-R605 IonicContact OD2-NH1 3.07Å; D535-R605 PolarHBondContact OD2-NH1 3.15Å; D535-R605 IonicContact OD2-NH2 2.78Å
536D51.1Low56.8Low102 Ų10295 Ų9555%0.54547%0.465SS..  trans-74.576.1-175.8-112.2-15.9000112.8R532 A533 K538R532-D536 WeakPolarHBondContact O-CB 3.35Å; R532-D536 PolarHBondContact O-N 3.32Å; A533-D536 PolarHBondContact O-N 3.05Å; D536-K538 PolarHBondContact O-N 3.22Å; D536-K538 VanDerWaalsContact O-N 3.1Å
537S46.7Very low54.3Low86 Ų8698.5 Ų98.560%0.60150%0.495SS*.THydrogen-bonded Turntrans-74.1-6.7179.5176.70000114.7D535 N539 P540D535-S537 PolarHBondContact O-N 3.14Å; S537-N539 PolarHBondContact O-N 3.08Å; S537-P540 WeakPolarHBondContact O-CD 3.41Å; S537-P540 WeakPolarHBondContact O-CG 3.33Å
538K41.9Very low51.8Low192.5 Ų192.5104.3 Ų104.384%0.83753%0.53SS*.THydrogen-bonded Turntrans-87.6-4.3-168.3-81.4-173178.6179.20116.5D536 P540D536-K538 PolarHBondContact O-N 3.22Å; D536-K538 VanDerWaalsContact O-N 3.1Å; K538-P540 VanDerWaalsContact C-CD 3.48Å
539N40.2Very low49.5Very low134 Ų134106.9 Ų106.972%0.71755%0.547SS*.  trans-148.368.6166.9-92.9-37.1000114.5S537 L541S537-N539 PolarHBondContact O-N 3.08Å; N539-L541 VanDerWaalsContact C-N 3.31Å; N539-L541 PolarHBondContact O-N 2.92Å
540P43Very low47.4Very low52.5 Ų52.5110.9 Ų110.934%0.34157%0.568SS.*Hα-helixtrans-75.7-16.8179.8-10.727.4000113.9S537 K538 K542 L543 L544 L561S537-P540 WeakPolarHBondContact O-CD 3.41Å; S537-P540 WeakPolarHBondContact O-CG 3.33Å; K538-P540 VanDerWaalsContact C-CD 3.48Å; P540-K542 VanDerWaalsContact C-N 3.3Å; P540-K542 PolarHBondContact O-N 3.12Å; P540-K542 VanDerWaalsContact O-N 3.15Å; P540-L543 CarbonylContact O-C 3.49Å; P540-L543 WeakPolarHBondContact O-CA 3.49Å; P540-L543 PolarHBondContact O-N 2.96Å; P540-L544 PolarHBondContact O-N 3.33Å; P540-L561 HydrophobicContact CB-CD1 3.47Å; P540-L561 VanDerWaalsContact CB-CD1 3.47Å; P540-L561 HydrophobicContact CB-CG 4.29Å; P540-L561 HydrophobicContact CG-CD1 4.28Å
541L35.1Very low45.4Very low123.5 Ų123.5120.7 Ų120.765%0.64761%0.609SS**Hα-helixtrans-79.3-4.6-169.7-83.8163.7000115.4N539 L543 L544 R545N539-L541 VanDerWaalsContact C-N 3.31Å; N539-L541 PolarHBondContact O-N 2.92Å; L541-L543 VanDerWaalsContact C-N 3.35Å; L541-L544 HydrophobicContact CD2-CD2 4.08Å; L541-R545 HydrophobicContact CD2-CB 3.99Å
542K43.4Very low43Very low185 Ų185128.3 Ų128.380%0.80464%0.635SS**THydrogen-bonded Turntrans-87.3-14.2161.4-104.1-175.6178.5178.80112.8P540 K546P540-K542 VanDerWaalsContact C-N 3.3Å; P540-K542 PolarHBondContact O-N 3.12Å; P540-K542 VanDerWaalsContact O-N 3.15Å; K542-K546 PolarHBondContact O-N 2.89Å
543L35.3Very low41.2Very low80.5 Ų80.5128.4 Ų128.442%0.42165%0.646SS.*Hα-helixtrans-103.819173.7-79169.5000110.4P540 L541 R545 K546 A547 L561P540-L543 CarbonylContact O-C 3.49Å; P540-L543 WeakPolarHBondContact O-CA 3.49Å; P540-L543 PolarHBondContact O-N 2.96Å; L541-L543 VanDerWaalsContact C-N 3.35Å; L543-R545 PolarHBondContact O-N 3.14Å; L543-K546 PolarHBondContact O-N 2.9Å; L543-A547 VanDerWaalsContact O-CB 3.22Å; L543-A547 WeakPolarHBondContact O-CB 3.44Å; L543-A547 PolarHBondContact O-N 3.11Å; L543-L561 HydrophobicContact CB-CD1 3.88Å; L543-L561 HydrophobicContact CB-CD2 3.65Å; L543-L561 HydrophobicContact CB-CG 4.41Å; L543-L561 HydrophobicContact CD1-CD1 4.09Å; L543-L561 HydrophobicContact CD1-CD2 3.98Å; L543-L561 HydrophobicContact CD1-CG 4.43Å; L543-L561 HydrophobicContact CD2-CD2 3.74Å; L543-L561 HydrophobicContact CG-CD2 3.95Å
544L34.1Very low39.7Very low126.5 Ų126.5132.2 Ų132.266%0.66266%0.655SS**Hα-helixtrans-53.133.6-178.6-84.3156.4000114.4P540 L541 K546 L561P540-L544 PolarHBondContact O-N 3.33Å; L541-L544 HydrophobicContact CD2-CD2 4.08Å; L544-K546 PolarHBondContact O-N 3.25Å; L544-L561 HydrophobicContact CD1-CD1 4.48Å
545R33Very low38.4Very low208.5 Ų208.5136 Ų13679%0.78767%0.672SS**Hα-helixtrans-23.924.6147.4-153.8177.2-170.2-177.93.4116.1L541 L543L541-R545 HydrophobicContact CD2-CB 3.99Å; L543-R545 PolarHBondContact O-N 3.14Å
546K32.1Very low37.5Very low180.5 Ų180.5134.5 Ų134.579%0.78567%0.665SS**Hα-helixtrans-118.45.8158.2-104.7-175.8179.7-175.40114.4K542 L543 L544 V548 D549 L550K542-K546 PolarHBondContact O-N 2.89Å; L543-K546 PolarHBondContact O-N 2.9Å; L544-K546 PolarHBondContact O-N 3.25Å; K546-V548 VanDerWaalsContact C-N 3.31Å; K546-V548 PolarHBondContact O-N 3.2Å; K546-D549 PolarHBondContact O-N 3.13Å; K546-L550 PolarHBondContact O-N 3.44Å
547A35.3Very low37Very low83 Ų83131.7 Ų131.769%0.68666%0.656SS**Hα-helixtrans-99.527175.600000111.7L543 D549L543-A547 VanDerWaalsContact O-CB 3.22Å; L543-A547 WeakPolarHBondContact O-CB 3.44Å; L543-A547 PolarHBondContact O-N 3.11Å; A547-D549 VanDerWaalsContact C-N 3.27Å; A547-D549 PolarHBondContact O-N 3.32Å
548V35.1Very low36.9Very low125 Ų125130.5 Ų130.576%0.75865%0.648SS**THydrogen-bonded Turntrans-77.454.4167.4176.50000108.5K546K546-V548 VanDerWaalsContact C-N 3.31Å; K546-V548 PolarHBondContact O-N 3.2Å
549D35.2Very low37Very low141.5 Ų141.5126.9 Ų126.976%0.75763%0.63SS**THydrogen-bonded Turntrans-174.78.1179.1-61.9-27000117K546 A547K546-D549 PolarHBondContact O-N 3.13Å; A547-D549 VanDerWaalsContact C-N 3.27Å; A547-D549 PolarHBondContact O-N 3.32Å
550L33.2Very low37.3Very low139 Ų139123.6 Ų123.673%0.72862%0.617SS**  trans-131.394.9167.3-88.3120.8000111.7K546 R552K546-L550 PolarHBondContact O-N 3.44Å; L550-R552 PolarHBondContact O-N 3.1Å
551K35.7Very low37.4Very low216.5 Ų216.5124 Ų12494%0.94162%0.616SS**  trans-70.126.1174.5-121.8179.3-178.2176.70114.5
552R28.8Very low38.1Very low213 Ų213119.6 Ų119.680%0.80459%0.594SS**SBendtrans-123.7119.4174.9-85.5-177.6170.1150.6-2.9110.2L550 F554L550-R552 PolarHBondContact O-N 3.1Å; R552-F554 PolarHBondContact O-N 2.95Å; R552-F554 VanDerWaalsContact O-N 3.13Å
553N33.5Very low38.4Very low145 Ų145115.2 Ų115.278%0.77558%0.575SS**  trans41.683.5167.2-56.8-13.4000115.3Q555 V556N553-Q555 PolarHBondContact O-N 3.05Å; N553-Q555 VanDerWaalsContact O-N 3.12Å; N553-V556 PolarHBondContact O-N 3.4Å
554F34.3Very low39Very low124.5 Ų124.5116 Ų11655%0.54659%0.588SS.*G310 helixtrans-90.942.9168.5-158.7-101000111.4M534 R552 V556 A557M534-F554 WeakPolarHBondContact O-CZ 3.45Å; R552-F554 PolarHBondContact O-N 2.95Å; R552-F554 VanDerWaalsContact O-N 3.13Å; F554-V556 PolarHBondContact O-N 3.13Å; F554-A557 PolarHBondContact O-N 2.88Å
555Q39.2Very low40Very low120.5 Ų120.5112.1 Ų112.156%0.56357%0.57SS**  trans-65.565.3-179.8-130158.3-24.100112.2A533 N553A533-Q555 HydrophobicContact CB-CB 4.11Å; A533-Q555 WeakPolarHBondContact CB-O 3.42Å; N553-Q555 PolarHBondContact O-N 3.05Å; N553-Q555 VanDerWaalsContact O-N 3.12Å
556V41.6Very low41.4Very low44 Ų44109 Ų10927%0.26756%0.558SS.*  trans-29.633.6170-167.60000116.3A533 M534 N553 F554 C558 Y559 S560A533-V556 CarbonylContact C-O 3.05Å; A533-V556 HydrophobicContact CB-CB 3.58Å; A533-V556 HydrophobicContact CB-CG2 4.15Å; M534-V556 HydrophobicContact CG-CG1 4.11Å; N553-V556 PolarHBondContact O-N 3.4Å; F554-V556 PolarHBondContact O-N 3.13Å; V556-C558 PolarHBondContact O-N 3.32Å; V556-Y559 HydrophobicContact CG1-CD1 4.12Å; V556-Y559 CarbonylContact O-C 3.57Å; V556-Y559 WeakPolarHBondContact O-CA 3.48Å; V556-Y559 VanDerWaalsContact O-CB 3.3Å; V556-Y559 WeakPolarHBondContact O-CB 3.24Å; V556-Y559 PolarHBondContact O-N 2.96Å; V556-S560 PolarHBondContact O-N 3.19Å
557A40.1Very low43.1Very low43.5 Ų43.5100.5 Ų100.536%0.3652%0.522SS..  trans-94.913.817500000112.6F554 Y559F554-A557 PolarHBondContact O-N 2.88Å; A557-Y559 VanDerWaalsContact C-N 3.32Å
558C45.4Very low44.8Very low61.5 Ų61.597.3 Ų97.342%0.41649%0.493SS..  trans-107.9-18.8179.1-68.70000115V556 S560 L561 S582 L585V556-C558 PolarHBondContact O-N 3.32Å; C558-S560 PolarHBondContact O-N 2.79Å; C558-L561 PolarHBondContact O-N 3.28Å; C558-S582 PolarHBondContact SG-OG 3.2Å; C558-S582 VanDerWaalsContact SG-OG 3.37Å; C558-L585 HydrophobicContact CB-CD1 4.46Å
559Y44.4Very low46.4Very low117.5 Ų117.596 Ų9646%0.46148%0.478SS..THydrogen-bonded Turntrans-71.8-33.7-170.8-171.7-101000113.9V556 A557 K563 N612V556-Y559 HydrophobicContact CG1-CD1 4.12Å; V556-Y559 CarbonylContact O-C 3.57Å; V556-Y559 WeakPolarHBondContact O-CA 3.48Å; V556-Y559 VanDerWaalsContact O-CB 3.3Å; V556-Y559 WeakPolarHBondContact O-CB 3.24Å; V556-Y559 PolarHBondContact O-N 2.96Å; A557-Y559 VanDerWaalsContact C-N 3.32Å; Y559-K563 PolarHBondContact OH-NZ 3.3Å; Y559-N612 HydrophobicContact CE2-CB 3.78Å; Y559-N612 PolarHBondContact OH-ND2 3.35Å
560S45.2Very low47.9Very low63.5 Ų63.591.2 Ų91.244%0.44445%0.452SS..THydrogen-bonded Turntrans-84.8-25.4-17974.20000114V556 C558 V562 K563 S564V556-S560 PolarHBondContact O-N 3.19Å; C558-S560 PolarHBondContact O-N 2.79Å; S560-V562 PolarHBondContact O-N 3.39Å; S560-K563 PolarHBondContact O-N 2.92Å; S560-K563 VanDerWaalsContact O-N 3.16Å; S560-S564 PolarHBondContact O-OG 3.37Å
561L44.8Very low49.7Very low60.5 Ų60.586.8 Ų86.832%0.31743%0.43SS..THydrogen-bonded Turntrans-72.9-31.5-174-101156.5000113.9P540 L543 L544 C558 K563 C565P540-L561 HydrophobicContact CB-CD1 3.47Å; P540-L561 VanDerWaalsContact CB-CD1 3.47Å; P540-L561 HydrophobicContact CB-CG 4.29Å; P540-L561 HydrophobicContact CG-CD1 4.28Å; L543-L561 HydrophobicContact CB-CD1 3.88Å; L543-L561 HydrophobicContact CB-CD2 3.65Å; L543-L561 HydrophobicContact CB-CG 4.41Å; L543-L561 HydrophobicContact CD1-CD1 4.09Å; L543-L561 HydrophobicContact CD1-CD2 3.98Å; L543-L561 HydrophobicContact CD1-CG 4.43Å; L543-L561 HydrophobicContact CD2-CD2 3.74Å; L543-L561 HydrophobicContact CG-CD2 3.95Å; L544-L561 HydrophobicContact CD1-CD1 4.48Å; C558-L561 PolarHBondContact O-N 3.28Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.11Å; L561-C565 PolarHBondContact O-SG 3.38Å
562V51.3Low51.2Low32.5 Ų32.584.5 Ų84.520%0.19742%0.422CS..THydrogen-bonded Turntrans-71.5-27.9179.4-178.30000111.6S560 S564 L585 F616 W674S560-V562 PolarHBondContact O-N 3.39Å; V562-S564 PolarHBondContact O-N 3.2Å; V562-L585 HydrophobicContact CG2-CD1 3.96Å; V562-F616 HydrophobicContact CG1-CD2 4.4Å; V562-W674 HydrophobicContact CG1-CB 4.1Å; V562-W674 HydrophobicContact CG1-CD2 4.3Å; V562-W674 HydrophobicContact CG1-CG 3.86Å; V562-W674 WeakPolarHBondContact O-CB 3.44Å
563K47.9Very low53.1Low92 Ų9284.2 Ų84.240%0.443%0.426SS..THydrogen-bonded Turntrans-69.4-36.1-175-72.1-169.9176.2-168.80113.7Y559 S560 L561 E675Y559-K563 PolarHBondContact OH-NZ 3.3Å; S560-K563 PolarHBondContact O-N 2.92Å; S560-K563 VanDerWaalsContact O-N 3.16Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.11Å; K563-E675 HydrophobicContact CB-CG 3.63Å; K563-E675 HydrophobicContact CD-CG 4.04Å; K563-E675 HydrophobicContact CG-CG 3.82Å
564S48.2Very low54.8Low98.5 Ų98.580 Ų8069%0.68941%0.408SS*.THydrogen-bonded Turntrans-97.7-6.8-169.1-18.10000115.3S560 V562S560-S564 PolarHBondContact O-OG 3.37Å; V562-S564 PolarHBondContact O-N 3.2Å
565C54.8Low56.5Low43 Ų4376 Ų7629%0.29140%0.402SS..SBendtrans-87.8145.1-178.4-72.80000112.5L561 N580L561-C565 PolarHBondContact O-SG 3.38Å; C565-N580 HydrophobicContact CB-CB 4.39Å
566R63Low58Low144.5 Ų144.572.5 Ų72.555%0.54539%0.389SS..BIsolated β-bridgetrans-60.8140.2167-74.3-177.2178.3-172.2-0.4109.8M568 E569 N580R566-M568 PolarHBondContact O-N 3.25Å; R566-E569 HydrophobicContact CB-CG 4.25Å; R566-N580 WeakPolarHBondContact O-CB 3.4Å; R566-N580 PolarHBondContact O-ND2 3.23Å
567V68.8Low59.5Low2 Ų270.6 Ų70.61%0.01238%0.377CS..SBendtrans-66.6-40.8-174.81730000112.6N580 M623 V672 W674 L680V567-N580 PolarHBondContact O-N 3.27Å; V567-N580 VanDerWaalsContact O-N 3.16Å; V567-M623 HydrophobicContact CG1-CE 3.47Å; V567-M623 HydrophobicContact CG1-SD 3.08Å; V567-M623 WeakPolarHBondContact CG1-SD 3.34Å; V567-V672 HydrophobicContact CG2-CG1 4.27Å; V567-V672 VanDerWaalsContact CG2-O 3.31Å; V567-V672 WeakPolarHBondContact CG2-O 3.44Å; V567-V672 PolarHBondContact N-O 2.91Å; V567-W674 HydrophobicContact CB-CZ2 4.41Å; V567-W674 HydrophobicContact CG1-CH2 4.01Å; V567-W674 HydrophobicContact CG1-CZ2 3.88Å; V567-W674 HydrophobicContact CG1-CZ3 4.44Å; V567-W674 HydrophobicContact CG2-CD2 4Å; V567-W674 HydrophobicContact CG2-CE3 4.46Å; V567-W674 HydrophobicContact CG2-CG 4.16Å; V567-W674 HydrophobicContact CG2-CZ2 4.43Å; V567-L680 HydrophobicContact CG2-CD1 3.78Å
568M71.1Confident60.9Low15.5 Ų15.575.2 Ų75.28%0.07639%0.385CS..EExtended strand (participates in β ladder)trans-134.7143.8176.3-83.1-173.5-132.400111.4R566 M577 R578 V579 M623 V626 Y683 L687R566-M568 PolarHBondContact O-N 3.25Å; M568-M577 HydrophobicContact CE-SD 4.18Å; M568-M577 HydrophobicContact SD-CG 4.29Å; M568-M577 HydrophobicContact SD-SD 3.55Å; M568-M577 VanDerWaalsContact SD-SD 3.62Å; M568-R578 WeakPolarHBondContact CA-O 3.47Å; M568-V579 HydrophobicContact CG-CB 4.46Å; M568-V579 HydrophobicContact CG-CG2 4.05Å; M568-V579 HydrophobicContact SD-CG2 4.16Å; M568-M623 HydrophobicContact CE-CB 3.56Å; M568-M623 VanDerWaalsContact CE-CB 3.45Å; M568-M623 HydrophobicContact CE-CG 3.47Å; M568-M623 VanDerWaalsContact CE-CG 3.47Å; M568-M623 HydrophobicContact CE-SD 3.87Å; M568-M623 HydrophobicContact SD-CB 4.31Å; M568-V626 HydrophobicContact CE-CB 4.46Å; M568-V626 HydrophobicContact CE-CG1 4.44Å; M568-Y683 HydrophobicContact CE-CE1 3.95Å; M568-L687 HydrophobicContact CE-CD1 3.36Å; M568-L687 VanDerWaalsContact CE-CD1 3.49Å; M568-L687 HydrophobicContact SD-CD1 4.12Å
569E67.4Low62.2Low97 Ų9773.1 Ų73.145%0.45337%0.371SS..EExtended strand (participates in β ladder)trans-131.3138.7171.9-73179.1170.700110.1R566 R578 N580R566-E569 HydrophobicContact CB-CG 4.25Å; E569-R578 PolarHBondContact N-O 2.92Å; E569-R578 PolarHBondContact O-N 3.19Å; E569-N580 PolarHBondContact OE2-ND2 2.99Å
570L67.7Low63.4Low40.5 Ų40.570.2 Ų70.221%0.21236%0.363CS..EExtended strand (participates in β ladder)trans-97.8113.6171.2-163.5121000107.2H572 M577 Y630 I656L570-H572 PolarHBondContact O-N 3.2Å; L570-H572 VanDerWaalsContact O-N 3.1Å; L570-M577 HydrophobicContact CD1-CE 4.32Å; L570-Y630 HydrophobicContact CD1-CE1 3.92Å; L570-I656 HydrophobicContact CB-CG2 4.34Å; L570-I656 HydrophobicContact CD1-CG2 3.88Å
571D70.3Confident64.5Low47.5 Ų47.567.9 Ų67.925%0.25435%0.345SS..EExtended strand (participates in β ladder)trans-76100.7177.7174.611.3000109.3K573 S574 G575 T576 R578D571-K573 PolarHBondContact O-N 2.97Å; D571-K573 PolarHBondContact OD1-N 2.95Å; D571-K573 VanDerWaalsContact OD1-N 3.13Å; D571-S574 WeakPolarHBondContact CB-OG 3.42Å; D571-S574 PolarHBondContact O-N 3.39Å; D571-S574 VanDerWaalsContact O-N 3.08Å; D571-S574 WeakPolarHBondContact OD2-CB 3.37Å; D571-S574 PolarHBondContact OD2-OG 3.29Å; D571-G575 WeakPolarHBondContact O-CA 3.37Å; D571-G575 PolarHBondContact O-N 3.37Å; D571-T576 PolarHBondContact N-O 3.06Å; D571-R578 IonicContact OD2-CZ 2.83Å; D571-R578 IonicContact OD2-NH2 3.19Å; D571-R578 PolarHBondContact OD2-NH2 3.18Å
572H68.2Low65.5Low168.5 Ų168.566.9 Ų66.978%0.7834%0.343SS*.THydrogen-bonded Turntrans-57-21-177.8-64-61.6000114.3L570L570-H572 PolarHBondContact O-N 3.2Å; L570-H572 VanDerWaalsContact O-N 3.1Å
573K67.3Low66.3Low205.5 Ų205.570.7 Ų70.789%0.89336%0.362SS*.THydrogen-bonded Turntrans-82-34.3177.8-68.7-173.8177.7-176.60113.1D571D571-K573 PolarHBondContact O-N 2.97Å; D571-K573 PolarHBondContact OD1-N 2.95Å; D571-K573 VanDerWaalsContact OD1-N 3.13Å
574S70.9Confident67.2Low57.5 Ų57.571.2 Ų71.240%0.40237%0.366SS..THydrogen-bonded Turntrans-104.1-12.1-17862.50000113.5D571 T576D571-S574 WeakPolarHBondContact CB-OG 3.42Å; D571-S574 PolarHBondContact O-N 3.39Å; D571-S574 VanDerWaalsContact O-N 3.08Å; D571-S574 WeakPolarHBondContact OD2-CB 3.37Å; D571-S574 PolarHBondContact OD2-OG 3.29Å; S574-T576 PolarHBondContact O-N 3.06Å; S574-T576 PolarHBondContact OG-N 3.31Å; S574-T576 PolarHBondContact OG-OG1 3.22Å
575G68.3Low68.3Low40 Ų4067.7 Ų67.741%0.41234%0.34SS..  trans68.22.3-169.900000113.6D571D571-G575 WeakPolarHBondContact O-CA 3.37Å; D571-G575 PolarHBondContact O-N 3.37Å
576T70.8Confident69.2Low47 Ų4766.6 Ų66.629%0.28833%0.331SS..EExtended strand (participates in β ladder)trans-90.1138.3-173.665.20000112.4D571 S574 N631D571-T576 PolarHBondContact N-O 3.06Å; S574-T576 PolarHBondContact O-N 3.06Å; S574-T576 PolarHBondContact OG-N 3.31Å; S574-T576 PolarHBondContact OG-OG1 3.22Å; T576-N631 WeakPolarHBondContact CA-OD1 3.45Å
577M74.2Confident69.8Low4.5 Ų4.563.5 Ų63.52%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-88.2131.1174.3-168.5-178.4-5500110.6M568 L570 A627 Y630 N631 F652 I656M568-M577 HydrophobicContact CE-SD 4.18Å; M568-M577 HydrophobicContact SD-CG 4.29Å; M568-M577 HydrophobicContact SD-SD 3.55Å; M568-M577 VanDerWaalsContact SD-SD 3.62Å; L570-M577 HydrophobicContact CD1-CE 4.32Å; M577-A627 HydrophobicContact CB-CB 4.03Å; M577-A627 HydrophobicContact CG-CB 3.84Å; M577-A627 VanDerWaalsContact SD-CA 3.54Å; M577-A627 HydrophobicContact SD-CB 3.78Å; M577-Y630 HydrophobicContact CB-CD1 4.15Å; M577-Y630 HydrophobicContact CE-CD1 3.7Å; M577-Y630 HydrophobicContact CE-CD2 3.98Å; M577-Y630 HydrophobicContact CE-CE1 4.04Å; M577-Y630 HydrophobicContact CE-CE2 4.36Å; M577-Y630 HydrophobicContact CE-CG 3.5Å; M577-N631 PolarHBondContact N-OD1 3.06Å; M577-N631 PolarHBondContact O-ND2 3.09Å; M577-N631 VanDerWaalsContact O-ND2 3.13Å; M577-F652 HydrophobicContact CE-CE1 3.9Å; M577-I656 HydrophobicContact CE-CD1 3.27Å; M577-I656 HydrophobicContact CE-CG1 4.11Å; M577-I656 HydrophobicContact CE-CG2 4.14Å; M577-I656 HydrophobicContact SD-CD1 4.2Å
578R69.3Low70.4Confident139.5 Ų139.564.1 Ų64.153%0.52632%0.323SS..EExtended strand (participates in β ladder)trans-126.3138.3177.5-53.6-174.3-144.6-137.48.5110.9M568 E569 D571M568-R578 WeakPolarHBondContact CA-O 3.47Å; E569-R578 PolarHBondContact N-O 2.92Å; E569-R578 PolarHBondContact O-N 3.19Å; D571-R578 IonicContact OD2-CZ 2.83Å; D571-R578 IonicContact OD2-NH2 3.19Å; D571-R578 PolarHBondContact OD2-NH2 3.18Å
579V72.4Confident70.8Confident18 Ų1863.7 Ų63.711%0.10932%0.322CS..EExtended strand (participates in β ladder)trans-98.4122.5175-1770000108.5M568 Y581 M623 K624 A627 W674M568-V579 HydrophobicContact CG-CB 4.46Å; M568-V579 HydrophobicContact CG-CG2 4.05Å; M568-V579 HydrophobicContact SD-CG2 4.16Å; V579-Y581 VanDerWaalsContact C-N 3.3Å; V579-Y581 PolarHBondContact O-N 3.32Å; V579-M623 HydrophobicContact CG1-CB 4.1Å; V579-M623 HydrophobicContact CG2-CB 3.88Å; V579-K624 HydrophobicContact CB-CG 3.93Å; V579-K624 HydrophobicContact CG1-CG 4.37Å; V579-K624 HydrophobicContact CG2-CG 3.96Å; V579-A627 HydrophobicContact CG2-CB 4Å; V579-W674 HydrophobicContact CG1-CH2 4.33Å; V579-W674 HydrophobicContact CG1-CZ2 4.2Å
580N69.1Low71.5Confident56.5 Ų56.563.4 Ų63.430%0.30232%0.319SS..  trans-79.170.7-177.4-72.2-32.2000111.3C565 R566 V567 E569 W674C565-N580 HydrophobicContact CB-CB 4.39Å; R566-N580 WeakPolarHBondContact O-CB 3.4Å; R566-N580 PolarHBondContact O-ND2 3.23Å; V567-N580 PolarHBondContact O-N 3.27Å; V567-N580 VanDerWaalsContact O-N 3.16Å; E569-N580 PolarHBondContact OE2-ND2 2.99Å; N580-W674 PolarHBondContact O-NE1 2.86Å
581Y68.5Low72.3Confident16 Ų1661.7 Ų61.76%0.06331%0.31CS..  trans-142.2117.5179.2-167.5-89000111.9V579 D583 L585 V586 G613 F616 L617 A620 K624 W674V579-Y581 VanDerWaalsContact C-N 3.3Å; V579-Y581 PolarHBondContact O-N 3.32Å; Y581-D583 PolarHBondContact O-N 3.34Å; Y581-L585 HydrophobicContact CE1-CB 4.47Å; Y581-V586 HydrophobicContact CD1-CG2 4.14Å; Y581-V586 HydrophobicContact CE1-CG2 3.7Å; Y581-G613 VanDerWaalsContact OH-C 3.25Å; Y581-G613 WeakPolarHBondContact OH-CA 3.29Å; Y581-G613 PolarHBondContact OH-O 3.17Å; Y581-F616 HydrophobicContact CE2-CB 4.12Å; Y581-L617 HydrophobicContact CE1-CD1 4.06Å; Y581-A620 HydrophobicContact CD1-CB 3.68Å; Y581-A620 VanDerWaalsContact CD1-CB 3.47Å; Y581-A620 HydrophobicContact CD2-CB 3.65Å; Y581-A620 HydrophobicContact CE1-CB 4.1Å; Y581-A620 HydrophobicContact CE2-CB 4.07Å; Y581-A620 HydrophobicContact CG-CB 3.44Å; Y581-K624 PolarHBondContact O-NZ 2.81Å; Y581-K624 VanDerWaalsContact O-NZ 3.11Å; Y581-W674 HydrophobicContact CD2-CH2 4.11Å; Y581-W674 AromaticContact CD2-CZ2 3.95Å; Y581-W674 HydrophobicContact CD2-CZ2 4.09Å; Y581-W674 HydrophobicContact CD2-CZ3 4.37Å; Y581-W674 HydrophobicContact CG-CH2 4.49Å; Y581-W674 HydrophobicContact CG-CZ2 4.41Å
582S67.1Low73Confident39.5 Ų39.559.8 Ų59.828%0.27630%0.3SS..  trans-65.4127.1-172.3177.20000113.1C558 E584 L585 V586C558-S582 PolarHBondContact SG-OG 3.2Å; C558-S582 VanDerWaalsContact SG-OG 3.37Å; S582-E584 PolarHBondContact O-N 2.81Å; S582-E584 PolarHBondContact OG-N 3.36Å; S582-L585 PolarHBondContact O-N 3.13Å; S582-V586 PolarHBondContact O-N 3.42Å
583D67.2Low73.9Confident111.5 Ų111.558.8 Ų58.860%0.59629%0.289SS*.Hα-helixtrans-66.7-23.8174.5-67.5-42.5000112.7Y581 L585 V586 R587 K624Y581-D583 PolarHBondContact O-N 3.34Å; D583-L585 VanDerWaalsContact C-N 3.35Å; D583-L585 PolarHBondContact O-N 3.25Å; D583-V586 WeakPolarHBondContact O-CB 3.41Å; D583-V586 PolarHBondContact O-N 3.06Å; D583-V586 VanDerWaalsContact O-N 3.14Å; D583-R587 PolarHBondContact O-N 3.2Å; D583-K624 IonicContact OD1-NZ 3.53Å; D583-K624 PolarHBondContact OD1-NZ 2.79Å; D583-K624 IonicContact OD2-NZ 3.44Å
584E67.1Low74.8Confident102.5 Ų102.552 Ų5248%0.47926%0.261SS..Hα-helixtrans-68-34.8176.4-63.5-114.5153.200112.2S582 V586 R587 L588S582-E584 PolarHBondContact O-N 2.81Å; S582-E584 PolarHBondContact OG-N 3.36Å; E584-V586 VanDerWaalsContact C-N 3.31Å; E584-V586 PolarHBondContact O-N 3.37Å; E584-R587 PolarHBondContact O-N 3.07Å; E584-R587 IonicContact OE2-CZ 3.32Å; E584-R587 IonicContact OE2-NE 2.67Å; E584-R587 PolarHBondContact OE2-NE 3.16Å; E584-R587 IonicContact OE2-NH2 3.7Å; E584-R587 PolarHBondContact OE2-NH2 3.24Å; E584-L588 WeakPolarHBondContact O-CB 3.48Å; E584-L588 PolarHBondContact O-N 2.79Å
585L69.9Low75.7Confident26 Ų2649.3 Ų49.314%0.13624%0.242CC..Hα-helixtrans-65.6-36.5172.4-92156.7000111.4C558 V562 Y581 S582 D583 A589C558-L585 HydrophobicContact CB-CD1 4.46Å; V562-L585 HydrophobicContact CG2-CD1 3.96Å; Y581-L585 HydrophobicContact CE1-CB 4.47Å; S582-L585 PolarHBondContact O-N 3.13Å; D583-L585 VanDerWaalsContact C-N 3.35Å; D583-L585 PolarHBondContact O-N 3.25Å; L585-A589 WeakPolarHBondContact O-CB 3.29Å; L585-A589 PolarHBondContact O-N 3.18Å; L585-A589 VanDerWaalsContact O-N 3.08Å
586V74.4Confident76.7Confident18.5 Ų18.551 Ų5111%0.11224%0.241CC..Hα-helixtrans-65.7-46.7174.4-1740000110.5Y581 S582 D583 E584 A589 K590 L617Y581-V586 HydrophobicContact CD1-CG2 4.14Å; Y581-V586 HydrophobicContact CE1-CG2 3.7Å; S582-V586 PolarHBondContact O-N 3.42Å; D583-V586 WeakPolarHBondContact O-CB 3.41Å; D583-V586 PolarHBondContact O-N 3.06Å; D583-V586 VanDerWaalsContact O-N 3.14Å; E584-V586 VanDerWaalsContact C-N 3.31Å; E584-V586 PolarHBondContact O-N 3.37Å; V586-A589 PolarHBondContact O-N 2.95Å; V586-K590 HydrophobicContact CG1-CD 4.37Å; V586-K590 WeakPolarHBondContact O-CG 3.3Å; V586-K590 PolarHBondContact O-N 2.83Å; V586-L617 HydrophobicContact CB-CD1 4.32Å; V586-L617 HydrophobicContact CG1-CD1 4.01Å; V586-L617 HydrophobicContact CG2-CD1 3.67Å
587R76.7Confident77.3Confident81 Ų8152.8 Ų52.831%0.30626%0.255SS..Hα-helixtrans-60.9-45.8177.5-176.4170.169.4116.2-1.2111.3G466 D583 E584 A589 K590 D591G466-R587 WeakPolarHBondContact O-CG 3.37Å; D583-R587 PolarHBondContact O-N 3.2Å; E584-R587 PolarHBondContact O-N 3.07Å; E584-R587 IonicContact OE2-CZ 3.32Å; E584-R587 IonicContact OE2-NE 2.67Å; E584-R587 PolarHBondContact OE2-NE 3.16Å; E584-R587 IonicContact OE2-NH2 3.7Å; E584-R587 PolarHBondContact OE2-NH2 3.24Å; R587-A589 VanDerWaalsContact C-N 3.34Å; R587-A589 PolarHBondContact O-N 2.92Å; R587-K590 WeakPolarHBondContact O-CB 3.36Å; R587-K590 PolarHBondContact O-N 2.76Å; R587-K590 VanDerWaalsContact O-N 3.14Å; R587-D591 WeakPolarHBondContact O-CB 3.48Å; R587-D591 PolarHBondContact O-N 3.22Å
588L80.1Confident77.9Confident14.5 Ų14.555.2 Ų55.28%0.07627%0.268CS..Hα-helixtrans-57.9-45.3175.9-179.163.4000111.9W526 T530 E584 K590 D591 V592 I606 C609 A610W526-L588 HydrophobicContact CH2-CD1 4.49Å; W526-L588 HydrophobicContact CZ2-CD1 4.15Å; T530-L588 HydrophobicContact CG2-CD1 3.61Å; E584-L588 WeakPolarHBondContact O-CB 3.48Å; E584-L588 PolarHBondContact O-N 2.79Å; L588-K590 VanDerWaalsContact C-N 3.32Å; L588-K590 PolarHBondContact O-N 3.15Å; L588-D591 PolarHBondContact O-N 2.81Å; L588-V592 HydrophobicContact CD1-CG2 4.26Å; L588-V592 WeakPolarHBondContact O-CB 3.39Å; L588-V592 VanDerWaalsContact O-CG2 3.31Å; L588-V592 WeakPolarHBondContact O-CG2 3.37Å; L588-V592 PolarHBondContact O-N 3.43Å; L588-I606 HydrophobicContact CD1-CG2 4.11Å; L588-C609 HydrophobicContact CD2-CB 4.26Å; L588-A610 HydrophobicContact CG-CB 4.43Å
589A79.2Confident78.7Confident6.5 Ų6.551.7 Ų51.75%0.05428%0.275CS..Hα-helixtrans-64.1-36.4177.600000112.5L585 V586 R587 R593L585-A589 WeakPolarHBondContact O-CB 3.29Å; L585-A589 PolarHBondContact O-N 3.18Å; L585-A589 VanDerWaalsContact O-N 3.08Å; V586-A589 PolarHBondContact O-N 2.95Å; R587-A589 VanDerWaalsContact C-N 3.34Å; R587-A589 PolarHBondContact O-N 2.92Å; A589-R593 WeakPolarHBondContact O-CB 3.34Å; A589-R593 PolarHBondContact O-N 3.01Å; A589-R593 VanDerWaalsContact O-N 3.09Å
590K83Confident79.4Confident91 Ų9152.2 Ų52.240%0.39628%0.275SS..Hα-helixtrans-68.3-44.7174-71.4178.4176.5-176.80111.9L467 V586 R587 L588 R593 Q594L467-K590 HydrophobicContact CD2-CB 3.72Å; V586-K590 HydrophobicContact CG1-CD 4.37Å; V586-K590 WeakPolarHBondContact O-CG 3.3Å; V586-K590 PolarHBondContact O-N 2.83Å; R587-K590 WeakPolarHBondContact O-CB 3.36Å; R587-K590 PolarHBondContact O-N 2.76Å; R587-K590 VanDerWaalsContact O-N 3.14Å; L588-K590 VanDerWaalsContact C-N 3.32Å; L588-K590 PolarHBondContact O-N 3.15Å; K590-R593 WeakPolarHBondContact O-CB 3.37Å; K590-R593 PolarHBondContact O-N 2.97Å; K590-Q594 WeakPolarHBondContact O-CB 3.33Å; K590-Q594 PolarHBondContact O-N 3.26Å
591D84Confident80.1Confident3.5 Ų3.558.7 Ų58.72%0.01930%0.301CS..Hα-helixtrans-59.9-50.5177.9-76.6-18.6000111.2L467 S468 T471 W526 R587 L588 R593 Q594 L595L467-D591 WeakPolarHBondContact CA-OD1 3.29Å; L467-D591 WeakPolarHBondContact CB-OD1 3.36Å; L467-D591 VanDerWaalsContact CD2-OD1 3.31Å; L467-D591 WeakPolarHBondContact CD2-OD1 3.42Å; S468-D591 WeakPolarHBondContact CB-OD2 3.47Å; S468-D591 PolarHBondContact N-OD1 3.32Å; S468-D591 PolarHBondContact N-OD2 2.92Å; S468-D591 PolarHBondContact OG-OD1 3.5Å; S468-D591 PolarHBondContact OG-OD2 3.28Å; T471-D591 VanDerWaalsContact CB-OD1 3.31Å; T471-D591 WeakPolarHBondContact CB-OD1 3.5Å; T471-D591 PolarHBondContact OG1-OD1 3.24Å; W526-D591 HydrophobicContact CZ2-CB 3.75Å; R587-D591 WeakPolarHBondContact O-CB 3.48Å; R587-D591 PolarHBondContact O-N 3.22Å; L588-D591 PolarHBondContact O-N 2.81Å; D591-R593 VanDerWaalsContact C-N 3.29Å; D591-R593 PolarHBondContact O-N 3.25Å; D591-Q594 PolarHBondContact O-N 3.17Å; D591-Q594 VanDerWaalsContact O-N 3.17Å; D591-L595 WeakPolarHBondContact O-CB 3.37Å; D591-L595 VanDerWaalsContact O-CG 3.3Å; D591-L595 WeakPolarHBondContact O-CG 3.41Å; D591-L595 PolarHBondContact O-N 2.9Å
592V86Confident80.9Confident8.5 Ų8.558.9 Ų58.95%0.05230%0.302CS..Hα-helixtrans-57.9-43.5177.7167.70000111.1W526 L588 L595 L596 M602 I606 A610W526-V592 HydrophobicContact CH2-CG2 4Å; L588-V592 HydrophobicContact CD1-CG2 4.26Å; L588-V592 WeakPolarHBondContact O-CB 3.39Å; L588-V592 VanDerWaalsContact O-CG2 3.31Å; L588-V592 WeakPolarHBondContact O-CG2 3.37Å; L588-V592 PolarHBondContact O-N 3.43Å; V592-L595 PolarHBondContact O-N 3.11Å; V592-L596 HydrophobicContact CG1-CD1 3.79Å; V592-L596 HydrophobicContact CG1-CG 4.38Å; V592-L596 WeakPolarHBondContact O-CB 3.34Å; V592-L596 WeakPolarHBondContact O-CD1 3.46Å; V592-L596 WeakPolarHBondContact O-CG 3.09Å; V592-L596 PolarHBondContact O-N 3.21Å; V592-M602 HydrophobicContact CG1-CG 4.24Å; V592-M602 HydrophobicContact CG2-SD 4.26Å; V592-I606 HydrophobicContact CG2-CG2 3.6Å; V592-A610 HydrophobicContact CB-CB 4.04Å; V592-A610 HydrophobicContact CG1-CB 4.14Å; V592-A610 HydrophobicContact CG2-CB 3.82Å
593R85.9Confident81.8Confident146.5 Ų146.558.9 Ų58.955%0.55330%0.302SS*.Hα-helixtrans-62.7-46177.4-172.9-1767.9-177.32.7111.9A589 K590 D591 L596 S597A589-R593 WeakPolarHBondContact O-CB 3.34Å; A589-R593 PolarHBondContact O-N 3.01Å; A589-R593 VanDerWaalsContact O-N 3.09Å; K590-R593 WeakPolarHBondContact O-CB 3.37Å; K590-R593 PolarHBondContact O-N 2.97Å; D591-R593 VanDerWaalsContact C-N 3.29Å; D591-R593 PolarHBondContact O-N 3.25Å; R593-L596 PolarHBondContact O-N 2.84Å; R593-S597 PolarHBondContact O-N 2.76Å
594Q87.1Confident82.4Confident64 Ų6461.2 Ų61.230%0.29931%0.309SS..Hα-helixtrans-63.7-45.9179.9-172.263.627.600111L467 T471 K590 D591 L596 S597 L598L467-Q594 HydrophobicContact CD1-CG 4.29Å; L467-Q594 HydrophobicContact CD2-CB 4.27Å; T471-Q594 HydrophobicContact CG2-CB 3.81Å; T471-Q594 HydrophobicContact CG2-CG 3.72Å; K590-Q594 WeakPolarHBondContact O-CB 3.33Å; K590-Q594 PolarHBondContact O-N 3.26Å; D591-Q594 PolarHBondContact O-N 3.17Å; D591-Q594 VanDerWaalsContact O-N 3.17Å; Q594-L596 PolarHBondContact O-N 3.43Å; Q594-S597 PolarHBondContact O-N 3.23Å; Q594-S597 PolarHBondContact O-OG 3.25Å; Q594-L598 HydrophobicContact CG-CD1 4.44Å; Q594-L598 WeakPolarHBondContact O-CG 3.26Å; Q594-L598 PolarHBondContact O-N 2.95Å; Q594-L598 VanDerWaalsContact O-N 3.1Å
595L89.5Confident83Confident0 Ų062.8 Ų62.80%031%0.31CS..Hα-helixtrans-66.1-38.9-179.9-66.4170.3000112.3T471 I474 F523 W526 D591 V592 S597 L598 G599 Y600 M602T471-L595 HydrophobicContact CG2-CD2 4.16Å; T471-L595 HydrophobicContact CG2-CG 4.13Å; I474-L595 HydrophobicContact CB-CD2 4.42Å; I474-L595 HydrophobicContact CD1-CD2 3.71Å; I474-L595 HydrophobicContact CG2-CD2 3.95Å; F523-L595 HydrophobicContact CD2-CD1 4.28Å; F523-L595 HydrophobicContact CD2-CD2 4.17Å; F523-L595 HydrophobicContact CE2-CB 4.48Å; F523-L595 HydrophobicContact CE2-CD1 4.14Å; F523-L595 HydrophobicContact CE2-CD2 4.42Å; W526-L595 HydrophobicContact CD2-CD1 3.88Å; W526-L595 HydrophobicContact CE3-CD1 3.58Å; W526-L595 HydrophobicContact CH2-CD1 3.61Å; W526-L595 HydrophobicContact CZ2-CD1 3.88Å; W526-L595 HydrophobicContact CZ3-CD1 3.45Å; W526-L595 VanDerWaalsContact CZ3-CD1 3.45Å; D591-L595 WeakPolarHBondContact O-CB 3.37Å; D591-L595 VanDerWaalsContact O-CG 3.3Å; D591-L595 WeakPolarHBondContact O-CG 3.41Å; D591-L595 PolarHBondContact O-N 2.9Å; V592-L595 PolarHBondContact O-N 3.11Å; L595-S597 VanDerWaalsContact C-N 3.34Å; L595-S597 PolarHBondContact O-N 2.9Å; L595-L598 PolarHBondContact O-N 2.8Å; L595-G599 PolarHBondContact O-N 2.89Å; L595-Y600 HydrophobicContact CD2-CD2 4.5Å; L595-Y600 WeakPolarHBondContact O-CB 3.4Å; L595-Y600 PolarHBondContact O-N 3.19Å; L595-Y600 VanDerWaalsContact O-N 3.12Å; L595-M602 HydrophobicContact CB-CE 3.81Å; L595-M602 HydrophobicContact CB-SD 4.17Å; L595-M602 HydrophobicContact CD1-CE 4.29Å; L595-M602 HydrophobicContact CD1-SD 4.35Å
596L88.2Confident83.6Confident76.5 Ų76.561.5 Ų61.540%0.40130%0.304SS..Hα-helixtrans-61.6-41.8172-74.3170.2000111.7V592 R593 Q594 L598 G599 M602V592-L596 HydrophobicContact CG1-CD1 3.79Å; V592-L596 HydrophobicContact CG1-CG 4.38Å; V592-L596 WeakPolarHBondContact O-CB 3.34Å; V592-L596 WeakPolarHBondContact O-CD1 3.46Å; V592-L596 WeakPolarHBondContact O-CG 3.09Å; V592-L596 PolarHBondContact O-N 3.21Å; R593-L596 PolarHBondContact O-N 2.84Å; Q594-L596 PolarHBondContact O-N 3.43Å; L596-L598 PolarHBondContact O-N 2.9Å; L596-G599 PolarHBondContact O-N 3.43Å; L596-M602 HydrophobicContact CD2-CB 4.31Å; L596-M602 HydrophobicContact CD2-CG 3.75Å; L596-M602 HydrophobicContact CG-CG 3.9Å
597S85.3Confident83.9Confident84 Ų8463.8 Ų63.859%0.58731%0.313SS*.Hα-helixtrans-65.4-25.2177.573.90000113.5R593 Q594 L595 G599R593-S597 PolarHBondContact O-N 2.76Å; Q594-S597 PolarHBondContact O-N 3.23Å; Q594-S597 PolarHBondContact O-OG 3.25Å; L595-S597 VanDerWaalsContact C-N 3.34Å; L595-S597 PolarHBondContact O-N 2.9Å; S597-G599 VanDerWaalsContact C-N 3.27Å
598L86.1Confident84Confident56 Ų5664.4 Ų64.429%0.29332%0.322SS..THydrogen-bonded Turntrans-83.91.6174-66.3173.3000113.1I474 A475 Q594 L595 L596 Y600I474-L598 HydrophobicContact CG2-CD1 3.89Å; A475-L598 HydrophobicContact CB-CD1 4.29Å; Q594-L598 HydrophobicContact CG-CD1 4.44Å; Q594-L598 WeakPolarHBondContact O-CG 3.26Å; Q594-L598 PolarHBondContact O-N 2.95Å; Q594-L598 VanDerWaalsContact O-N 3.1Å; L595-L598 PolarHBondContact O-N 2.8Å; L596-L598 PolarHBondContact O-N 2.9Å; L598-Y600 HydrophobicContact CB-CD2 4.05Å; L598-Y600 HydrophobicContact CB-CE2 4.38Å
599G84.8Confident83.8Confident65 Ų6564.5 Ų64.567%0.6732%0.324SS*.THydrogen-bonded Turntrans89.48.3176.400000115.5L595 L596 S597L595-G599 PolarHBondContact O-N 2.89Å; L596-G599 PolarHBondContact O-N 3.43Å; S597-G599 VanDerWaalsContact C-N 3.27Å
600Y87.6Confident83.8Confident28.5 Ų28.564.4 Ų64.411%0.11232%0.323CS..  trans-77.2138.5179.5-77.8-80.5000112.8I474 R519 D520 F523 L595 L598 M602I474-Y600 HydrophobicContact CG2-CD2 4.42Å; I474-Y600 HydrophobicContact CG2-CE2 3.77Å; R519-Y600 WeakPolarHBondContact CD-OH 3.41Å; R519-Y600 HydrophobicContact CG-CE2 4.39Å; R519-Y600 WeakPolarHBondContact CG-OH 3.32Å; R519-Y600 PolarHBondContact NE-OH 2.76Å; D520-Y600 WeakPolarHBondContact OD1-CE1 3.37Å; D520-Y600 PolarHBondContact OD1-OH 3.12Å; F523-Y600 HydrophobicContact CB-CD1 4.2Å; F523-Y600 HydrophobicContact CB-CE1 3.91Å; F523-Y600 AromaticContact CD1-CD1 3.41Å; F523-Y600 HydrophobicContact CD1-CD1 3.41Å; F523-Y600 VanDerWaalsContact CD1-CD1 3.48Å; F523-Y600 AromaticContact CD1-CE1 3.77Å; F523-Y600 HydrophobicContact CD1-CE1 3.77Å; F523-Y600 HydrophobicContact CD1-CG 4.31Å; F523-Y600 AromaticContact CD2-CD1 3.5Å; F523-Y600 HydrophobicContact CD2-CD1 3.79Å; F523-Y600 VanDerWaalsContact CD2-CD1 3.5Å; F523-Y600 HydrophobicContact CD2-CD2 4.29Å; F523-Y600 AromaticContact CD2-CE1 3.98Å; F523-Y600 HydrophobicContact CD2-CE1 3.98Å; F523-Y600 AromaticContact CD2-CG 3.69Å; F523-Y600 HydrophobicContact CD2-CG 3.93Å; F523-Y600 AromaticContact CE1-CD1 3.64Å; F523-Y600 HydrophobicContact CE1-CD1 3.64Å; F523-Y600 HydrophobicContact CE1-CE1 4.34Å; F523-Y600 HydrophobicContact CE1-CG 4.35Å; F523-Y600 VanDerWaalsContact CE2-CB 3.47Å; F523-Y600 AromaticContact CE2-CD1 3.59Å; F523-Y600 HydrophobicContact CE2-CD1 3.99Å; F523-Y600 HydrophobicContact CE2-CD2 4.46Å; F523-Y600 HydrophobicContact CE2-CE1 4.49Å; F523-Y600 AromaticContact CE2-CG 3.58Å; F523-Y600 HydrophobicContact CE2-CG 3.96Å; F523-Y600 AromaticContact CG-CD1 3.49Å; F523-Y600 HydrophobicContact CG-CD1 3.49Å; F523-Y600 VanDerWaalsContact CG-CD1 3.41Å; F523-Y600 AromaticContact CG-CE1 3.71Å; F523-Y600 HydrophobicContact CG-CE1 3.71Å; F523-Y600 HydrophobicContact CG-CG 4.11Å; F523-Y600 AromaticContact CZ-CD1 3.66Å; F523-Y600 HydrophobicContact CZ-CD1 3.93Å; F523-Y600 AromaticContact CZ-CG 3.96Å; F523-Y600 HydrophobicContact CZ-CG 4.18Å; L595-Y600 HydrophobicContact CD2-CD2 4.5Å; L595-Y600 WeakPolarHBondContact O-CB 3.4Å; L595-Y600 PolarHBondContact O-N 3.19Å; L595-Y600 VanDerWaalsContact O-N 3.12Å; L598-Y600 HydrophobicContact CB-CD2 4.05Å; L598-Y600 HydrophobicContact CB-CE2 4.38Å; Y600-M602 VanDerWaalsContact CB-CE 3.42Å; Y600-M602 WeakPolarHBondContact O-CE 2.93Å; Y600-M602 PolarHBondContact O-N 3.48Å
601K84.5Confident83.6Confident193 Ų19364.6 Ų64.684%0.83933%0.325SS*.  trans-83.2115.5174.1-66.3-176.9-179.3178.70110.4
602M84.5Confident83Confident19.6667 Ų19.666767.6 Ų67.610%0.09734%0.341CS..  trans-82.5140.1-179.3-70.4-59.9103.500112.9F523 W526 V592 L595 L596 Y600 Q604 I606 Q607F523-M602 HydrophobicContact CD2-CE 4.4Å; F523-M602 HydrophobicContact CE1-CE 4.47Å; F523-M602 HydrophobicContact CE2-CE 3.17Å; F523-M602 HydrophobicContact CE2-SD 3.92Å; F523-M602 HydrophobicContact CZ-CE 3.26Å; F523-M602 HydrophobicContact CZ-SD 4.14Å; W526-M602 HydrophobicContact CH2-SD 4.14Å; W526-M602 HydrophobicContact CZ3-CE 3.82Å; W526-M602 HydrophobicContact CZ3-SD 3.79Å; V592-M602 HydrophobicContact CG1-CG 4.24Å; V592-M602 HydrophobicContact CG2-SD 4.26Å; L595-M602 HydrophobicContact CB-CE 3.81Å; L595-M602 HydrophobicContact CB-SD 4.17Å; L595-M602 HydrophobicContact CD1-CE 4.29Å; L595-M602 HydrophobicContact CD1-SD 4.35Å; L596-M602 HydrophobicContact CD2-CB 4.31Å; L596-M602 HydrophobicContact CD2-CG 3.75Å; L596-M602 HydrophobicContact CG-CG 3.9Å; Y600-M602 VanDerWaalsContact CB-CE 3.42Å; Y600-M602 WeakPolarHBondContact O-CE 2.93Å; Y600-M602 PolarHBondContact O-N 3.48Å; M602-Q604 PolarHBondContact O-N 3.37Å; M602-I606 HydrophobicContact SD-CG2 4.44Å; M602-Q607 HydrophobicContact CB-CB 4.46Å
603P86.3Confident82.2Confident40.6667 Ų40.666767.4 Ų67.426%0.26434%0.341SS..  trans-59.1133.4165.7-23.633.8000111.9C527 M531 R605 I606 Q607C527-P603 HydrophobicContact CB-CG 4.41Å; M531-P603 HydrophobicContact SD-CB 4.43Å; P603-R605 PolarHBondContact O-N 3.31Å; P603-R605 VanDerWaalsContact O-N 3.12Å; P603-I606 HydrophobicContact CB-CD1 4.32Å; P603-I606 HydrophobicContact CB-CG1 4.41Å; P603-I606 HydrophobicContact CG-CD1 4.05Å; P603-I606 PolarHBondContact O-N 3.38Å; P603-I606 VanDerWaalsContact O-N 3.1Å; P603-Q607 PolarHBondContact O-N 3.35Å; P603-Q607 VanDerWaalsContact O-N 3.13Å
604Q80.8Confident81.7Confident159 Ų15965.2 Ų65.274%0.74334%0.337SS*.Hα-helixtrans-54.6-36.4-175.9-74.3-176.3-11.900113.6M602 I606 Q607 L608M602-Q604 PolarHBondContact O-N 3.37Å; Q604-I606 PolarHBondContact O-N 3.43Å; Q604-Q607 PolarHBondContact O-N 3.19Å; Q604-L608 WeakPolarHBondContact O-CB 3.4Å; Q604-L608 WeakPolarHBondContact O-CD1 3.42Å; Q604-L608 VanDerWaalsContact O-CG 3.29Å; Q604-L608 WeakPolarHBondContact O-CG 3.46Å; Q604-L608 PolarHBondContact O-N 3.08Å
605R79.5Confident81.1Confident135.667 Ų135.66768.6 Ų68.651%0.51235%0.351SS..Hα-helixtrans-60.7-46.8177.9-72.3-176.298.6-159.7-0.6112.4M534 D535 P603 Q607 L608 C609M534-R605 HydrophobicContact CE-CB 4.37Å; D535-R605 IonicContact OD1-CZ 3.24Å; D535-R605 VanDerWaalsContact OD1-CZ 3.28Å; D535-R605 IonicContact OD1-NH1 3.25Å; D535-R605 PolarHBondContact OD1-NH1 3.48Å; D535-R605 IonicContact OD1-NH2 2.8Å; D535-R605 PolarHBondContact OD1-NH2 2.93Å; D535-R605 IonicContact OD2-CZ 3.1Å; D535-R605 IonicContact OD2-NH1 3.07Å; D535-R605 PolarHBondContact OD2-NH1 3.15Å; D535-R605 IonicContact OD2-NH2 2.78Å; P603-R605 PolarHBondContact O-N 3.31Å; P603-R605 VanDerWaalsContact O-N 3.12Å; R605-Q607 VanDerWaalsContact C-N 3.34Å; R605-L608 PolarHBondContact O-N 2.9Å; R605-C609 WeakPolarHBondContact O-CB 3.47Å; R605-C609 PolarHBondContact O-N 3.27Å; R605-C609 VanDerWaalsContact O-N 3.16Å
606I81.8Confident80.4Confident0 Ų070.3 Ų70.30%036%0.358CS..Hα-helixtrans-65-44.6178.6-64176.4000109.5W526 C527 T530 M531 M534 L588 V592 M602 P603 Q604 L608 C609 A610W526-I606 HydrophobicContact CH2-CD1 4.49Å; W526-I606 HydrophobicContact CH2-CG2 3.93Å; W526-I606 HydrophobicContact CZ3-CD1 4.13Å; W526-I606 HydrophobicContact CZ3-CG2 4.44Å; C527-I606 HydrophobicContact CB-CD1 4.35Å; T530-I606 HydrophobicContact CG2-CD1 4.03Å; T530-I606 HydrophobicContact CG2-CG1 4.06Å; T530-I606 HydrophobicContact CG2-CG2 4.24Å; M531-I606 HydrophobicContact CG-CD1 4.1Å; M531-I606 HydrophobicContact CG-CG1 4.12Å; M534-I606 HydrophobicContact CE-CB 4.34Å; M534-I606 HydrophobicContact CE-CG1 3.47Å; M534-I606 VanDerWaalsContact CE-CG1 3.47Å; L588-I606 HydrophobicContact CD1-CG2 4.11Å; V592-I606 HydrophobicContact CG2-CG2 3.6Å; M602-I606 HydrophobicContact SD-CG2 4.44Å; P603-I606 HydrophobicContact CB-CD1 4.32Å; P603-I606 HydrophobicContact CB-CG1 4.41Å; P603-I606 HydrophobicContact CG-CD1 4.05Å; P603-I606 PolarHBondContact O-N 3.38Å; P603-I606 VanDerWaalsContact O-N 3.1Å; Q604-I606 PolarHBondContact O-N 3.43Å; I606-L608 PolarHBondContact O-N 3.06Å; I606-C609 PolarHBondContact O-N 3.24Å; I606-A610 WeakPolarHBondContact O-CB 3.43Å; I606-A610 PolarHBondContact O-N 3.04Å
607Q81.2Confident79.8Confident65.3333 Ų65.333368.2 Ų68.231%0.30535%0.347SS..Hα-helixtrans-61.5-44.6-179.9-170.91775.100112.1M602 P603 Q604 R605 C609 A610 Q611M602-Q607 HydrophobicContact CB-CB 4.46Å; P603-Q607 PolarHBondContact O-N 3.35Å; P603-Q607 VanDerWaalsContact O-N 3.13Å; Q604-Q607 PolarHBondContact O-N 3.19Å; R605-Q607 VanDerWaalsContact C-N 3.34Å; Q607-C609 PolarHBondContact O-N 3.33Å; Q607-A610 PolarHBondContact O-N 3.25Å; Q607-Q611 HydrophobicContact CG-CG 4.47Å; Q607-Q611 WeakPolarHBondContact O-CB 3.25Å; Q607-Q611 VanDerWaalsContact O-CG 3.27Å; Q607-Q611 WeakPolarHBondContact O-CG 3.31Å; Q607-Q611 PolarHBondContact O-N 3.09Å
608L78.9Confident79.4Confident94.6667 Ų94.666771 Ų7150%0.49635%0.349SS..Hα-helixtrans-63.1-41.6176.5-106.1134.9000112Q604 R605 I606 Q611 N612Q604-L608 WeakPolarHBondContact O-CB 3.4Å; Q604-L608 WeakPolarHBondContact O-CD1 3.42Å; Q604-L608 VanDerWaalsContact O-CG 3.29Å; Q604-L608 WeakPolarHBondContact O-CG 3.46Å; Q604-L608 PolarHBondContact O-N 3.08Å; R605-L608 PolarHBondContact O-N 2.9Å; I606-L608 PolarHBondContact O-N 3.06Å; L608-Q611 PolarHBondContact O-N 3.16Å; L608-N612 WeakPolarHBondContact O-CB 3.38Å; L608-N612 VanDerWaalsContact O-CG 3.25Å; L608-N612 PolarHBondContact O-N 3.02Å; L608-N612 PolarHBondContact O-ND2 3.04Å
609C76.1Confident79Confident17 Ų1769.7 Ų69.712%0.11534%0.34CS..Hα-helixtrans-61.5-47.6175.9-1750000111.5M534 L588 R605 I606 Q607 Q611 N612 G613M534-C609 HydrophobicContact SD-CB 3.84Å; L588-C609 HydrophobicContact CD2-CB 4.26Å; R605-C609 WeakPolarHBondContact O-CB 3.47Å; R605-C609 PolarHBondContact O-N 3.27Å; R605-C609 VanDerWaalsContact O-N 3.16Å; I606-C609 PolarHBondContact O-N 3.24Å; Q607-C609 PolarHBondContact O-N 3.33Å; C609-Q611 PolarHBondContact O-N 2.97Å; C609-N612 PolarHBondContact O-N 3.26Å; C609-G613 PolarHBondContact O-N 2.98Å
610A79Confident78.6Confident3.33333 Ų3.3333366.6 Ų66.63%0.02831%0.309CS..Hα-helixtrans-63.3-43.1177.500000112.6L588 V592 I606 Q607 N612 G613 Q614L588-A610 HydrophobicContact CG-CB 4.43Å; V592-A610 HydrophobicContact CB-CB 4.04Å; V592-A610 HydrophobicContact CG1-CB 4.14Å; V592-A610 HydrophobicContact CG2-CB 3.82Å; I606-A610 WeakPolarHBondContact O-CB 3.43Å; I606-A610 PolarHBondContact O-N 3.04Å; Q607-A610 PolarHBondContact O-N 3.25Å; A610-N612 VanDerWaalsContact C-N 3.35Å; A610-N612 PolarHBondContact O-N 3.39Å; A610-G613 PolarHBondContact O-N 3.06Å; A610-Q614 VanDerWaalsContact O-CB 3.31Å; A610-Q614 WeakPolarHBondContact O-CB 3.24Å; A610-Q614 PolarHBondContact O-N 3.22Å
611Q77.6Confident78.1Confident96.3333 Ų96.333369.4 Ų69.445%0.4533%0.325SS..Hα-helixtrans-62.1-43.1176.1-76.8174.9-7.400112Q607 L608 C609 Q614 K615Q607-Q611 HydrophobicContact CG-CG 4.47Å; Q607-Q611 WeakPolarHBondContact O-CB 3.25Å; Q607-Q611 VanDerWaalsContact O-CG 3.27Å; Q607-Q611 WeakPolarHBondContact O-CG 3.31Å; Q607-Q611 PolarHBondContact O-N 3.09Å; L608-Q611 PolarHBondContact O-N 3.16Å; C609-Q611 PolarHBondContact O-N 2.97Å; Q611-Q614 WeakPolarHBondContact O-CB 3.28Å; Q611-Q614 PolarHBondContact O-N 3.16Å; Q611-Q614 VanDerWaalsContact O-N 3.15Å; Q611-K615 PolarHBondContact O-N 2.95Å; Q611-K615 VanDerWaalsContact O-N 3.09Å
612N71.4Confident77.8Confident66.6667 Ų66.666762 Ų6236%0.35729%0.294SS..Hα-helixtrans-65.8-41.5177.1-73.9-25000111.8Y559 L608 C609 A610 Q614 K615 F616Y559-N612 HydrophobicContact CE2-CB 3.78Å; Y559-N612 PolarHBondContact OH-ND2 3.35Å; L608-N612 WeakPolarHBondContact O-CB 3.38Å; L608-N612 VanDerWaalsContact O-CG 3.25Å; L608-N612 PolarHBondContact O-N 3.02Å; L608-N612 PolarHBondContact O-ND2 3.04Å; C609-N612 PolarHBondContact O-N 3.26Å; A610-N612 VanDerWaalsContact C-N 3.35Å; A610-N612 PolarHBondContact O-N 3.39Å; N612-Q614 VanDerWaalsContact C-N 3.31Å; N612-Q614 PolarHBondContact O-N 3.12Å; N612-K615 WeakPolarHBondContact O-CB 3.23Å; N612-K615 PolarHBondContact O-N 3.33Å; N612-F616 VanDerWaalsContact O-CD2 3.24Å; N612-F616 WeakPolarHBondContact O-CD2 3.31Å; N612-F616 PolarHBondContact O-N 3.49Å
613G70.6Confident77.5Confident4.33333 Ų4.3333361.1 Ų61.15%0.04529%0.29CS..Hα-helixtrans-58.2-45.1170.400000111.6Y581 C609 A610 K615 F616 L617Y581-G613 VanDerWaalsContact OH-C 3.25Å; Y581-G613 WeakPolarHBondContact OH-CA 3.29Å; Y581-G613 PolarHBondContact OH-O 3.17Å; C609-G613 PolarHBondContact O-N 2.98Å; A610-G613 PolarHBondContact O-N 3.06Å; G613-K615 VanDerWaalsContact C-N 3.31Å; G613-K615 PolarHBondContact O-N 2.85Å; G613-K615 VanDerWaalsContact O-N 3.16Å; G613-F616 PolarHBondContact O-N 3.27Å; G613-L617 PolarHBondContact O-N 3.25Å; G613-L617 VanDerWaalsContact O-N 3.12Å
614Q75.7Confident77.2Confident99.6667 Ų99.666762.1 Ų62.147%0.46629%0.29SS..Hα-helixtrans-64.2-32.4-178.2-167.2166.1-5.500113.5A610 Q611 N612 F616 L617A610-Q614 VanDerWaalsContact O-CB 3.31Å; A610-Q614 WeakPolarHBondContact O-CB 3.24Å; A610-Q614 PolarHBondContact O-N 3.22Å; Q611-Q614 WeakPolarHBondContact O-CB 3.28Å; Q611-Q614 PolarHBondContact O-N 3.16Å; Q611-Q614 VanDerWaalsContact O-N 3.15Å; N612-Q614 VanDerWaalsContact C-N 3.31Å; N612-Q614 PolarHBondContact O-N 3.12Å; Q614-F616 VanDerWaalsContact C-N 3.28Å; Q614-F616 PolarHBondContact O-N 2.96Å; Q614-L617 WeakPolarHBondContact O-CB 3.36Å; Q614-L617 PolarHBondContact O-N 2.93Å
615K74.6Confident77.2Confident136 Ų13660.9 Ų60.959%0.59128%0.284SS*.Hα-helixtrans-55.2-41.2176.9-144.3179-1801780112.8Q611 N612 G613Q611-K615 PolarHBondContact O-N 2.95Å; Q611-K615 VanDerWaalsContact O-N 3.09Å; N612-K615 WeakPolarHBondContact O-CB 3.23Å; N612-K615 PolarHBondContact O-N 3.33Å; G613-K615 VanDerWaalsContact C-N 3.31Å; G613-K615 PolarHBondContact O-N 2.85Å; G613-K615 VanDerWaalsContact O-N 3.16Å
616F73.4Confident77.2Confident34.6667 Ų34.666754.9 Ų54.915%0.15226%0.263CS..Hα-helixtrans-100.2-5.2-176.8-59.2-70.8000114.2V562 Y581 N612 G613 Q614 K618 Y619 A620 W674 L680V562-F616 HydrophobicContact CG1-CD2 4.4Å; Y581-F616 HydrophobicContact CE2-CB 4.12Å; N612-F616 VanDerWaalsContact O-CD2 3.24Å; N612-F616 WeakPolarHBondContact O-CD2 3.31Å; N612-F616 PolarHBondContact O-N 3.49Å; G613-F616 PolarHBondContact O-N 3.27Å; Q614-F616 VanDerWaalsContact C-N 3.28Å; Q614-F616 PolarHBondContact O-N 2.96Å; F616-K618 VanDerWaalsContact C-N 3.32Å; F616-K618 PolarHBondContact O-N 3.15Å; F616-Y619 HydrophobicContact CD1-CD2 4.27Å; F616-Y619 HydrophobicContact CD1-CE2 4.48Å; F616-Y619 PolarHBondContact O-N 3.11Å; F616-Y619 VanDerWaalsContact O-N 3.15Å; F616-A620 WeakPolarHBondContact O-CB 3.48Å; F616-A620 PolarHBondContact O-N 3.11Å; F616-W674 HydrophobicContact CB-CE3 3.88Å; F616-W674 HydrophobicContact CB-CZ3 4.04Å; F616-W674 AromaticContact CD1-CE3 3.78Å; F616-W674 HydrophobicContact CD1-CE3 4.08Å; F616-W674 HydrophobicContact CD1-CZ3 4.35Å; F616-W674 VanDerWaalsContact CE1-O 3.23Å; F616-W674 WeakPolarHBondContact CE1-O 3.45Å; F616-W674 AromaticContact CG-CE3 3.86Å; F616-W674 HydrophobicContact CG-CE3 4.1Å; F616-W674 HydrophobicContact CG-CZ3 4.36Å; F616-W674 WeakPolarHBondContact CZ-O 3.17Å; F616-L680 HydrophobicContact CD1-CD2 4.1Å
617L75.2Confident77.1Confident33 Ų3355.1 Ų55.117%0.17327%0.265CS..Hα-helixtrans-56.9-42.8-177.2-179.563000112.7Y581 V586 G613 Q614 Y619 A620 L621Y581-L617 HydrophobicContact CE1-CD1 4.06Å; V586-L617 HydrophobicContact CB-CD1 4.32Å; V586-L617 HydrophobicContact CG1-CD1 4.01Å; V586-L617 HydrophobicContact CG2-CD1 3.67Å; G613-L617 PolarHBondContact O-N 3.25Å; G613-L617 VanDerWaalsContact O-N 3.12Å; Q614-L617 WeakPolarHBondContact O-CB 3.36Å; Q614-L617 PolarHBondContact O-N 2.93Å; L617-Y619 VanDerWaalsContact C-N 3.3Å; L617-Y619 PolarHBondContact O-N 3.11Å; L617-A620 PolarHBondContact O-N 3.07Å; L617-L621 HydrophobicContact CD1-CD1 4.1Å; L617-L621 HydrophobicContact CD1-CG 4.1Å; L617-L621 HydrophobicContact CD2-CD1 4.44Å; L617-L621 HydrophobicContact CG-CD1 3.94Å; L617-L621 HydrophobicContact CG-CG 4.38Å; L617-L621 WeakPolarHBondContact O-CB 3.47Å; L617-L621 VanDerWaalsContact O-CG 3.26Å; L617-L621 WeakPolarHBondContact O-CG 3.45Å; L617-L621 PolarHBondContact O-N 3.21Å
618K78.8Confident77Confident141.667 Ų141.66757.6 Ų57.662%0.61628%0.276SS*.Hα-helixtrans-57.1-47.8178.8-178.5-174.9176.2-171.10111F616 L621 I622F616-K618 VanDerWaalsContact C-N 3.32Å; F616-K618 PolarHBondContact O-N 3.15Å; K618-L621 PolarHBondContact O-N 3.36Å; K618-I622 HydrophobicContact CG-CD1 4.2Å; K618-I622 VanDerWaalsContact O-CG1 3.3Å; K618-I622 WeakPolarHBondContact O-CG1 3.29Å; K618-I622 PolarHBondContact O-N 3.18Å; K618-I622 VanDerWaalsContact O-N 3.12Å
619Y77.7Confident77Confident28.6667 Ų28.666755.2 Ų55.211%0.11226%0.262CS..Hα-helixtrans-69-42.9-179-54.4-65.2000111.6F616 L617 L621 I622 M623 S677 L680 E681 L684F616-Y619 HydrophobicContact CD1-CD2 4.27Å; F616-Y619 HydrophobicContact CD1-CE2 4.48Å; F616-Y619 PolarHBondContact O-N 3.11Å; F616-Y619 VanDerWaalsContact O-N 3.15Å; L617-Y619 VanDerWaalsContact C-N 3.3Å; L617-Y619 PolarHBondContact O-N 3.11Å; Y619-L621 VanDerWaalsContact C-N 3.35Å; Y619-L621 PolarHBondContact O-N 3.35Å; Y619-I622 PolarHBondContact O-N 3.24Å; Y619-M623 WeakPolarHBondContact O-CB 3.3Å; Y619-M623 WeakPolarHBondContact O-CE 3.26Å; Y619-M623 VanDerWaalsContact O-CG 3.26Å; Y619-M623 WeakPolarHBondContact O-CG 3.36Å; Y619-M623 PolarHBondContact O-N 3.21Å; Y619-M623 VanDerWaalsContact O-N 3.07Å; Y619-S677 PolarHBondContact OH-OG 2.93Å; Y619-S677 VanDerWaalsContact OH-OG 3.1Å; Y619-L680 VanDerWaalsContact CB-CD2 3.44Å; Y619-L680 HydrophobicContact CD1-CD2 3.92Å; Y619-L680 HydrophobicContact CD2-CD2 3.65Å; Y619-L680 HydrophobicContact CE1-CD2 4.45Å; Y619-L680 HydrophobicContact CE2-CD2 4.04Å; Y619-L680 HydrophobicContact CG-CD2 3.37Å; Y619-L680 VanDerWaalsContact CG-CD2 3.41Å; Y619-L680 HydrophobicContact CG-CG 4.45Å; Y619-E681 HydrophobicContact CD1-CG 4.42Å; Y619-E681 HydrophobicContact CE1-CG 3.52Å; Y619-E681 VanDerWaalsContact CE1-CG 3.49Å; Y619-E681 PolarHBondContact OH-OE1 3.14Å; Y619-E681 VanDerWaalsContact OH-OE1 3.09Å; Y619-L684 HydrophobicContact CD1-CD1 3.28Å; Y619-L684 HydrophobicContact CD1-CD2 3.86Å; Y619-L684 HydrophobicContact CE1-CD1 4.19Å; Y619-L684 HydrophobicContact CG-CD1 3.88Å
620A75.5Confident77Confident1 Ų156.4 Ų56.41%0.00826%0.264CS..Hα-helixtrans-61.4-4017800000113Y581 F616 L617 M623 K624 W674Y581-A620 HydrophobicContact CD1-CB 3.68Å; Y581-A620 VanDerWaalsContact CD1-CB 3.47Å; Y581-A620 HydrophobicContact CD2-CB 3.65Å; Y581-A620 HydrophobicContact CE1-CB 4.1Å; Y581-A620 HydrophobicContact CE2-CB 4.07Å; Y581-A620 HydrophobicContact CG-CB 3.44Å; F616-A620 WeakPolarHBondContact O-CB 3.48Å; F616-A620 PolarHBondContact O-N 3.11Å; L617-A620 PolarHBondContact O-N 3.07Å; A620-M623 PolarHBondContact O-N 3.13Å; A620-K624 WeakPolarHBondContact O-CB 3.43Å; A620-K624 WeakPolarHBondContact O-CG 3.35Å; A620-K624 PolarHBondContact O-N 3.35Å; A620-W674 HydrophobicContact CB-CH2 3.82Å; A620-W674 HydrophobicContact CB-CZ3 4.2Å
621L77.6Confident77Confident87 Ų8759.3 Ų59.346%0.45528%0.279SS..Hα-helixtrans-64.1-44.9176.9-74.7169.5000111.9L617 K618 Y619 M623 K624 Q625L617-L621 HydrophobicContact CD1-CD1 4.1Å; L617-L621 HydrophobicContact CD1-CG 4.1Å; L617-L621 HydrophobicContact CD2-CD1 4.44Å; L617-L621 HydrophobicContact CG-CD1 3.94Å; L617-L621 HydrophobicContact CG-CG 4.38Å; L617-L621 WeakPolarHBondContact O-CB 3.47Å; L617-L621 VanDerWaalsContact O-CG 3.26Å; L617-L621 WeakPolarHBondContact O-CG 3.45Å; L617-L621 PolarHBondContact O-N 3.21Å; K618-L621 PolarHBondContact O-N 3.36Å; Y619-L621 VanDerWaalsContact C-N 3.35Å; Y619-L621 PolarHBondContact O-N 3.35Å; L621-M623 VanDerWaalsContact C-N 3.3Å; L621-M623 PolarHBondContact O-N 3.26Å; L621-K624 PolarHBondContact O-N 3.07Å; L621-Q625 WeakPolarHBondContact O-CG 3.39Å; L621-Q625 PolarHBondContact O-N 3.08Å
622I78.2Confident77.1Confident38 Ų3857.2 Ų57.220%0.19527%0.271CS..Hα-helixtrans-63.7-41.8177.3-61.9166.2000110K618 Y619 K624 Q625 V626 L684 K688K618-I622 HydrophobicContact CG-CD1 4.2Å; K618-I622 VanDerWaalsContact O-CG1 3.3Å; K618-I622 WeakPolarHBondContact O-CG1 3.29Å; K618-I622 PolarHBondContact O-N 3.18Å; K618-I622 VanDerWaalsContact O-N 3.12Å; Y619-I622 PolarHBondContact O-N 3.24Å; I622-K624 VanDerWaalsContact C-N 3.31Å; I622-K624 PolarHBondContact O-N 3.49Å; I622-Q625 WeakPolarHBondContact O-CB 3.44Å; I622-Q625 PolarHBondContact O-N 3.11Å; I622-Q625 VanDerWaalsContact O-N 3.14Å; I622-V626 HydrophobicContact CG2-CG2 4.48Å; I622-V626 WeakPolarHBondContact O-CG2 3.38Å; I622-V626 PolarHBondContact O-N 3.18Å; I622-L684 HydrophobicContact CB-CD1 4.11Å; I622-L684 HydrophobicContact CB-CD2 4.08Å; I622-L684 HydrophobicContact CD1-CD2 3.89Å; I622-L684 HydrophobicContact CG2-CD1 3.64Å; I622-L684 HydrophobicContact CG2-CD2 3.89Å; I622-L684 HydrophobicContact CG2-CG 4.08Å; I622-K688 HydrophobicContact CG2-CD 4.44Å; I622-K688 HydrophobicContact CG2-CG 4.44Å
623M78.3Confident77.1Confident0.333333 Ų0.33333355.1 Ų55.10%0.00226%0.263CS..Hα-helixtrans-64.6-37.6176.1-70.2176.1-147.900112.4V567 M568 V579 Y619 A620 L621 Q625 V626 A627 W674 L680 L684V567-M623 HydrophobicContact CG1-CE 3.47Å; V567-M623 HydrophobicContact CG1-SD 3.08Å; V567-M623 WeakPolarHBondContact CG1-SD 3.34Å; M568-M623 HydrophobicContact CE-CB 3.56Å; M568-M623 VanDerWaalsContact CE-CB 3.45Å; M568-M623 HydrophobicContact CE-CG 3.47Å; M568-M623 VanDerWaalsContact CE-CG 3.47Å; M568-M623 HydrophobicContact CE-SD 3.87Å; M568-M623 HydrophobicContact SD-CB 4.31Å; V579-M623 HydrophobicContact CG1-CB 4.1Å; V579-M623 HydrophobicContact CG2-CB 3.88Å; Y619-M623 WeakPolarHBondContact O-CB 3.3Å; Y619-M623 WeakPolarHBondContact O-CE 3.26Å; Y619-M623 VanDerWaalsContact O-CG 3.26Å; Y619-M623 WeakPolarHBondContact O-CG 3.36Å; Y619-M623 PolarHBondContact O-N 3.21Å; Y619-M623 VanDerWaalsContact O-N 3.07Å; A620-M623 PolarHBondContact O-N 3.13Å; L621-M623 VanDerWaalsContact C-N 3.3Å; L621-M623 PolarHBondContact O-N 3.26Å; M623-Q625 VanDerWaalsContact C-N 3.3Å; M623-Q625 PolarHBondContact O-N 3.13Å; M623-V626 PolarHBondContact O-N 3.29Å; M623-A627 VanDerWaalsContact O-CB 3.32Å; M623-A627 WeakPolarHBondContact O-CB 3.3Å; M623-A627 PolarHBondContact O-N 2.99Å; M623-W674 HydrophobicContact CE-CH2 3.46Å; M623-W674 VanDerWaalsContact CE-CH2 3.46Å; M623-W674 HydrophobicContact CE-CZ2 4.42Å; M623-W674 HydrophobicContact CE-CZ3 3.53Å; M623-W674 HydrophobicContact SD-CH2 3.99Å; M623-W674 HydrophobicContact SD-CZ3 4.47Å; M623-L680 HydrophobicContact CE-CD1 4.07Å; M623-L680 HydrophobicContact CE-CD2 3.88Å; M623-L680 HydrophobicContact CE-CG 3.99Å; M623-L684 HydrophobicContact CE-CB 4.47Å; M623-L684 HydrophobicContact CE-CD1 3.87Å; M623-L684 HydrophobicContact CE-CD2 3.74Å; M623-L684 HydrophobicContact CE-CG 3.52Å; M623-L684 HydrophobicContact CG-CD1 3.48Å; M623-L684 VanDerWaalsContact CG-CD1 3.43Å; M623-L684 HydrophobicContact CG-CD2 3.67Å; M623-L684 HydrophobicContact CG-CG 4.48Å; M623-L684 HydrophobicContact SD-CD1 4.35Å
624K80.2Confident77Confident62 Ų6262.2 Ų62.227%0.2730%0.295SS..Hα-helixtrans-63.6-37.1173.5-78.1-176.1177.8-172.80111.3V579 Y581 D583 A620 L621 I622 H628V579-K624 HydrophobicContact CB-CG 3.93Å; V579-K624 HydrophobicContact CG1-CG 4.37Å; V579-K624 HydrophobicContact CG2-CG 3.96Å; Y581-K624 PolarHBondContact O-NZ 2.81Å; Y581-K624 VanDerWaalsContact O-NZ 3.11Å; D583-K624 IonicContact OD1-NZ 3.53Å; D583-K624 PolarHBondContact OD1-NZ 2.79Å; D583-K624 IonicContact OD2-NZ 3.44Å; A620-K624 WeakPolarHBondContact O-CB 3.43Å; A620-K624 WeakPolarHBondContact O-CG 3.35Å; A620-K624 PolarHBondContact O-N 3.35Å; L621-K624 PolarHBondContact O-N 3.07Å; I622-K624 VanDerWaalsContact C-N 3.31Å; I622-K624 PolarHBondContact O-N 3.49Å; K624-H628 VanDerWaalsContact O-CB 3.26Å; K624-H628 WeakPolarHBondContact O-CB 3.39Å; K624-H628 PolarHBondContact O-N 3.01Å
625Q79.3Confident76.8Confident133.333 Ų133.33362 Ų6262%0.62331%0.31SS*.Hα-helixtrans-64.7-44.2173.2-70.2172.3-13.800111.9L621 I622 M623 H628 F629L621-Q625 WeakPolarHBondContact O-CG 3.39Å; L621-Q625 PolarHBondContact O-N 3.08Å; I622-Q625 WeakPolarHBondContact O-CB 3.44Å; I622-Q625 PolarHBondContact O-N 3.11Å; I622-Q625 VanDerWaalsContact O-N 3.14Å; M623-Q625 VanDerWaalsContact C-N 3.3Å; M623-Q625 PolarHBondContact O-N 3.13Å; Q625-H628 PolarHBondContact O-N 3.26Å; Q625-F629 WeakPolarHBondContact O-CB 3.43Å; Q625-F629 PolarHBondContact O-N 3.18Å
626V80.5Confident76.8Confident9.66667 Ų9.6666761 Ų616%0.05931%0.308CS..Hα-helixtrans-64.9-42177.21750000111.3M568 I622 M623 H628 F629 Y630 F652 L687 A691M568-V626 HydrophobicContact CE-CB 4.46Å; M568-V626 HydrophobicContact CE-CG1 4.44Å; I622-V626 HydrophobicContact CG2-CG2 4.48Å; I622-V626 WeakPolarHBondContact O-CG2 3.38Å; I622-V626 PolarHBondContact O-N 3.18Å; M623-V626 PolarHBondContact O-N 3.29Å; V626-H628 VanDerWaalsContact C-N 3.33Å; V626-F629 WeakPolarHBondContact O-CB 3.42Å; V626-F629 PolarHBondContact O-N 3.24Å; V626-Y630 WeakPolarHBondContact O-CB 3.47Å; V626-Y630 PolarHBondContact O-N 2.91Å; V626-F652 HydrophobicContact CG1-CE2 4.3Å; V626-F652 HydrophobicContact CG1-CZ 3.69Å; V626-L687 HydrophobicContact CG1-CB 4.39Å; V626-A691 HydrophobicContact CG1-CB 4.38Å; V626-A691 HydrophobicContact CG2-CB 4.49Å
627A78.5Confident77Confident5.33333 Ų5.3333360.2 Ų60.24%0.04431%0.306CS..Hα-helixtrans-64.2-40.2175.300000111.9M577 V579 M623 Y630 N631M577-A627 HydrophobicContact CB-CB 4.03Å; M577-A627 HydrophobicContact CG-CB 3.84Å; M577-A627 VanDerWaalsContact SD-CA 3.54Å; M577-A627 HydrophobicContact SD-CB 3.78Å; V579-A627 HydrophobicContact CG2-CB 4Å; M623-A627 VanDerWaalsContact O-CB 3.32Å; M623-A627 WeakPolarHBondContact O-CB 3.3Å; M623-A627 PolarHBondContact O-N 2.99Å; A627-Y630 PolarHBondContact O-N 3.38Å; A627-N631 WeakPolarHBondContact O-CB 3.45Å; A627-N631 PolarHBondContact O-N 3.22Å; A627-N631 PolarHBondContact O-ND2 3.16Å; A627-N631 VanDerWaalsContact O-ND2 3.16Å; A627-N631 PolarHBondContact O-OD1 2.99Å
628H80.6Confident77.3Confident116.667 Ų116.66761.7 Ų61.754%0.5431%0.314SS..Hα-helixtrans-64.3-44.3174.2-175.438000112K624 Q625 V626 Y630 N631 N632K624-H628 VanDerWaalsContact O-CB 3.26Å; K624-H628 WeakPolarHBondContact O-CB 3.39Å; K624-H628 PolarHBondContact O-N 3.01Å; Q625-H628 PolarHBondContact O-N 3.26Å; V626-H628 VanDerWaalsContact C-N 3.33Å; H628-Y630 VanDerWaalsContact C-N 3.31Å; H628-Y630 PolarHBondContact O-N 3.24Å; H628-N631 PolarHBondContact O-N 2.97Å; H628-N632 PolarHBondContact CE1-ND2 3.02Å; H628-N632 PolarHBondContact NE2-ND2 2.94Å; H628-N632 WeakPolarHBondContact O-CB 3.22Å; H628-N632 PolarHBondContact O-N 3.33Å; H628-N632 VanDerWaalsContact O-N 3.12Å
629F78.4Confident77.5Confident44.6667 Ų44.666759.8 Ų59.820%0.19632%0.316CS..Hα-helixtrans-56.4-47.4173.8171.2-99.6000111.2Q625 V626 N632 A633 F652 A691 T694 A695Q625-F629 WeakPolarHBondContact O-CB 3.43Å; Q625-F629 PolarHBondContact O-N 3.18Å; V626-F629 WeakPolarHBondContact O-CB 3.42Å; V626-F629 PolarHBondContact O-N 3.24Å; F629-N632 PolarHBondContact O-N 2.99Å; F629-A633 WeakPolarHBondContact O-CA 3.43Å; F629-A633 VanDerWaalsContact O-CB 3.24Å; F629-A633 WeakPolarHBondContact O-CB 3.37Å; F629-A633 PolarHBondContact O-N 3.13Å; F629-F652 HydrophobicContact CD1-CE1 4.14Å; F629-F652 HydrophobicContact CD1-CZ 4.43Å; F629-F652 HydrophobicContact CE1-CE1 4.23Å; F629-A691 HydrophobicContact CD1-CB 3.86Å; F629-A691 HydrophobicContact CE1-CB 4.02Å; F629-A691 WeakPolarHBondContact CZ-O 3.4Å; F629-T694 HydrophobicContact CE1-CG2 4.23Å; F629-T694 HydrophobicContact CZ-CG2 4.12Å; F629-A695 HydrophobicContact CE2-CB 3.69Å; F629-A695 HydrophobicContact CZ-CB 3.75Å
630Y75.8Confident77.9Confident42 Ų4259.4 Ų59.417%0.16532%0.317CS..Hα-helixtrans-62.9-47.7177.6-176.1-94.2000112.5L570 M577 V626 A627 H628 N632 A633 F652 E653 I656L570-Y630 HydrophobicContact CD1-CE1 3.92Å; M577-Y630 HydrophobicContact CB-CD1 4.15Å; M577-Y630 HydrophobicContact CE-CD1 3.7Å; M577-Y630 HydrophobicContact CE-CD2 3.98Å; M577-Y630 HydrophobicContact CE-CE1 4.04Å; M577-Y630 HydrophobicContact CE-CE2 4.36Å; M577-Y630 HydrophobicContact CE-CG 3.5Å; V626-Y630 WeakPolarHBondContact O-CB 3.47Å; V626-Y630 PolarHBondContact O-N 2.91Å; A627-Y630 PolarHBondContact O-N 3.38Å; H628-Y630 VanDerWaalsContact C-N 3.31Å; H628-Y630 PolarHBondContact O-N 3.24Å; Y630-N632 PolarHBondContact O-N 3.15Å; Y630-A633 WeakPolarHBondContact O-CB 3.41Å; Y630-A633 PolarHBondContact O-N 3.35Å; Y630-A633 VanDerWaalsContact O-N 3.16Å; Y630-F652 AromaticContact CD2-CD1 3.34Å; Y630-F652 HydrophobicContact CD2-CD1 3.34Å; Y630-F652 VanDerWaalsContact CD2-CD1 3.49Å; Y630-F652 AromaticContact CD2-CE1 3.35Å; Y630-F652 HydrophobicContact CD2-CE1 3.35Å; Y630-F652 VanDerWaalsContact CD2-CE1 3.43Å; Y630-F652 HydrophobicContact CD2-CG 4.33Å; Y630-F652 HydrophobicContact CD2-CZ 4.38Å; Y630-F652 AromaticContact CE2-CD1 3.73Å; Y630-F652 HydrophobicContact CE2-CD1 3.73Å; Y630-F652 VanDerWaalsContact CE2-CD1 3.49Å; Y630-F652 AromaticContact CE2-CE1 3.94Å; Y630-F652 HydrophobicContact CE2-CE1 4.17Å; Y630-F652 HydrophobicContact CE2-CG 4.47Å; Y630-F652 HydrophobicContact CG-CD1 4.26Å; Y630-F652 AromaticContact CG-CE1 3.89Å; Y630-F652 HydrophobicContact CG-CE1 3.99Å; Y630-E653 HydrophobicContact CE2-CG 4.29Å; Y630-E653 WeakPolarHBondContact OH-CG 3.35Å; Y630-E653 PolarHBondContact OH-OE1 3.36Å; Y630-I656 HydrophobicContact CD2-CD1 4.15Å; Y630-I656 HydrophobicContact CE2-CD1 4.07Å
631N79.1Confident78.4Confident63.6667 Ų63.666759.5 Ų59.534%0.3432%0.317SS..Hα-helixtrans-64.3-24.7-178.4-66.8-19.8000112.8T576 M577 A627 H628T576-N631 WeakPolarHBondContact CA-OD1 3.45Å; M577-N631 PolarHBondContact N-OD1 3.06Å; M577-N631 PolarHBondContact O-ND2 3.09Å; M577-N631 VanDerWaalsContact O-ND2 3.13Å; A627-N631 WeakPolarHBondContact O-CB 3.45Å; A627-N631 PolarHBondContact O-N 3.22Å; A627-N631 PolarHBondContact O-ND2 3.16Å; A627-N631 VanDerWaalsContact O-ND2 3.16Å; A627-N631 PolarHBondContact O-OD1 2.99Å; H628-N631 PolarHBondContact O-N 2.97Å
632N79Confident78.7Confident53 Ų5359.1 Ų59.128%0.28331%0.313SS..Hα-helixtrans-99.8-11.6177.7-65.9-3.8000113.7H628 F629 Y630 E634 A635 E636H628-N632 PolarHBondContact CE1-ND2 3.02Å; H628-N632 PolarHBondContact NE2-ND2 2.94Å; H628-N632 WeakPolarHBondContact O-CB 3.22Å; H628-N632 PolarHBondContact O-N 3.33Å; H628-N632 VanDerWaalsContact O-N 3.12Å; F629-N632 PolarHBondContact O-N 2.99Å; Y630-N632 PolarHBondContact O-N 3.15Å; N632-E634 VanDerWaalsContact C-N 3.27Å; N632-E634 PolarHBondContact O-N 3.35Å; N632-E634 VanDerWaalsContact O-N 3.17Å; N632-A635 WeakPolarHBondContact O-CA 3.4Å; N632-A635 WeakPolarHBondContact O-CB 3.45Å; N632-A635 PolarHBondContact O-N 3.42Å; N632-A635 VanDerWaalsContact O-N 3.13Å; N632-E636 PolarHBondContact O-N 3.07Å; N632-E636 VanDerWaalsContact O-N 3.07Å
633A72.2Confident79.1Confident23 Ų2358.4 Ų58.419%0.1931%0.313CS..Hα-helixtrans-59-35.8-172.100000112.6F629 Y630 A635 E636 V637F629-A633 WeakPolarHBondContact O-CA 3.43Å; F629-A633 VanDerWaalsContact O-CB 3.24Å; F629-A633 WeakPolarHBondContact O-CB 3.37Å; F629-A633 PolarHBondContact O-N 3.13Å; Y630-A633 WeakPolarHBondContact O-CB 3.41Å; Y630-A633 PolarHBondContact O-N 3.35Å; Y630-A633 VanDerWaalsContact O-N 3.16Å; A633-A635 VanDerWaalsContact C-N 3.35Å; A633-E636 PolarHBondContact O-N 3.26Å; A633-V637 VanDerWaalsContact O-CG2 3.28Å; A633-V637 WeakPolarHBondContact O-CG2 3.2Å; A633-V637 PolarHBondContact O-N 2.96Å
634E68.2Low79.4Confident152.667 Ų152.66758.7 Ų58.771%0.71331%0.314SS*.Hα-helixtrans-65.9-37.9176.6-171.9179.5-179.300112.3N632N632-E634 VanDerWaalsContact C-N 3.27Å; N632-E634 PolarHBondContact O-N 3.35Å; N632-E634 VanDerWaalsContact O-N 3.17Å
635A72.3Confident79.6Confident95.3333 Ų95.333356.5 Ų56.579%0.78831%0.305SS*.Hα-helixtrans-75.2-26-179.800000113.1N632 A633N632-A635 WeakPolarHBondContact O-CA 3.4Å; N632-A635 WeakPolarHBondContact O-CB 3.45Å; N632-A635 PolarHBondContact O-N 3.42Å; N632-A635 VanDerWaalsContact O-N 3.13Å; A633-A635 VanDerWaalsContact C-N 3.35Å
636E72.9Confident79.6Confident116.333 Ų116.33353.6 Ų53.654%0.54429%0.294SS..Hα-helixtrans-83.9-19.2178.8-69.8-174-179.800113.5N632 A633N632-E636 PolarHBondContact O-N 3.07Å; N632-E636 VanDerWaalsContact O-N 3.07Å; A633-E636 PolarHBondContact O-N 3.26Å
637V78.2Confident79.5Confident17.6667 Ų17.666757.7 Ų57.711%0.10732%0.315CS..SBendtrans-96.6125.1-177.5178.30000110.6A633 L641 Q642 M645A633-V637 VanDerWaalsContact O-CG2 3.28Å; A633-V637 WeakPolarHBondContact O-CG2 3.2Å; A633-V637 PolarHBondContact O-N 2.96Å; V637-L641 HydrophobicContact CG1-CB 3.97Å; V637-Q642 HydrophobicContact CB-CG 4.42Å; V637-Q642 HydrophobicContact CG1-CG 3.95Å; V637-M645 HydrophobicContact CG1-CG 4.08Å; V637-M645 HydrophobicContact CG2-CG 4.38Å
638L81.8Confident79.6Confident64.6667 Ų64.666758.7 Ų58.734%0.33932%0.321SS..  trans-55.4138.4175.3-69.2168.7000111.2C640 L641 Q642 L702L638-C640 VanDerWaalsContact C-N 3.26Å; L638-C640 PolarHBondContact O-N 3.17Å; L638-C640 VanDerWaalsContact O-N 3.1Å; L638-L641 HydrophobicContact CB-CB 4.49Å; L638-L641 HydrophobicContact CB-CD1 4.09Å; L638-L641 HydrophobicContact CB-CG 4.15Å; L638-L641 HydrophobicContact CD1-CD1 4.06Å; L638-L641 HydrophobicContact CG-CD1 4.47Å; L638-L641 WeakPolarHBondContact O-CA 3.37Å; L638-L641 WeakPolarHBondContact O-CB 3.5Å; L638-L641 PolarHBondContact O-N 3.1Å; L638-Q642 PolarHBondContact O-N 3.28Å; L638-L702 HydrophobicContact CD1-CD2 3.66Å; L638-L702 HydrophobicContact CG-CD2 3.87Å
639P82.9Confident79.4Confident100.667 Ų100.66755.1 Ų55.165%0.65431%0.311SS*.G310 helixtrans-51.7-38-177.4-30.235.4000114.8L641 Q642P639-L641 VanDerWaalsContact C-N 3.27Å; P639-L641 PolarHBondContact O-N 3.32Å; P639-Q642 PolarHBondContact O-N 3.06Å
640C85.6Confident79.4Confident20.6667 Ų20.666759.6 Ų59.614%0.1433%0.328CS..G310 helixtrans-71.6-16.7179.162.90000114.3L638 H757L638-C640 VanDerWaalsContact C-N 3.26Å; L638-C640 PolarHBondContact O-N 3.17Å; L638-C640 VanDerWaalsContact O-N 3.1Å; C640-H757 HydrophobicContact CB-CB 4.06Å
641L87.5Confident79.4Confident2 Ų260.1 Ų60.11%0.0134%0.34CS..G310 helixtrans-97.1-14.6178.9-61180000113V637 L638 P639 A643 M644 M645 F701 L702 H705 W754V637-L641 HydrophobicContact CG1-CB 3.97Å; L638-L641 HydrophobicContact CB-CB 4.49Å; L638-L641 HydrophobicContact CB-CD1 4.09Å; L638-L641 HydrophobicContact CB-CG 4.15Å; L638-L641 HydrophobicContact CD1-CD1 4.06Å; L638-L641 HydrophobicContact CG-CD1 4.47Å; L638-L641 WeakPolarHBondContact O-CA 3.37Å; L638-L641 WeakPolarHBondContact O-CB 3.5Å; L638-L641 PolarHBondContact O-N 3.1Å; P639-L641 VanDerWaalsContact C-N 3.27Å; P639-L641 PolarHBondContact O-N 3.32Å; L641-A643 VanDerWaalsContact C-N 3.29Å; L641-A643 PolarHBondContact O-N 3.36Å; L641-M644 HydrophobicContact CD2-SD 4.06Å; L641-M644 WeakPolarHBondContact O-CB 3.28Å; L641-M644 PolarHBondContact O-N 3.02Å; L641-M645 PolarHBondContact O-N 3.26Å; L641-F701 HydrophobicContact CD1-CB 4.11Å; L641-F701 HydrophobicContact CD2-CB 4.32Å; L641-L702 HydrophobicContact CD1-CD2 3.99Å; L641-L702 HydrophobicContact CD1-CG 4.38Å; L641-H705 HydrophobicContact CD1-CB 4.36Å; L641-W754 HydrophobicContact CD2-CB 4.41Å; L641-W754 VanDerWaalsContact CD2-CD1 3.48Å; L641-W754 HydrophobicContact CD2-CD2 3.91Å; L641-W754 HydrophobicContact CD2-CG 3.71Å
642Q83.9Confident79.3Confident79 Ų7957.2 Ų57.237%0.36933%0.325SS..Hα-helixtrans-56.7-40-174.2-71.3178-14.300113V637 L638 P639 M644 M645 L646V637-Q642 HydrophobicContact CB-CG 4.42Å; V637-Q642 HydrophobicContact CG1-CG 3.95Å; L638-Q642 PolarHBondContact O-N 3.28Å; P639-Q642 PolarHBondContact O-N 3.06Å; Q642-M644 VanDerWaalsContact C-N 3.27Å; Q642-M644 PolarHBondContact O-N 3.21Å; Q642-M645 WeakPolarHBondContact O-CB 3.39Å; Q642-M645 PolarHBondContact O-N 3.15Å; Q642-M645 VanDerWaalsContact O-N 3.1Å; Q642-L646 PolarHBondContact O-N 3Å
643A85Confident79.1Confident23.6667 Ų23.666758.2 Ų58.220%0.19633%0.328CS..Hα-helixtrans-60.3-34.3177.800000112.6L641 M645 L646 N750 P753L641-A643 VanDerWaalsContact C-N 3.29Å; L641-A643 PolarHBondContact O-N 3.36Å; A643-M645 VanDerWaalsContact C-N 3.27Å; A643-M645 PolarHBondContact O-N 2.9Å; A643-L646 HydrophobicContact CB-CD1 4.4Å; A643-L646 VanDerWaalsContact O-CB 3.23Å; A643-L646 WeakPolarHBondContact O-CB 3.48Å; A643-L646 WeakPolarHBondContact O-CD1 3.46Å; A643-L646 PolarHBondContact O-N 3.31Å; A643-N750 HydrophobicContact CB-CB 4.33Å; A643-N750 VanDerWaalsContact CB-O 3.29Å; A643-N750 WeakPolarHBondContact CB-O 3.4Å; A643-N750 VanDerWaalsContact O-CB 3.3Å; A643-N750 WeakPolarHBondContact O-CB 3.38Å; A643-N750 VanDerWaalsContact O-CG 3.25Å; A643-N750 PolarHBondContact O-ND2 3.32Å; A643-N750 VanDerWaalsContact O-ND2 3.13Å; A643-P753 HydrophobicContact CB-CG 4.23Å
644M85.3Confident79.2Confident7 Ų763.8 Ų63.83%0.03434%0.344CS..Hα-helixtrans-71.5-22178.7-61.2169.461.600112.4L641 Q642 F701 A741 A746 N750 M751 W754L641-M644 HydrophobicContact CD2-SD 4.06Å; L641-M644 WeakPolarHBondContact O-CB 3.28Å; L641-M644 PolarHBondContact O-N 3.02Å; Q642-M644 VanDerWaalsContact C-N 3.27Å; Q642-M644 PolarHBondContact O-N 3.21Å; M644-F701 HydrophobicContact CB-CD2 4.08Å; M644-F701 HydrophobicContact CB-CE2 3.7Å; M644-F701 HydrophobicContact CB-CZ 4.24Å; M644-F701 HydrophobicContact CE-CD1 3.51Å; M644-F701 VanDerWaalsContact CE-CD1 3.49Å; M644-F701 HydrophobicContact CE-CD2 4.09Å; M644-F701 HydrophobicContact CE-CE1 3.42Å; M644-F701 HydrophobicContact CE-CE2 3.99Å; M644-F701 HydrophobicContact CE-CG 3.87Å; M644-F701 HydrophobicContact CE-CZ 3.68Å; M644-A741 HydrophobicContact CE-CB 4.17Å; M644-A746 HydrophobicContact CB-CB 4.13Å; M644-A746 HydrophobicContact CE-CB 3.7Å; M644-A746 HydrophobicContact CG-CB 4.19Å; M644-N750 HydrophobicContact CG-CB 4.34Å; M644-N750 WeakPolarHBondContact CG-O 3.32Å; M644-M751 HydrophobicContact CE-CE 4.14Å; M644-M751 HydrophobicContact CE-CG 4.06Å; M644-M751 HydrophobicContact CE-SD 4.44Å; M644-M751 HydrophobicContact CG-CG 4.22Å; M644-M751 HydrophobicContact SD-CG 4.09Å; M644-W754 HydrophobicContact CE-CE3 3.77Å; M644-W754 HydrophobicContact CE-CZ3 3.92Å; M644-W754 HydrophobicContact SD-CB 4.09Å; M644-W754 HydrophobicContact SD-CD2 3.99Å; M644-W754 HydrophobicContact SD-CE3 3.59Å; M644-W754 VanDerWaalsContact SD-CE3 3.55Å; M644-W754 HydrophobicContact SD-CG 4.23Å; M644-W754 HydrophobicContact SD-CZ3 4.35Å
645M83.5Confident79.5Confident14.6667 Ų14.666759.7 Ų59.77%0.07233%0.326CS..Hα-helixtrans-89.3-10.7179.6-62.9-61.9-59.300113.7V637 L641 Q642 A643 N647 T648 A649 T694 L697 F701V637-M645 HydrophobicContact CG1-CG 4.08Å; V637-M645 HydrophobicContact CG2-CG 4.38Å; L641-M645 PolarHBondContact O-N 3.26Å; Q642-M645 WeakPolarHBondContact O-CB 3.39Å; Q642-M645 PolarHBondContact O-N 3.15Å; Q642-M645 VanDerWaalsContact O-N 3.1Å; A643-M645 VanDerWaalsContact C-N 3.27Å; A643-M645 PolarHBondContact O-N 2.9Å; M645-N647 VanDerWaalsContact C-N 3.33Å; M645-N647 PolarHBondContact O-N 3.19Å; M645-T648 PolarHBondContact O-N 3.18Å; M645-T648 VanDerWaalsContact O-N 3.11Å; M645-T648 PolarHBondContact O-OG1 3.04Å; M645-A649 PolarHBondContact O-N 3.26Å; M645-A649 VanDerWaalsContact O-N 3.09Å; M645-T694 HydrophobicContact CE-CG2 3.55Å; M645-T694 VanDerWaalsContact CE-O 3.26Å; M645-T694 WeakPolarHBondContact CE-O 3.37Å; M645-L697 HydrophobicContact CE-CB 4.08Å; M645-L697 HydrophobicContact CE-CD2 4.13Å; M645-L697 HydrophobicContact SD-CB 4.2Å; M645-L697 HydrophobicContact SD-CD2 3.65Å; M645-L697 VanDerWaalsContact SD-CD2 3.6Å; M645-L697 HydrophobicContact SD-CG 4.13Å; M645-F701 HydrophobicContact CG-CD2 4.48Å; M645-F701 HydrophobicContact SD-CD2 3.69Å; M645-F701 HydrophobicContact SD-CE2 3.86Å
646L79.5Confident79.3Confident73.3333 Ų73.333356.1 Ų56.138%0.38429%0.294SS..Hα-helixtrans-54.7-44.9-173.4-110.9149.4000113.3Q642 A643 T648 A649 Y650Q642-L646 PolarHBondContact O-N 3Å; A643-L646 HydrophobicContact CB-CD1 4.4Å; A643-L646 VanDerWaalsContact O-CB 3.23Å; A643-L646 WeakPolarHBondContact O-CB 3.48Å; A643-L646 WeakPolarHBondContact O-CD1 3.46Å; A643-L646 PolarHBondContact O-N 3.31Å; L646-T648 VanDerWaalsContact C-N 3.31Å; L646-T648 PolarHBondContact O-N 3.2Å; L646-A649 PolarHBondContact O-N 3.26Å; L646-Y650 HydrophobicContact CB-CD2 4.48Å; L646-Y650 HydrophobicContact CB-CE2 4.27Å; L646-Y650 HydrophobicContact CD1-CE2 4.36Å; L646-Y650 HydrophobicContact CD2-CD2 3.74Å; L646-Y650 HydrophobicContact CD2-CE2 3.87Å; L646-Y650 VanDerWaalsContact CD2-CE2 3.48Å; L646-Y650 HydrophobicContact CG-CD2 3.9Å; L646-Y650 HydrophobicContact CG-CE2 3.68Å; L646-Y650 VanDerWaalsContact O-CD2 3.25Å; L646-Y650 WeakPolarHBondContact O-CD2 3.43Å; L646-Y650 PolarHBondContact O-N 3.06Å
647N79.9Confident78.8Confident94.6667 Ų94.666752.9 Ų52.951%0.50629%0.285SS..Hα-helixtrans-62.3-39.2-179.6-70-19.4000112.2M645 A651 N750M645-N647 VanDerWaalsContact C-N 3.33Å; M645-N647 PolarHBondContact O-N 3.19Å; N647-A651 WeakPolarHBondContact O-CB 3.33Å; N647-A651 PolarHBondContact O-N 3.09Å; N647-A651 VanDerWaalsContact O-N 3.13Å; N647-N750 PolarHBondContact ND2-ND2 3.06Å
648T79.2Confident77.8Confident28.3333 Ų28.333354.7 Ų54.717%0.17431%0.307CS..Hα-helixtrans-72.2-36.4176.450.20000112.4M645 L646 A651 F652 L697M645-T648 PolarHBondContact O-N 3.18Å; M645-T648 VanDerWaalsContact O-N 3.11Å; M645-T648 PolarHBondContact O-OG1 3.04Å; L646-T648 VanDerWaalsContact C-N 3.31Å; L646-T648 PolarHBondContact O-N 3.2Å; T648-A651 PolarHBondContact O-N 3.13Å; T648-F652 WeakPolarHBondContact O-CB 3.43Å; T648-F652 PolarHBondContact O-N 3.07Å; T648-L697 HydrophobicContact CG2-CD1 3.48Å; T648-L697 VanDerWaalsContact CG2-CD1 3.48Å; T648-L697 HydrophobicContact CG2-CD2 3.87Å
649A76.6Confident75.9Confident39.6667 Ų39.666757.5 Ų57.533%0.32832%0.322SS..Hα-helixtrans-63-47.1174.800000111.2M645 L646 A651 F652 E653M645-A649 PolarHBondContact O-N 3.26Å; M645-A649 VanDerWaalsContact O-N 3.09Å; L646-A649 PolarHBondContact O-N 3.26Å; A649-A651 VanDerWaalsContact C-N 3.35Å; A649-A651 PolarHBondContact O-N 3Å; A649-F652 WeakPolarHBondContact O-CA 3.36Å; A649-F652 WeakPolarHBondContact O-CB 3.32Å; A649-F652 PolarHBondContact O-N 3.02Å; A649-F652 VanDerWaalsContact O-N 3.1Å; A649-E653 PolarHBondContact O-N 3Å
650Y78Confident73.9Confident140 Ų14060.7 Ų60.755%0.54933%0.325SS..Hα-helixtrans-61.1-41.3174.9-80.3-59.3000112.9L646 F652 E653 R654L646-Y650 HydrophobicContact CB-CD2 4.48Å; L646-Y650 HydrophobicContact CB-CE2 4.27Å; L646-Y650 HydrophobicContact CD1-CE2 4.36Å; L646-Y650 HydrophobicContact CD2-CD2 3.74Å; L646-Y650 HydrophobicContact CD2-CE2 3.87Å; L646-Y650 VanDerWaalsContact CD2-CE2 3.48Å; L646-Y650 HydrophobicContact CG-CD2 3.9Å; L646-Y650 HydrophobicContact CG-CE2 3.68Å; L646-Y650 VanDerWaalsContact O-CD2 3.25Å; L646-Y650 WeakPolarHBondContact O-CD2 3.43Å; L646-Y650 PolarHBondContact O-N 3.06Å; Y650-F652 VanDerWaalsContact C-N 3.27Å; Y650-F652 PolarHBondContact O-N 3.21Å; Y650-E653 PolarHBondContact O-N 3.15Å; Y650-R654 WeakPolarHBondContact O-CB 3.35Å; Y650-R654 VanDerWaalsContact O-CG 3.26Å; Y650-R654 WeakPolarHBondContact O-CG 3.37Å; Y650-R654 PolarHBondContact O-N 3Å
651A76.2Confident71.6Confident51.6667 Ų51.666763.3 Ų63.343%0.42734%0.344SS..Hα-helixtrans-62.3-37.9175.600000111.7N647 T648 A649 R654 L655N647-A651 WeakPolarHBondContact O-CB 3.33Å; N647-A651 PolarHBondContact O-N 3.09Å; N647-A651 VanDerWaalsContact O-N 3.13Å; T648-A651 PolarHBondContact O-N 3.13Å; A649-A651 VanDerWaalsContact C-N 3.35Å; A649-A651 PolarHBondContact O-N 3Å; A651-R654 PolarHBondContact O-N 3.34Å; A651-L655 WeakPolarHBondContact O-CG 3.48Å; A651-L655 PolarHBondContact O-N 3.06Å
652F76.8Confident69.3Low4 Ų468.4 Ų68.42%0.01838%0.38CS..Hα-helixtrans-67.2-47.4176.7-161.2-113000111.7M577 V626 F629 Y630 T648 A649 Y650 R654 L655 I656 L687 A690 A691M577-F652 HydrophobicContact CE-CE1 3.9Å; V626-F652 HydrophobicContact CG1-CE2 4.3Å; V626-F652 HydrophobicContact CG1-CZ 3.69Å; F629-F652 HydrophobicContact CD1-CE1 4.14Å; F629-F652 HydrophobicContact CD1-CZ 4.43Å; F629-F652 HydrophobicContact CE1-CE1 4.23Å; Y630-F652 AromaticContact CD2-CD1 3.34Å; Y630-F652 HydrophobicContact CD2-CD1 3.34Å; Y630-F652 VanDerWaalsContact CD2-CD1 3.49Å; Y630-F652 AromaticContact CD2-CE1 3.35Å; Y630-F652 HydrophobicContact CD2-CE1 3.35Å; Y630-F652 VanDerWaalsContact CD2-CE1 3.43Å; Y630-F652 HydrophobicContact CD2-CG 4.33Å; Y630-F652 HydrophobicContact CD2-CZ 4.38Å; Y630-F652 AromaticContact CE2-CD1 3.73Å; Y630-F652 HydrophobicContact CE2-CD1 3.73Å; Y630-F652 VanDerWaalsContact CE2-CD1 3.49Å; Y630-F652 AromaticContact CE2-CE1 3.94Å; Y630-F652 HydrophobicContact CE2-CE1 4.17Å; Y630-F652 HydrophobicContact CE2-CG 4.47Å; Y630-F652 HydrophobicContact CG-CD1 4.26Å; Y630-F652 AromaticContact CG-CE1 3.89Å; Y630-F652 HydrophobicContact CG-CE1 3.99Å; T648-F652 WeakPolarHBondContact O-CB 3.43Å; T648-F652 PolarHBondContact O-N 3.07Å; A649-F652 WeakPolarHBondContact O-CA 3.36Å; A649-F652 WeakPolarHBondContact O-CB 3.32Å; A649-F652 PolarHBondContact O-N 3.02Å; A649-F652 VanDerWaalsContact O-N 3.1Å; Y650-F652 VanDerWaalsContact C-N 3.27Å; Y650-F652 PolarHBondContact O-N 3.21Å; F652-R654 VanDerWaalsContact C-N 3.34Å; F652-R654 PolarHBondContact O-N 3.42Å; F652-L655 WeakPolarHBondContact O-CB 3.45Å; F652-L655 PolarHBondContact O-N 2.94Å; F652-L655 VanDerWaalsContact O-N 3.14Å; F652-I656 HydrophobicContact CD1-CD1 3.79Å; F652-I656 VanDerWaalsContact CD1-CD1 3.41Å; F652-I656 HydrophobicContact CD2-CD1 4.16Å; F652-I656 HydrophobicContact CE1-CD1 3.88Å; F652-I656 VanDerWaalsContact CE1-CD1 3.49Å; F652-I656 HydrophobicContact CE2-CD1 4.31Å; F652-I656 HydrophobicContact CG-CD1 4.29Å; F652-I656 HydrophobicContact CZ-CD1 4.45Å; F652-I656 VanDerWaalsContact O-CD1 3.29Å; F652-I656 WeakPolarHBondContact O-CD1 3.41Å; F652-I656 WeakPolarHBondContact O-CG1 3.43Å; F652-I656 PolarHBondContact O-N 3.24Å; F652-L687 HydrophobicContact CE2-CD2 4.05Å; F652-A690 HydrophobicContact CD2-CB 3.59Å; F652-A690 HydrophobicContact CE2-CB 3.96Å; F652-A690 HydrophobicContact CG-CB 4.44Å; F652-A691 HydrophobicContact CE2-CB 4.01Å; F652-A691 HydrophobicContact CZ-CB 4.24Å
653E74.5Confident66.9Low73 Ų7373.2 Ų73.234%0.34140%0.401SS..Hα-helixtrans-61.8-37.5176.3-75-172.9168.800113.1Y630 A649 Y650 L655 I656 S657Y630-E653 HydrophobicContact CE2-CG 4.29Å; Y630-E653 WeakPolarHBondContact OH-CG 3.35Å; Y630-E653 PolarHBondContact OH-OE1 3.36Å; A649-E653 PolarHBondContact O-N 3Å; Y650-E653 PolarHBondContact O-N 3.15Å; E653-L655 VanDerWaalsContact C-N 3.31Å; E653-L655 PolarHBondContact O-N 3.33Å; E653-I656 PolarHBondContact O-N 3.23Å; E653-I656 VanDerWaalsContact O-N 3.15Å; E653-S657 WeakPolarHBondContact O-CB 3.41Å; E653-S657 PolarHBondContact O-N 3.13Å; E653-S657 PolarHBondContact O-OG 3.33Å
654R75.4Confident64.6Low140.667 Ų140.66775.3 Ų75.353%0.53143%0.425SS..Hα-helixtrans-63.5-35.7175.9-77.6-177.568.5-175.5-1.3112.6Y650 A651 F652 I656 G658Y650-R654 WeakPolarHBondContact O-CB 3.35Å; Y650-R654 VanDerWaalsContact O-CG 3.26Å; Y650-R654 WeakPolarHBondContact O-CG 3.37Å; Y650-R654 PolarHBondContact O-N 3Å; A651-R654 PolarHBondContact O-N 3.34Å; F652-R654 VanDerWaalsContact C-N 3.34Å; F652-R654 PolarHBondContact O-N 3.42Å; R654-I656 VanDerWaalsContact C-N 3.3Å; R654-I656 PolarHBondContact O-N 3.28Å; R654-G658 PolarHBondContact O-N 3.1Å
655L74.2Confident62.2Low66 Ų6683.8 Ų83.835%0.34647%0.465SS..Hα-helixtrans-66.4-31.7175.1-75.1167.9000112.2A651 F652 E653 K686 L687 A690A651-L655 WeakPolarHBondContact O-CG 3.48Å; A651-L655 PolarHBondContact O-N 3.06Å; F652-L655 WeakPolarHBondContact O-CB 3.45Å; F652-L655 PolarHBondContact O-N 2.94Å; F652-L655 VanDerWaalsContact O-N 3.14Å; E653-L655 VanDerWaalsContact C-N 3.31Å; E653-L655 PolarHBondContact O-N 3.33Å; L655-K686 HydrophobicContact CD2-CB 4.37Å; L655-L687 HydrophobicContact CB-CD2 4.5Å; L655-A690 HydrophobicContact CD1-CB 3.42Å; L655-A690 VanDerWaalsContact CD1-CB 3.45Å
656I68.3Low59.9Low20.3333 Ų20.333391.1 Ų91.110%0.10450%0.504CS..Hα-helixtrans-86.9-44.4-175.5-63.7155.5000111.9L570 M577 Y630 F652 E653 R654 G658 L687L570-I656 HydrophobicContact CB-CG2 4.34Å; L570-I656 HydrophobicContact CD1-CG2 3.88Å; M577-I656 HydrophobicContact CE-CD1 3.27Å; M577-I656 HydrophobicContact CE-CG1 4.11Å; M577-I656 HydrophobicContact CE-CG2 4.14Å; M577-I656 HydrophobicContact SD-CD1 4.2Å; Y630-I656 HydrophobicContact CD2-CD1 4.15Å; Y630-I656 HydrophobicContact CE2-CD1 4.07Å; F652-I656 HydrophobicContact CD1-CD1 3.79Å; F652-I656 VanDerWaalsContact CD1-CD1 3.41Å; F652-I656 HydrophobicContact CD2-CD1 4.16Å; F652-I656 HydrophobicContact CE1-CD1 3.88Å; F652-I656 VanDerWaalsContact CE1-CD1 3.49Å; F652-I656 HydrophobicContact CE2-CD1 4.31Å; F652-I656 HydrophobicContact CG-CD1 4.29Å; F652-I656 HydrophobicContact CZ-CD1 4.45Å; F652-I656 VanDerWaalsContact O-CD1 3.29Å; F652-I656 WeakPolarHBondContact O-CD1 3.41Å; F652-I656 WeakPolarHBondContact O-CG1 3.43Å; F652-I656 PolarHBondContact O-N 3.24Å; E653-I656 PolarHBondContact O-N 3.23Å; E653-I656 VanDerWaalsContact O-N 3.15Å; R654-I656 VanDerWaalsContact C-N 3.3Å; R654-I656 PolarHBondContact O-N 3.28Å; I656-G658 VanDerWaalsContact C-N 3.34Å; I656-G658 PolarHBondContact O-N 3.33Å; I656-L687 HydrophobicContact CD1-CD2 4.42Å; I656-L687 HydrophobicContact CG1-CD2 3.83Å
657S63.3Low57.7Low50 Ų5092.2 Ų92.235%0.3552%0.518SS..Hα-helixtrans-77.5-18.3-17557.60000113.8E653 L659E653-S657 WeakPolarHBondContact O-CB 3.41Å; E653-S657 PolarHBondContact O-N 3.13Å; E653-S657 PolarHBondContact O-OG 3.33Å; S657-L659 PolarHBondContact O-N 3.39Å; S657-L659 WeakPolarHBondContact OG-CB 3.24Å; S657-L659 VanDerWaalsContact OG-CD1 3.27Å; S657-L659 WeakPolarHBondContact OG-CD1 3.3Å; S657-L659 VanDerWaalsContact OG-CG 3.32Å; S657-L659 WeakPolarHBondContact OG-CG 3.46Å; S657-L659 PolarHBondContact OG-N 3.45Å
658G56.6Low55.7Low55.6667 Ų55.666792.9 Ų92.957%0.57453%0.53SS*.  trans62.318.8-173.500000113.4R654 I656 K660R654-G658 PolarHBondContact O-N 3.1Å; I656-G658 VanDerWaalsContact C-N 3.34Å; I656-G658 PolarHBondContact O-N 3.33Å; G658-K660 PolarHBondContact O-N 3.01Å; G658-K660 VanDerWaalsContact O-N 3.1Å
659L41.6Very low53.8Low123.333 Ų123.33396.2 Ų96.265%0.64656%0.555SS**PPolyproline II helixtrans-69.4113.9-178.4-79163000110.5S657 S661S657-L659 PolarHBondContact O-N 3.39Å; S657-L659 WeakPolarHBondContact OG-CB 3.24Å; S657-L659 VanDerWaalsContact OG-CD1 3.27Å; S657-L659 WeakPolarHBondContact OG-CD1 3.3Å; S657-L659 VanDerWaalsContact OG-CG 3.32Å; S657-L659 WeakPolarHBondContact OG-CG 3.46Å; S657-L659 PolarHBondContact OG-N 3.45Å; L659-S661 PolarHBondContact O-N 3.41Å
660K41.2Very low52.6Low166 Ų166100.4 Ų100.472%0.72257%0.571SS**PPolyproline II helixtrans-58.3133.3175.2-68.7-178.5173.9-1760110.7G658 S667G658-K660 PolarHBondContact O-N 3.01Å; G658-K660 VanDerWaalsContact O-N 3.1Å; K660-S667 PolarHBondContact NZ-O 3.13Å; K660-S667 PolarHBondContact NZ-OG 3.36Å
661S37.7Very low51.5Low77 Ų7797.2 Ų97.254%0.53857%0.568SS.*PPolyproline II helixtrans-63.6136.6157.441.80000108.9L659 H663L659-S661 PolarHBondContact O-N 3.41Å; S661-H663 PolarHBondContact O-N 3.24Å
662S37.9Very low50.9Low109 Ų10995.6 Ų95.676%0.76255%0.553SS**SBendtrans-56.146.6-179.4162.30000115
663H34.3Very low50.5Low178.667 Ų178.66797.1 Ų97.183%0.82756%0.563SS**SBendtrans-169.7113.8176.8-66-61.9000112.6S661S661-H663 PolarHBondContact O-N 3.24Å
664G37.1Very low50.2Low67.6667 Ų67.666793.8 Ų93.870%0.69855%0.547SS*.  trans125.386.5169.500000113.7N666G664-N666 PolarHBondContact O-N 2.83Å
665E35.3Very low49.5Very low187 Ų18793 Ų9387%0.87455%0.549SS*.  trans-66.7135165.8-68.6177.9152.700109.9
666N33.8Very low49.1Very low166.333 Ų166.33396.1 Ų96.189%0.88956%0.56SS**  trans110.645.9166.5-62.6-18.6000117.8G664G664-N666 PolarHBondContact O-N 2.83Å
667S34.1Very low49.1Very low96.3333 Ų96.333397.5 Ų97.567%0.67457%0.571SS**  trans-142.4119.615445.10000111.1K660K660-S667 PolarHBondContact NZ-O 3.13Å; K660-S667 PolarHBondContact NZ-OG 3.36Å
668S38.2Very low49.5Very low110 Ų110102.3 Ų102.377%0.76959%0.589SS**  trans-57.9137.3-175.746.80000113.1I670S668-I670 PolarHBondContact O-N 3.34Å
669S39.3Very low50.2Low97.6667 Ų97.6667102.5 Ų102.568%0.68358%0.576SS**  trans-55.9112.9175.488.90000111.4S671S669-S671 VanDerWaalsContact C-N 3.35Å; S669-S671 PolarHBondContact O-N 3.1Å
670I50.2Low51.7Low129 Ų12996.7 Ų96.766%0.66255%0.546SS*.  trans-7986.8176.4-55.7171000108.1S668 V672S668-I670 PolarHBondContact O-N 3.34Å; I670-V672 HydrophobicContact CG2-CG2 3.9Å; I670-V672 PolarHBondContact O-N 3.37Å
671S55.8Low53.3Low72 Ų7293.1 Ų93.150%0.50353%0.532SS..  trans-79.4102.2164.858.10000108.6S669 T673S669-S671 VanDerWaalsContact C-N 3.35Å; S669-S671 PolarHBondContact O-N 3.1Å; S671-T673 PolarHBondContact O-N 3.24Å
672V63.7Low55.3Low17 Ų1794 Ų9410%0.10353%0.53CS..  trans-73.8121.3179.9-173.80000109.4V567 I670 D679 L680 Y683V567-V672 HydrophobicContact CG2-CG1 4.27Å; V567-V672 VanDerWaalsContact CG2-O 3.31Å; V567-V672 WeakPolarHBondContact CG2-O 3.44Å; V567-V672 PolarHBondContact N-O 2.91Å; I670-V672 HydrophobicContact CG2-CG2 3.9Å; I670-V672 PolarHBondContact O-N 3.37Å; V672-D679 HydrophobicContact CG1-CB 4.42Å; V672-L680 HydrophobicContact CG1-CB 4.42Å; V672-L680 HydrophobicContact CG1-CD1 4.29Å; V672-L680 HydrophobicContact CG1-CG 4.42Å; V672-Y683 HydrophobicContact CB-CD1 4.4Å; V672-Y683 HydrophobicContact CB-CG 4.37Å; V672-Y683 HydrophobicContact CG1-CD1 4.39Å; V672-Y683 HydrophobicContact CG1-CG 4.35Å; V672-Y683 HydrophobicContact CG2-CD1 4.39Å; V672-Y683 HydrophobicContact CG2-CD2 4.1Å; V672-Y683 HydrophobicContact CG2-CG 3.9Å
673T66.9Low57.2Low35.6667 Ų35.666790.5 Ų90.522%0.21950%0.501CS..BIsolated β-bridgetrans-111.4165.8173.658.60000110.1S671 E675S671-T673 PolarHBondContact O-N 3.24Å; T673-E675 PolarHBondContact O-N 3.1Å; T673-E675 VanDerWaalsContact O-N 3.09Å
674W68.4Low59.3Low5 Ų582.6 Ų82.62%0.01947%0.465CS..THydrogen-bonded Turntrans-68.4-1.1-179.8-61.999.2000114.5V562 V567 V579 N580 Y581 F616 A620 M623 L680V562-W674 HydrophobicContact CG1-CB 4.1Å; V562-W674 HydrophobicContact CG1-CD2 4.3Å; V562-W674 HydrophobicContact CG1-CG 3.86Å; V562-W674 WeakPolarHBondContact O-CB 3.44Å; V567-W674 HydrophobicContact CB-CZ2 4.41Å; V567-W674 HydrophobicContact CG1-CH2 4.01Å; V567-W674 HydrophobicContact CG1-CZ2 3.88Å; V567-W674 HydrophobicContact CG1-CZ3 4.44Å; V567-W674 HydrophobicContact CG2-CD2 4Å; V567-W674 HydrophobicContact CG2-CE3 4.46Å; V567-W674 HydrophobicContact CG2-CG 4.16Å; V567-W674 HydrophobicContact CG2-CZ2 4.43Å; V579-W674 HydrophobicContact CG1-CH2 4.33Å; V579-W674 HydrophobicContact CG1-CZ2 4.2Å; N580-W674 PolarHBondContact O-NE1 2.86Å; Y581-W674 HydrophobicContact CD2-CH2 4.11Å; Y581-W674 AromaticContact CD2-CZ2 3.95Å; Y581-W674 HydrophobicContact CD2-CZ2 4.09Å; Y581-W674 HydrophobicContact CD2-CZ3 4.37Å; Y581-W674 HydrophobicContact CG-CH2 4.49Å; Y581-W674 HydrophobicContact CG-CZ2 4.41Å; F616-W674 HydrophobicContact CB-CE3 3.88Å; F616-W674 HydrophobicContact CB-CZ3 4.04Å; F616-W674 AromaticContact CD1-CE3 3.78Å; F616-W674 HydrophobicContact CD1-CE3 4.08Å; F616-W674 HydrophobicContact CD1-CZ3 4.35Å; F616-W674 VanDerWaalsContact CE1-O 3.23Å; F616-W674 WeakPolarHBondContact CE1-O 3.45Å; F616-W674 AromaticContact CG-CE3 3.86Å; F616-W674 HydrophobicContact CG-CE3 4.1Å; F616-W674 HydrophobicContact CG-CZ3 4.36Å; F616-W674 WeakPolarHBondContact CZ-O 3.17Å; A620-W674 HydrophobicContact CB-CH2 3.82Å; A620-W674 HydrophobicContact CB-CZ3 4.2Å; M623-W674 HydrophobicContact CE-CH2 3.46Å; M623-W674 VanDerWaalsContact CE-CH2 3.46Å; M623-W674 HydrophobicContact CE-CZ2 4.42Å; M623-W674 HydrophobicContact CE-CZ3 3.53Å; M623-W674 HydrophobicContact SD-CH2 3.99Å; M623-W674 HydrophobicContact SD-CZ3 4.47Å; W674-L680 HydrophobicContact CD2-CD1 4.25Å; W674-L680 HydrophobicContact CE3-CD1 3.84Å; W674-L680 HydrophobicContact CE3-CD2 4.26Å; W674-L680 HydrophobicContact CZ3-CD1 4.24Å; W674-L680 HydrophobicContact CZ3-CD2 4.24Å
675E61.8Low61.4Low123.333 Ų123.33383.4 Ų83.458%0.57646%0.456SS*.THydrogen-bonded Turntrans-75.3-38.1-175.5-71.5-167.314500114.2K563 T673K563-E675 HydrophobicContact CB-CG 3.63Å; K563-E675 HydrophobicContact CD-CG 4.04Å; K563-E675 HydrophobicContact CG-CG 3.82Å; T673-E675 PolarHBondContact O-N 3.1Å; T673-E675 VanDerWaalsContact O-N 3.09Å
676K64.7Low63.6Low131.667 Ų131.66780.3 Ų80.357%0.57244%0.44SS*.  trans-107107.1-172.8-70.4-179.9177.1-176.80111E678 D679 L680K676-E678 VanDerWaalsContact C-N 3.27Å; K676-E678 PolarHBondContact O-N 3.16Å; K676-D679 HydrophobicContact CB-CB 4.03Å; K676-D679 WeakPolarHBondContact CD-OD2 3.35Å; K676-D679 IonicContact NZ-OD2 3.32Å; K676-D679 PolarHBondContact O-N 2.92Å; K676-L680 WeakPolarHBondContact O-CB 3.37Å; K676-L680 PolarHBondContact O-N 3.22Å
677S68.4Low65.9Low48.3333 Ų48.333372.4 Ų72.434%0.33840%0.397SS..Hα-helixtrans-59.4-38.7-179-164.40000112.8Y619 L680 E681Y619-S677 PolarHBondContact OH-OG 2.93Å; Y619-S677 VanDerWaalsContact OH-OG 3.1Å; S677-L680 WeakPolarHBondContact O-CB 3.39Å; S677-L680 PolarHBondContact O-N 3.18Å; S677-E681 WeakPolarHBondContact O-CB 3.35Å; S677-E681 WeakPolarHBondContact O-CG 3.46Å; S677-E681 PolarHBondContact O-N 3.11Å; S677-E681 VanDerWaalsContact O-N 3.1Å
678E72Confident68.1Low152 Ų15272.4 Ų72.471%0.7139%0.385SS*.Hα-helixtrans-69-44.1-178.8-69.3178.6176.800112.6K676 L680 E681 N682K676-E678 VanDerWaalsContact C-N 3.27Å; K676-E678 PolarHBondContact O-N 3.16Å; E678-L680 VanDerWaalsContact C-N 3.27Å; E678-L680 PolarHBondContact O-N 2.92Å; E678-E681 PolarHBondContact O-N 3.29Å; E678-N682 WeakPolarHBondContact O-CB 3.39Å; E678-N682 VanDerWaalsContact O-CG 3.25Å; E678-N682 PolarHBondContact O-N 2.95Å; E678-N682 PolarHBondContact O-ND2 3.09Å
679D71.7Confident70.2Confident59.6667 Ų59.666769.3 Ų69.332%0.31936%0.364SS..Hα-helixtrans-63-37.2177-71.1-19.9000111.1V672 K676 N682 Y683V672-D679 HydrophobicContact CG1-CB 4.42Å; K676-D679 HydrophobicContact CB-CB 4.03Å; K676-D679 WeakPolarHBondContact CD-OD2 3.35Å; K676-D679 IonicContact NZ-OD2 3.32Å; K676-D679 PolarHBondContact O-N 2.92Å; D679-N682 PolarHBondContact O-N 3.19Å; D679-Y683 VanDerWaalsContact O-CB 3.24Å; D679-Y683 WeakPolarHBondContact O-CB 3.42Å; D679-Y683 PolarHBondContact O-N 3.16Å
680L73Confident72.2Confident1 Ų165.1 Ų65.11%0.00534%0.335CS..Hα-helixtrans-68.3-40.3178.2-154.9116.9000111.8V567 F616 Y619 M623 V672 W674 K676 S677 E678 Y683 L684V567-L680 HydrophobicContact CG2-CD1 3.78Å; F616-L680 HydrophobicContact CD1-CD2 4.1Å; Y619-L680 VanDerWaalsContact CB-CD2 3.44Å; Y619-L680 HydrophobicContact CD1-CD2 3.92Å; Y619-L680 HydrophobicContact CD2-CD2 3.65Å; Y619-L680 HydrophobicContact CE1-CD2 4.45Å; Y619-L680 HydrophobicContact CE2-CD2 4.04Å; Y619-L680 HydrophobicContact CG-CD2 3.37Å; Y619-L680 VanDerWaalsContact CG-CD2 3.41Å; Y619-L680 HydrophobicContact CG-CG 4.45Å; M623-L680 HydrophobicContact CE-CD1 4.07Å; M623-L680 HydrophobicContact CE-CD2 3.88Å; M623-L680 HydrophobicContact CE-CG 3.99Å; V672-L680 HydrophobicContact CG1-CB 4.42Å; V672-L680 HydrophobicContact CG1-CD1 4.29Å; V672-L680 HydrophobicContact CG1-CG 4.42Å; W674-L680 HydrophobicContact CD2-CD1 4.25Å; W674-L680 HydrophobicContact CE3-CD1 3.84Å; W674-L680 HydrophobicContact CE3-CD2 4.26Å; W674-L680 HydrophobicContact CZ3-CD1 4.24Å; W674-L680 HydrophobicContact CZ3-CD2 4.24Å; K676-L680 WeakPolarHBondContact O-CB 3.37Å; K676-L680 PolarHBondContact O-N 3.22Å; S677-L680 WeakPolarHBondContact O-CB 3.39Å; S677-L680 PolarHBondContact O-N 3.18Å; E678-L680 VanDerWaalsContact C-N 3.27Å; E678-L680 PolarHBondContact O-N 2.92Å; L680-Y683 PolarHBondContact O-N 3.15Å; L680-L684 HydrophobicContact CG-CD1 4.42Å; L680-L684 VanDerWaalsContact O-CB 3.25Å; L680-L684 WeakPolarHBondContact O-CB 3.34Å; L680-L684 WeakPolarHBondContact O-CD1 3.28Å; L680-L684 WeakPolarHBondContact O-CG 3.28Å; L680-L684 PolarHBondContact O-N 3.25Å
681E75.9Confident73.7Confident90 Ų9059.5 Ų59.542%0.42131%0.308SS..Hα-helixtrans-66.7-44.4174.8-108.2177.5-177.700112.1Y619 S677 E678 Y683 L684 T685Y619-E681 HydrophobicContact CD1-CG 4.42Å; Y619-E681 HydrophobicContact CE1-CG 3.52Å; Y619-E681 VanDerWaalsContact CE1-CG 3.49Å; Y619-E681 PolarHBondContact OH-OE1 3.14Å; Y619-E681 VanDerWaalsContact OH-OE1 3.09Å; S677-E681 WeakPolarHBondContact O-CB 3.35Å; S677-E681 WeakPolarHBondContact O-CG 3.46Å; S677-E681 PolarHBondContact O-N 3.11Å; S677-E681 VanDerWaalsContact O-N 3.1Å; E678-E681 PolarHBondContact O-N 3.29Å; E681-Y683 VanDerWaalsContact C-N 3.33Å; E681-Y683 PolarHBondContact O-N 3.12Å; E681-L684 PolarHBondContact O-N 3.09Å; E681-T685 WeakPolarHBondContact O-CB 3.34Å; E681-T685 VanDerWaalsContact O-CG2 3.29Å; E681-T685 WeakPolarHBondContact O-CG2 3.37Å; E681-T685 PolarHBondContact O-N 3.39Å; E681-T685 PolarHBondContact O-OG1 3.41Å
682N78.3Confident75Confident96.3333 Ų96.333360.9 Ų60.952%0.51531%0.306SS..Hα-helixtrans-63-41.3176.1-75.2-31.3000112E678 D679 T685 K686E678-N682 WeakPolarHBondContact O-CB 3.39Å; E678-N682 VanDerWaalsContact O-CG 3.25Å; E678-N682 PolarHBondContact O-N 2.95Å; E678-N682 PolarHBondContact O-ND2 3.09Å; D679-N682 PolarHBondContact O-N 3.19Å; N682-T685 WeakPolarHBondContact CA-OG1 3.36Å; N682-T685 PolarHBondContact O-N 3.18Å; N682-T685 PolarHBondContact O-OG1 2.83Å; N682-K686 VanDerWaalsContact O-CG 3.29Å; N682-K686 WeakPolarHBondContact O-CG 3.33Å; N682-K686 PolarHBondContact O-N 3.01Å; N682-K686 VanDerWaalsContact O-N 3.12Å
683Y78.8Confident75.9Confident36.6667 Ų36.666767.9 Ų67.914%0.14433%0.331CS..Hα-helixtrans-65.8-44.7175.6-177.6-116.3000111.9M568 V672 D679 L680 E681 T685 K686 L687M568-Y683 HydrophobicContact CE-CE1 3.95Å; V672-Y683 HydrophobicContact CB-CD1 4.4Å; V672-Y683 HydrophobicContact CB-CG 4.37Å; V672-Y683 HydrophobicContact CG1-CD1 4.39Å; V672-Y683 HydrophobicContact CG1-CG 4.35Å; V672-Y683 HydrophobicContact CG2-CD1 4.39Å; V672-Y683 HydrophobicContact CG2-CD2 4.1Å; V672-Y683 HydrophobicContact CG2-CG 3.9Å; D679-Y683 VanDerWaalsContact O-CB 3.24Å; D679-Y683 WeakPolarHBondContact O-CB 3.42Å; D679-Y683 PolarHBondContact O-N 3.16Å; L680-Y683 PolarHBondContact O-N 3.15Å; E681-Y683 VanDerWaalsContact C-N 3.33Å; E681-Y683 PolarHBondContact O-N 3.12Å; Y683-T685 VanDerWaalsContact C-N 3.33Å; Y683-T685 PolarHBondContact O-N 3.06Å; Y683-K686 PolarHBondContact O-N 3.1Å; Y683-L687 HydrophobicContact CD1-CD1 3.7Å; Y683-L687 HydrophobicContact CD2-CD1 4.29Å; Y683-L687 HydrophobicContact CE1-CD1 3.28Å; Y683-L687 HydrophobicContact CE1-CG 4.27Å; Y683-L687 HydrophobicContact CE2-CD1 4.12Å; Y683-L687 HydrophobicContact CE2-CG 4.29Å; Y683-L687 HydrophobicContact CG-CD1 4.29Å; Y683-L687 VanDerWaalsContact CZ-CD1 3.48Å; Y683-L687 WeakPolarHBondContact O-CG 3.36Å; Y683-L687 PolarHBondContact O-N 3.19Å
684L78.6Confident76.5Confident11.6667 Ų11.666767 Ų676%0.06133%0.325CS..Hα-helixtrans-61.4-41.4176.5-146.395000112.5Y619 I622 M623 L680 E681 K686 L687 K688Y619-L684 HydrophobicContact CD1-CD1 3.28Å; Y619-L684 HydrophobicContact CD1-CD2 3.86Å; Y619-L684 HydrophobicContact CE1-CD1 4.19Å; Y619-L684 HydrophobicContact CG-CD1 3.88Å; I622-L684 HydrophobicContact CB-CD1 4.11Å; I622-L684 HydrophobicContact CB-CD2 4.08Å; I622-L684 HydrophobicContact CD1-CD2 3.89Å; I622-L684 HydrophobicContact CG2-CD1 3.64Å; I622-L684 HydrophobicContact CG2-CD2 3.89Å; I622-L684 HydrophobicContact CG2-CG 4.08Å; M623-L684 HydrophobicContact CE-CB 4.47Å; M623-L684 HydrophobicContact CE-CD1 3.87Å; M623-L684 HydrophobicContact CE-CD2 3.74Å; M623-L684 HydrophobicContact CE-CG 3.52Å; M623-L684 HydrophobicContact CG-CD1 3.48Å; M623-L684 VanDerWaalsContact CG-CD1 3.43Å; M623-L684 HydrophobicContact CG-CD2 3.67Å; M623-L684 HydrophobicContact CG-CG 4.48Å; M623-L684 HydrophobicContact SD-CD1 4.35Å; L680-L684 HydrophobicContact CG-CD1 4.42Å; L680-L684 VanDerWaalsContact O-CB 3.25Å; L680-L684 WeakPolarHBondContact O-CB 3.34Å; L680-L684 WeakPolarHBondContact O-CD1 3.28Å; L680-L684 WeakPolarHBondContact O-CG 3.28Å; L680-L684 PolarHBondContact O-N 3.25Å; E681-L684 PolarHBondContact O-N 3.09Å; L684-K686 VanDerWaalsContact C-N 3.32Å; L684-K686 PolarHBondContact O-N 3.41Å; L684-L687 PolarHBondContact O-N 3.02Å; L684-K688 WeakPolarHBondContact O-CB 3.32Å; L684-K688 WeakPolarHBondContact O-CG 3.46Å; L684-K688 PolarHBondContact O-N 2.9Å
685T81Confident77.1Confident85.6667 Ų85.666767.3 Ų67.353%0.52633%0.329SS..Hα-helixtrans-64.6-41.5178.7-23.10000111E681 N682 Y683 K688 S689E681-T685 WeakPolarHBondContact O-CB 3.34Å; E681-T685 VanDerWaalsContact O-CG2 3.29Å; E681-T685 WeakPolarHBondContact O-CG2 3.37Å; E681-T685 PolarHBondContact O-N 3.39Å; E681-T685 PolarHBondContact O-OG1 3.41Å; N682-T685 WeakPolarHBondContact CA-OG1 3.36Å; N682-T685 PolarHBondContact O-N 3.18Å; N682-T685 PolarHBondContact O-OG1 2.83Å; Y683-T685 VanDerWaalsContact C-N 3.33Å; Y683-T685 PolarHBondContact O-N 3.06Å; T685-K688 PolarHBondContact O-N 3.13Å; T685-S689 VanDerWaalsContact O-CB 3.27Å; T685-S689 WeakPolarHBondContact O-CB 3.28Å; T685-S689 PolarHBondContact O-N 2.99Å; T685-S689 PolarHBondContact O-OG 3.2Å; T685-S689 VanDerWaalsContact O-OG 3.09Å
686K82Confident78.2Confident120.333 Ų120.33365.8 Ų65.852%0.52333%0.325SS..Hα-helixtrans-63.1-44.9173.5-72.2176.7-177.9178.70112.1L655 N682 Y683 L684 S689 A690L655-K686 HydrophobicContact CD2-CB 4.37Å; N682-K686 VanDerWaalsContact O-CG 3.29Å; N682-K686 WeakPolarHBondContact O-CG 3.33Å; N682-K686 PolarHBondContact O-N 3.01Å; N682-K686 VanDerWaalsContact O-N 3.12Å; Y683-K686 PolarHBondContact O-N 3.1Å; L684-K686 VanDerWaalsContact C-N 3.32Å; L684-K686 PolarHBondContact O-N 3.41Å; K686-S689 PolarHBondContact O-N 3.09Å; K686-S689 PolarHBondContact O-OG 2.96Å; K686-A690 WeakPolarHBondContact O-CB 3.23Å; K686-A690 PolarHBondContact O-N 3.18Å; K686-A690 VanDerWaalsContact O-N 3.08Å
687L80.9Confident79.1Confident0.333333 Ų0.33333361.2 Ų61.20%0.00231%0.307CS..Hα-helixtrans-65-43.7177.9-78.9170.7000112.9M568 V626 F652 L655 I656 Y683 L684 S689 A690 A691M568-L687 HydrophobicContact CE-CD1 3.36Å; M568-L687 VanDerWaalsContact CE-CD1 3.49Å; M568-L687 HydrophobicContact SD-CD1 4.12Å; V626-L687 HydrophobicContact CG1-CB 4.39Å; F652-L687 HydrophobicContact CE2-CD2 4.05Å; L655-L687 HydrophobicContact CB-CD2 4.5Å; I656-L687 HydrophobicContact CD1-CD2 4.42Å; I656-L687 HydrophobicContact CG1-CD2 3.83Å; Y683-L687 HydrophobicContact CD1-CD1 3.7Å; Y683-L687 HydrophobicContact CD2-CD1 4.29Å; Y683-L687 HydrophobicContact CE1-CD1 3.28Å; Y683-L687 HydrophobicContact CE1-CG 4.27Å; Y683-L687 HydrophobicContact CE2-CD1 4.12Å; Y683-L687 HydrophobicContact CE2-CG 4.29Å; Y683-L687 HydrophobicContact CG-CD1 4.29Å; Y683-L687 VanDerWaalsContact CZ-CD1 3.48Å; Y683-L687 WeakPolarHBondContact O-CG 3.36Å; Y683-L687 PolarHBondContact O-N 3.19Å; L684-L687 PolarHBondContact O-N 3.02Å; L687-S689 VanDerWaalsContact C-N 3.35Å; L687-A690 PolarHBondContact O-N 3.19Å; L687-A691 WeakPolarHBondContact O-CB 3.39Å; L687-A691 PolarHBondContact O-N 3.14Å
688K80.7Confident79.8Confident97.3333 Ų97.333359.6 Ų59.642%0.42330%0.295SS..Hα-helixtrans-60.9-47176.5-145.6-177.7179.3-149.40110.9I622 L684 T685 A690 A691 E692I622-K688 HydrophobicContact CG2-CD 4.44Å; I622-K688 HydrophobicContact CG2-CG 4.44Å; L684-K688 WeakPolarHBondContact O-CB 3.32Å; L684-K688 WeakPolarHBondContact O-CG 3.46Å; L684-K688 PolarHBondContact O-N 2.9Å; T685-K688 PolarHBondContact O-N 3.13Å; K688-A690 VanDerWaalsContact C-N 3.3Å; K688-A690 PolarHBondContact O-N 3.15Å; K688-A691 PolarHBondContact O-N 3.35Å; K688-A691 VanDerWaalsContact O-N 3.12Å; K688-E692 VanDerWaalsContact CE-OE1 3.3Å; K688-E692 WeakPolarHBondContact CE-OE1 3.28Å; K688-E692 HydrophobicContact CG-CG 4.41Å; K688-E692 WeakPolarHBondContact CG-OE1 3.45Å; K688-E692 IonicContact NZ-OE1 3.55Å; K688-E692 PolarHBondContact NZ-OE1 3.36Å; K688-E692 VanDerWaalsContact O-CB 3.28Å; K688-E692 WeakPolarHBondContact O-CB 3.34Å; K688-E692 VanDerWaalsContact O-CG 3.25Å; K688-E692 WeakPolarHBondContact O-CG 3.28Å; K688-E692 PolarHBondContact O-N 3.39Å
689S83.1Confident80.4Confident45.6667 Ų45.666760.1 Ų60.132%0.31929%0.291SS..Hα-helixtrans-62.7-35.2178.4710000112.5T685 K686 L687 R693T685-S689 VanDerWaalsContact O-CB 3.27Å; T685-S689 WeakPolarHBondContact O-CB 3.28Å; T685-S689 PolarHBondContact O-N 2.99Å; T685-S689 PolarHBondContact O-OG 3.2Å; T685-S689 VanDerWaalsContact O-OG 3.09Å; K686-S689 PolarHBondContact O-N 3.09Å; K686-S689 PolarHBondContact O-OG 2.96Å; L687-S689 VanDerWaalsContact C-N 3.35Å; S689-R693 VanDerWaalsContact O-CB 3.31Å; S689-R693 WeakPolarHBondContact O-CB 3.3Å; S689-R693 VanDerWaalsContact O-CG 3.25Å; S689-R693 WeakPolarHBondContact O-CG 3.44Å; S689-R693 PolarHBondContact O-N 3.34Å; S689-R693 VanDerWaalsContact O-N 3.14Å; S689-R693 PolarHBondContact OG-NH2 3.28Å
690A81Confident81Confident9.33333 Ų9.3333359.9 Ų59.98%0.07729%0.289CS..Hα-helixtrans-70.6-42.8175.300000111.9F652 L655 K686 L687 K688 E692 R693 T694F652-A690 HydrophobicContact CD2-CB 3.59Å; F652-A690 HydrophobicContact CE2-CB 3.96Å; F652-A690 HydrophobicContact CG-CB 4.44Å; L655-A690 HydrophobicContact CD1-CB 3.42Å; L655-A690 VanDerWaalsContact CD1-CB 3.45Å; K686-A690 WeakPolarHBondContact O-CB 3.23Å; K686-A690 PolarHBondContact O-N 3.18Å; K686-A690 VanDerWaalsContact O-N 3.08Å; L687-A690 PolarHBondContact O-N 3.19Å; K688-A690 VanDerWaalsContact C-N 3.3Å; K688-A690 PolarHBondContact O-N 3.15Å; A690-E692 VanDerWaalsContact C-N 3.33Å; A690-E692 PolarHBondContact O-N 3.02Å; A690-R693 PolarHBondContact O-N 3.03Å; A690-T694 PolarHBondContact O-N 2.93Å; A690-T694 VanDerWaalsContact O-N 3.08Å; A690-T694 PolarHBondContact O-OG1 3.26Å; A690-T694 VanDerWaalsContact O-OG1 3.07Å
691A81.4Confident81.7Confident11 Ų1160 Ų609%0.09129%0.289CS..Hα-helixtrans-63.2-43.9176.300000111.5V626 F629 F652 L687 K688 R693 T694 A695V626-A691 HydrophobicContact CG1-CB 4.38Å; V626-A691 HydrophobicContact CG2-CB 4.49Å; F629-A691 HydrophobicContact CD1-CB 3.86Å; F629-A691 HydrophobicContact CE1-CB 4.02Å; F629-A691 WeakPolarHBondContact CZ-O 3.4Å; F652-A691 HydrophobicContact CE2-CB 4.01Å; F652-A691 HydrophobicContact CZ-CB 4.24Å; L687-A691 WeakPolarHBondContact O-CB 3.39Å; L687-A691 PolarHBondContact O-N 3.14Å; K688-A691 PolarHBondContact O-N 3.35Å; K688-A691 VanDerWaalsContact O-N 3.12Å; A691-R693 VanDerWaalsContact C-N 3.33Å; A691-R693 PolarHBondContact O-N 3.37Å; A691-T694 PolarHBondContact O-N 3.02Å; A691-A695 WeakPolarHBondContact O-CB 3.38Å; A691-A695 PolarHBondContact O-N 3.21Å
692E82.9Confident82.3Confident100 Ų10058.1 Ų58.147%0.46728%0.281SS..Hα-helixtrans-62.8-41.6176.2-75.317217700111.9K688 A690 A695 N696K688-E692 VanDerWaalsContact CE-OE1 3.3Å; K688-E692 WeakPolarHBondContact CE-OE1 3.28Å; K688-E692 HydrophobicContact CG-CG 4.41Å; K688-E692 WeakPolarHBondContact CG-OE1 3.45Å; K688-E692 IonicContact NZ-OE1 3.55Å; K688-E692 PolarHBondContact NZ-OE1 3.36Å; K688-E692 VanDerWaalsContact O-CB 3.28Å; K688-E692 WeakPolarHBondContact O-CB 3.34Å; K688-E692 VanDerWaalsContact O-CG 3.25Å; K688-E692 WeakPolarHBondContact O-CG 3.28Å; K688-E692 PolarHBondContact O-N 3.39Å; A690-E692 VanDerWaalsContact C-N 3.33Å; A690-E692 PolarHBondContact O-N 3.02Å; E692-A695 PolarHBondContact O-N 3.07Å; E692-N696 VanDerWaalsContact O-CB 3.3Å; E692-N696 WeakPolarHBondContact O-CB 3.22Å; E692-N696 PolarHBondContact O-N 3.31Å; E692-N696 PolarHBondContact O-ND2 3.1Å
693R82.3Confident82.9Confident164.667 Ų164.66759.2 Ų59.262%0.62128%0.279SS*.Hα-helixtrans-61.1-47.1175-105.8176.9-159148.22.1111.7S689 A690 A691 N696 L697S689-R693 VanDerWaalsContact O-CB 3.31Å; S689-R693 WeakPolarHBondContact O-CB 3.3Å; S689-R693 VanDerWaalsContact O-CG 3.25Å; S689-R693 WeakPolarHBondContact O-CG 3.44Å; S689-R693 PolarHBondContact O-N 3.34Å; S689-R693 VanDerWaalsContact O-N 3.14Å; S689-R693 PolarHBondContact OG-NH2 3.28Å; A690-R693 PolarHBondContact O-N 3.03Å; A691-R693 VanDerWaalsContact C-N 3.33Å; A691-R693 PolarHBondContact O-N 3.37Å; R693-N696 PolarHBondContact O-N 3.27Å; R693-L697 HydrophobicContact CG-CD1 4.13Å; R693-L697 WeakPolarHBondContact O-CB 3.44Å; R693-L697 WeakPolarHBondContact O-CG 3.25Å; R693-L697 PolarHBondContact O-N 3.04Å
694T80.2Confident83.5Confident16.3333 Ų16.333358.7 Ų58.710%0.128%0.277CS..Hα-helixtrans-64-43.1177.3-55.40000111.4F629 M645 A690 A691 N696 L697 S698F629-T694 HydrophobicContact CE1-CG2 4.23Å; F629-T694 HydrophobicContact CZ-CG2 4.12Å; M645-T694 HydrophobicContact CE-CG2 3.55Å; M645-T694 VanDerWaalsContact CE-O 3.26Å; M645-T694 WeakPolarHBondContact CE-O 3.37Å; A690-T694 PolarHBondContact O-N 2.93Å; A690-T694 VanDerWaalsContact O-N 3.08Å; A690-T694 PolarHBondContact O-OG1 3.26Å; A690-T694 VanDerWaalsContact O-OG1 3.07Å; A691-T694 PolarHBondContact O-N 3.02Å; T694-N696 PolarHBondContact O-N 3.4Å; T694-L697 PolarHBondContact O-N 3.22Å; T694-S698 VanDerWaalsContact O-CB 3.3Å; T694-S698 WeakPolarHBondContact O-CB 3.27Å; T694-S698 PolarHBondContact O-N 3.22Å
695A81.5Confident84.1Confident13 Ų1359.5 Ų59.511%0.10728%0.281CS..Hα-helixtrans-63.6-43178.100000112.1F629 A691 E692 S698 R699F629-A695 HydrophobicContact CE2-CB 3.69Å; F629-A695 HydrophobicContact CZ-CB 3.75Å; A691-A695 WeakPolarHBondContact O-CB 3.38Å; A691-A695 PolarHBondContact O-N 3.21Å; E692-A695 PolarHBondContact O-N 3.07Å; A695-S698 PolarHBondContact O-N 3.13Å; A695-R699 WeakPolarHBondContact O-CB 3.38Å; A695-R699 VanDerWaalsContact O-CG 3.27Å; A695-R699 WeakPolarHBondContact O-CG 3.39Å; A695-R699 PolarHBondContact O-N 3.16Å; A695-R699 VanDerWaalsContact O-N 3.09Å
696N84Confident84.7Confident90.6667 Ų90.666761.2 Ų61.249%0.48528%0.282SS..Hα-helixtrans-67.5-42.2179.2-71.5-17.1000111.6E692 R693 T694 R699 M700E692-N696 VanDerWaalsContact O-CB 3.3Å; E692-N696 WeakPolarHBondContact O-CB 3.22Å; E692-N696 PolarHBondContact O-N 3.31Å; E692-N696 PolarHBondContact O-ND2 3.1Å; R693-N696 PolarHBondContact O-N 3.27Å; T694-N696 PolarHBondContact O-N 3.4Å; N696-R699 PolarHBondContact O-N 3.38Å; N696-R699 PolarHBondContact OD1-NH1 3.2Å; N696-M700 WeakPolarHBondContact O-CB 3.16Å; N696-M700 VanDerWaalsContact O-CG 3.23Å; N696-M700 WeakPolarHBondContact O-CG 3.21Å; N696-M700 PolarHBondContact O-N 3.07Å
697L83.5Confident85.2Confident35.3333 Ų35.333357.9 Ų57.919%0.18527%0.269CS..Hα-helixtrans-63.4-43.5176.2-132.1112.8000111.4M645 T648 R693 T694 R699 M700 F701 L744M645-L697 HydrophobicContact CE-CB 4.08Å; M645-L697 HydrophobicContact CE-CD2 4.13Å; M645-L697 HydrophobicContact SD-CB 4.2Å; M645-L697 HydrophobicContact SD-CD2 3.65Å; M645-L697 VanDerWaalsContact SD-CD2 3.6Å; M645-L697 HydrophobicContact SD-CG 4.13Å; T648-L697 HydrophobicContact CG2-CD1 3.48Å; T648-L697 VanDerWaalsContact CG2-CD1 3.48Å; T648-L697 HydrophobicContact CG2-CD2 3.87Å; R693-L697 HydrophobicContact CG-CD1 4.13Å; R693-L697 WeakPolarHBondContact O-CB 3.44Å; R693-L697 WeakPolarHBondContact O-CG 3.25Å; R693-L697 PolarHBondContact O-N 3.04Å; T694-L697 PolarHBondContact O-N 3.22Å; L697-R699 PolarHBondContact O-N 3Å; L697-M700 HydrophobicContact CD1-CE 4.1Å; L697-M700 PolarHBondContact O-N 3.23Å; L697-F701 HydrophobicContact CB-CE2 4.36Å; L697-F701 HydrophobicContact CD1-CE2 4.36Å; L697-F701 HydrophobicContact CD1-CZ 4.15Å; L697-F701 HydrophobicContact CD2-CD2 4.32Å; L697-F701 HydrophobicContact CD2-CE2 3.43Å; L697-F701 VanDerWaalsContact CD2-CE2 3.43Å; L697-F701 HydrophobicContact CD2-CZ 4.03Å; L697-F701 HydrophobicContact CG-CD2 4.14Å; L697-F701 HydrophobicContact CG-CE2 3.5Å; L697-F701 VanDerWaalsContact CG-CE2 3.47Å; L697-F701 HydrophobicContact CG-CZ 3.78Å; L697-F701 WeakPolarHBondContact O-CD2 3.36Å; L697-F701 WeakPolarHBondContact O-CG 3.23Å; L697-F701 PolarHBondContact O-N 3.04Å; L697-L744 HydrophobicContact CD2-CB 4.3Å
698S82.7Confident85.8Confident13.6667 Ų13.666757.9 Ų57.910%0.09627%0.269CS..Hα-helixtrans-58.7-49.8175.1177.30000111.9T694 A695 M700 F701 L702T694-S698 VanDerWaalsContact O-CB 3.3Å; T694-S698 WeakPolarHBondContact O-CB 3.27Å; T694-S698 PolarHBondContact O-N 3.22Å; A695-S698 PolarHBondContact O-N 3.13Å; S698-M700 VanDerWaalsContact C-N 3.32Å; S698-M700 PolarHBondContact O-N 3.37Å; S698-F701 PolarHBondContact O-N 3.09Å; S698-L702 WeakPolarHBondContact O-CB 3.38Å; S698-L702 VanDerWaalsContact O-CG 3.31Å; S698-L702 WeakPolarHBondContact O-CG 3.37Å; S698-L702 PolarHBondContact O-N 2.98Å
699R84.1Confident86.3Confident163 Ų16354.2 Ų54.262%0.61526%0.259SS*.Hα-helixtrans-60.5-40.1177.1-73.1177.5-169.1143.61.4112.6A695 N696 L697 L702 Y703A695-R699 WeakPolarHBondContact O-CB 3.38Å; A695-R699 VanDerWaalsContact O-CG 3.27Å; A695-R699 WeakPolarHBondContact O-CG 3.39Å; A695-R699 PolarHBondContact O-N 3.16Å; A695-R699 VanDerWaalsContact O-N 3.09Å; N696-R699 PolarHBondContact O-N 3.38Å; N696-R699 PolarHBondContact OD1-NH1 3.2Å; L697-R699 PolarHBondContact O-N 3Å; R699-L702 PolarHBondContact O-N 3.04Å; R699-Y703 VanDerWaalsContact O-CB 3.24Å; R699-Y703 WeakPolarHBondContact O-CB 3.4Å; R699-Y703 PolarHBondContact O-N 3.3Å
700M86Confident86.8Confident56.3333 Ų56.333358.2 Ų58.228%0.27827%0.272SS..Hα-helixtrans-65.2-45.1177.8-147.1-14280.500111.6N696 L697 S698 L702 Y703 Y704 L744N696-M700 WeakPolarHBondContact O-CB 3.16Å; N696-M700 VanDerWaalsContact O-CG 3.23Å; N696-M700 WeakPolarHBondContact O-CG 3.21Å; N696-M700 PolarHBondContact O-N 3.07Å; L697-M700 HydrophobicContact CD1-CE 4.1Å; L697-M700 PolarHBondContact O-N 3.23Å; S698-M700 VanDerWaalsContact C-N 3.32Å; S698-M700 PolarHBondContact O-N 3.37Å; M700-L702 PolarHBondContact O-N 3.31Å; M700-Y703 WeakPolarHBondContact O-CB 3.34Å; M700-Y703 PolarHBondContact O-N 3.26Å; M700-Y704 HydrophobicContact CE-CE2 4.21Å; M700-Y704 HydrophobicContact CG-CD2 4.26Å; M700-Y704 HydrophobicContact CG-CE2 3.74Å; M700-Y704 PolarHBondContact O-N 2.96Å; M700-Y704 HydrophobicContact SD-CE2 4.14Å; M700-L744 HydrophobicContact CE-CB 4.35Å; M700-L744 HydrophobicContact CE-CD1 4.31Å; M700-L744 HydrophobicContact SD-CD1 3.75Å
701F87.3Confident87.3Confident3.66667 Ų3.6666760 Ų602%0.01628%0.278CS..Hα-helixtrans-67.9-36.3176.9-64.3-31.9000112.7L641 M644 M645 L697 S698 Y703 Y704 H705 A741 A746L641-F701 HydrophobicContact CD1-CB 4.11Å; L641-F701 HydrophobicContact CD2-CB 4.32Å; M644-F701 HydrophobicContact CB-CD2 4.08Å; M644-F701 HydrophobicContact CB-CE2 3.7Å; M644-F701 HydrophobicContact CB-CZ 4.24Å; M644-F701 HydrophobicContact CE-CD1 3.51Å; M644-F701 VanDerWaalsContact CE-CD1 3.49Å; M644-F701 HydrophobicContact CE-CD2 4.09Å; M644-F701 HydrophobicContact CE-CE1 3.42Å; M644-F701 HydrophobicContact CE-CE2 3.99Å; M644-F701 HydrophobicContact CE-CG 3.87Å; M644-F701 HydrophobicContact CE-CZ 3.68Å; M645-F701 HydrophobicContact CG-CD2 4.48Å; M645-F701 HydrophobicContact SD-CD2 3.69Å; M645-F701 HydrophobicContact SD-CE2 3.86Å; L697-F701 HydrophobicContact CB-CE2 4.36Å; L697-F701 HydrophobicContact CD1-CE2 4.36Å; L697-F701 HydrophobicContact CD1-CZ 4.15Å; L697-F701 HydrophobicContact CD2-CD2 4.32Å; L697-F701 HydrophobicContact CD2-CE2 3.43Å; L697-F701 VanDerWaalsContact CD2-CE2 3.43Å; L697-F701 HydrophobicContact CD2-CZ 4.03Å; L697-F701 HydrophobicContact CG-CD2 4.14Å; L697-F701 HydrophobicContact CG-CE2 3.5Å; L697-F701 VanDerWaalsContact CG-CE2 3.47Å; L697-F701 HydrophobicContact CG-CZ 3.78Å; L697-F701 WeakPolarHBondContact O-CD2 3.36Å; L697-F701 WeakPolarHBondContact O-CG 3.23Å; L697-F701 PolarHBondContact O-N 3.04Å; S698-F701 PolarHBondContact O-N 3.09Å; F701-Y703 VanDerWaalsContact C-N 3.33Å; F701-Y704 HydrophobicContact CD1-CD2 4.37Å; F701-Y704 PolarHBondContact O-N 3.35Å; F701-H705 VanDerWaalsContact O-CB 3.26Å; F701-H705 WeakPolarHBondContact O-CB 3.4Å; F701-H705 PolarHBondContact O-N 3.2Å; F701-A741 HydrophobicContact CE1-CB 4.26Å; F701-A746 HydrophobicContact CE1-CB 4.29Å; F701-A746 HydrophobicContact CZ-CB 4Å
702L87.6Confident87.8Confident48.3333 Ų48.333359.9 Ų59.925%0.25328%0.276SS..Hα-helixtrans-62.4-40.8170.9-74.3170.7000111.6L638 L641 S698 R699 M700 H705 Q706L638-L702 HydrophobicContact CD1-CD2 3.66Å; L638-L702 HydrophobicContact CG-CD2 3.87Å; L641-L702 HydrophobicContact CD1-CD2 3.99Å; L641-L702 HydrophobicContact CD1-CG 4.38Å; S698-L702 WeakPolarHBondContact O-CB 3.38Å; S698-L702 VanDerWaalsContact O-CG 3.31Å; S698-L702 WeakPolarHBondContact O-CG 3.37Å; S698-L702 PolarHBondContact O-N 2.98Å; R699-L702 PolarHBondContact O-N 3.04Å; M700-L702 PolarHBondContact O-N 3.31Å; L702-H705 WeakPolarHBondContact O-CB 3.45Å; L702-H705 PolarHBondContact O-N 3.09Å; L702-Q706 WeakPolarHBondContact O-CB 3.49Å; L702-Q706 VanDerWaalsContact O-CG 3.26Å; L702-Q706 WeakPolarHBondContact O-CG 3.41Å; L702-Q706 PolarHBondContact O-N 3.13Å
703Y90.4Very high88.2Confident119.667 Ų119.66759.4 Ų59.447%0.46928%0.277SS..Hα-helixtrans-63.3-47.1175.4174.7-106.3000111.7R699 M700 F701 H705 Q706 Q707R699-Y703 VanDerWaalsContact O-CB 3.24Å; R699-Y703 WeakPolarHBondContact O-CB 3.4Å; R699-Y703 PolarHBondContact O-N 3.3Å; M700-Y703 WeakPolarHBondContact O-CB 3.34Å; M700-Y703 PolarHBondContact O-N 3.26Å; F701-Y703 VanDerWaalsContact C-N 3.33Å; Y703-H705 VanDerWaalsContact C-N 3.31Å; Y703-H705 PolarHBondContact O-N 2.97Å; Y703-Q706 CarbonylContact O-C 3.58Å; Y703-Q706 WeakPolarHBondContact O-CB 3.35Å; Y703-Q706 PolarHBondContact O-N 3.01Å; Y703-Q706 VanDerWaalsContact O-N 3.1Å; Y703-Q707 HydrophobicContact CD1-CG 4.27Å; Y703-Q707 HydrophobicContact CD2-CG 4.37Å; Y703-Q707 HydrophobicContact CE1-CG 4.01Å; Y703-Q707 HydrophobicContact CE2-CG 4.06Å; Y703-Q707 HydrophobicContact CG-CG 4.4Å; Y703-Q707 VanDerWaalsContact CZ-NE2 3.3Å; Y703-Q707 VanDerWaalsContact O-CG 3.3Å; Y703-Q707 WeakPolarHBondContact O-CG 3.35Å; Y703-Q707 PolarHBondContact O-N 3.28Å; Y703-Q707 PolarHBondContact OH-NE2 2.82Å
704Y91.6Very high88.6Confident26.3333 Ų26.333354.4 Ų54.410%0.10327%0.267CS..Hα-helixtrans-62.5-39.4175.1-67.7-23.6000112.7M700 F701 Q706 Q707 I708 I737 E740 A741 L744M700-Y704 HydrophobicContact CE-CE2 4.21Å; M700-Y704 HydrophobicContact CG-CD2 4.26Å; M700-Y704 HydrophobicContact CG-CE2 3.74Å; M700-Y704 PolarHBondContact O-N 2.96Å; M700-Y704 HydrophobicContact SD-CE2 4.14Å; F701-Y704 HydrophobicContact CD1-CD2 4.37Å; F701-Y704 PolarHBondContact O-N 3.35Å; Y704-Q706 VanDerWaalsContact C-N 3.35Å; Y704-Q706 PolarHBondContact O-N 3.24Å; Y704-Q707 PolarHBondContact O-N 2.75Å; Y704-I708 VanDerWaalsContact O-CG1 3.32Å; Y704-I708 WeakPolarHBondContact O-CG1 3.34Å; Y704-I708 PolarHBondContact O-N 3.04Å; Y704-I737 HydrophobicContact CD1-CG2 3.93Å; Y704-I737 HydrophobicContact CD2-CG2 4.44Å; Y704-I737 HydrophobicContact CG-CG2 3.78Å; Y704-E740 HydrophobicContact CE2-CG 4.39Å; Y704-E740 VanDerWaalsContact OH-CG 3.25Å; Y704-E740 WeakPolarHBondContact OH-CG 3.45Å; Y704-A741 HydrophobicContact CD2-CB 4.06Å; Y704-A741 HydrophobicContact CE2-CB 4.26Å; Y704-L744 HydrophobicContact CE2-CD1 3.95Å; Y704-L744 VanDerWaalsContact OH-CD1 3.25Å; Y704-L744 WeakPolarHBondContact OH-CD1 3.32Å
705H92.1Very high89.1Confident29 Ų2953.6 Ų53.613%0.13426%0.262CS..Hα-helixtrans-59-47.2172.5-175.599.2000110.7L641 F701 L702 Y703 Q707 I708 G709 W754 H757 W758L641-H705 HydrophobicContact CD1-CB 4.36Å; F701-H705 VanDerWaalsContact O-CB 3.26Å; F701-H705 WeakPolarHBondContact O-CB 3.4Å; F701-H705 PolarHBondContact O-N 3.2Å; L702-H705 WeakPolarHBondContact O-CB 3.45Å; L702-H705 PolarHBondContact O-N 3.09Å; Y703-H705 VanDerWaalsContact C-N 3.31Å; Y703-H705 PolarHBondContact O-N 2.97Å; H705-Q707 PolarHBondContact O-N 3.22Å; H705-I708 PolarHBondContact O-N 3Å; H705-G709 PolarHBondContact O-N 3.32Å; H705-W754 HydrophobicContact CB-CZ2 4.49Å; H705-W754 AromaticContact ND1-CD1 3.88Å; H705-W754 AromaticContact ND1-NE1 3.36Å; H705-W754 PolarHBondContact ND1-NE1 3.42Å; H705-H757 AromaticContact CE1-CD2 3.67Å; H705-H757 AromaticContact CE1-NE2 3.46Å; H705-H757 PolarHBondContact CE1-NE2 3.21Å; H705-W758 HydrophobicContact CB-CZ2 4.43Å; H705-W758 AromaticContact CD2-CZ2 3.7Å; H705-W758 AromaticContact CE1-CE2 3.86Å; H705-W758 AromaticContact CE1-CZ2 3.46Å; H705-W758 VanDerWaalsContact CE1-CZ2 3.44Å; H705-W758 WeakPolarHBondContact CE1-CZ2 3.35Å; H705-W758 AromaticContact CG-CZ2 3.69Å; H705-W758 AromaticContact ND1-CE2 3.88Å; H705-W758 AromaticContact ND1-CZ2 3.57Å; H705-W758 AromaticContact ND1-NE1 3.81Å; H705-W758 AromaticContact NE2-CH2 3.86Å; H705-W758 AromaticContact NE2-CZ2 3.57Å; H705-W758 WeakPolarHBondContact NE2-CZ2 3.32Å; H705-W758 WeakPolarHBondContact O-CZ2 3.22Å
706Q92.4Very high89.4Confident120.333 Ų120.33357.7 Ų57.756%0.56228%0.277SS*.Hα-helixtrans-62.1-40.7176.8-73.8174.7-9.200113L702 Y703 Y704 G709 Q710L702-Q706 WeakPolarHBondContact O-CB 3.49Å; L702-Q706 VanDerWaalsContact O-CG 3.26Å; L702-Q706 WeakPolarHBondContact O-CG 3.41Å; L702-Q706 PolarHBondContact O-N 3.13Å; Y703-Q706 CarbonylContact O-C 3.58Å; Y703-Q706 WeakPolarHBondContact O-CB 3.35Å; Y703-Q706 PolarHBondContact O-N 3.01Å; Y703-Q706 VanDerWaalsContact O-N 3.1Å; Y704-Q706 VanDerWaalsContact C-N 3.35Å; Y704-Q706 PolarHBondContact O-N 3.24Å; Q706-G709 CarbonylContact O-C 3.16Å; Q706-G709 WeakPolarHBondContact O-CA 3.46Å; Q706-G709 PolarHBondContact O-N 3.17Å; Q706-Q710 WeakPolarHBondContact O-CG 3.4Å; Q706-Q710 PolarHBondContact O-N 3.33Å
707Q93.4Very high89.5Confident51.6667 Ų51.666762 Ų6224%0.24130%0.295CS..Hα-helixtrans-64.3-43.3178.2-72.7-95.891.700112.3Y703 Y704 H705 G709 Q710 K711 I737Y703-Q707 HydrophobicContact CD1-CG 4.27Å; Y703-Q707 HydrophobicContact CD2-CG 4.37Å; Y703-Q707 HydrophobicContact CE1-CG 4.01Å; Y703-Q707 HydrophobicContact CE2-CG 4.06Å; Y703-Q707 HydrophobicContact CG-CG 4.4Å; Y703-Q707 VanDerWaalsContact CZ-NE2 3.3Å; Y703-Q707 VanDerWaalsContact O-CG 3.3Å; Y703-Q707 WeakPolarHBondContact O-CG 3.35Å; Y703-Q707 PolarHBondContact O-N 3.28Å; Y703-Q707 PolarHBondContact OH-NE2 2.82Å; Y704-Q707 PolarHBondContact O-N 2.75Å; H705-Q707 PolarHBondContact O-N 3.22Å; Q707-G709 VanDerWaalsContact C-N 3.29Å; Q707-G709 PolarHBondContact O-N 2.99Å; Q707-Q710 PolarHBondContact O-N 3.04Å; Q707-K711 WeakPolarHBondContact O-CG 3.25Å; Q707-K711 PolarHBondContact O-N 3.11Å; Q707-I737 HydrophobicContact CB-CD1 3.87Å
708I92.8Very high89.7Confident0 Ų061.1 Ų61.10%029%0.291CS..Hα-helixtrans-64-40.4174.4-64.2172.2000109.9Y704 H705 Q710 K711 I712 A734 I737 F738 W754 W758Y704-I708 VanDerWaalsContact O-CG1 3.32Å; Y704-I708 WeakPolarHBondContact O-CG1 3.34Å; Y704-I708 PolarHBondContact O-N 3.04Å; H705-I708 PolarHBondContact O-N 3Å; I708-Q710 PolarHBondContact O-N 3.01Å; I708-K711 PolarHBondContact O-N 3.13Å; I708-I712 HydrophobicContact CG2-CD1 3.74Å; I708-I712 HydrophobicContact CG2-CG1 4.3Å; I708-I712 WeakPolarHBondContact O-CG1 3.24Å; I708-I712 PolarHBondContact O-N 3.08Å; I708-A734 HydrophobicContact CG2-CB 4.49Å; I708-I737 HydrophobicContact CD1-CB 4.28Å; I708-I737 HydrophobicContact CD1-CG2 3.92Å; I708-I737 HydrophobicContact CG1-CB 4.16Å; I708-I737 HydrophobicContact CG1-CD1 3.87Å; I708-I737 HydrophobicContact CG1-CG2 3.97Å; I708-F738 HydrophobicContact CD1-CD1 4.42Å; I708-F738 HydrophobicContact CD1-CD2 4.25Å; I708-F738 HydrophobicContact CD1-CE1 4.03Å; I708-F738 HydrophobicContact CD1-CE2 3.8Å; I708-F738 HydrophobicContact CD1-CG 4.48Å; I708-F738 HydrophobicContact CD1-CZ 3.7Å; I708-W754 HydrophobicContact CD1-CH2 3.87Å; I708-W754 HydrophobicContact CD1-CZ2 3.57Å; I708-W758 HydrophobicContact CB-CD2 4.29Å; I708-W758 HydrophobicContact CB-CH2 4.5Å; I708-W758 HydrophobicContact CB-CZ2 4.04Å; I708-W758 HydrophobicContact CG2-CB 4.46Å; I708-W758 HydrophobicContact CG2-CD2 3.46Å; I708-W758 VanDerWaalsContact CG2-CD2 3.49Å; I708-W758 VanDerWaalsContact CG2-CE2 3.47Å; I708-W758 HydrophobicContact CG2-CE3 3.95Å; I708-W758 HydrophobicContact CG2-CG 3.71Å; I708-W758 HydrophobicContact CG2-CH2 4.38Å; I708-W758 HydrophobicContact CG2-CZ2 4.07Å; I708-W758 HydrophobicContact CG2-CZ3 4.37Å
709G92.8Very high89.8Confident20.3333 Ų20.333362.6 Ų62.621%0.2130%0.301CS..Hα-helixtrans-56.6-49175.100000113H705 Q706 Q707 K711 I712 D713 W758H705-G709 PolarHBondContact O-N 3.32Å; Q706-G709 CarbonylContact O-C 3.16Å; Q706-G709 WeakPolarHBondContact O-CA 3.46Å; Q706-G709 PolarHBondContact O-N 3.17Å; Q707-G709 VanDerWaalsContact C-N 3.29Å; Q707-G709 PolarHBondContact O-N 2.99Å; G709-K711 VanDerWaalsContact C-N 3.33Å; G709-K711 PolarHBondContact O-N 3.29Å; G709-I712 PolarHBondContact O-N 3.16Å; G709-D713 VanDerWaalsContact O-CB 3.28Å; G709-D713 WeakPolarHBondContact O-CB 3.17Å; G709-D713 PolarHBondContact O-N 3.07Å; G709-W758 VanDerWaalsContact N-CH2 3.28Å
710Q92.3Very high89.9Confident129.333 Ų129.33355.1 Ų55.160%0.60427%0.273SS*.Hα-helixtrans-61.4-40.3177-71.1175.45.400112.3Q706 Q707 I708 D713 S714Q706-Q710 WeakPolarHBondContact O-CG 3.4Å; Q706-Q710 PolarHBondContact O-N 3.33Å; Q707-Q710 PolarHBondContact O-N 3.04Å; I708-Q710 PolarHBondContact O-N 3.01Å; Q710-D713 PolarHBondContact O-N 2.98Å; Q710-S714 WeakPolarHBondContact O-CB 3.4Å; Q710-S714 PolarHBondContact O-N 3.09Å; Q710-S714 VanDerWaalsContact O-N 3.17Å
711K91.7Very high89.5Confident47.3333 Ų47.333354.2 Ų54.221%0.20627%0.27CS..Hα-helixtrans-64.8-44.4176.9-73.2-177.3-174-59.50111.9Q707 I708 G709 D713 S714 L715 T730 Q733 A734 I737Q707-K711 WeakPolarHBondContact O-CG 3.25Å; Q707-K711 PolarHBondContact O-N 3.11Å; I708-K711 PolarHBondContact O-N 3.13Å; G709-K711 VanDerWaalsContact C-N 3.33Å; G709-K711 PolarHBondContact O-N 3.29Å; K711-D713 VanDerWaalsContact C-N 3.33Å; K711-D713 PolarHBondContact O-N 3.24Å; K711-S714 PolarHBondContact O-N 3.12Å; K711-S714 PolarHBondContact O-OG 3.17Å; K711-L715 PolarHBondContact O-N 3.26Å; K711-T730 HydrophobicContact CB-CG2 3.79Å; K711-T730 HydrophobicContact CG-CG2 4.37Å; K711-T730 VanDerWaalsContact O-CG2 3.3Å; K711-T730 WeakPolarHBondContact O-CG2 3.21Å; K711-Q733 HydrophobicContact CD-CB 4.05Å; K711-A734 HydrophobicContact CD-CB 4.23Å; K711-I737 HydrophobicContact CD-CD1 4.16Å
712I91.7Very high89Confident8 Ų857.2 Ų57.24%0.04130%0.301CS..Hα-helixtrans-70.1-34.8178.1-69.1176000111.2I708 G709 L715 W758 L762 V765 F825I708-I712 HydrophobicContact CG2-CD1 3.74Å; I708-I712 HydrophobicContact CG2-CG1 4.3Å; I708-I712 WeakPolarHBondContact O-CG1 3.24Å; I708-I712 PolarHBondContact O-N 3.08Å; G709-I712 PolarHBondContact O-N 3.16Å; I712-L715 WeakPolarHBondContact O-CB 3.37Å; I712-L715 PolarHBondContact O-N 3.23Å; I712-W758 HydrophobicContact CD1-CB 4.35Å; I712-W758 HydrophobicContact CD1-CD2 4.05Å; I712-W758 HydrophobicContact CD1-CE3 3.38Å; I712-W758 VanDerWaalsContact CD1-CE3 3.44Å; I712-W758 HydrophobicContact CD1-CG 4.48Å; I712-W758 HydrophobicContact CD1-CZ3 4Å; I712-L762 HydrophobicContact CD1-CB 4.44Å; I712-V765 HydrophobicContact CG2-CB 4.41Å; I712-V765 HydrophobicContact CG2-CG2 3.75Å; I712-F825 HydrophobicContact CD1-CE2 4.13Å; I712-F825 HydrophobicContact CD1-CZ 4.42Å
713D90.6Very high88.9Confident90 Ų9058.9 Ų58.948%0.48131%0.308SS..Hα-helixtrans-64.9-39.9176.4-155.947.1000111.7G709 Q710 K711 L715 K716G709-D713 VanDerWaalsContact O-CB 3.28Å; G709-D713 WeakPolarHBondContact O-CB 3.17Å; G709-D713 PolarHBondContact O-N 3.07Å; Q710-D713 PolarHBondContact O-N 2.98Å; K711-D713 VanDerWaalsContact C-N 3.33Å; K711-D713 PolarHBondContact O-N 3.24Å; D713-L715 PolarHBondContact O-N 3.33Å; D713-K716 VanDerWaalsContact O-CB 3.25Å; D713-K716 WeakPolarHBondContact O-CB 3.41Å; D713-K716 WeakPolarHBondContact O-CG 3.24Å; D713-K716 PolarHBondContact O-N 3.14Å; D713-K716 VanDerWaalsContact O-N 3.08Å; D713-K716 VanDerWaalsContact OD1-CD 3.28Å; D713-K716 WeakPolarHBondContact OD1-CD 3.38Å; D713-K716 VanDerWaalsContact OD1-CE 3.26Å; D713-K716 WeakPolarHBondContact OD1-CE 3.47Å; D713-K716 IonicContact OD1-NZ 3.32Å; D713-K716 PolarHBondContact OD1-NZ 3.3Å
714S90.7Very high88.6Confident59.3333 Ų59.333357.3 Ų57.342%0.41530%0.304SS..Hα-helixtrans-61.6-26.1175.171.50000113.6Q710 K711 K716 E717 T718Q710-S714 WeakPolarHBondContact O-CB 3.4Å; Q710-S714 PolarHBondContact O-N 3.09Å; Q710-S714 VanDerWaalsContact O-N 3.17Å; K711-S714 PolarHBondContact O-N 3.12Å; K711-S714 PolarHBondContact O-OG 3.17Å; S714-K716 VanDerWaalsContact C-N 3.26Å; S714-K716 PolarHBondContact O-N 3.04Å; S714-E717 PolarHBondContact O-N 2.97Å; S714-T718 PolarHBondContact O-N 2.87Å; S714-T718 PolarHBondContact O-OG1 2.93Å
715L91.5Very high88.4Confident0 Ų062 Ų620%033%0.331CS..THydrogen-bonded Turntrans-73.3-16.7176.2-65.2178.1000113.1K711 I712 D713 E717 T718 W727 T730 L731 L762 V765K711-L715 PolarHBondContact O-N 3.26Å; I712-L715 WeakPolarHBondContact O-CB 3.37Å; I712-L715 PolarHBondContact O-N 3.23Å; D713-L715 PolarHBondContact O-N 3.33Å; L715-E717 VanDerWaalsContact C-N 3.25Å; L715-E717 PolarHBondContact O-N 3.24Å; L715-T718 HydrophobicContact CD2-CG2 4.46Å; L715-T718 PolarHBondContact O-N 3.26Å; L715-W727 HydrophobicContact CB-CH2 4.14Å; L715-W727 HydrophobicContact CB-CZ2 4.01Å; L715-W727 HydrophobicContact CB-CZ3 4.43Å; L715-W727 HydrophobicContact CD1-CD2 4.32Å; L715-W727 HydrophobicContact CD1-CE3 3.92Å; L715-W727 HydrophobicContact CD1-CZ3 4.06Å; L715-W727 HydrophobicContact CD2-CD2 3.92Å; L715-W727 HydrophobicContact CD2-CE3 4.36Å; L715-W727 HydrophobicContact CD2-CG 4Å; L715-W727 HydrophobicContact CG-CD2 4.47Å; L715-W727 WeakPolarHBondContact O-CZ2 3.4Å; L715-T730 HydrophobicContact CD1-CG2 4.02Å; L715-T730 HydrophobicContact CD2-CG2 4Å; L715-T730 HydrophobicContact CG-CG2 3.92Å; L715-L731 HydrophobicContact CD1-CD2 4.28Å; L715-L731 HydrophobicContact CD1-CG 4.49Å; L715-L762 HydrophobicContact CD1-CD1 4.33Å; L715-V765 HydrophobicContact CB-CG1 3.9Å
716K87.7Confident88.2Confident98.3333 Ų98.333364 Ų6443%0.42834%0.342SS..THydrogen-bonded Turntrans-65.3-26.3176.5-67.5178.4-175.9163.90113.4D713 S714 V765 Q769D713-K716 VanDerWaalsContact O-CB 3.25Å; D713-K716 WeakPolarHBondContact O-CB 3.41Å; D713-K716 WeakPolarHBondContact O-CG 3.24Å; D713-K716 PolarHBondContact O-N 3.14Å; D713-K716 VanDerWaalsContact O-N 3.08Å; D713-K716 VanDerWaalsContact OD1-CD 3.28Å; D713-K716 WeakPolarHBondContact OD1-CD 3.38Å; D713-K716 VanDerWaalsContact OD1-CE 3.26Å; D713-K716 WeakPolarHBondContact OD1-CE 3.47Å; D713-K716 IonicContact OD1-NZ 3.32Å; D713-K716 PolarHBondContact OD1-NZ 3.3Å; S714-K716 VanDerWaalsContact C-N 3.26Å; S714-K716 PolarHBondContact O-N 3.04Å; K716-V765 HydrophobicContact CB-CG1 4.44Å; K716-V765 HydrophobicContact CD-CG2 4.47Å; K716-V765 HydrophobicContact CG-CB 4.39Å; K716-V765 HydrophobicContact CG-CG1 3.81Å; K716-V765 HydrophobicContact CG-CG2 3.76Å; K716-Q769 PolarHBondContact O-NE2 2.95Å
717E86.1Confident88.1Confident182.333 Ų182.33358.6 Ų58.685%0.85232%0.316SS*.SBendtrans-101.8-8.9178.1-61.9-175.1170.500112.6S714 L715 S719S714-E717 PolarHBondContact O-N 2.97Å; L715-E717 VanDerWaalsContact C-N 3.25Å; L715-E717 PolarHBondContact O-N 3.24Å; E717-S719 PolarHBondContact O-N 2.93Å
718T87.6Confident87.8Confident16 Ų1664.4 Ų64.410%0.09834%0.336CS..SBendtrans-87.3116.3-176.4-57.30000110.4S714 L715 L720 Q723 I726 W727 Q769S714-T718 PolarHBondContact O-N 2.87Å; S714-T718 PolarHBondContact O-OG1 2.93Å; L715-T718 HydrophobicContact CD2-CG2 4.46Å; L715-T718 PolarHBondContact O-N 3.26Å; T718-L720 PolarHBondContact O-N 3.18Å; T718-L720 VanDerWaalsContact O-N 3.12Å; T718-Q723 HydrophobicContact CG2-CB 3.74Å; T718-I726 HydrophobicContact CG2-CB 3.98Å; T718-I726 HydrophobicContact CG2-CG2 3.85Å; T718-W727 PolarHBondContact O-NE1 3.28Å; T718-Q769 PolarHBondContact O-OE1 3.16Å
719S85.7Confident87.7Confident46 Ų4669.8 Ų69.832%0.32236%0.361SS..  trans-63120.2-177.4176.20000112.2E717 L721 G722 Q723E717-S719 PolarHBondContact O-N 2.93Å; S719-L721 VanDerWaalsContact C-N 3.28Å; S719-L721 PolarHBondContact O-N 3.21Å; S719-L721 PolarHBondContact OG-N 2.89Å; S719-G722 PolarHBondContact O-N 3.23Å; S719-G722 PolarHBondContact OG-N 3.2Å; S719-Q723 WeakPolarHBondContact O-CA 3.45Å; S719-Q723 WeakPolarHBondContact O-CB 3.13Å; S719-Q723 PolarHBondContact O-N 3.29Å
720L85.5Confident87.6Confident4.33333 Ų4.3333369.6 Ų69.62%0.02336%0.356CS..THydrogen-bonded Turntrans-63.4-27.2176.7-171.368.6000112.7T718 Q724 W727 L766 Q769 Y770 F815 I818T718-L720 PolarHBondContact O-N 3.18Å; T718-L720 VanDerWaalsContact O-N 3.12Å; L720-Q724 WeakPolarHBondContact O-CG 3.39Å; L720-Q724 PolarHBondContact O-NE2 2.97Å; L720-W727 HydrophobicContact CB-CZ2 4.35Å; L720-W727 HydrophobicContact CD1-CD2 3.83Å; L720-W727 HydrophobicContact CD1-CE3 4.19Å; L720-W727 HydrophobicContact CD1-CG 4.2Å; L720-W727 HydrophobicContact CD1-CH2 4.38Å; L720-W727 HydrophobicContact CD1-CZ2 4.2Å; L720-W727 HydrophobicContact CD1-CZ3 4.34Å; L720-L766 HydrophobicContact CD1-CD1 4.1Å; L720-L766 HydrophobicContact CD2-CD1 3.92Å; L720-Q769 HydrophobicContact CB-CB 4.1Å; L720-Y770 HydrophobicContact CD2-CD2 4.32Å; L720-F815 HydrophobicContact CB-CE2 4.24Å; L720-F815 HydrophobicContact CD2-CE2 4Å; L720-F815 HydrophobicContact CD2-CZ 4.16Å; L720-F815 HydrophobicContact CG-CE2 4.06Å; L720-I818 HydrophobicContact CD1-CG2 4.2Å; L720-I818 HydrophobicContact CD2-CB 4.47Å; L720-I818 HydrophobicContact CD2-CD1 4.14Å; L720-I818 HydrophobicContact CD2-CG2 4.2Å; L720-I818 HydrophobicContact CG-CD1 4.26Å; L720-I818 HydrophobicContact CG-CG2 4.43Å
721L77.6Confident87.5Confident38.6667 Ų38.666764.9 Ų64.920%0.20234%0.335CS..THydrogen-bonded Turntrans-80.2-45.3-179.9-15181.5000112.2S719 L777 T780 M781 F815S719-L721 VanDerWaalsContact C-N 3.28Å; S719-L721 PolarHBondContact O-N 3.21Å; S719-L721 PolarHBondContact OG-N 2.89Å; L721-L777 HydrophobicContact CD1-CD1 3.47Å; L721-L777 VanDerWaalsContact CD1-CD1 3.44Å; L721-L777 HydrophobicContact CD2-CD1 4.04Å; L721-L777 HydrophobicContact CG-CD1 4.35Å; L721-T780 WeakPolarHBondContact CD2-OG1 3.47Å; L721-M781 HydrophobicContact CD2-CG 4.34Å; L721-M781 HydrophobicContact CD2-SD 3.94Å; L721-F815 HydrophobicContact CB-CD2 4.3Å; L721-F815 HydrophobicContact CB-CE2 3.84Å; L721-F815 HydrophobicContact CB-CZ 4.46Å; L721-F815 HydrophobicContact CD1-CB 4.21Å; L721-F815 HydrophobicContact CD1-CD1 4.39Å; L721-F815 HydrophobicContact CD1-CD2 3.29Å; L721-F815 HydrophobicContact CD1-CE1 4.27Å; L721-F815 HydrophobicContact CD1-CE2 3.55Å; L721-F815 HydrophobicContact CD1-CG 3.76Å; L721-F815 HydrophobicContact CD1-CZ 4.21Å; L721-F815 HydrophobicContact CG-CD2 4.09Å; L721-F815 HydrophobicContact CG-CE2 4.17Å; L721-F815 HydrophobicContact CG-CG 4.3Å
722G77.5Confident87.4Confident65.6667 Ų65.666767.7 Ų67.768%0.67735%0.351SS*.THydrogen-bonded Turntrans-91.7-25.7-173.900000115.1S719S719-G722 PolarHBondContact O-N 3.23Å; S719-G722 PolarHBondContact OG-N 3.2Å
723Q84.7Confident87.4Confident85 Ų8571.1 Ų71.140%0.39737%0.367SS..  trans-126.940.2-165.5-67.7173.6-26.800113T718 S719 L725 I726 W727T718-Q723 HydrophobicContact CG2-CB 3.74Å; S719-Q723 WeakPolarHBondContact O-CA 3.45Å; S719-Q723 WeakPolarHBondContact O-CB 3.13Å; S719-Q723 PolarHBondContact O-N 3.29Å; Q723-L725 PolarHBondContact O-N 3.33Å; Q723-L725 VanDerWaalsContact O-N 3.14Å; Q723-I726 HydrophobicContact CB-CB 4.38Å; Q723-I726 HydrophobicContact CB-CD1 3.97Å; Q723-I726 HydrophobicContact CB-CG1 4.26Å; Q723-I726 HydrophobicContact CG-CD1 4.04Å; Q723-I726 WeakPolarHBondContact O-CB 3.33Å; Q723-I726 PolarHBondContact O-N 3Å; Q723-I726 VanDerWaalsContact O-N 3.08Å; Q723-W727 PolarHBondContact O-N 3.34Å
724Q84.8Confident87.4Confident85 Ų8566.9 Ų66.940%0.39735%0.345SS..Hα-helixtrans-57.6-29.4-179.8-66.5-179.96.500114.2L720 W727 R728 I818L720-Q724 WeakPolarHBondContact O-CG 3.39Å; L720-Q724 PolarHBondContact O-NE2 2.97Å; Q724-W727 WeakPolarHBondContact O-CB 3.4Å; Q724-W727 PolarHBondContact O-N 2.97Å; Q724-R728 PolarHBondContact O-N 2.88Å; Q724-R728 VanDerWaalsContact O-N 3.11Å; Q724-I818 VanDerWaalsContact NE2-CD1 3.28Å
725L86.1Confident87.3Confident125.333 Ų125.33365 Ų6566%0.65633%0.334SS*.Hα-helixtrans-65.6-42.8176.3-70.2173.7000111.6Q723 W727 R728 E729Q723-L725 PolarHBondContact O-N 3.33Å; Q723-L725 VanDerWaalsContact O-N 3.14Å; L725-W727 VanDerWaalsContact C-N 3.32Å; L725-W727 PolarHBondContact O-N 3.24Å; L725-R728 PolarHBondContact O-N 3.38Å; L725-R728 VanDerWaalsContact O-N 3.14Å; L725-E729 WeakPolarHBondContact O-CG 3.4Å; L725-E729 PolarHBondContact O-N 3.42Å
726I88.5Confident87.3Confident70.3333 Ų70.333370.7 Ų70.736%0.36136%0.361SS..Hα-helixtrans-63.3-42178-57.9-178.1000110T718 Q723 R728 E729 T730T718-I726 HydrophobicContact CG2-CB 3.98Å; T718-I726 HydrophobicContact CG2-CG2 3.85Å; Q723-I726 HydrophobicContact CB-CB 4.38Å; Q723-I726 HydrophobicContact CB-CD1 3.97Å; Q723-I726 HydrophobicContact CB-CG1 4.26Å; Q723-I726 HydrophobicContact CG-CD1 4.04Å; Q723-I726 WeakPolarHBondContact O-CB 3.33Å; Q723-I726 PolarHBondContact O-N 3Å; Q723-I726 VanDerWaalsContact O-N 3.08Å; I726-R728 VanDerWaalsContact C-N 3.34Å; I726-R728 PolarHBondContact O-N 2.97Å; I726-E729 PolarHBondContact O-N 3.2Å; I726-T730 VanDerWaalsContact O-CB 3.29Å; I726-T730 WeakPolarHBondContact O-CB 3.23Å; I726-T730 PolarHBondContact O-N 3.16Å; I726-T730 PolarHBondContact O-OG1 3.23Å
727W90.9Very high87.4Confident6.66667 Ų6.6666766.9 Ų66.93%0.02535%0.345CS..Hα-helixtrans-56-49.5172.3-86.578.3000112L715 T718 L720 Q723 Q724 L725 E729 T730 L731 L762 V765 L766 Q769 F822L715-W727 HydrophobicContact CB-CH2 4.14Å; L715-W727 HydrophobicContact CB-CZ2 4.01Å; L715-W727 HydrophobicContact CB-CZ3 4.43Å; L715-W727 HydrophobicContact CD1-CD2 4.32Å; L715-W727 HydrophobicContact CD1-CE3 3.92Å; L715-W727 HydrophobicContact CD1-CZ3 4.06Å; L715-W727 HydrophobicContact CD2-CD2 3.92Å; L715-W727 HydrophobicContact CD2-CE3 4.36Å; L715-W727 HydrophobicContact CD2-CG 4Å; L715-W727 HydrophobicContact CG-CD2 4.47Å; L715-W727 WeakPolarHBondContact O-CZ2 3.4Å; T718-W727 PolarHBondContact O-NE1 3.28Å; L720-W727 HydrophobicContact CB-CZ2 4.35Å; L720-W727 HydrophobicContact CD1-CD2 3.83Å; L720-W727 HydrophobicContact CD1-CE3 4.19Å; L720-W727 HydrophobicContact CD1-CG 4.2Å; L720-W727 HydrophobicContact CD1-CH2 4.38Å; L720-W727 HydrophobicContact CD1-CZ2 4.2Å; L720-W727 HydrophobicContact CD1-CZ3 4.34Å; Q723-W727 PolarHBondContact O-N 3.34Å; Q724-W727 WeakPolarHBondContact O-CB 3.4Å; Q724-W727 PolarHBondContact O-N 2.97Å; L725-W727 VanDerWaalsContact C-N 3.32Å; L725-W727 PolarHBondContact O-N 3.24Å; W727-E729 PolarHBondContact O-N 3.14Å; W727-T730 PolarHBondContact O-N 2.89Å; W727-L731 WeakPolarHBondContact O-CB 3.36Å; W727-L731 VanDerWaalsContact O-CG 3.24Å; W727-L731 WeakPolarHBondContact O-CG 3.37Å; W727-L731 PolarHBondContact O-N 3.1Å; W727-L731 VanDerWaalsContact O-N 3.09Å; W727-L762 HydrophobicContact CZ3-CD1 4.14Å; W727-V765 HydrophobicContact CH2-CG1 3.92Å; W727-V765 HydrophobicContact CZ2-CG1 4.4Å; W727-L766 HydrophobicContact CH2-CB 4.48Å; W727-L766 HydrophobicContact CH2-CD1 4.31Å; W727-L766 HydrophobicContact CZ3-CB 4.47Å; W727-L766 HydrophobicContact CZ3-CD1 4.09Å; W727-Q769 HydrophobicContact CH2-CB 4.41Å; W727-Q769 HydrophobicContact CZ2-CB 3.93Å; W727-Q769 HydrophobicContact CZ2-CG 3.94Å; W727-F822 HydrophobicContact CE3-CE2 4.13Å; W727-F822 HydrophobicContact CE3-CZ 4.24Å; W727-F822 HydrophobicContact CZ3-CE2 4.21Å; W727-F822 HydrophobicContact CZ3-CZ 4.23Å
728R87.7Confident87.6Confident174 Ų17458.2 Ų58.266%0.65731%0.305SS*.Hα-helixtrans-62.9-44.4-179.3-170.6-179.3-100.6-180-2.3112.1Q724 L725 I726 L731 L732Q724-R728 PolarHBondContact O-N 2.88Å; Q724-R728 VanDerWaalsContact O-N 3.11Å; L725-R728 PolarHBondContact O-N 3.38Å; L725-R728 VanDerWaalsContact O-N 3.14Å; I726-R728 VanDerWaalsContact C-N 3.34Å; I726-R728 PolarHBondContact O-N 2.97Å; R728-L731 PolarHBondContact O-N 2.86Å; R728-L732 HydrophobicContact CG-CD1 4.25Å; R728-L732 WeakPolarHBondContact O-CB 3.24Å; R728-L732 WeakPolarHBondContact O-CD1 3.3Å; R728-L732 VanDerWaalsContact O-CG 3.3Å; R728-L732 WeakPolarHBondContact O-CG 3.32Å; R728-L732 PolarHBondContact O-N 2.96Å; R728-L732 VanDerWaalsContact O-N 3.09Å
729E90Very high87.6Confident114.333 Ų114.33361 Ų6153%0.53432%0.319SS..Hα-helixtrans-65-44178.5-73.5178.2-179.400112.1L725 I726 W727 L731 L732 Q733L725-E729 WeakPolarHBondContact O-CG 3.4Å; L725-E729 PolarHBondContact O-N 3.42Å; I726-E729 PolarHBondContact O-N 3.2Å; W727-E729 PolarHBondContact O-N 3.14Å; E729-L731 VanDerWaalsContact C-N 3.33Å; E729-L731 PolarHBondContact O-N 3.04Å; E729-L732 WeakPolarHBondContact O-CB 3.33Å; E729-L732 PolarHBondContact O-N 3.03Å; E729-Q733 VanDerWaalsContact O-CG 3.29Å; E729-Q733 WeakPolarHBondContact O-CG 3.31Å; E729-Q733 PolarHBondContact O-N 3.15Å
730T91.2Very high87.8Confident14.6667 Ų14.666762.1 Ų62.19%0.0932%0.319CS..Hα-helixtrans-64.5-39.3179.7-56.60000111.7K711 L715 I726 W727 Q733 A734K711-T730 HydrophobicContact CB-CG2 3.79Å; K711-T730 HydrophobicContact CG-CG2 4.37Å; K711-T730 VanDerWaalsContact O-CG2 3.3Å; K711-T730 WeakPolarHBondContact O-CG2 3.21Å; L715-T730 HydrophobicContact CD1-CG2 4.02Å; L715-T730 HydrophobicContact CD2-CG2 4Å; L715-T730 HydrophobicContact CG-CG2 3.92Å; I726-T730 VanDerWaalsContact O-CB 3.29Å; I726-T730 WeakPolarHBondContact O-CB 3.23Å; I726-T730 PolarHBondContact O-N 3.16Å; I726-T730 PolarHBondContact O-OG1 3.23Å; W727-T730 PolarHBondContact O-N 2.89Å; T730-Q733 PolarHBondContact O-N 3.3Å; T730-A734 WeakPolarHBondContact O-CB 3.41Å; T730-A734 PolarHBondContact O-N 3.4Å
731L90.1Very high87.8Confident31.3333 Ų31.333361.9 Ų61.916%0.16432%0.318CS..Hα-helixtrans-68.9-37.6175.7-68173.4000112.6L715 W727 R728 E729 A734 G735 L762 F822 F825L715-L731 HydrophobicContact CD1-CD2 4.28Å; L715-L731 HydrophobicContact CD1-CG 4.49Å; W727-L731 WeakPolarHBondContact O-CB 3.36Å; W727-L731 VanDerWaalsContact O-CG 3.24Å; W727-L731 WeakPolarHBondContact O-CG 3.37Å; W727-L731 PolarHBondContact O-N 3.1Å; W727-L731 VanDerWaalsContact O-N 3.09Å; R728-L731 PolarHBondContact O-N 2.86Å; E729-L731 VanDerWaalsContact C-N 3.33Å; E729-L731 PolarHBondContact O-N 3.04Å; L731-A734 PolarHBondContact O-N 3.17Å; L731-G735 PolarHBondContact O-N 3.28Å; L731-L762 HydrophobicContact CD2-CD1 3.89Å; L731-L762 HydrophobicContact CD2-CD2 3.53Å; L731-L762 HydrophobicContact CD2-CG 4.38Å; L731-F822 HydrophobicContact CD1-CE1 4.38Å; L731-F822 HydrophobicContact CD1-CE2 3.91Å; L731-F822 HydrophobicContact CD1-CZ 3.53Å; L731-F822 HydrophobicContact CD2-CZ 4.32Å; L731-F825 HydrophobicContact CD2-CE1 4.27Å; L731-F825 HydrophobicContact CD2-CZ 3.89Å
732L89.9Confident88.2Confident107 Ų10764.2 Ų64.256%0.5633%0.327SS*.Hα-helixtrans-61.6-47.2172.8-80.5163.7000111.1R728 E729 A734 G735 E736R728-L732 HydrophobicContact CG-CD1 4.25Å; R728-L732 WeakPolarHBondContact O-CB 3.24Å; R728-L732 WeakPolarHBondContact O-CD1 3.3Å; R728-L732 VanDerWaalsContact O-CG 3.3Å; R728-L732 WeakPolarHBondContact O-CG 3.32Å; R728-L732 PolarHBondContact O-N 2.96Å; R728-L732 VanDerWaalsContact O-N 3.09Å; E729-L732 WeakPolarHBondContact O-CB 3.33Å; E729-L732 PolarHBondContact O-N 3.03Å; L732-A734 VanDerWaalsContact C-N 3.3Å; L732-A734 PolarHBondContact O-N 3.08Å; L732-G735 CarbonylContact O-C 3.54Å; L732-G735 WeakPolarHBondContact O-CA 3.34Å; L732-G735 PolarHBondContact O-N 3.31Å; L732-E736 WeakPolarHBondContact O-CG 3.34Å; L732-E736 PolarHBondContact O-N 3.05Å
733Q90.8Very high88.5Confident79.6667 Ų79.666769.5 Ų69.537%0.37233%0.327SS..Hα-helixtrans-62.8-35.1176.8-68.6172.613.900112.7K711 E729 T730 G735 E736 I737K711-Q733 HydrophobicContact CD-CB 4.05Å; E729-Q733 VanDerWaalsContact O-CG 3.29Å; E729-Q733 WeakPolarHBondContact O-CG 3.31Å; E729-Q733 PolarHBondContact O-N 3.15Å; T730-Q733 PolarHBondContact O-N 3.3Å; Q733-G735 VanDerWaalsContact C-N 3.34Å; Q733-E736 PolarHBondContact O-N 3.48Å; Q733-I737 WeakPolarHBondContact O-CG1 3.38Å; Q733-I737 PolarHBondContact O-N 2.76Å
734A91Very high88.3Confident1.33333 Ų1.3333369.3 Ų69.31%0.01133%0.328CS..Hα-helixtrans-68.9-37.2172.800000111.6I708 K711 T730 L731 L732 I737 F738 F825I708-A734 HydrophobicContact CG2-CB 4.49Å; K711-A734 HydrophobicContact CD-CB 4.23Å; T730-A734 WeakPolarHBondContact O-CB 3.41Å; T730-A734 PolarHBondContact O-N 3.4Å; L731-A734 PolarHBondContact O-N 3.17Å; L732-A734 VanDerWaalsContact C-N 3.3Å; L732-A734 PolarHBondContact O-N 3.08Å; A734-I737 PolarHBondContact O-N 3.1Å; A734-F738 VanDerWaalsContact O-CD2 3.28Å; A734-F738 WeakPolarHBondContact O-CD2 3.42Å; A734-F738 PolarHBondContact O-N 3.25Å; A734-F825 HydrophobicContact CB-CE1 3.69Å; A734-F825 HydrophobicContact CB-CZ 3.78Å
735G89.1Confident87.7Confident18.3333 Ų18.333368 Ų6819%0.18934%0.337CS..Hα-helixtrans-58-46.3171.800000113L731 L732 Q733 I737 F738 D739L731-G735 PolarHBondContact O-N 3.28Å; L732-G735 CarbonylContact O-C 3.54Å; L732-G735 WeakPolarHBondContact O-CA 3.34Å; L732-G735 PolarHBondContact O-N 3.31Å; Q733-G735 VanDerWaalsContact C-N 3.34Å; G735-I737 PolarHBondContact O-N 3.14Å; G735-F738 WeakPolarHBondContact O-CB 3.41Å; G735-F738 PolarHBondContact O-N 3.07Å; G735-D739 PolarHBondContact O-N 3.29Å; G735-D739 VanDerWaalsContact O-N 3.12Å
736E90.1Very high87.2Confident119.667 Ų119.66762.2 Ų62.256%0.55931%0.308SS*.Hα-helixtrans-59-32.2178.4-71.3173.2173.900113L732 Q733 D739 E740L732-E736 WeakPolarHBondContact O-CG 3.34Å; L732-E736 PolarHBondContact O-N 3.05Å; Q733-E736 PolarHBondContact O-N 3.48Å; E736-D739 PolarHBondContact O-N 3.38Å; E736-E740 WeakPolarHBondContact O-CB 3.18Å; E736-E740 PolarHBondContact O-N 3.12Å
737I91.3Very high86.8Confident19 Ų1961 Ų6110%0.09731%0.305CS..Hα-helixtrans-67.4-38.8175.8-63.9168.1000110.9Y704 Q707 I708 K711 Q733 A734 G735 D739 E740 A741 W754Y704-I737 HydrophobicContact CD1-CG2 3.93Å; Y704-I737 HydrophobicContact CD2-CG2 4.44Å; Y704-I737 HydrophobicContact CG-CG2 3.78Å; Q707-I737 HydrophobicContact CB-CD1 3.87Å; I708-I737 HydrophobicContact CD1-CB 4.28Å; I708-I737 HydrophobicContact CD1-CG2 3.92Å; I708-I737 HydrophobicContact CG1-CB 4.16Å; I708-I737 HydrophobicContact CG1-CD1 3.87Å; I708-I737 HydrophobicContact CG1-CG2 3.97Å; K711-I737 HydrophobicContact CD-CD1 4.16Å; Q733-I737 WeakPolarHBondContact O-CG1 3.38Å; Q733-I737 PolarHBondContact O-N 2.76Å; A734-I737 PolarHBondContact O-N 3.1Å; G735-I737 PolarHBondContact O-N 3.14Å; I737-D739 VanDerWaalsContact C-N 3.34Å; I737-E740 PolarHBondContact O-N 3.11Å; I737-A741 WeakPolarHBondContact O-CB 3.5Å; I737-A741 PolarHBondContact O-N 3.17Å; I737-W754 HydrophobicContact CG2-CH2 4.43Å
738F89.9Confident86.2Confident0.666667 Ų0.66666763.1 Ų63.10%0.00332%0.324CS..Hα-helixtrans-65.5-41.3173.7-70.1-73.2000111.5I708 A734 G735 E740 A741 E742 W754 R755 W758 F825I708-F738 HydrophobicContact CD1-CD1 4.42Å; I708-F738 HydrophobicContact CD1-CD2 4.25Å; I708-F738 HydrophobicContact CD1-CE1 4.03Å; I708-F738 HydrophobicContact CD1-CE2 3.8Å; I708-F738 HydrophobicContact CD1-CG 4.48Å; I708-F738 HydrophobicContact CD1-CZ 3.7Å; A734-F738 VanDerWaalsContact O-CD2 3.28Å; A734-F738 WeakPolarHBondContact O-CD2 3.42Å; A734-F738 PolarHBondContact O-N 3.25Å; G735-F738 WeakPolarHBondContact O-CB 3.41Å; G735-F738 PolarHBondContact O-N 3.07Å; F738-E740 VanDerWaalsContact C-N 3.3Å; F738-E740 PolarHBondContact O-N 3.04Å; F738-A741 WeakPolarHBondContact O-CB 3.44Å; F738-A741 PolarHBondContact O-N 3.13Å; F738-E742 PolarHBondContact O-N 2.89Å; F738-W754 HydrophobicContact CD1-CD2 4.24Å; F738-W754 AromaticContact CD1-CE3 3.56Å; F738-W754 HydrophobicContact CD1-CE3 3.56Å; F738-W754 AromaticContact CD1-CH2 3.93Å; F738-W754 HydrophobicContact CD1-CH2 3.97Å; F738-W754 HydrophobicContact CD1-CZ2 4.48Å; F738-W754 AromaticContact CD1-CZ3 3.4Å; F738-W754 HydrophobicContact CD1-CZ3 3.4Å; F738-W754 VanDerWaalsContact CD1-CZ3 3.44Å; F738-W754 AromaticContact CE1-CD2 3.69Å; F738-W754 HydrophobicContact CE1-CD2 3.69Å; F738-W754 AromaticContact CE1-CE2 3.96Å; F738-W754 AromaticContact CE1-CE3 3.5Å; F738-W754 HydrophobicContact CE1-CE3 3.5Å; F738-W754 VanDerWaalsContact CE1-CE3 3.47Å; F738-W754 HydrophobicContact CE1-CG 4.33Å; F738-W754 HydrophobicContact CE1-CH2 4.07Å; F738-W754 HydrophobicContact CE1-CZ2 4.26Å; F738-W754 AromaticContact CE1-CZ3 3.7Å; F738-W754 HydrophobicContact CE1-CZ3 3.7Å; F738-W754 HydrophobicContact CG-CZ3 4.44Å; F738-R755 VanDerWaalsContact CB-CZ 3.5Å; F738-R755 HydrophobicContact CD1-CG 3.78Å; F738-R755 HydrophobicContact CE1-CB 4.45Å; F738-R755 HydrophobicContact CE1-CG 3.59Å; F738-R755 HydrophobicContact CG-CG 4.43Å; F738-R755 HydrophobicContact CZ-CG 4.08Å; F738-W758 HydrophobicContact CZ-CB 4.21Å; F738-W758 AromaticContact CZ-CD1 3.67Å; F738-W758 HydrophobicContact CZ-CG 4.25Å; F738-F825 HydrophobicContact CD2-CB 4.32Å; F738-F825 AromaticContact CD2-CD1 3.81Å; F738-F825 HydrophobicContact CD2-CD1 4.04Å; F738-F825 HydrophobicContact CD2-CE1 4.43Å; F738-F825 HydrophobicContact CD2-CG 4.23Å; F738-F825 HydrophobicContact CE2-CB 3.77Å; F738-F825 AromaticContact CE2-CD1 3.58Å; F738-F825 HydrophobicContact CE2-CD1 3.58Å; F738-F825 AromaticContact CE2-CD2 3.9Å; F738-F825 HydrophobicContact CE2-CD2 3.9Å; F738-F825 AromaticContact CE2-CE1 3.89Å; F738-F825 HydrophobicContact CE2-CE1 4.12Å; F738-F825 HydrophobicContact CE2-CE2 4.39Å; F738-F825 AromaticContact CE2-CG 3.46Å; F738-F825 HydrophobicContact CE2-CG 3.46Å; F738-F825 HydrophobicContact CE2-CZ 4.3Å; F738-F825 HydrophobicContact CZ-CB 4.2Å; F738-F825 HydrophobicContact CZ-CD1 4.42Å; F738-F825 HydrophobicContact CZ-CD2 4.26Å; F738-F825 AromaticContact CZ-CG 3.95Å; F738-F825 HydrophobicContact CZ-CG 4.12Å
739D87.9Confident85.9Confident73.3333 Ų73.333361.4 Ų61.439%0.39232%0.324SS..Hα-helixtrans-66.1-35.1178.4-62.6-17000111.5G735 E736 I737 E742 R743 R755G735-D739 PolarHBondContact O-N 3.29Å; G735-D739 VanDerWaalsContact O-N 3.12Å; E736-D739 PolarHBondContact O-N 3.38Å; I737-D739 VanDerWaalsContact C-N 3.34Å; D739-E742 WeakPolarHBondContact O-CB 3.47Å; D739-E742 PolarHBondContact O-N 3.07Å; D739-R743 WeakPolarHBondContact O-CG 3.32Å; D739-R743 PolarHBondContact O-N 3.22Å; D739-R743 VanDerWaalsContact O-N 3.11Å; D739-R743 PolarHBondContact O-NE 3.26Å; D739-R755 IonicContact OD1-NH2 3.32Å
740E88.5Confident85.7Confident70.3333 Ų70.333357.4 Ų57.433%0.32931%0.306SS..Hα-helixtrans-66.6-42.1172.4-172.990.9-158.100112.1Y704 E736 I737 F738 E742 R743 L744Y704-E740 HydrophobicContact CE2-CG 4.39Å; Y704-E740 VanDerWaalsContact OH-CG 3.25Å; Y704-E740 WeakPolarHBondContact OH-CG 3.45Å; E736-E740 WeakPolarHBondContact O-CB 3.18Å; E736-E740 PolarHBondContact O-N 3.12Å; I737-E740 PolarHBondContact O-N 3.11Å; F738-E740 VanDerWaalsContact C-N 3.3Å; F738-E740 PolarHBondContact O-N 3.04Å; E740-E742 VanDerWaalsContact C-N 3.28Å; E740-E742 PolarHBondContact O-N 3.06Å; E740-R743 PolarHBondContact O-N 3.24Å; E740-R743 IonicContact OE2-CZ 3.25Å; E740-R743 IonicContact OE2-NE 2.96Å; E740-R743 PolarHBondContact OE2-NE 2.93Å; E740-R743 IonicContact OE2-NH1 3.7Å; E740-R743 PolarHBondContact OE2-NH1 2.78Å; E740-R743 VanDerWaalsContact OE2-NH1 3.17Å; E740-R743 IonicContact OE2-NH2 3.14Å; E740-R743 PolarHBondContact OE2-NH2 3.1Å; E740-L744 HydrophobicContact CG-CD1 4.15Å; E740-L744 WeakPolarHBondContact O-CG 3.44Å; E740-L744 PolarHBondContact O-N 3.2Å; E740-L744 VanDerWaalsContact O-N 3.1Å
741A86.9Confident85.5Confident0 Ų056.7 Ų56.70%030%0.302CS..Hα-helixtrans-61.7-35.4174.300000112M644 F701 Y704 I737 F738 L744 A746 M751 W754M644-A741 HydrophobicContact CE-CB 4.17Å; F701-A741 HydrophobicContact CE1-CB 4.26Å; Y704-A741 HydrophobicContact CD2-CB 4.06Å; Y704-A741 HydrophobicContact CE2-CB 4.26Å; I737-A741 WeakPolarHBondContact O-CB 3.5Å; I737-A741 PolarHBondContact O-N 3.17Å; F738-A741 WeakPolarHBondContact O-CB 3.44Å; F738-A741 PolarHBondContact O-N 3.13Å; A741-L744 PolarHBondContact O-N 3.27Å; A741-A746 WeakPolarHBondContact O-CB 3.34Å; A741-A746 PolarHBondContact O-N 3.25Å; A741-M751 HydrophobicContact CB-CE 3.47Å; A741-M751 VanDerWaalsContact CB-CE 3.47Å; A741-M751 HydrophobicContact CB-SD 4.19Å; A741-M751 WeakPolarHBondContact O-CE 3.38Å; A741-W754 HydrophobicContact CB-CH2 4.32Å; A741-W754 HydrophobicContact CB-CZ3 3.85Å
742E85.4Confident85.3Confident86 Ų8660 Ų6040%0.40232%0.315SS..Hα-helixtrans-68-44.5176.9-164.1164.6172.500111.3F738 D739 E740 L744 G745 M751 R755F738-E742 PolarHBondContact O-N 2.89Å; D739-E742 WeakPolarHBondContact O-CB 3.47Å; D739-E742 PolarHBondContact O-N 3.07Å; E740-E742 VanDerWaalsContact C-N 3.28Å; E740-E742 PolarHBondContact O-N 3.06Å; E742-L744 PolarHBondContact O-N 3.12Å; E742-G745 PolarHBondContact O-N 3.26Å; E742-G745 VanDerWaalsContact O-N 3.08Å; E742-M751 HydrophobicContact CB-CE 3.65Å; E742-M751 HydrophobicContact CB-SD 4.4Å; E742-M751 HydrophobicContact CG-CE 3.65Å; E742-M751 WeakPolarHBondContact OE2-CE 3.37Å; E742-R755 IonicContact OE2-NH2 3.38Å
743R83.5Confident85.2Confident176.667 Ų176.66757.6 Ų57.667%0.66731%0.305SS*.Hα-helixtrans-59.2-30.6174.8-75.4-173.7-73.8-1332.1113D739 E740 G745D739-R743 WeakPolarHBondContact O-CG 3.32Å; D739-R743 PolarHBondContact O-N 3.22Å; D739-R743 VanDerWaalsContact O-N 3.11Å; D739-R743 PolarHBondContact O-NE 3.26Å; E740-R743 PolarHBondContact O-N 3.24Å; E740-R743 IonicContact OE2-CZ 3.25Å; E740-R743 IonicContact OE2-NE 2.96Å; E740-R743 PolarHBondContact OE2-NE 2.93Å; E740-R743 IonicContact OE2-NH1 3.7Å; E740-R743 PolarHBondContact OE2-NH1 2.78Å; E740-R743 VanDerWaalsContact OE2-NH1 3.17Å; E740-R743 IonicContact OE2-NH2 3.14Å; E740-R743 PolarHBondContact OE2-NH2 3.1Å; R743-G745 VanDerWaalsContact C-N 3.26Å; R743-G745 PolarHBondContact O-N 3.26Å
744L79.9Confident85.3Confident81.6667 Ų81.666753.8 Ų53.843%0.42829%0.288SS..THydrogen-bonded Turntrans-82.93.5178.3-68.8167.9000114.1L697 M700 Y704 E740 A741 E742L697-L744 HydrophobicContact CD2-CB 4.3Å; M700-L744 HydrophobicContact CE-CB 4.35Å; M700-L744 HydrophobicContact CE-CD1 4.31Å; M700-L744 HydrophobicContact SD-CD1 3.75Å; Y704-L744 HydrophobicContact CE2-CD1 3.95Å; Y704-L744 VanDerWaalsContact OH-CD1 3.25Å; Y704-L744 WeakPolarHBondContact OH-CD1 3.32Å; E740-L744 HydrophobicContact CG-CD1 4.15Å; E740-L744 WeakPolarHBondContact O-CG 3.44Å; E740-L744 PolarHBondContact O-N 3.2Å; E740-L744 VanDerWaalsContact O-N 3.1Å; A741-L744 PolarHBondContact O-N 3.27Å; E742-L744 PolarHBondContact O-N 3.12Å
745G73.6Confident85.2Confident56.6667 Ų56.666754.9 Ų54.958%0.58429%0.292SS*.THydrogen-bonded Turntrans102.910.1169.500000115.6E742 R743 S747E742-G745 PolarHBondContact O-N 3.26Å; E742-G745 VanDerWaalsContact O-N 3.08Å; R743-G745 VanDerWaalsContact C-N 3.26Å; R743-G745 PolarHBondContact O-N 3.26Å; G745-S747 PolarHBondContact O-N 3.23Å
746A75.7Confident85.2Confident4.33333 Ų4.3333357.7 Ų57.74%0.03630%0.302CS..  trans-74.4118.9165.800000109.2M644 F701 A741 M751M644-A746 HydrophobicContact CB-CB 4.13Å; M644-A746 HydrophobicContact CE-CB 3.7Å; M644-A746 HydrophobicContact CG-CB 4.19Å; F701-A746 HydrophobicContact CE1-CB 4.29Å; F701-A746 HydrophobicContact CZ-CB 4Å; A741-A746 WeakPolarHBondContact O-CB 3.34Å; A741-A746 PolarHBondContact O-N 3.25Å; A746-M751 HydrophobicContact CB-CE 3.48Å; A746-M751 VanDerWaalsContact CB-CE 3.48Å; A746-M751 HydrophobicContact CB-CG 3.96Å; A746-M751 HydrophobicContact CB-SD 3.91Å
747S79.5Confident85.2Confident45 Ų4554.8 Ų54.832%0.31529%0.288SS..  trans-65.6142.8177.868.10000110.7G745 E749 N750 M751G745-S747 PolarHBondContact O-N 3.23Å; S747-E749 PolarHBondContact O-N 3.36Å; S747-E749 VanDerWaalsContact O-N 3.13Å; S747-N750 PolarHBondContact O-N 2.95Å; S747-N750 VanDerWaalsContact OG-CB 3.29Å; S747-N750 WeakPolarHBondContact OG-CB 3.34Å; S747-N750 PolarHBondContact OG-N 3.4Å; S747-N750 PolarHBondContact OG-ND2 3.22Å; S747-N750 VanDerWaalsContact OG-ND2 3.13Å; S747-M751 WeakPolarHBondContact O-CG 3.46Å; S747-M751 PolarHBondContact O-N 3.06Å; S747-M751 VanDerWaalsContact O-N 3.11Å
748A78.4Confident85.3Confident50.3333 Ų50.333354.6 Ų54.642%0.41629%0.286SS..THydrogen-bonded Turntrans-53.6-33177.200000113
749E81.7Confident85.3Confident139.667 Ų139.66755 Ų5565%0.65329%0.288SS*.THydrogen-bonded Turntrans-66.7-43.5175.1-66.4-167143.800112.9S747 M751 K752S747-E749 PolarHBondContact O-N 3.36Å; S747-E749 VanDerWaalsContact O-N 3.13Å; E749-M751 VanDerWaalsContact C-N 3.26Å; E749-M751 PolarHBondContact O-N 3.16Å; E749-K752 WeakPolarHBondContact O-CB 3.42Å; E749-K752 WeakPolarHBondContact O-CG 3.38Å; E749-K752 PolarHBondContact O-N 3.28Å
750N84.6Confident85.4Confident30.3333 Ų30.333355.5 Ų55.516%0.16229%0.289CS..THydrogen-bonded Turntrans-72.7-20-179.4-71.4-8.6000112.5A643 M644 N647 S747 K752 P753A643-N750 HydrophobicContact CB-CB 4.33Å; A643-N750 VanDerWaalsContact CB-O 3.29Å; A643-N750 WeakPolarHBondContact CB-O 3.4Å; A643-N750 VanDerWaalsContact O-CB 3.3Å; A643-N750 WeakPolarHBondContact O-CB 3.38Å; A643-N750 VanDerWaalsContact O-CG 3.25Å; A643-N750 PolarHBondContact O-ND2 3.32Å; A643-N750 VanDerWaalsContact O-ND2 3.13Å; M644-N750 HydrophobicContact CG-CB 4.34Å; M644-N750 WeakPolarHBondContact CG-O 3.32Å; N647-N750 PolarHBondContact ND2-ND2 3.06Å; S747-N750 PolarHBondContact O-N 2.95Å; S747-N750 VanDerWaalsContact OG-CB 3.29Å; S747-N750 WeakPolarHBondContact OG-CB 3.34Å; S747-N750 PolarHBondContact OG-N 3.4Å; S747-N750 PolarHBondContact OG-ND2 3.22Å; S747-N750 VanDerWaalsContact OG-ND2 3.13Å; N750-K752 VanDerWaalsContact C-N 3.35Å; N750-P753 WeakPolarHBondContact O-CD 3.4Å
751M87.1Confident85.5Confident0 Ų054.9 Ų54.90%029%0.286CS..THydrogen-bonded Turntrans-80.7-12.2174.7-67.8-169.4-98.400114.1M644 A741 E742 A746 S747 E749 W754 R755M644-M751 HydrophobicContact CE-CE 4.14Å; M644-M751 HydrophobicContact CE-CG 4.06Å; M644-M751 HydrophobicContact CE-SD 4.44Å; M644-M751 HydrophobicContact CG-CG 4.22Å; M644-M751 HydrophobicContact SD-CG 4.09Å; A741-M751 HydrophobicContact CB-CE 3.47Å; A741-M751 VanDerWaalsContact CB-CE 3.47Å; A741-M751 HydrophobicContact CB-SD 4.19Å; A741-M751 WeakPolarHBondContact O-CE 3.38Å; E742-M751 HydrophobicContact CB-CE 3.65Å; E742-M751 HydrophobicContact CB-SD 4.4Å; E742-M751 HydrophobicContact CG-CE 3.65Å; E742-M751 WeakPolarHBondContact OE2-CE 3.37Å; A746-M751 HydrophobicContact CB-CE 3.48Å; A746-M751 VanDerWaalsContact CB-CE 3.48Å; A746-M751 HydrophobicContact CB-CG 3.96Å; A746-M751 HydrophobicContact CB-SD 3.91Å; S747-M751 WeakPolarHBondContact O-CG 3.46Å; S747-M751 PolarHBondContact O-N 3.06Å; S747-M751 VanDerWaalsContact O-N 3.11Å; E749-M751 VanDerWaalsContact C-N 3.26Å; E749-M751 PolarHBondContact O-N 3.16Å; M751-W754 WeakPolarHBondContact O-CB 3.34Å; M751-W754 PolarHBondContact O-N 3.07Å; M751-W754 VanDerWaalsContact O-N 3.1Å; M751-W754 HydrophobicContact SD-CZ3 4.5Å; M751-R755 PolarHBondContact O-N 3.32Å
752K87Confident85.7Confident100 Ų10054.9 Ų54.944%0.43529%0.286SS..Hα-helixtrans-53.9-48.1-177.4-71174.4-179.5169.40113.1E749 N750 W754 R755 I756 L826E749-K752 WeakPolarHBondContact O-CB 3.42Å; E749-K752 WeakPolarHBondContact O-CG 3.38Å; E749-K752 PolarHBondContact O-N 3.28Å; N750-K752 VanDerWaalsContact C-N 3.35Å; K752-W754 VanDerWaalsContact C-N 3.26Å; K752-W754 PolarHBondContact O-N 2.99Å; K752-R755 PolarHBondContact O-N 2.97Å; K752-I756 WeakPolarHBondContact O-CB 3.48Å; K752-I756 WeakPolarHBondContact O-CD1 3.43Å; K752-I756 VanDerWaalsContact O-CG1 3.23Å; K752-I756 WeakPolarHBondContact O-CG1 3.2Å; K752-I756 PolarHBondContact O-N 3.21Å; K752-L826 HydrophobicContact CG-CD1 4.48Å
753P88.2Confident85.9Confident55.6667 Ų55.666752.3 Ų52.336%0.36128%0.275SS..Hα-helixtrans-61.2-35178.3-22.535.1000113A643 N750 H757A643-P753 HydrophobicContact CB-CG 4.23Å; N750-P753 WeakPolarHBondContact O-CD 3.4Å; P753-H757 WeakPolarHBondContact O-CB 3.3Å; P753-H757 PolarHBondContact O-N 3.16Å; P753-H757 VanDerWaalsContact O-N 3.11Å
754W91Very high86.3Confident0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-72-42.6179.1-173.439.6000112.5L641 M644 H705 I708 I737 F738 A741 M751 K752 H757 W758L641-W754 HydrophobicContact CD2-CB 4.41Å; L641-W754 VanDerWaalsContact CD2-CD1 3.48Å; L641-W754 HydrophobicContact CD2-CD2 3.91Å; L641-W754 HydrophobicContact CD2-CG 3.71Å; M644-W754 HydrophobicContact CE-CE3 3.77Å; M644-W754 HydrophobicContact CE-CZ3 3.92Å; M644-W754 HydrophobicContact SD-CB 4.09Å; M644-W754 HydrophobicContact SD-CD2 3.99Å; M644-W754 HydrophobicContact SD-CE3 3.59Å; M644-W754 VanDerWaalsContact SD-CE3 3.55Å; M644-W754 HydrophobicContact SD-CG 4.23Å; M644-W754 HydrophobicContact SD-CZ3 4.35Å; H705-W754 HydrophobicContact CB-CZ2 4.49Å; H705-W754 AromaticContact ND1-CD1 3.88Å; H705-W754 AromaticContact ND1-NE1 3.36Å; H705-W754 PolarHBondContact ND1-NE1 3.42Å; I708-W754 HydrophobicContact CD1-CH2 3.87Å; I708-W754 HydrophobicContact CD1-CZ2 3.57Å; I737-W754 HydrophobicContact CG2-CH2 4.43Å; F738-W754 HydrophobicContact CD1-CD2 4.24Å; F738-W754 AromaticContact CD1-CE3 3.56Å; F738-W754 HydrophobicContact CD1-CE3 3.56Å; F738-W754 AromaticContact CD1-CH2 3.93Å; F738-W754 HydrophobicContact CD1-CH2 3.97Å; F738-W754 HydrophobicContact CD1-CZ2 4.48Å; F738-W754 AromaticContact CD1-CZ3 3.4Å; F738-W754 HydrophobicContact CD1-CZ3 3.4Å; F738-W754 VanDerWaalsContact CD1-CZ3 3.44Å; F738-W754 AromaticContact CE1-CD2 3.69Å; F738-W754 HydrophobicContact CE1-CD2 3.69Å; F738-W754 AromaticContact CE1-CE2 3.96Å; F738-W754 AromaticContact CE1-CE3 3.5Å; F738-W754 HydrophobicContact CE1-CE3 3.5Å; F738-W754 VanDerWaalsContact CE1-CE3 3.47Å; F738-W754 HydrophobicContact CE1-CG 4.33Å; F738-W754 HydrophobicContact CE1-CH2 4.07Å; F738-W754 HydrophobicContact CE1-CZ2 4.26Å; F738-W754 AromaticContact CE1-CZ3 3.7Å; F738-W754 HydrophobicContact CE1-CZ3 3.7Å; F738-W754 HydrophobicContact CG-CZ3 4.44Å; A741-W754 HydrophobicContact CB-CH2 4.32Å; A741-W754 HydrophobicContact CB-CZ3 3.85Å; M751-W754 WeakPolarHBondContact O-CB 3.34Å; M751-W754 PolarHBondContact O-N 3.07Å; M751-W754 VanDerWaalsContact O-N 3.1Å; M751-W754 HydrophobicContact SD-CZ3 4.5Å; K752-W754 VanDerWaalsContact C-N 3.26Å; K752-W754 PolarHBondContact O-N 2.99Å; W754-H757 WeakPolarHBondContact O-CB 3.42Å; W754-H757 PolarHBondContact O-N 3.21Å; W754-W758 AromaticContact CD1-CD1 3.72Å; W754-W758 AromaticContact CD1-NE1 3.65Å; W754-W758 AromaticContact CE2-CD1 3.99Å; W754-W758 AromaticContact CE2-NE1 3.7Å; W754-W758 AromaticContact NE1-CD1 3.47Å; W754-W758 AromaticContact NE1-NE1 3Å; W754-W758 PolarHBondContact O-N 3.01Å
755R89.9Confident86.8Confident25.3333 Ų25.333345.7 Ų45.710%0.09625%0.248CC..Hα-helixtrans-63.2-42.6173.5-70.3-178.8-176.6-110.67.2111.6F738 D739 E742 M751 K752 H757 W758 D759 F825 L826F738-R755 VanDerWaalsContact CB-CZ 3.5Å; F738-R755 HydrophobicContact CD1-CG 3.78Å; F738-R755 HydrophobicContact CE1-CB 4.45Å; F738-R755 HydrophobicContact CE1-CG 3.59Å; F738-R755 HydrophobicContact CG-CG 4.43Å; F738-R755 HydrophobicContact CZ-CG 4.08Å; D739-R755 IonicContact OD1-NH2 3.32Å; E742-R755 IonicContact OE2-NH2 3.38Å; M751-R755 PolarHBondContact O-N 3.32Å; K752-R755 PolarHBondContact O-N 2.97Å; R755-H757 VanDerWaalsContact C-N 3.34Å; R755-H757 PolarHBondContact O-N 3.05Å; R755-W758 PolarHBondContact O-N 3.03Å; R755-D759 WeakPolarHBondContact O-CB 3.32Å; R755-D759 PolarHBondContact O-N 3.45Å; R755-F825 HydrophobicContact CB-CB 4.41Å; R755-F825 WeakPolarHBondContact CD-O 3.44Å; R755-F825 HydrophobicContact CG-CB 4.39Å; R755-F825 PolarHBondContact NH1-O 3.3Å; R755-F825 VanDerWaalsContact NH1-O 3.08Å; R755-L826 HydrophobicContact CB-CD1 4.27Å
756I88.1Confident87.7Confident78 Ų7843 Ų4340%0.422%0.22SC..Hα-helixtrans-60.5-43.8176-69.4165000111.2K752 W758 D759 M760 L826K752-I756 WeakPolarHBondContact O-CB 3.48Å; K752-I756 WeakPolarHBondContact O-CD1 3.43Å; K752-I756 VanDerWaalsContact O-CG1 3.23Å; K752-I756 WeakPolarHBondContact O-CG1 3.2Å; K752-I756 PolarHBondContact O-N 3.21Å; I756-W758 VanDerWaalsContact C-N 3.34Å; I756-W758 PolarHBondContact O-N 3.12Å; I756-D759 PolarHBondContact O-N 3.24Å; I756-M760 HydrophobicContact CG2-CE 4.47Å; I756-M760 HydrophobicContact CG2-CG 4.45Å; I756-M760 VanDerWaalsContact O-CG 3.28Å; I756-M760 WeakPolarHBondContact O-CG 3.37Å; I756-M760 PolarHBondContact O-N 3.28Å; I756-L826 HydrophobicContact CG1-CD1 4.5Å; I756-L826 HydrophobicContact CG1-CD2 4.27Å
757H91.5Very high88.4Confident58 Ų5845.2 Ų45.227%0.26923%0.23SC..Hα-helixtrans-56.6-48.9177.2171.373.6000111.6C640 H705 P753 W754 R755 M760 E761C640-H757 HydrophobicContact CB-CB 4.06Å; H705-H757 AromaticContact CE1-CD2 3.67Å; H705-H757 AromaticContact CE1-NE2 3.46Å; H705-H757 PolarHBondContact CE1-NE2 3.21Å; P753-H757 WeakPolarHBondContact O-CB 3.3Å; P753-H757 PolarHBondContact O-N 3.16Å; P753-H757 VanDerWaalsContact O-N 3.11Å; W754-H757 WeakPolarHBondContact O-CB 3.42Å; W754-H757 PolarHBondContact O-N 3.21Å; R755-H757 VanDerWaalsContact C-N 3.34Å; R755-H757 PolarHBondContact O-N 3.05Å; H757-M760 WeakPolarHBondContact O-CB 3.45Å; H757-M760 PolarHBondContact O-N 3.06Å; H757-E761 IonicContact CE1-OE1 3.47Å; H757-E761 PolarHBondContact O-N 2.96Å; H757-E761 VanDerWaalsContact O-N 3.1Å
758W92.6Very high88.9Confident14.6667 Ų14.666747.3 Ų47.36%0.05624%0.235CC..Hα-helixtrans-70.9-32.3-179.9-75.1123.7000114H705 I708 G709 I712 F738 W754 R755 I756 M760 E761 L762 F825H705-W758 HydrophobicContact CB-CZ2 4.43Å; H705-W758 AromaticContact CD2-CZ2 3.7Å; H705-W758 AromaticContact CE1-CE2 3.86Å; H705-W758 AromaticContact CE1-CZ2 3.46Å; H705-W758 VanDerWaalsContact CE1-CZ2 3.44Å; H705-W758 WeakPolarHBondContact CE1-CZ2 3.35Å; H705-W758 AromaticContact CG-CZ2 3.69Å; H705-W758 AromaticContact ND1-CE2 3.88Å; H705-W758 AromaticContact ND1-CZ2 3.57Å; H705-W758 AromaticContact ND1-NE1 3.81Å; H705-W758 AromaticContact NE2-CH2 3.86Å; H705-W758 AromaticContact NE2-CZ2 3.57Å; H705-W758 WeakPolarHBondContact NE2-CZ2 3.32Å; H705-W758 WeakPolarHBondContact O-CZ2 3.22Å; I708-W758 HydrophobicContact CB-CD2 4.29Å; I708-W758 HydrophobicContact CB-CH2 4.5Å; I708-W758 HydrophobicContact CB-CZ2 4.04Å; I708-W758 HydrophobicContact CG2-CB 4.46Å; I708-W758 HydrophobicContact CG2-CD2 3.46Å; I708-W758 VanDerWaalsContact CG2-CD2 3.49Å; I708-W758 VanDerWaalsContact CG2-CE2 3.47Å; I708-W758 HydrophobicContact CG2-CE3 3.95Å; I708-W758 HydrophobicContact CG2-CG 3.71Å; I708-W758 HydrophobicContact CG2-CH2 4.38Å; I708-W758 HydrophobicContact CG2-CZ2 4.07Å; I708-W758 HydrophobicContact CG2-CZ3 4.37Å; G709-W758 VanDerWaalsContact N-CH2 3.28Å; I712-W758 HydrophobicContact CD1-CB 4.35Å; I712-W758 HydrophobicContact CD1-CD2 4.05Å; I712-W758 HydrophobicContact CD1-CE3 3.38Å; I712-W758 VanDerWaalsContact CD1-CE3 3.44Å; I712-W758 HydrophobicContact CD1-CG 4.48Å; I712-W758 HydrophobicContact CD1-CZ3 4Å; F738-W758 HydrophobicContact CZ-CB 4.21Å; F738-W758 AromaticContact CZ-CD1 3.67Å; F738-W758 HydrophobicContact CZ-CG 4.25Å; W754-W758 AromaticContact CD1-CD1 3.72Å; W754-W758 AromaticContact CD1-NE1 3.65Å; W754-W758 AromaticContact CE2-CD1 3.99Å; W754-W758 AromaticContact CE2-NE1 3.7Å; W754-W758 AromaticContact NE1-CD1 3.47Å; W754-W758 AromaticContact NE1-NE1 3Å; W754-W758 PolarHBondContact O-N 3.01Å; R755-W758 PolarHBondContact O-N 3.03Å; I756-W758 VanDerWaalsContact C-N 3.34Å; I756-W758 PolarHBondContact O-N 3.12Å; W758-M760 VanDerWaalsContact C-N 3.27Å; W758-M760 PolarHBondContact O-N 3.35Å; W758-E761 HydrophobicContact CE3-CB 3.98Å; W758-E761 HydrophobicContact CE3-CG 4.18Å; W758-E761 HydrophobicContact CZ3-CB 4.28Å; W758-E761 HydrophobicContact CZ3-CG 4.29Å; W758-E761 PolarHBondContact O-N 3.15Å; W758-L762 WeakPolarHBondContact O-CB 3.42Å; W758-L762 PolarHBondContact O-N 3.28Å; W758-F825 HydrophobicContact CB-CD2 3.85Å; W758-F825 HydrophobicContact CB-CE2 3.94Å
759D90.1Very high89.6Confident9.33333 Ų9.3333345.7 Ų45.75%0.0522%0.218CC..Hα-helixtrans-62.3-36.2171-81.7-14000111.8R755 I756 L763 G824 F825 L826 I835 F836R755-D759 WeakPolarHBondContact O-CB 3.32Å; R755-D759 PolarHBondContact O-N 3.45Å; I756-D759 PolarHBondContact O-N 3.24Å; D759-L763 WeakPolarHBondContact O-CB 3.44Å; D759-L763 PolarHBondContact O-N 2.92Å; D759-G824 VanDerWaalsContact OD1-CA 3.25Å; D759-G824 WeakPolarHBondContact OD1-CA 3.44Å; D759-F825 VanDerWaalsContact OD1-CD2 3.24Å; D759-F825 WeakPolarHBondContact OD1-CD2 3.38Å; D759-F825 PolarHBondContact OD1-N 3.35Å; D759-F825 PolarHBondContact OD2-N 3.21Å; D759-L826 VanDerWaalsContact OD2-CB 3.25Å; D759-L826 WeakPolarHBondContact OD2-CB 3.2Å; D759-L826 PolarHBondContact OD2-N 2.93Å; D759-L826 VanDerWaalsContact OD2-N 3.12Å; D759-I835 HydrophobicContact CB-CD1 4.05Å; D759-F836 HydrophobicContact CB-CZ 4.18Å
760M89.3Confident90Very high83.6667 Ų83.666739.1 Ų39.141%0.41219%0.187SC..Hα-helixtrans-72.1-37.2175.6-67.1-66.2-157.500112.9I756 H757 W758 L763 K764 I835I756-M760 HydrophobicContact CG2-CE 4.47Å; I756-M760 HydrophobicContact CG2-CG 4.45Å; I756-M760 VanDerWaalsContact O-CG 3.28Å; I756-M760 WeakPolarHBondContact O-CG 3.37Å; I756-M760 PolarHBondContact O-N 3.28Å; H757-M760 WeakPolarHBondContact O-CB 3.45Å; H757-M760 PolarHBondContact O-N 3.06Å; W758-M760 VanDerWaalsContact C-N 3.27Å; W758-M760 PolarHBondContact O-N 3.35Å; M760-L763 HydrophobicContact CE-CD2 4.45Å; M760-L763 WeakPolarHBondContact O-CB 3.33Å; M760-L763 HydrophobicContact SD-CD2 4.47Å; M760-K764 WeakPolarHBondContact O-CG 3.37Å; M760-K764 PolarHBondContact O-N 3.23Å; M760-I835 HydrophobicContact CE-CD1 4.08Å; M760-I835 HydrophobicContact SD-CD1 4.14Å
761E91.1Very high90.3Very high57.3333 Ų57.333339.8 Ų39.827%0.26819%0.19SC..Hα-helixtrans-69.6-40.5173.2-66-51.1132.500111.4H757 W758 L763 K764 V765H757-E761 IonicContact CE1-OE1 3.47Å; H757-E761 PolarHBondContact O-N 2.96Å; H757-E761 VanDerWaalsContact O-N 3.1Å; W758-E761 HydrophobicContact CE3-CB 3.98Å; W758-E761 HydrophobicContact CE3-CG 4.18Å; W758-E761 HydrophobicContact CZ3-CB 4.28Å; W758-E761 HydrophobicContact CZ3-CG 4.29Å; W758-E761 PolarHBondContact O-N 3.15Å; E761-L763 VanDerWaalsContact C-N 3.3Å; E761-L763 PolarHBondContact O-N 3.34Å; E761-K764 WeakPolarHBondContact O-CB 3.35Å; E761-K764 PolarHBondContact O-N 3.17Å; E761-K764 VanDerWaalsContact O-N 3.16Å; E761-K764 IonicContact OE1-NZ 3.11Å; E761-K764 PolarHBondContact OE1-NZ 2.93Å; E761-K764 IonicContact OE2-NZ 3.4Å; E761-K764 PolarHBondContact OE2-NZ 3.2Å; E761-V765 PolarHBondContact O-N 3.08Å
762L90.9Very high90.3Very high0 Ų042.8 Ų42.80%020%0.204CC..Hα-helixtrans-63.2-36.3175.5-176.857.1000111.9I712 L715 W727 L731 W758 K764 V765 L766 F822 F825 F836I712-L762 HydrophobicContact CD1-CB 4.44Å; L715-L762 HydrophobicContact CD1-CD1 4.33Å; W727-L762 HydrophobicContact CZ3-CD1 4.14Å; L731-L762 HydrophobicContact CD2-CD1 3.89Å; L731-L762 HydrophobicContact CD2-CD2 3.53Å; L731-L762 HydrophobicContact CD2-CG 4.38Å; W758-L762 WeakPolarHBondContact O-CB 3.42Å; W758-L762 PolarHBondContact O-N 3.28Å; L762-K764 VanDerWaalsContact C-N 3.3Å; L762-K764 PolarHBondContact O-N 3.09Å; L762-V765 PolarHBondContact O-N 3.27Å; L762-L766 VanDerWaalsContact O-CB 3.24Å; L762-L766 WeakPolarHBondContact O-CB 3.38Å; L762-L766 PolarHBondContact O-N 3.28Å; L762-F822 HydrophobicContact CD1-CE1 4.5Å; L762-F822 HydrophobicContact CD1-CZ 4.17Å; L762-F822 HydrophobicContact CD2-CE1 3.55Å; L762-F822 VanDerWaalsContact CD2-CE1 3.48Å; L762-F822 HydrophobicContact CD2-CZ 3.87Å; L762-F822 HydrophobicContact CG-CE1 3.88Å; L762-F822 HydrophobicContact CG-CZ 4.04Å; L762-F825 HydrophobicContact CD2-CD2 4.46Å; L762-F825 HydrophobicContact CD2-CE2 3.81Å; L762-F825 HydrophobicContact CD2-CZ 4.06Å; L762-F836 HydrophobicContact CB-CE1 4.44Å; L762-F836 HydrophobicContact CD2-CZ 4.42Å; L762-F836 HydrophobicContact CG-CE1 4.28Å
763L89.9Confident90.3Very high31.3333 Ų31.333338.3 Ų38.316%0.16419%0.187CC..Hα-helixtrans-56.8-43.7174.1-179.269.9000111.5D759 M760 E761 L766 E767 I835 F836 V839D759-L763 WeakPolarHBondContact O-CB 3.44Å; D759-L763 PolarHBondContact O-N 2.92Å; M760-L763 HydrophobicContact CE-CD2 4.45Å; M760-L763 WeakPolarHBondContact O-CB 3.33Å; M760-L763 HydrophobicContact SD-CD2 4.47Å; E761-L763 VanDerWaalsContact C-N 3.3Å; E761-L763 PolarHBondContact O-N 3.34Å; L763-L766 PolarHBondContact O-N 3.14Å; L763-E767 VanDerWaalsContact O-CB 3.29Å; L763-E767 WeakPolarHBondContact O-CB 3.31Å; L763-E767 PolarHBondContact O-N 3.34Å; L763-I835 HydrophobicContact CD2-CD1 4.46Å; L763-F836 HydrophobicContact CB-CD1 4.24Å; L763-F836 HydrophobicContact CB-CE1 4Å; L763-F836 HydrophobicContact CD1-CB 4.47Å; L763-F836 HydrophobicContact CD1-CD1 3.62Å; L763-F836 HydrophobicContact CD1-CE1 4.23Å; L763-F836 HydrophobicContact CD1-CG 4.34Å; L763-V839 HydrophobicContact CD1-CG2 3.43Å; L763-V839 VanDerWaalsContact CD1-CG2 3.45Å; L763-V839 HydrophobicContact CG-CG2 4.44Å
764K91.4Very high90.2Very high114.667 Ų114.66735.9 Ų35.950%0.49917%0.171SC..Hα-helixtrans-65-43.3178.7-61.7170.7-167.8166.20111.8M760 E761 L762 E767 H768M760-K764 WeakPolarHBondContact O-CG 3.37Å; M760-K764 PolarHBondContact O-N 3.23Å; E761-K764 WeakPolarHBondContact O-CB 3.35Å; E761-K764 PolarHBondContact O-N 3.17Å; E761-K764 VanDerWaalsContact O-N 3.16Å; E761-K764 IonicContact OE1-NZ 3.11Å; E761-K764 PolarHBondContact OE1-NZ 2.93Å; E761-K764 IonicContact OE2-NZ 3.4Å; E761-K764 PolarHBondContact OE2-NZ 3.2Å; L762-K764 VanDerWaalsContact C-N 3.3Å; L762-K764 PolarHBondContact O-N 3.09Å; K764-E767 PolarHBondContact O-N 3.16Å; K764-H768 WeakPolarHBondContact O-CB 3.3Å; K764-H768 PolarHBondContact O-N 3.12Å; K764-H768 VanDerWaalsContact O-N 3.08Å
765V92.2Very high89.9Confident6.33333 Ų6.3333340 Ų404%0.03819%0.19CC..Hα-helixtrans-67.3-43.5179.2-178.50000110.8I712 L715 K716 W727 E761 L762 H768 Q769I712-V765 HydrophobicContact CG2-CB 4.41Å; I712-V765 HydrophobicContact CG2-CG2 3.75Å; L715-V765 HydrophobicContact CB-CG1 3.9Å; K716-V765 HydrophobicContact CB-CG1 4.44Å; K716-V765 HydrophobicContact CD-CG2 4.47Å; K716-V765 HydrophobicContact CG-CB 4.39Å; K716-V765 HydrophobicContact CG-CG1 3.81Å; K716-V765 HydrophobicContact CG-CG2 3.76Å; W727-V765 HydrophobicContact CH2-CG1 3.92Å; W727-V765 HydrophobicContact CZ2-CG1 4.4Å; E761-V765 PolarHBondContact O-N 3.08Å; L762-V765 PolarHBondContact O-N 3.27Å; V765-H768 PolarHBondContact O-N 3.17Å; V765-Q769 WeakPolarHBondContact O-CB 3.43Å; V765-Q769 PolarHBondContact O-N 3.18Å; V765-Q769 VanDerWaalsContact O-N 3.1Å
766L91.1Very high89.5Confident0 Ų043.7 Ų43.70%021%0.207CC..Hα-helixtrans-60.8-47.2175.3-178.468.4000111.2L720 W727 L762 L763 H768 Q769 Y770 P819 F822 F836L720-L766 HydrophobicContact CD1-CD1 4.1Å; L720-L766 HydrophobicContact CD2-CD1 3.92Å; W727-L766 HydrophobicContact CH2-CB 4.48Å; W727-L766 HydrophobicContact CH2-CD1 4.31Å; W727-L766 HydrophobicContact CZ3-CB 4.47Å; W727-L766 HydrophobicContact CZ3-CD1 4.09Å; L762-L766 VanDerWaalsContact O-CB 3.24Å; L762-L766 WeakPolarHBondContact O-CB 3.38Å; L762-L766 PolarHBondContact O-N 3.28Å; L763-L766 PolarHBondContact O-N 3.14Å; L766-H768 PolarHBondContact O-N 2.97Å; L766-Q769 PolarHBondContact O-N 3.28Å; L766-Y770 WeakPolarHBondContact O-CB 3.28Å; L766-Y770 PolarHBondContact O-N 3.4Å; L766-P819 HydrophobicContact CD2-CB 4.21Å; L766-F822 HydrophobicContact CD1-CD2 3.89Å; L766-F822 HydrophobicContact CD1-CE2 3.8Å; L766-F822 HydrophobicContact CD1-CG 4.48Å; L766-F822 HydrophobicContact CD1-CZ 4.28Å; L766-F822 HydrophobicContact CD2-CB 4.19Å; L766-F822 HydrophobicContact CD2-CD1 3.96Å; L766-F822 HydrophobicContact CD2-CD2 3.96Å; L766-F822 HydrophobicContact CD2-CE1 4.29Å; L766-F822 HydrophobicContact CD2-CE2 4.29Å; L766-F822 HydrophobicContact CD2-CG 3.77Å; L766-F822 HydrophobicContact CD2-CZ 4.44Å; L766-F836 HydrophobicContact CD2-CB 4.11Å; L766-F836 HydrophobicContact CD2-CD1 3.69Å; L766-F836 HydrophobicContact CD2-CG 4.24Å
767E90.6Very high89.1Confident49.6667 Ų49.666740 Ų4023%0.23219%0.188CC..Hα-helixtrans-61-45.5178.6178.6170.1-155.600111.7L763 K764 Q769 Y770 Q771 V839 N843L763-E767 VanDerWaalsContact O-CB 3.29Å; L763-E767 WeakPolarHBondContact O-CB 3.31Å; L763-E767 PolarHBondContact O-N 3.34Å; K764-E767 PolarHBondContact O-N 3.16Å; E767-Q769 PolarHBondContact O-N 3.26Å; E767-Y770 PolarHBondContact O-N 3.24Å; E767-Q771 HydrophobicContact CG-CG 4.43Å; E767-Q771 VanDerWaalsContact O-CB 3.29Å; E767-Q771 WeakPolarHBondContact O-CB 3.36Å; E767-Q771 VanDerWaalsContact O-CG 3.25Å; E767-Q771 WeakPolarHBondContact O-CG 3.48Å; E767-Q771 PolarHBondContact O-N 3.15Å; E767-Q771 PolarHBondContact OE1-NE2 2.97Å; E767-V839 HydrophobicContact CB-CG1 4.09Å; E767-V839 HydrophobicContact CB-CG2 4.38Å; E767-V839 HydrophobicContact CG-CG1 4.13Å; E767-N843 PolarHBondContact OE1-ND2 2.99Å; E767-N843 VanDerWaalsContact OE1-ND2 3.13Å
768H91.2Very high88.3Confident89.6667 Ų89.666738.4 Ų38.442%0.41518%0.181SC..Hα-helixtrans-59.1-48.6177178.262.4000112.1K764 V765 L766 Q771 M772K764-H768 WeakPolarHBondContact O-CB 3.3Å; K764-H768 PolarHBondContact O-N 3.12Å; K764-H768 VanDerWaalsContact O-N 3.08Å; V765-H768 PolarHBondContact O-N 3.17Å; L766-H768 PolarHBondContact O-N 2.97Å; H768-Q771 WeakPolarHBondContact O-CB 3.34Å; H768-Q771 PolarHBondContact O-N 3.27Å; H768-M772 WeakPolarHBondContact O-CG 3.33Å; H768-M772 PolarHBondContact O-N 3.07Å; H768-M772 VanDerWaalsContact O-N 3.08Å
769Q91.5Very high87.5Confident16.3333 Ų16.333344.9 Ų44.98%0.07621%0.212CC..Hα-helixtrans-72.2-30.7-179.8-77.3-66.7-31.100112.9K716 T718 L720 W727 V765 L766 E767 G773K716-Q769 PolarHBondContact O-NE2 2.95Å; T718-Q769 PolarHBondContact O-OE1 3.16Å; L720-Q769 HydrophobicContact CB-CB 4.1Å; W727-Q769 HydrophobicContact CH2-CB 4.41Å; W727-Q769 HydrophobicContact CZ2-CB 3.93Å; W727-Q769 HydrophobicContact CZ2-CG 3.94Å; V765-Q769 WeakPolarHBondContact O-CB 3.43Å; V765-Q769 PolarHBondContact O-N 3.18Å; V765-Q769 VanDerWaalsContact O-N 3.1Å; L766-Q769 PolarHBondContact O-N 3.28Å; E767-Q769 PolarHBondContact O-N 3.26Å; Q769-G773 PolarHBondContact O-N 3.23Å
770Y91Very high86.6Confident0 Ų048.4 Ų48.40%023%0.234CC..Hα-helixtrans-65.3-44.5171.6-176-109.1000111.3L720 L766 E767 G773 L774 F815 I816 P819 V839 N843 I847L720-Y770 HydrophobicContact CD2-CD2 4.32Å; L766-Y770 WeakPolarHBondContact O-CB 3.28Å; L766-Y770 PolarHBondContact O-N 3.4Å; E767-Y770 PolarHBondContact O-N 3.24Å; Y770-G773 CarbonylContact O-C 3.58Å; Y770-G773 PolarHBondContact O-N 3.11Å; Y770-L774 HydrophobicContact CD1-CD1 3.92Å; Y770-L774 HydrophobicContact CD1-CG 4.43Å; Y770-L774 HydrophobicContact CE1-CD1 3.49Å; Y770-L774 VanDerWaalsContact CE1-CD1 3.48Å; Y770-L774 HydrophobicContact CE1-CG 4.16Å; Y770-L774 HydrophobicContact CE2-CD2 4.49Å; Y770-L774 HydrophobicContact CE2-CG 4.43Å; Y770-L774 WeakPolarHBondContact O-CG 3.3Å; Y770-L774 PolarHBondContact O-N 3.04Å; Y770-F815 AromaticContact CD2-CE1 3.9Å; Y770-F815 HydrophobicContact CD2-CE1 3.9Å; Y770-F815 HydrophobicContact CD2-CZ 4.05Å; Y770-F815 HydrophobicContact CE2-CD1 4.32Å; Y770-F815 AromaticContact CE2-CE1 3.95Å; Y770-F815 HydrophobicContact CE2-CE1 4Å; Y770-I816 PolarHBondContact OH-O 3.33Å; Y770-P819 HydrophobicContact CD1-CG 4.43Å; Y770-P819 HydrophobicContact CD2-CG 3.57Å; Y770-P819 VanDerWaalsContact CD2-CG 3.45Å; Y770-P819 HydrophobicContact CE1-CG 4.43Å; Y770-P819 HydrophobicContact CE2-CG 3.6Å; Y770-P819 VanDerWaalsContact CE2-CG 3.45Å; Y770-P819 HydrophobicContact CG-CG 4.01Å; Y770-V839 HydrophobicContact CD1-CG1 3.68Å; Y770-V839 HydrophobicContact CE1-CG1 4.25Å; Y770-V839 HydrophobicContact CG-CG1 4.25Å; Y770-N843 HydrophobicContact CD1-CB 4.37Å; Y770-N843 HydrophobicContact CE1-CB 4.08Å; Y770-I847 WeakPolarHBondContact OH-CD1 3.05Å
771Q90.3Very high85.8Confident45.6667 Ų45.666745.3 Ų45.321%0.21322%0.219CC..Hα-helixtrans-60.2-49.7174.9-80.6177.44.600112.4E767 H768 G773 L774 E775 N843E767-Q771 HydrophobicContact CG-CG 4.43Å; E767-Q771 VanDerWaalsContact O-CB 3.29Å; E767-Q771 WeakPolarHBondContact O-CB 3.36Å; E767-Q771 VanDerWaalsContact O-CG 3.25Å; E767-Q771 WeakPolarHBondContact O-CG 3.48Å; E767-Q771 PolarHBondContact O-N 3.15Å; E767-Q771 PolarHBondContact OE1-NE2 2.97Å; H768-Q771 WeakPolarHBondContact O-CB 3.34Å; H768-Q771 PolarHBondContact O-N 3.27Å; Q771-G773 VanDerWaalsContact C-N 3.3Å; Q771-G773 PolarHBondContact O-N 3.06Å; Q771-L774 PolarHBondContact O-N 3.13Å; Q771-E775 WeakPolarHBondContact O-CG 3.35Å; Q771-E775 PolarHBondContact O-N 3.29Å; Q771-E775 VanDerWaalsContact O-N 3.09Å; Q771-N843 WeakPolarHBondContact CG-OD1 3.38Å; Q771-N843 PolarHBondContact NE2-OD1 3.11Å
772M86.9Confident84.9Confident63 Ų6346.8 Ų46.831%0.3123%0.233SC..Hα-helixtrans-61.6-39.8175.8-70.1-119.348.700112H768 E775 K776H768-M772 WeakPolarHBondContact O-CG 3.33Å; H768-M772 PolarHBondContact O-N 3.07Å; H768-M772 VanDerWaalsContact O-N 3.08Å; M772-E775 PolarHBondContact O-N 3.04Å; M772-K776 HydrophobicContact CE-CD 4.39Å; M772-K776 WeakPolarHBondContact O-CB 3.29Å; M772-K776 PolarHBondContact O-N 3.17Å; M772-K776 VanDerWaalsContact O-N 3.14Å
773G87.7Confident84Confident6.33333 Ų6.3333350.4 Ų50.47%0.06526%0.259CS..Hα-helixtrans-67.1-36.7177.300000113Q769 Y770 Q771 K776 L777Q769-G773 PolarHBondContact O-N 3.23Å; Y770-G773 CarbonylContact O-C 3.58Å; Y770-G773 PolarHBondContact O-N 3.11Å; Q771-G773 VanDerWaalsContact C-N 3.3Å; Q771-G773 PolarHBondContact O-N 3.06Å; G773-K776 CarbonylContact O-C 3.54Å; G773-K776 PolarHBondContact O-N 3.32Å; G773-L777 VanDerWaalsContact O-CA 3.25Å; G773-L777 WeakPolarHBondContact O-CA 3.28Å; G773-L777 VanDerWaalsContact O-CB 3.24Å; G773-L777 WeakPolarHBondContact O-CB 3.25Å; G773-L777 PolarHBondContact O-N 3.07Å
774L86.1Confident83.6Confident4.66667 Ų4.6666750 Ų502%0.02426%0.257CS..Hα-helixtrans-65.8-41.6173.8-75.9177.3000112Y770 Q771 K776 L777 F815 I816 N843 R846 I847Y770-L774 HydrophobicContact CD1-CD1 3.92Å; Y770-L774 HydrophobicContact CD1-CG 4.43Å; Y770-L774 HydrophobicContact CE1-CD1 3.49Å; Y770-L774 VanDerWaalsContact CE1-CD1 3.48Å; Y770-L774 HydrophobicContact CE1-CG 4.16Å; Y770-L774 HydrophobicContact CE2-CD2 4.49Å; Y770-L774 HydrophobicContact CE2-CG 4.43Å; Y770-L774 WeakPolarHBondContact O-CG 3.3Å; Y770-L774 PolarHBondContact O-N 3.04Å; Q771-L774 PolarHBondContact O-N 3.13Å; L774-K776 VanDerWaalsContact C-N 3.35Å; L774-K776 PolarHBondContact O-N 3.4Å; L774-L777 HydrophobicContact CD2-CD2 4.42Å; L774-L777 WeakPolarHBondContact O-CB 3.32Å; L774-L777 PolarHBondContact O-N 3.17Å; L774-F815 HydrophobicContact CD2-CD1 4.11Å; L774-F815 HydrophobicContact CD2-CE1 4.02Å; L774-F815 HydrophobicContact CG-CE1 4.08Å; L774-I816 HydrophobicContact CD2-CG1 4.32Å; L774-N843 HydrophobicContact CD1-CB 4.27Å; L774-R846 HydrophobicContact CB-CB 4.29Å; L774-R846 HydrophobicContact CD1-CB 3.97Å; L774-I847 HydrophobicContact CD1-CG1 3.83Å; L774-I847 HydrophobicContact CD2-CG1 4.09Å
775E83.7Confident83.2Confident86.6667 Ų86.666751.4 Ų51.441%0.40527%0.265SS..Hα-helixtrans-65.3-40.7179.7-74.1175.2-173.100112.4Q771 M772 R846 K853Q771-E775 WeakPolarHBondContact O-CG 3.35Å; Q771-E775 PolarHBondContact O-N 3.29Å; Q771-E775 VanDerWaalsContact O-N 3.09Å; M772-E775 PolarHBondContact O-N 3.04Å; E775-R846 IonicContact OE1-CZ 3.09Å; E775-R846 IonicContact OE1-NE 3.87Å; E775-R846 IonicContact OE1-NH1 3.19Å; E775-R846 PolarHBondContact OE1-NH1 3.4Å; E775-R846 IonicContact OE1-NH2 3.66Å; E775-R846 PolarHBondContact OE1-NH2 2.83Å; E775-K853 PolarHBondContact O-NZ 2.93Å; E775-K853 VanDerWaalsContact O-NZ 3.11Å
776K81.8Confident82.8Confident102.667 Ų102.66751.4 Ų51.445%0.44627%0.266SS..Hα-helixtrans-93.30.8-179.3-65.4-176.2178-178.50114.1M772 G773 L774 N778 E779 T780M772-K776 HydrophobicContact CE-CD 4.39Å; M772-K776 WeakPolarHBondContact O-CB 3.29Å; M772-K776 PolarHBondContact O-N 3.17Å; M772-K776 VanDerWaalsContact O-N 3.14Å; G773-K776 CarbonylContact O-C 3.54Å; G773-K776 PolarHBondContact O-N 3.32Å; L774-K776 VanDerWaalsContact C-N 3.35Å; L774-K776 PolarHBondContact O-N 3.4Å; K776-N778 VanDerWaalsContact C-N 3.34Å; K776-N778 PolarHBondContact O-N 3.08Å; K776-N778 VanDerWaalsContact O-N 3.1Å; K776-E779 WeakPolarHBondContact O-CB 3.27Å; K776-E779 PolarHBondContact O-N 3.05Å; K776-E779 VanDerWaalsContact O-N 3.08Å; K776-T780 HydrophobicContact CB-CG2 4.44Å; K776-T780 PolarHBondContact O-N 3.14Å; K776-T780 PolarHBondContact O-OG1 3.16Å
777L81Confident82.7Confident0.666667 Ų0.66666753.7 Ų53.70%0.00328%0.277CS..Hα-helixtrans-52.2-49.6-171.2-17061.2000110.9L721 G773 L774 E779 T780 M781 M812 F815 A850L721-L777 HydrophobicContact CD1-CD1 3.47Å; L721-L777 VanDerWaalsContact CD1-CD1 3.44Å; L721-L777 HydrophobicContact CD2-CD1 4.04Å; L721-L777 HydrophobicContact CG-CD1 4.35Å; G773-L777 VanDerWaalsContact O-CA 3.25Å; G773-L777 WeakPolarHBondContact O-CA 3.28Å; G773-L777 VanDerWaalsContact O-CB 3.24Å; G773-L777 WeakPolarHBondContact O-CB 3.25Å; G773-L777 PolarHBondContact O-N 3.07Å; L774-L777 HydrophobicContact CD2-CD2 4.42Å; L774-L777 WeakPolarHBondContact O-CB 3.32Å; L774-L777 PolarHBondContact O-N 3.17Å; L777-E779 VanDerWaalsContact C-N 3.31Å; L777-E779 PolarHBondContact O-N 3.41Å; L777-T780 PolarHBondContact O-N 3.01Å; L777-T780 PolarHBondContact O-OG1 3.27Å; L777-M781 HydrophobicContact CD1-CE 3.83Å; L777-M781 HydrophobicContact CD1-CG 4.07Å; L777-M781 HydrophobicContact CD1-SD 3.96Å; L777-M781 HydrophobicContact CD2-CE 4.33Å; L777-M781 HydrophobicContact CG-CE 4.08Å; L777-M781 HydrophobicContact CG-CG 4.14Å; L777-M781 HydrophobicContact CG-SD 4.4Å; L777-M781 WeakPolarHBondContact O-CB 3.44Å; L777-M781 WeakPolarHBondContact O-CG 3.4Å; L777-M781 PolarHBondContact O-N 3.19Å; L777-M781 VanDerWaalsContact O-N 3.12Å; L777-M812 HydrophobicContact CD2-CB 4.27Å; L777-M812 HydrophobicContact CD2-CE 3.97Å; L777-M812 HydrophobicContact CD2-CG 3.92Å; L777-F815 HydrophobicContact CD1-CB 3.98Å; L777-F815 HydrophobicContact CD1-CD1 3.77Å; L777-F815 HydrophobicContact CD1-CE1 4.46Å; L777-F815 HydrophobicContact CD1-CG 3.84Å; L777-F815 HydrophobicContact CD2-CD1 4.37Å; L777-A850 HydrophobicContact CD2-CB 4.34Å
778N74.5Confident82.4Confident24 Ų2451.5 Ų51.513%0.12827%0.266CS..Hα-helixtrans-70.6-21.4-175.8-64.8-13.2000114.1K776 Y808 A850 K853 M854 S927K776-N778 VanDerWaalsContact C-N 3.34Å; K776-N778 PolarHBondContact O-N 3.08Å; K776-N778 VanDerWaalsContact O-N 3.1Å; N778-Y808 VanDerWaalsContact CA-OH 3.31Å; N778-Y808 WeakPolarHBondContact CA-OH 3.32Å; N778-Y808 WeakPolarHBondContact CB-OH 3.23Å; N778-Y808 VanDerWaalsContact CG-OH 3.25Å; N778-Y808 PolarHBondContact OD1-OH 3.23Å; N778-A850 PolarHBondContact ND2-O 3.35Å; N778-A850 VanDerWaalsContact ND2-O 3.09Å; N778-K853 VanDerWaalsContact ND2-C 3.27Å; N778-K853 WeakPolarHBondContact ND2-CB 3.42Å; N778-K853 PolarHBondContact ND2-O 3.22Å; N778-M854 PolarHBondContact ND2-N 2.9Å; N778-S927 PolarHBondContact O-OG 3.29Å; N778-S927 VanDerWaalsContact O-OG 3.06Å
779E74.5Confident82Confident150.667 Ų150.66752.5 Ų52.570%0.70427%0.266SS*.Hα-helixtrans-83.2-32.5178.4-62.8176.4-178.100112.1K776 L777K776-E779 WeakPolarHBondContact O-CB 3.27Å; K776-E779 PolarHBondContact O-N 3.05Å; K776-E779 VanDerWaalsContact O-N 3.08Å; L777-E779 VanDerWaalsContact C-N 3.31Å; L777-E779 PolarHBondContact O-N 3.41Å
780T71.2Confident81.2Confident83 Ų8353.6 Ų53.651%0.50927%0.273SS..Hα-helixtrans-100.11.5-173.938.70000113.8L721 K776 L777L721-T780 WeakPolarHBondContact CD2-OG1 3.47Å; K776-T780 HydrophobicContact CB-CG2 4.44Å; K776-T780 PolarHBondContact O-N 3.14Å; K776-T780 PolarHBondContact O-OG1 3.16Å; L777-T780 PolarHBondContact O-N 3.01Å; L777-T780 PolarHBondContact O-OG1 3.27Å
781M74.1Confident80.4Confident19.3333 Ų19.333355.9 Ų55.910%0.09529%0.286CS..SBendtrans-63139.8176.6-79-71.1-136.600111.5L721 L777 S783 Y808 E811 M812L721-M781 HydrophobicContact CD2-CG 4.34Å; L721-M781 HydrophobicContact CD2-SD 3.94Å; L777-M781 HydrophobicContact CD1-CE 3.83Å; L777-M781 HydrophobicContact CD1-CG 4.07Å; L777-M781 HydrophobicContact CD1-SD 3.96Å; L777-M781 HydrophobicContact CD2-CE 4.33Å; L777-M781 HydrophobicContact CG-CE 4.08Å; L777-M781 HydrophobicContact CG-CG 4.14Å; L777-M781 HydrophobicContact CG-SD 4.4Å; L777-M781 WeakPolarHBondContact O-CB 3.44Å; L777-M781 WeakPolarHBondContact O-CG 3.4Å; L777-M781 PolarHBondContact O-N 3.19Å; L777-M781 VanDerWaalsContact O-N 3.12Å; M781-S783 PolarHBondContact O-N 2.85Å; M781-Y808 HydrophobicContact CB-CE2 4.09Å; M781-Y808 HydrophobicContact CE-CD1 4.27Å; M781-Y808 HydrophobicContact CE-CD2 4.14Å; M781-Y808 HydrophobicContact CE-CE1 4.09Å; M781-Y808 HydrophobicContact CE-CE2 4.22Å; M781-Y808 HydrophobicContact CE-CG 4.33Å; M781-Y808 HydrophobicContact CG-CE1 4.36Å; M781-Y808 HydrophobicContact CG-CE2 3.76Å; M781-Y808 WeakPolarHBondContact CG-OH 3.5Å; M781-E811 HydrophobicContact CE-CB 3.77Å; M781-E811 HydrophobicContact CE-CG 4.49Å; M781-E811 HydrophobicContact SD-CB 4.02Å; M781-M812 HydrophobicContact CE-CB 4.27Å; M781-M812 HydrophobicContact CE-CG 3.63Å
782P70.5Confident79.4Confident87.6667 Ų87.666761.5 Ų61.557%0.56931%0.313SS*.PPolyproline II helixtrans-57.6139.8176.9-4.27.9000111L784P782-L784 PolarHBondContact O-N 2.98Å; P782-L784 VanDerWaalsContact O-N 3.14Å
783S72.5Confident78.4Confident76.6667 Ų76.666762.7 Ų62.754%0.53632%0.324SS..PPolyproline II helixtrans-63.2121.8-177.158.10000111.3M781 S927M781-S783 PolarHBondContact O-N 2.85Å; S783-S927 CarbonylContact C-O 3.53Å; S783-S927 WeakPolarHBondContact CA-O 3.43Å; S783-S927 VanDerWaalsContact CB-O 3.32Å; S783-S927 WeakPolarHBondContact CB-O 3.3Å
784L80.9Confident77.4Confident22.6667 Ų22.666764.5 Ų64.512%0.11934%0.335CS..EExtended strand (participates in β ladder)trans-82.7131176.7-70.6176000109.3P782 L804 K807 Y808 S927 M928 V929P782-L784 PolarHBondContact O-N 2.98Å; P782-L784 VanDerWaalsContact O-N 3.14Å; L784-L804 HydrophobicContact CD1-CD2 4.48Å; L784-K807 HydrophobicContact CD2-CD 3.98Å; L784-K807 HydrophobicContact CD2-CG 4.35Å; L784-Y808 HydrophobicContact CD1-CD2 3.8Å; L784-Y808 HydrophobicContact CD1-CG 4.48Å; L784-S927 PolarHBondContact N-O 3.28Å; L784-S927 VanDerWaalsContact N-O 3.08Å; L784-M928 HydrophobicContact CB-CG 4.12Å; L784-M928 HydrophobicContact CB-SD 3.62Å; L784-M928 VanDerWaalsContact CB-SD 3.58Å; L784-M928 HydrophobicContact CD1-CE 3.92Å; L784-M928 HydrophobicContact CD1-CG 4.44Å; L784-M928 HydrophobicContact CD1-SD 4.28Å; L784-M928 CarbonylContact O-C 3.57Å; L784-M928 VanDerWaalsContact O-CA 3.28Å; L784-M928 WeakPolarHBondContact O-CA 3.4Å; L784-M928 WeakPolarHBondContact O-CG 3.25Å; L784-V929 PolarHBondContact O-N 3.22Å
785Q83.1Confident77Confident143 Ų14365.1 Ų65.167%0.66834%0.339SS*.EExtended strand (participates in β ladder)trans-98.7129.3176-64-140.3-15.300109.6
786A85.6Confident76.9Confident7 Ų765.9 Ų65.96%0.05834%0.341CS..EExtended strand (participates in β ladder)trans-136.3164.5173.300000109.5L797 Y798 L804 M928 V929 I930 N931A786-L797 HydrophobicContact CB-CD1 3.74Å; A786-L797 HydrophobicContact CB-CD2 4.44Å; A786-L797 HydrophobicContact CB-CG 4.1Å; A786-Y798 CarbonylContact C-O 3.47Å; A786-Y798 WeakPolarHBondContact CA-O 3.46Å; A786-L804 HydrophobicContact CB-CD1 3.91Å; A786-L804 HydrophobicContact CB-CD2 4.39Å; A786-M928 HydrophobicContact CB-CG 4.47Å; A786-M928 HydrophobicContact CB-SD 4.29Å; A786-V929 PolarHBondContact N-O 3Å; A786-I930 CarbonylContact O-C 3.58Å; A786-I930 VanDerWaalsContact O-CA 3.28Å; A786-I930 WeakPolarHBondContact O-CA 3.41Å; A786-N931 PolarHBondContact O-N 3.15Å
787E87.1Confident76.9Confident49 Ų4961.9 Ų61.923%0.22933%0.325CS..EExtended strand (participates in β ladder)trans-137.1145.2177.262.2-174.9162.500111R789 Y798 N931 P934E787-R789 VanDerWaalsContact CD-NH2 3.27Å; E787-R789 HydrophobicContact CG-CG 4.3Å; E787-R789 IonicContact OE1-CZ 3Å; E787-R789 IonicContact OE1-NE 3.34Å; E787-R789 PolarHBondContact OE1-NE 3.22Å; E787-R789 VanDerWaalsContact OE1-NE 3.14Å; E787-R789 IonicContact OE1-NH1 3.94Å; E787-R789 IonicContact OE1-NH2 3.22Å; E787-R789 PolarHBondContact OE1-NH2 3.16Å; E787-R789 IonicContact OE2-CZ 3.27Å; E787-R789 VanDerWaalsContact OE2-CZ 3.23Å; E787-R789 IonicContact OE2-NE 3.29Å; E787-R789 PolarHBondContact OE2-NE 3.26Å; E787-R789 VanDerWaalsContact OE2-NE 3.16Å; E787-R789 IonicContact OE2-NH2 3.14Å; E787-R789 PolarHBondContact OE2-NH2 3.12Å; E787-Y798 WeakPolarHBondContact CG-O 3.36Å; E787-Y798 PolarHBondContact N-O 3.12Å; E787-Y798 PolarHBondContact O-N 3.18Å; E787-N931 CarbonylContact C-O 3.5Å; E787-N931 VanDerWaalsContact CA-O 3.26Å; E787-N931 WeakPolarHBondContact CA-O 3.31Å; E787-N931 HydrophobicContact CB-CB 4.07Å; E787-P934 HydrophobicContact CB-CG 4.41Å
788L84.9Confident77Confident3.66667 Ų3.6666766.8 Ų66.82%0.01934%0.344CS..EExtended strand (participates in β ladder)trans-90.9127.1172.9-70.5177.3000109.6V795 L797 L865 I930 N931 T932 L935L788-V795 HydrophobicContact CB-CG1 4.29Å; L788-V795 HydrophobicContact CD1-CG1 4.42Å; L788-V795 HydrophobicContact CD2-CG1 4.02Å; L788-V795 HydrophobicContact CG-CG1 4.49Å; L788-L797 HydrophobicContact CD2-CB 4.42Å; L788-L797 HydrophobicContact CD2-CD1 3.78Å; L788-L797 HydrophobicContact CG-CD1 4.17Å; L788-L865 HydrophobicContact CD1-CD2 4.44Å; L788-L865 HydrophobicContact CD2-CD2 3.63Å; L788-I930 HydrophobicContact CD1-CG2 4.05Å; L788-I930 HydrophobicContact CD2-CG2 4.27Å; L788-I930 HydrophobicContact CG-CG2 3.65Å; L788-N931 PolarHBondContact N-O 3.38Å; L788-T932 HydrophobicContact CD1-CG2 4.03Å; L788-L935 HydrophobicContact CB-CB 4.2Å; L788-L935 HydrophobicContact CB-CD2 4.02Å; L788-L935 HydrophobicContact CD1-CD2 4.22Å; L788-L935 WeakPolarHBondContact O-CB 3.42Å; L788-L935 PolarHBondContact O-N 3.29Å
789R82.2Confident77.6Confident109.667 Ų109.66767.8 Ų67.841%0.41435%0.351SS..EExtended strand (participates in β ladder)trans-126.2143.2177.3-66.3-177.9175.6-172.6-0.6110.6E787 V791 K796 Y798 P934E787-R789 VanDerWaalsContact CD-NH2 3.27Å; E787-R789 HydrophobicContact CG-CG 4.3Å; E787-R789 IonicContact OE1-CZ 3Å; E787-R789 IonicContact OE1-NE 3.34Å; E787-R789 PolarHBondContact OE1-NE 3.22Å; E787-R789 VanDerWaalsContact OE1-NE 3.14Å; E787-R789 IonicContact OE1-NH1 3.94Å; E787-R789 IonicContact OE1-NH2 3.22Å; E787-R789 PolarHBondContact OE1-NH2 3.16Å; E787-R789 IonicContact OE2-CZ 3.27Å; E787-R789 VanDerWaalsContact OE2-CZ 3.23Å; E787-R789 IonicContact OE2-NE 3.29Å; E787-R789 PolarHBondContact OE2-NE 3.26Å; E787-R789 VanDerWaalsContact OE2-NE 3.16Å; E787-R789 IonicContact OE2-NH2 3.14Å; E787-R789 PolarHBondContact OE2-NH2 3.12Å; R789-V791 HydrophobicContact CB-CG2 4.4Å; R789-V791 PolarHBondContact O-N 3.12Å; R789-K796 PolarHBondContact N-O 3.07Å; R789-K796 PolarHBondContact O-N 3.39Å; R789-Y798 HydrophobicContact CB-CD2 4.06Å; R789-Y798 HydrophobicContact CB-CE2 4.11Å; R789-Y798 HydrophobicContact CG-CD2 4.25Å; R789-P934 HydrophobicContact CG-CB 4.27Å
790L75.8Confident78.1Confident40.3333 Ų40.333362.5 Ų62.521%0.21133%0.331CS..EExtended strand (participates in β ladder)trans-86.3110.6171.1-171.269.1000109V795 M872 F876 I883 L935 A938L790-V795 HydrophobicContact CD1-CG2 4.2Å; L790-M872 HydrophobicContact CD1-CE 4.23Å; L790-F876 HydrophobicContact CD2-CZ 4.34Å; L790-I883 HydrophobicContact CD2-CD1 4.35Å; L790-L935 HydrophobicContact CB-CD1 3.84Å; L790-L935 HydrophobicContact CD1-CD1 4.42Å; L790-A938 HydrophobicContact CB-CB 4.22Å; L790-A938 HydrophobicContact CD2-CB 4.38Å
791V73.3Confident78.6Confident47.3333 Ų47.333361.3 Ų61.329%0.28732%0.32SS..EExtended strand (participates in β ladder)trans-111.1113.1176.1-177.90000108.5R789 T793 S794 K796 Y798R789-V791 HydrophobicContact CB-CG2 4.4Å; R789-V791 PolarHBondContact O-N 3.12Å; V791-T793 VanDerWaalsContact C-N 3.28Å; V791-T793 PolarHBondContact O-N 3.02Å; V791-S794 PolarHBondContact N-O 3.08Å; V791-S794 PolarHBondContact O-N 3Å; V791-S794 PolarHBondContact O-OG 3.32Å; V791-K796 HydrophobicContact CB-CD 4.35Å; V791-K796 HydrophobicContact CG2-CD 4.47Å; V791-Y798 HydrophobicContact CG2-CE2 4.13Å
792Q69.5Low79.1Confident163.333 Ų163.33368.2 Ų68.276%0.76335%0.352SS*.THydrogen-bonded Turntrans56.9-94.5-170.7-60.3172.9-27.400111.1
793T66.4Low79.8Confident89.3333 Ų89.333369.2 Ų69.255%0.54835%0.349SS..THydrogen-bonded Turntrans-123.81.8-177.456.70000112.9V791 F877 I883V791-T793 VanDerWaalsContact C-N 3.28Å; V791-T793 PolarHBondContact O-N 3.02Å; T793-F877 HydrophobicContact CG2-CE1 4.37Å; T793-F877 HydrophobicContact CG2-CZ 4.47Å; T793-F877 WeakPolarHBondContact O-CE2 3.08Å; T793-I883 HydrophobicContact CG2-CG2 3.24Å
794S66.9Low80.3Confident43 Ų4365.7 Ų65.730%0.30132%0.324SS..EExtended strand (participates in β ladder)trans-119.1135.3-173.964.40000111.9V791 K796V791-S794 PolarHBondContact N-O 3.08Å; V791-S794 PolarHBondContact O-N 3Å; V791-S794 PolarHBondContact O-OG 3.32Å; S794-K796 PolarHBondContact O-N 3.4Å; S794-K796 VanDerWaalsContact OG-CE 3.23Å; S794-K796 WeakPolarHBondContact OG-CE 3.38Å
795V77.5Confident80.6Confident18.3333 Ų18.333369.1 Ų69.111%0.11134%0.335CS..EExtended strand (participates in β ladder)trans-79118.6172.1-178.10000108.2L788 L790 K869 M872 L935L788-V795 HydrophobicContact CB-CG1 4.29Å; L788-V795 HydrophobicContact CD1-CG1 4.42Å; L788-V795 HydrophobicContact CD2-CG1 4.02Å; L788-V795 HydrophobicContact CG-CG1 4.49Å; L790-V795 HydrophobicContact CD1-CG2 4.2Å; V795-K869 HydrophobicContact CB-CG 4.25Å; V795-K869 WeakPolarHBondContact O-CE 3.22Å; V795-M872 HydrophobicContact CG2-CB 4.09Å; V795-M872 HydrophobicContact CG2-CE 3.79Å; V795-M872 HydrophobicContact CG2-CG 4.23Å; V795-L935 HydrophobicContact CG1-CD1 4.41Å; V795-L935 HydrophobicContact CG1-CD2 4Å; V795-L935 HydrophobicContact CG2-CD1 4.16Å; V795-L935 HydrophobicContact CG2-CD2 4.44Å
796K80.7Confident80.7Confident102.333 Ų102.33365.2 Ų65.245%0.44533%0.328SS..EExtended strand (participates in β ladder)trans-121.8146.1179.7-66.3-172.2178.3-177.90110.7R789 V791 S794 Y798R789-K796 PolarHBondContact N-O 3.07Å; R789-K796 PolarHBondContact O-N 3.39Å; V791-K796 HydrophobicContact CB-CD 4.35Å; V791-K796 HydrophobicContact CG2-CD 4.47Å; S794-K796 PolarHBondContact O-N 3.4Å; S794-K796 VanDerWaalsContact OG-CE 3.23Å; S794-K796 WeakPolarHBondContact OG-CE 3.38Å; K796-Y798 HydrophobicContact CB-CD2 4.43Å; K796-Y798 HydrophobicContact CB-CE2 3.92Å
797L83.8Confident80.6Confident19 Ų1970.4 Ų70.410%0.09935%0.349CS..EExtended strand (participates in β ladder)trans-86.3136.4173.8-168.170.3000109.7A786 L788 P799 S800 L804 L861 L865 M928 I930A786-L797 HydrophobicContact CB-CD1 3.74Å; A786-L797 HydrophobicContact CB-CD2 4.44Å; A786-L797 HydrophobicContact CB-CG 4.1Å; L788-L797 HydrophobicContact CD2-CB 4.42Å; L788-L797 HydrophobicContact CD2-CD1 3.78Å; L788-L797 HydrophobicContact CG-CD1 4.17Å; L797-P799 CarbonylContact C-O 3.52Å; L797-P799 VanDerWaalsContact C-O 3.25Å; L797-P799 WeakPolarHBondContact CG-O 3.31Å; L797-P799 CarbonylContact O-C 3.57Å; L797-S800 WeakPolarHBondContact O-CA 3.41Å; L797-S800 PolarHBondContact O-N 3.38Å; L797-L804 HydrophobicContact CD2-CD1 3.4Å; L797-L804 VanDerWaalsContact CD2-CD1 3.44Å; L797-L804 HydrophobicContact CG-CD1 4.14Å; L797-L861 HydrophobicContact CD2-CD2 4.28Å; L797-L865 HydrophobicContact CB-CD2 4.38Å; L797-L865 HydrophobicContact CD1-CD2 4.28Å; L797-L865 HydrophobicContact CD2-CD1 4.06Å; L797-L865 HydrophobicContact CD2-CD2 4.4Å; L797-M928 HydrophobicContact CD2-CE 4.49Å; L797-I930 HydrophobicContact CD1-CG2 4.02Å
798Y82Confident80.5Confident103.333 Ų103.33368.3 Ų68.341%0.40534%0.339SS..EExtended strand (participates in β ladder)trans-126.1125.1174.3-89.6-89.6000110A786 E787 R789 V791 K796A786-Y798 CarbonylContact C-O 3.47Å; A786-Y798 WeakPolarHBondContact CA-O 3.46Å; E787-Y798 WeakPolarHBondContact CG-O 3.36Å; E787-Y798 PolarHBondContact N-O 3.12Å; E787-Y798 PolarHBondContact O-N 3.18Å; R789-Y798 HydrophobicContact CB-CD2 4.06Å; R789-Y798 HydrophobicContact CB-CE2 4.11Å; R789-Y798 HydrophobicContact CG-CD2 4.25Å; V791-Y798 HydrophobicContact CG2-CE2 4.13Å; K796-Y798 HydrophobicContact CB-CD2 4.43Å; K796-Y798 HydrophobicContact CB-CE2 3.92Å
799P87.2Confident80.5Confident44.3333 Ų44.333369.5 Ų69.529%0.28835%0.35SS..SBendcis-54.5163-11.3-2032.2000112.8L797 E803 L804L797-P799 CarbonylContact C-O 3.52Å; L797-P799 VanDerWaalsContact C-O 3.25Å; L797-P799 WeakPolarHBondContact CG-O 3.31Å; L797-P799 CarbonylContact O-C 3.57Å; P799-E803 VanDerWaalsContact CA-OE2 3.28Å; P799-E803 WeakPolarHBondContact CA-OE2 3.3Å; P799-E803 HydrophobicContact CB-CB 3.92Å; P799-E803 WeakPolarHBondContact CB-OE2 3.25Å; P799-L804 HydrophobicContact CB-CD2 4.32Å; P799-L804 HydrophobicContact CB-CG 4.27Å; P799-L804 HydrophobicContact CG-CD2 4.22Å; P799-L804 WeakPolarHBondContact O-CD1 3.33Å
800S85.7Confident80.7Confident40.3333 Ų40.333371.2 Ų71.228%0.28236%0.36SS..  trans-62.1157.9179.873.80000111.3L797 E802 E803 L804L797-S800 WeakPolarHBondContact O-CA 3.41Å; L797-S800 PolarHBondContact O-N 3.38Å; S800-E802 PolarHBondContact O-N 2.93Å; S800-E803 PolarHBondContact N-OE2 3.01Å; S800-E803 WeakPolarHBondContact O-CB 3.31Å; S800-E803 PolarHBondContact O-N 3.03Å; S800-E803 VanDerWaalsContact O-N 3.12Å; S800-E803 VanDerWaalsContact OG-CG 3.29Å; S800-E803 WeakPolarHBondContact OG-CG 3.32Å; S800-E803 PolarHBondContact OG-N 3.29Å; S800-E803 PolarHBondContact OG-OE2 3.5Å; S800-L804 WeakPolarHBondContact O-CG 3.34Å; S800-L804 PolarHBondContact O-N 3.07Å
801E81.7Confident81Confident58.25 Ų58.2572.5 Ų72.527%0.27237%0.365SS..Hα-helixtrans-55.8-39.9176.5-170.6-166.9144.400111.6E803 L804 R805 F858 L861E801-E803 VanDerWaalsContact C-N 3.35Å; E801-E803 PolarHBondContact O-N 3.11Å; E801-L804 PolarHBondContact O-N 3.16Å; E801-R805 VanDerWaalsContact O-CB 3.29Å; E801-R805 WeakPolarHBondContact O-CB 3.36Å; E801-R805 PolarHBondContact O-N 3.01Å; E801-R805 IonicContact OE1-NH1 3.05Å; E801-R805 PolarHBondContact OE1-NH1 3.1Å; E801-F858 HydrophobicContact CG-CD1 4.07Å; E801-F858 HydrophobicContact CG-CE1 4.43Å; E801-L861 HydrophobicContact CG-CD2 4.41Å
802E83Confident81.5Confident163.25 Ų163.2570.2 Ų70.276%0.76335%0.351SS*.Hα-helixtrans-62-41.5176.6-63.6177.1176.800112S800 R805 A806S800-E802 PolarHBondContact O-N 2.93Å; E802-R805 PolarHBondContact O-N 3.25Å; E802-A806 VanDerWaalsContact O-CB 3.3Å; E802-A806 WeakPolarHBondContact O-CB 3.29Å; E802-A806 PolarHBondContact O-N 2.99Å
803E85.2Confident82.3Confident108.75 Ų108.7568.2 Ų68.251%0.50834%0.34SS..Hα-helixtrans-68.3-39.9176.3-73.5170.9159.100112P799 S800 E801 R805 A806 K807P799-E803 VanDerWaalsContact CA-OE2 3.28Å; P799-E803 WeakPolarHBondContact CA-OE2 3.3Å; P799-E803 HydrophobicContact CB-CB 3.92Å; P799-E803 WeakPolarHBondContact CB-OE2 3.25Å; S800-E803 PolarHBondContact N-OE2 3.01Å; S800-E803 WeakPolarHBondContact O-CB 3.31Å; S800-E803 PolarHBondContact O-N 3.03Å; S800-E803 VanDerWaalsContact O-N 3.12Å; S800-E803 VanDerWaalsContact OG-CG 3.29Å; S800-E803 WeakPolarHBondContact OG-CG 3.32Å; S800-E803 PolarHBondContact OG-N 3.29Å; S800-E803 PolarHBondContact OG-OE2 3.5Å; E801-E803 VanDerWaalsContact C-N 3.35Å; E801-E803 PolarHBondContact O-N 3.11Å; E803-R805 VanDerWaalsContact C-N 3.35Å; E803-A806 PolarHBondContact O-N 3.24Å; E803-K807 WeakPolarHBondContact O-CB 3.39Å; E803-K807 VanDerWaalsContact O-CG 3.32Å; E803-K807 WeakPolarHBondContact O-CG 3.15Å; E803-K807 PolarHBondContact O-N 3.2Å
804L84.6Confident83.2Confident2.75 Ų2.7571.1 Ų71.11%0.01434%0.341CS..Hα-helixtrans-65.6-41.9175.4-69.6171.9000111L784 A786 L797 P799 S800 E801 K807 Y808 F858 L861 M928L784-L804 HydrophobicContact CD1-CD2 4.48Å; A786-L804 HydrophobicContact CB-CD1 3.91Å; A786-L804 HydrophobicContact CB-CD2 4.39Å; L797-L804 HydrophobicContact CD2-CD1 3.4Å; L797-L804 VanDerWaalsContact CD2-CD1 3.44Å; L797-L804 HydrophobicContact CG-CD1 4.14Å; P799-L804 HydrophobicContact CB-CD2 4.32Å; P799-L804 HydrophobicContact CB-CG 4.27Å; P799-L804 HydrophobicContact CG-CD2 4.22Å; P799-L804 WeakPolarHBondContact O-CD1 3.33Å; S800-L804 WeakPolarHBondContact O-CG 3.34Å; S800-L804 PolarHBondContact O-N 3.07Å; E801-L804 PolarHBondContact O-N 3.16Å; L804-K807 PolarHBondContact O-N 2.91Å; L804-Y808 WeakPolarHBondContact O-CB 3.35Å; L804-Y808 PolarHBondContact O-N 3.19Å; L804-F858 HydrophobicContact CB-CE1 4.18Å; L804-F858 HydrophobicContact CB-CZ 4.42Å; L804-L861 HydrophobicContact CD1-CD2 4.5Å; L804-M928 HydrophobicContact CD1-CE 3.86Å; L804-M928 HydrophobicContact CD1-SD 4.05Å; L804-M928 HydrophobicContact CD2-SD 4.11Å; L804-M928 HydrophobicContact CG-SD 4.46Å
805R85.6Confident84.2Confident94.75 Ų94.7569.3 Ų69.336%0.35833%0.327SS..Hα-helixtrans-63.7-42.7174.8-162.7177.3-161.4147.21.4111.5E801 E802 E803 K807 Y808 A809 M854 N855 F858E801-R805 VanDerWaalsContact O-CB 3.29Å; E801-R805 WeakPolarHBondContact O-CB 3.36Å; E801-R805 PolarHBondContact O-N 3.01Å; E801-R805 IonicContact OE1-NH1 3.05Å; E801-R805 PolarHBondContact OE1-NH1 3.1Å; E802-R805 PolarHBondContact O-N 3.25Å; E803-R805 VanDerWaalsContact C-N 3.35Å; R805-K807 VanDerWaalsContact C-N 3.34Å; R805-K807 PolarHBondContact O-N 3.24Å; R805-Y808 PolarHBondContact O-N 3.3Å; R805-A809 WeakPolarHBondContact O-CB 3.41Å; R805-A809 PolarHBondContact O-N 3.21Å; R805-M854 HydrophobicContact CG-CE 4.26Å; R805-N855 PolarHBondContact NH2-OD1 3.18Å; R805-N855 VanDerWaalsContact NH2-OD1 3.16Å; R805-F858 VanDerWaalsContact CA-CZ 3.43Å; R805-F858 HydrophobicContact CB-CD1 4.25Å; R805-F858 HydrophobicContact CB-CE1 3.89Å; R805-F858 HydrophobicContact CB-CE2 4.21Å; R805-F858 HydrophobicContact CB-CZ 3.81Å; R805-F858 HydrophobicContact CG-CD1 4.45Å; R805-F858 HydrophobicContact CG-CD2 4.18Å; R805-F858 HydrophobicContact CG-CE1 4.39Å; R805-F858 HydrophobicContact CG-CE2 4Å; R805-F858 HydrophobicContact CG-CG 4.45Å; R805-F858 HydrophobicContact CG-CZ 4.13Å
806A85.7Confident84.6Confident61.75 Ų61.7569.1 Ų69.151%0.5133%0.326SS..Hα-helixtrans-63.5-41.1175.100000112.1E802 E803 K810E802-A806 VanDerWaalsContact O-CB 3.3Å; E802-A806 WeakPolarHBondContact O-CB 3.29Å; E802-A806 PolarHBondContact O-N 2.99Å; E803-A806 PolarHBondContact O-N 3.24Å; A806-K810 VanDerWaalsContact O-CB 3.29Å; A806-K810 WeakPolarHBondContact O-CB 3.44Å; A806-K810 PolarHBondContact O-N 3.14Å
807K83.7Confident85Confident115.5 Ų115.566.5 Ų66.550%0.50232%0.317SS..Hα-helixtrans-65.5-46.1176.1-122.9177.9-179.2-178.70111.7L784 E803 L804 R805 A809 K810 E811L784-K807 HydrophobicContact CD2-CD 3.98Å; L784-K807 HydrophobicContact CD2-CG 4.35Å; E803-K807 WeakPolarHBondContact O-CB 3.39Å; E803-K807 VanDerWaalsContact O-CG 3.32Å; E803-K807 WeakPolarHBondContact O-CG 3.15Å; E803-K807 PolarHBondContact O-N 3.2Å; L804-K807 PolarHBondContact O-N 2.91Å; R805-K807 VanDerWaalsContact C-N 3.34Å; R805-K807 PolarHBondContact O-N 3.24Å; K807-A809 PolarHBondContact O-N 2.88Å; K807-K810 WeakPolarHBondContact O-CB 3.38Å; K807-K810 PolarHBondContact O-N 3.15Å; K807-E811 PolarHBondContact O-N 3.14Å; K807-E811 VanDerWaalsContact O-N 3.12Å
808Y84.9Confident85.1Confident5.5 Ų5.567 Ų672%0.02232%0.319CS..Hα-helixtrans-62.6-46.2177.4-161.5-84.4000111.4N778 M781 L784 L804 R805 K810 E811 M812 M854 F857 F858 M928N778-Y808 VanDerWaalsContact CA-OH 3.31Å; N778-Y808 WeakPolarHBondContact CA-OH 3.32Å; N778-Y808 WeakPolarHBondContact CB-OH 3.23Å; N778-Y808 VanDerWaalsContact CG-OH 3.25Å; N778-Y808 PolarHBondContact OD1-OH 3.23Å; M781-Y808 HydrophobicContact CB-CE2 4.09Å; M781-Y808 HydrophobicContact CE-CD1 4.27Å; M781-Y808 HydrophobicContact CE-CD2 4.14Å; M781-Y808 HydrophobicContact CE-CE1 4.09Å; M781-Y808 HydrophobicContact CE-CE2 4.22Å; M781-Y808 HydrophobicContact CE-CG 4.33Å; M781-Y808 HydrophobicContact CG-CE1 4.36Å; M781-Y808 HydrophobicContact CG-CE2 3.76Å; M781-Y808 WeakPolarHBondContact CG-OH 3.5Å; L784-Y808 HydrophobicContact CD1-CD2 3.8Å; L784-Y808 HydrophobicContact CD1-CG 4.48Å; L804-Y808 WeakPolarHBondContact O-CB 3.35Å; L804-Y808 PolarHBondContact O-N 3.19Å; R805-Y808 PolarHBondContact O-N 3.3Å; Y808-K810 VanDerWaalsContact C-N 3.29Å; Y808-K810 PolarHBondContact O-N 3.21Å; Y808-E811 PolarHBondContact O-N 3.15Å; Y808-M812 HydrophobicContact CD1-CG 3.96Å; Y808-M812 HydrophobicContact CD1-SD 3.74Å; Y808-M812 HydrophobicContact CE1-CG 3.92Å; Y808-M812 HydrophobicContact CE1-SD 3.63Å; Y808-M812 VanDerWaalsContact CE1-SD 3.54Å; Y808-M812 WeakPolarHBondContact O-CG 3.3Å; Y808-M812 PolarHBondContact O-N 3.09Å; Y808-M854 HydrophobicContact CD1-CB 4.44Å; Y808-M854 HydrophobicContact CD1-CG 3.61Å; Y808-M854 HydrophobicContact CD1-SD 3.86Å; Y808-M854 HydrophobicContact CE1-CB 4.17Å; Y808-M854 HydrophobicContact CE1-CG 3.78Å; Y808-M854 HydrophobicContact CE1-SD 4.38Å; Y808-F857 HydrophobicContact CD2-CE1 4.49Å; Y808-F857 HydrophobicContact CE2-CD2 4.31Å; Y808-F857 HydrophobicContact CE2-CE1 4.45Å; Y808-F857 AromaticContact CE2-CE2 3.95Å; Y808-F857 HydrophobicContact CE2-CE2 4.03Å; Y808-F858 HydrophobicContact CD1-CE2 4.42Å; Y808-F858 HydrophobicContact CG-CE2 4.26Å; Y808-M928 HydrophobicContact CD2-CE 4.33Å
809A84.8Confident85.4Confident29 Ų2962 Ų6224%0.2430%0.3CS..Hα-helixtrans-62.6-34.7176.300000112.5R805 K807 M812 K813 M854R805-A809 WeakPolarHBondContact O-CB 3.41Å; R805-A809 PolarHBondContact O-N 3.21Å; K807-A809 PolarHBondContact O-N 2.88Å; A809-M812 PolarHBondContact O-N 3.28Å; A809-K813 VanDerWaalsContact O-CB 3.29Å; A809-K813 WeakPolarHBondContact O-CB 3.4Å; A809-K813 PolarHBondContact O-N 3.06Å; A809-M854 HydrophobicContact CB-SD 4.48Å
810K85.6Confident85.2Confident144 Ų14463.2 Ų63.263%0.62630%0.303SS*.Hα-helixtrans-66-42.2175.3-173.6-179.2-179.9-178.80112A806 K807 Y808 K813 R814A806-K810 VanDerWaalsContact O-CB 3.29Å; A806-K810 WeakPolarHBondContact O-CB 3.44Å; A806-K810 PolarHBondContact O-N 3.14Å; K807-K810 WeakPolarHBondContact O-CB 3.38Å; K807-K810 PolarHBondContact O-N 3.15Å; Y808-K810 VanDerWaalsContact C-N 3.29Å; Y808-K810 PolarHBondContact O-N 3.21Å; K810-K813 PolarHBondContact O-N 3.22Å; K810-R814 WeakPolarHBondContact O-CB 3.38Å; K810-R814 WeakPolarHBondContact O-CG 3.43Å; K810-R814 PolarHBondContact O-N 3.25Å
811E82.2Confident85.1Confident67.75 Ų67.7566.9 Ų66.932%0.31732%0.319SS..Hα-helixtrans-68.7-39.7175.6-67.1-53.3140.400111.7M781 K807 Y808 K813 R814 F815M781-E811 HydrophobicContact CE-CB 3.77Å; M781-E811 HydrophobicContact CE-CG 4.49Å; M781-E811 HydrophobicContact SD-CB 4.02Å; K807-E811 PolarHBondContact O-N 3.14Å; K807-E811 VanDerWaalsContact O-N 3.12Å; Y808-E811 PolarHBondContact O-N 3.15Å; E811-K813 PolarHBondContact O-N 3.08Å; E811-R814 WeakPolarHBondContact O-CB 3.25Å; E811-R814 PolarHBondContact O-N 3.21Å; E811-R814 IonicContact OE1-CZ 3.57Å; E811-R814 IonicContact OE1-NH1 2.81Å; E811-R814 PolarHBondContact OE1-NH1 3.22Å; E811-R814 WeakPolarHBondContact OE2-CD 3.34Å; E811-R814 IonicContact OE2-CZ 3.63Å; E811-R814 IonicContact OE2-NH1 3.11Å; E811-R814 PolarHBondContact OE2-NH1 2.87Å; E811-F815 PolarHBondContact O-N 3.19Å; E811-F815 VanDerWaalsContact O-N 3.12Å
812M84.7Confident85.2Confident0 Ų065.3 Ų65.30%031%0.311CS..Hα-helixtrans-59.5-47.5171.7-72.2-175.472.700111.4L777 M781 Y808 A809 R814 F815 I816 A850 Y851 M854L777-M812 HydrophobicContact CD2-CB 4.27Å; L777-M812 HydrophobicContact CD2-CE 3.97Å; L777-M812 HydrophobicContact CD2-CG 3.92Å; M781-M812 HydrophobicContact CE-CB 4.27Å; M781-M812 HydrophobicContact CE-CG 3.63Å; Y808-M812 HydrophobicContact CD1-CG 3.96Å; Y808-M812 HydrophobicContact CD1-SD 3.74Å; Y808-M812 HydrophobicContact CE1-CG 3.92Å; Y808-M812 HydrophobicContact CE1-SD 3.63Å; Y808-M812 VanDerWaalsContact CE1-SD 3.54Å; Y808-M812 WeakPolarHBondContact O-CG 3.3Å; Y808-M812 PolarHBondContact O-N 3.09Å; A809-M812 PolarHBondContact O-N 3.28Å; M812-R814 VanDerWaalsContact C-N 3.31Å; M812-R814 PolarHBondContact O-N 3.31Å; M812-F815 PolarHBondContact O-N 3.15Å; M812-F815 VanDerWaalsContact O-N 3.13Å; M812-I816 HydrophobicContact CB-CD1 4.48Å; M812-I816 VanDerWaalsContact O-CG1 3.29Å; M812-I816 WeakPolarHBondContact O-CG1 3.32Å; M812-I816 PolarHBondContact O-N 3.16Å; M812-A850 HydrophobicContact CE-CB 3.82Å; M812-Y851 HydrophobicContact CE-CD1 4.07Å; M812-Y851 HydrophobicContact CE-CD2 4.28Å; M812-Y851 HydrophobicContact CE-CE1 4.21Å; M812-Y851 HydrophobicContact CE-CE2 4.36Å; M812-Y851 HydrophobicContact CE-CG 4.11Å; M812-Y851 HydrophobicContact SD-CD1 4.31Å; M812-Y851 HydrophobicContact SD-CE1 4.24Å; M812-M854 HydrophobicContact SD-CB 4.05Å; M812-M854 HydrophobicContact SD-CG 4.14Å; M812-M854 HydrophobicContact SD-SD 3.72Å; M812-M854 VanDerWaalsContact SD-SD 3.66Å
813K86.1Confident85.1Confident120.25 Ų120.2565.9 Ų65.952%0.52331%0.312SS..Hα-helixtrans-59.7-41.4178-178.3172.1-178.91750111.7A809 K810 E811 F815 I816 D817A809-K813 VanDerWaalsContact O-CB 3.29Å; A809-K813 WeakPolarHBondContact O-CB 3.4Å; A809-K813 PolarHBondContact O-N 3.06Å; K810-K813 PolarHBondContact O-N 3.22Å; E811-K813 PolarHBondContact O-N 3.08Å; K813-F815 VanDerWaalsContact C-N 3.28Å; K813-F815 PolarHBondContact O-N 2.93Å; K813-I816 PolarHBondContact O-N 3.34Å; K813-D817 VanDerWaalsContact CE-OD2 3.26Å; K813-D817 WeakPolarHBondContact CE-OD2 3.46Å; K813-D817 WeakPolarHBondContact CG-OD2 3.42Å; K813-D817 VanDerWaalsContact O-CB 3.29Å; K813-D817 WeakPolarHBondContact O-CB 3.42Å; K813-D817 VanDerWaalsContact O-CG 3.26Å; K813-D817 PolarHBondContact O-N 3.25Å
814R85.5Confident84.9Confident150 Ų15061.5 Ų61.557%0.56630%0.296SS*.Hα-helixtrans-58.1-39.1176.4-155.9179.9174-173.8-0.9112.3K810 E811 M812 D817 I818K810-R814 WeakPolarHBondContact O-CB 3.38Å; K810-R814 WeakPolarHBondContact O-CG 3.43Å; K810-R814 PolarHBondContact O-N 3.25Å; E811-R814 WeakPolarHBondContact O-CB 3.25Å; E811-R814 PolarHBondContact O-N 3.21Å; E811-R814 IonicContact OE1-CZ 3.57Å; E811-R814 IonicContact OE1-NH1 2.81Å; E811-R814 PolarHBondContact OE1-NH1 3.22Å; E811-R814 WeakPolarHBondContact OE2-CD 3.34Å; E811-R814 IonicContact OE2-CZ 3.63Å; E811-R814 IonicContact OE2-NH1 3.11Å; E811-R814 PolarHBondContact OE2-NH1 2.87Å; M812-R814 VanDerWaalsContact C-N 3.31Å; M812-R814 PolarHBondContact O-N 3.31Å; R814-D817 PolarHBondContact O-N 3.46Å; R814-I818 WeakPolarHBondContact O-CG1 3.42Å; R814-I818 PolarHBondContact O-N 3.01Å
815F87.4Confident84.9Confident5.25 Ų5.2562.1 Ų62.12%0.02330%0.298CS..Hα-helixtrans-71.7-43.7174.9-176.7-102.8000112.2L720 L721 Y770 L774 L777 E811 M812 K813 D817 I818L720-F815 HydrophobicContact CB-CE2 4.24Å; L720-F815 HydrophobicContact CD2-CE2 4Å; L720-F815 HydrophobicContact CD2-CZ 4.16Å; L720-F815 HydrophobicContact CG-CE2 4.06Å; L721-F815 HydrophobicContact CB-CD2 4.3Å; L721-F815 HydrophobicContact CB-CE2 3.84Å; L721-F815 HydrophobicContact CB-CZ 4.46Å; L721-F815 HydrophobicContact CD1-CB 4.21Å; L721-F815 HydrophobicContact CD1-CD1 4.39Å; L721-F815 HydrophobicContact CD1-CD2 3.29Å; L721-F815 HydrophobicContact CD1-CE1 4.27Å; L721-F815 HydrophobicContact CD1-CE2 3.55Å; L721-F815 HydrophobicContact CD1-CG 3.76Å; L721-F815 HydrophobicContact CD1-CZ 4.21Å; L721-F815 HydrophobicContact CG-CD2 4.09Å; L721-F815 HydrophobicContact CG-CE2 4.17Å; L721-F815 HydrophobicContact CG-CG 4.3Å; Y770-F815 AromaticContact CD2-CE1 3.9Å; Y770-F815 HydrophobicContact CD2-CE1 3.9Å; Y770-F815 HydrophobicContact CD2-CZ 4.05Å; Y770-F815 HydrophobicContact CE2-CD1 4.32Å; Y770-F815 AromaticContact CE2-CE1 3.95Å; Y770-F815 HydrophobicContact CE2-CE1 4Å; L774-F815 HydrophobicContact CD2-CD1 4.11Å; L774-F815 HydrophobicContact CD2-CE1 4.02Å; L774-F815 HydrophobicContact CG-CE1 4.08Å; L777-F815 HydrophobicContact CD1-CB 3.98Å; L777-F815 HydrophobicContact CD1-CD1 3.77Å; L777-F815 HydrophobicContact CD1-CE1 4.46Å; L777-F815 HydrophobicContact CD1-CG 3.84Å; L777-F815 HydrophobicContact CD2-CD1 4.37Å; E811-F815 PolarHBondContact O-N 3.19Å; E811-F815 VanDerWaalsContact O-N 3.12Å; M812-F815 PolarHBondContact O-N 3.15Å; M812-F815 VanDerWaalsContact O-N 3.13Å; K813-F815 VanDerWaalsContact C-N 3.28Å; K813-F815 PolarHBondContact O-N 2.93Å; F815-D817 VanDerWaalsContact C-N 3.26Å; F815-D817 PolarHBondContact O-N 3.31Å; F815-I818 HydrophobicContact CD2-CD1 3.57Å; F815-I818 VanDerWaalsContact CD2-CD1 3.47Å; F815-I818 HydrophobicContact CE2-CD1 4.03Å; F815-I818 HydrophobicContact CG-CD1 4.35Å; F815-I818 WeakPolarHBondContact O-CB 3.43Å; F815-I818 VanDerWaalsContact O-CG1 3.29Å; F815-I818 WeakPolarHBondContact O-CG1 3.36Å; F815-I818 PolarHBondContact O-N 3.18Å; F815-I818 VanDerWaalsContact O-N 3.15Å
816I87.1Confident84.4Confident15.25 Ų15.2559.7 Ų59.78%0.07829%0.292CS..Hα-helixtrans-60.9-35.8178.4-68163.6000111.7Y770 L774 M812 K813 I818 P819 V840 I847 Y851Y770-I816 PolarHBondContact OH-O 3.33Å; L774-I816 HydrophobicContact CD2-CG1 4.32Å; M812-I816 HydrophobicContact CB-CD1 4.48Å; M812-I816 VanDerWaalsContact O-CG1 3.29Å; M812-I816 WeakPolarHBondContact O-CG1 3.32Å; M812-I816 PolarHBondContact O-N 3.16Å; K813-I816 PolarHBondContact O-N 3.34Å; I816-I818 VanDerWaalsContact C-N 3.28Å; I816-I818 PolarHBondContact O-N 3.08Å; I816-P819 VanDerWaalsContact O-CD 3.29Å; I816-P819 WeakPolarHBondContact O-CD 3.39Å; I816-V840 HydrophobicContact CG2-CG1 4.16Å; I816-I847 HydrophobicContact CD1-CG2 3.8Å; I816-I847 HydrophobicContact CG1-CG2 4.46Å; I816-I847 HydrophobicContact CG2-CD1 4.15Å; I816-Y851 HydrophobicContact CD1-CE2 3.77Å
817D87.8Confident83.4Confident47.25 Ų47.2563.6 Ų63.625%0.25330%0.304SS..THydrogen-bonded Turntrans-78.2-4.2-178.6-71-13.9000113.5K813 R814 F815 I820 N821K813-D817 VanDerWaalsContact CE-OD2 3.26Å; K813-D817 WeakPolarHBondContact CE-OD2 3.46Å; K813-D817 WeakPolarHBondContact CG-OD2 3.42Å; K813-D817 VanDerWaalsContact O-CB 3.29Å; K813-D817 WeakPolarHBondContact O-CB 3.42Å; K813-D817 VanDerWaalsContact O-CG 3.26Å; K813-D817 PolarHBondContact O-N 3.25Å; R814-D817 PolarHBondContact O-N 3.46Å; F815-D817 VanDerWaalsContact C-N 3.26Å; F815-D817 PolarHBondContact O-N 3.31Å; D817-I820 PolarHBondContact O-N 3.28Å; D817-N821 PolarHBondContact O-N 3.22Å; D817-N821 VanDerWaalsContact O-N 3.16Å; D817-N821 PolarHBondContact O-ND2 3.28Å; D817-N821 VanDerWaalsContact O-ND2 3.09Å
818I87.5Confident82.2Confident29 Ų2963.8 Ų63.815%0.14932%0.315CS..THydrogen-bonded Turntrans-59.3-52.6-179-65.6172.4000111.6L720 Q724 R814 F815 I816 I820 N821 F822L720-I818 HydrophobicContact CD1-CG2 4.2Å; L720-I818 HydrophobicContact CD2-CB 4.47Å; L720-I818 HydrophobicContact CD2-CD1 4.14Å; L720-I818 HydrophobicContact CD2-CG2 4.2Å; L720-I818 HydrophobicContact CG-CD1 4.26Å; L720-I818 HydrophobicContact CG-CG2 4.43Å; Q724-I818 VanDerWaalsContact NE2-CD1 3.28Å; R814-I818 WeakPolarHBondContact O-CG1 3.42Å; R814-I818 PolarHBondContact O-N 3.01Å; F815-I818 HydrophobicContact CD2-CD1 3.57Å; F815-I818 VanDerWaalsContact CD2-CD1 3.47Å; F815-I818 HydrophobicContact CE2-CD1 4.03Å; F815-I818 HydrophobicContact CG-CD1 4.35Å; F815-I818 WeakPolarHBondContact O-CB 3.43Å; F815-I818 VanDerWaalsContact O-CG1 3.29Å; F815-I818 WeakPolarHBondContact O-CG1 3.36Å; F815-I818 PolarHBondContact O-N 3.18Å; F815-I818 VanDerWaalsContact O-N 3.15Å; I816-I818 VanDerWaalsContact C-N 3.28Å; I816-I818 PolarHBondContact O-N 3.08Å; I818-I820 VanDerWaalsContact C-N 3.28Å; I818-I820 PolarHBondContact O-N 3.3Å; I818-N821 CarbonylContact O-C 3.43Å; I818-N821 PolarHBondContact O-N 3.19Å; I818-F822 HydrophobicContact CG2-CD2 4.44Å; I818-F822 WeakPolarHBondContact O-CB 3.42Å; I818-F822 PolarHBondContact O-N 3.39Å; I818-F822 VanDerWaalsContact O-N 3.08Å
819P86.7Confident80.9Confident0 Ų066.7 Ų66.70%033%0.333CS..THydrogen-bonded Turntrans-65.4-27.2-179.4-20.434.3000113.7L766 Y770 I816 F822 F836 V839 V840L766-P819 HydrophobicContact CD2-CB 4.21Å; Y770-P819 HydrophobicContact CD1-CG 4.43Å; Y770-P819 HydrophobicContact CD2-CG 3.57Å; Y770-P819 VanDerWaalsContact CD2-CG 3.45Å; Y770-P819 HydrophobicContact CE1-CG 4.43Å; Y770-P819 HydrophobicContact CE2-CG 3.6Å; Y770-P819 VanDerWaalsContact CE2-CG 3.45Å; Y770-P819 HydrophobicContact CG-CG 4.01Å; I816-P819 VanDerWaalsContact O-CD 3.29Å; I816-P819 WeakPolarHBondContact O-CD 3.39Å; P819-F822 WeakPolarHBondContact O-CB 3.15Å; P819-F822 PolarHBondContact O-N 3.06Å; P819-F836 VanDerWaalsContact CB-O 3.32Å; P819-F836 WeakPolarHBondContact CB-O 3.38Å; P819-F836 CarbonylContact O-C 3.55Å; P819-F836 WeakPolarHBondContact O-CB 3.42Å; P819-V839 HydrophobicContact CB-CB 4.2Å; P819-V839 HydrophobicContact CG-CG1 4.46Å; P819-V840 HydrophobicContact CB-CG2 3.97Å; P819-V840 HydrophobicContact CG-CG2 4.08Å
820I84Confident79.5Confident69.5 Ų69.569.5 Ų69.536%0.35635%0.348SS..THydrogen-bonded Turntrans-67.7-42.1176.8-58.2176.7000110.4D817 I818 F822 A837 V840D817-I820 PolarHBondContact O-N 3.28Å; I818-I820 VanDerWaalsContact C-N 3.28Å; I818-I820 PolarHBondContact O-N 3.3Å; I820-F822 VanDerWaalsContact C-N 3.32Å; I820-A837 HydrophobicContact CG1-CB 4.5Å; I820-V840 HydrophobicContact CD1-CG2 4.29Å; I820-V840 HydrophobicContact CG1-CG2 3.82Å
821N83.6Confident78Confident116.75 Ų116.7567.1 Ų67.162%0.62435%0.35SS*.Hα-helixtrans-89.82.2-179.5-64.6-56.4000113.3D817 I818 K823D817-N821 PolarHBondContact O-N 3.22Å; D817-N821 VanDerWaalsContact O-N 3.16Å; D817-N821 PolarHBondContact O-ND2 3.28Å; D817-N821 VanDerWaalsContact O-ND2 3.09Å; I818-N821 CarbonylContact O-C 3.43Å; I818-N821 PolarHBondContact O-N 3.19Å; N821-K823 PolarHBondContact O-N 3.07Å
822F84.5Confident76.7Confident24 Ų2472.9 Ų72.911%0.10538%0.377CS..  trans-74.1125.6-176.1-161.5-88.9000110.9W727 L731 L762 L766 I818 P819 I820 F836W727-F822 HydrophobicContact CE3-CE2 4.13Å; W727-F822 HydrophobicContact CE3-CZ 4.24Å; W727-F822 HydrophobicContact CZ3-CE2 4.21Å; W727-F822 HydrophobicContact CZ3-CZ 4.23Å; L731-F822 HydrophobicContact CD1-CE1 4.38Å; L731-F822 HydrophobicContact CD1-CE2 3.91Å; L731-F822 HydrophobicContact CD1-CZ 3.53Å; L731-F822 HydrophobicContact CD2-CZ 4.32Å; L762-F822 HydrophobicContact CD1-CE1 4.5Å; L762-F822 HydrophobicContact CD1-CZ 4.17Å; L762-F822 HydrophobicContact CD2-CE1 3.55Å; L762-F822 VanDerWaalsContact CD2-CE1 3.48Å; L762-F822 HydrophobicContact CD2-CZ 3.87Å; L762-F822 HydrophobicContact CG-CE1 3.88Å; L762-F822 HydrophobicContact CG-CZ 4.04Å; L766-F822 HydrophobicContact CD1-CD2 3.89Å; L766-F822 HydrophobicContact CD1-CE2 3.8Å; L766-F822 HydrophobicContact CD1-CG 4.48Å; L766-F822 HydrophobicContact CD1-CZ 4.28Å; L766-F822 HydrophobicContact CD2-CB 4.19Å; L766-F822 HydrophobicContact CD2-CD1 3.96Å; L766-F822 HydrophobicContact CD2-CD2 3.96Å; L766-F822 HydrophobicContact CD2-CE1 4.29Å; L766-F822 HydrophobicContact CD2-CE2 4.29Å; L766-F822 HydrophobicContact CD2-CG 3.77Å; L766-F822 HydrophobicContact CD2-CZ 4.44Å; I818-F822 HydrophobicContact CG2-CD2 4.44Å; I818-F822 WeakPolarHBondContact O-CB 3.42Å; I818-F822 PolarHBondContact O-N 3.39Å; I818-F822 VanDerWaalsContact O-N 3.08Å; P819-F822 WeakPolarHBondContact O-CB 3.15Å; P819-F822 PolarHBondContact O-N 3.06Å; I820-F822 VanDerWaalsContact C-N 3.32Å; F822-F836 HydrophobicContact CB-CB 4.12Å; F822-F836 HydrophobicContact CB-CG 4.35Å; F822-F836 HydrophobicContact CD1-CB 4.4Å; F822-F836 AromaticContact CD1-CD1 3.81Å; F822-F836 HydrophobicContact CD1-CD1 3.81Å; F822-F836 AromaticContact CD1-CD2 3.86Å; F822-F836 HydrophobicContact CD1-CD2 3.86Å; F822-F836 AromaticContact CD1-CE1 3.83Å; F822-F836 HydrophobicContact CD1-CE1 3.98Å; F822-F836 AromaticContact CD1-CE2 3.9Å; F822-F836 HydrophobicContact CD1-CE2 4.06Å; F822-F836 AromaticContact CD1-CG 3.75Å; F822-F836 HydrophobicContact CD1-CG 3.75Å; F822-F836 AromaticContact CD1-CZ 3.93Å; F822-F836 HydrophobicContact CD1-CZ 4.11Å; F822-F836 HydrophobicContact CE1-CD1 4.21Å; F822-F836 AromaticContact CE1-CE1 3.9Å; F822-F836 HydrophobicContact CE1-CE1 3.98Å; F822-F836 HydrophobicContact CE1-CE2 4.36Å; F822-F836 HydrophobicContact CE1-CG 4.47Å; F822-F836 AromaticContact CE1-CZ 3.91Å; F822-F836 HydrophobicContact CE1-CZ 4.14Å; F822-F836 HydrophobicContact CG-CG 4.44Å
823K80.4Confident75.5Confident177 Ų17782.6 Ų82.677%0.7741%0.414SS*.  trans-104.1118.2178.7-64.9-175.1-179.9-1770109.5N821N821-K823 PolarHBondContact O-N 3.07Å
824G81.1Confident74.8Confident16.75 Ų16.7577.8 Ų77.817%0.17340%0.395CS..  trans-76.7-172.3170.200000113D759 L826D759-G824 VanDerWaalsContact OD1-CA 3.25Å; D759-G824 WeakPolarHBondContact OD1-CA 3.44Å; G824-L826 VanDerWaalsContact C-N 3.34Å
825F83.7Confident74.6Confident14 Ų1473.5 Ų73.56%0.06138%0.383CS..SBendtrans-76.6-20.9178.7-53.9-62.5000113I712 L731 A734 F738 R755 W758 D759 L762 L827I712-F825 HydrophobicContact CD1-CE2 4.13Å; I712-F825 HydrophobicContact CD1-CZ 4.42Å; L731-F825 HydrophobicContact CD2-CE1 4.27Å; L731-F825 HydrophobicContact CD2-CZ 3.89Å; A734-F825 HydrophobicContact CB-CE1 3.69Å; A734-F825 HydrophobicContact CB-CZ 3.78Å; F738-F825 HydrophobicContact CD2-CB 4.32Å; F738-F825 AromaticContact CD2-CD1 3.81Å; F738-F825 HydrophobicContact CD2-CD1 4.04Å; F738-F825 HydrophobicContact CD2-CE1 4.43Å; F738-F825 HydrophobicContact CD2-CG 4.23Å; F738-F825 HydrophobicContact CE2-CB 3.77Å; F738-F825 AromaticContact CE2-CD1 3.58Å; F738-F825 HydrophobicContact CE2-CD1 3.58Å; F738-F825 AromaticContact CE2-CD2 3.9Å; F738-F825 HydrophobicContact CE2-CD2 3.9Å; F738-F825 AromaticContact CE2-CE1 3.89Å; F738-F825 HydrophobicContact CE2-CE1 4.12Å; F738-F825 HydrophobicContact CE2-CE2 4.39Å; F738-F825 AromaticContact CE2-CG 3.46Å; F738-F825 HydrophobicContact CE2-CG 3.46Å; F738-F825 HydrophobicContact CE2-CZ 4.3Å; F738-F825 HydrophobicContact CZ-CB 4.2Å; F738-F825 HydrophobicContact CZ-CD1 4.42Å; F738-F825 HydrophobicContact CZ-CD2 4.26Å; F738-F825 AromaticContact CZ-CG 3.95Å; F738-F825 HydrophobicContact CZ-CG 4.12Å; R755-F825 HydrophobicContact CB-CB 4.41Å; R755-F825 WeakPolarHBondContact CD-O 3.44Å; R755-F825 HydrophobicContact CG-CB 4.39Å; R755-F825 PolarHBondContact NH1-O 3.3Å; R755-F825 VanDerWaalsContact NH1-O 3.08Å; W758-F825 HydrophobicContact CB-CD2 3.85Å; W758-F825 HydrophobicContact CB-CE2 3.94Å; D759-F825 VanDerWaalsContact OD1-CD2 3.24Å; D759-F825 WeakPolarHBondContact OD1-CD2 3.38Å; D759-F825 PolarHBondContact OD1-N 3.35Å; D759-F825 PolarHBondContact OD2-N 3.21Å; L762-F825 HydrophobicContact CD2-CD2 4.46Å; L762-F825 HydrophobicContact CD2-CE2 3.81Å; L762-F825 HydrophobicContact CD2-CZ 4.06Å; F825-L827 PolarHBondContact O-N 3.14Å; F825-L827 VanDerWaalsContact O-N 3.11Å
826L76.5Confident74.6Confident44.25 Ų44.2573.4 Ų73.423%0.23238%0.382CS..  trans-80.785.6172.1-15675.8000110.7K752 R755 I756 D759 G824 T828 V829K752-L826 HydrophobicContact CG-CD1 4.48Å; R755-L826 HydrophobicContact CB-CD1 4.27Å; I756-L826 HydrophobicContact CG1-CD1 4.5Å; I756-L826 HydrophobicContact CG1-CD2 4.27Å; D759-L826 VanDerWaalsContact OD2-CB 3.25Å; D759-L826 WeakPolarHBondContact OD2-CB 3.2Å; D759-L826 PolarHBondContact OD2-N 2.93Å; D759-L826 VanDerWaalsContact OD2-N 3.12Å; G824-L826 VanDerWaalsContact C-N 3.34Å; L826-T828 PolarHBondContact O-N 3.27Å; L826-V829 HydrophobicContact CB-CG2 4.43Å; L826-V829 HydrophobicContact CD2-CG2 3.68Å; L826-V829 HydrophobicContact CG-CG2 4.25Å
827L64.1Low74.4Confident145.5 Ų145.574 Ų7476%0.76239%0.389SS*.THydrogen-bonded Turntrans-59.8-10.9-174.3-72.6162000115.8F825F825-L827 PolarHBondContact O-N 3.14Å; F825-L827 VanDerWaalsContact O-N 3.11Å
828T57.9Low74.3Confident118.75 Ų118.7577.7 Ų77.773%0.72940%0.403SS*.THydrogen-bonded Turntrans-10310.7-169.539.60000115.7L826L826-T828 PolarHBondContact O-N 3.27Å
829V57.3Low74.3Confident66 Ų6676.3 Ų76.340%0.440%0.396SS..SBendtrans-95.1122.8177.5-166.30000110.3L826 S831 R833L826-V829 HydrophobicContact CB-CG2 4.43Å; L826-V829 HydrophobicContact CD2-CG2 3.68Å; L826-V829 HydrophobicContact CG-CG2 4.25Å; V829-S831 PolarHBondContact O-N 2.83Å; V829-R833 HydrophobicContact CG1-CB 3.8Å
830P56.9Low74.3Confident87.25 Ų87.2577.4 Ų77.457%0.56740%0.403SS*.  trans-55.8139.4169.7-20.230.6000110.3E832 R833P830-E832 PolarHBondContact O-N 3.08Å; P830-R833 PolarHBondContact O-N 3.3Å
831S54Low74.4Confident94.5 Ų94.581 Ų8166%0.66142%0.418SS*.G310 helixtrans-49.6-32.8-175.2-35.70000114V829 R833 S834V829-S831 PolarHBondContact O-N 2.83Å; S831-R833 PolarHBondContact O-N 3.12Å; S831-R833 VanDerWaalsContact O-N 3.15Å; S831-S834 VanDerWaalsContact O-CB 3.31Å; S831-S834 WeakPolarHBondContact O-CB 3.35Å; S831-S834 PolarHBondContact O-N 3.12Å; S831-S834 VanDerWaalsContact O-N 3.14Å
832E53.5Low74.6Confident189.25 Ų189.2581.4 Ų81.488%0.88442%0.416SS*.G310 helixtrans-63.1-19.5177.9-64.8177.7176.600114.5P830P830-E832 PolarHBondContact O-N 3.08Å
833R60.2Low74.7Confident204.5 Ų204.580.6 Ų80.677%0.77241%0.413SS*.G310 helixtrans-114.215.9177.7-66-174.9-179.1-179.30.7112.7V829 P830 S831 I835V829-R833 HydrophobicContact CG1-CB 3.8Å; P830-R833 PolarHBondContact O-N 3.3Å; S831-R833 PolarHBondContact O-N 3.12Å; S831-R833 VanDerWaalsContact O-N 3.15Å; R833-I835 PolarHBondContact O-N 3.16Å
834S70.6Confident75.1Confident19.75 Ų19.7574.9 Ų74.914%0.13840%0.395CS..  trans-60.5125.1176178.90000110.3S831 F836 A837S831-S834 VanDerWaalsContact O-CB 3.31Å; S831-S834 WeakPolarHBondContact O-CB 3.35Å; S831-S834 PolarHBondContact O-N 3.12Å; S831-S834 VanDerWaalsContact O-N 3.14Å; S834-F836 PolarHBondContact O-N 3.14Å; S834-F836 WeakPolarHBondContact OG-CD2 3.31Å; S834-F836 PolarHBondContact OG-N 3.36Å; S834-A837 WeakPolarHBondContact O-CB 3.46Å; S834-A837 PolarHBondContact O-N 3.27Å
835I82.1Confident75.4Confident58.25 Ų58.2581.6 Ų81.630%0.29942%0.419SS..THydrogen-bonded Turntrans-61.7-26.6174.960.1172.5000112D759 M760 L763 R833 K838D759-I835 HydrophobicContact CB-CD1 4.05Å; M760-I835 HydrophobicContact CE-CD1 4.08Å; M760-I835 HydrophobicContact SD-CD1 4.14Å; L763-I835 HydrophobicContact CD2-CD1 4.46Å; R833-I835 PolarHBondContact O-N 3.16Å; I835-K838 PolarHBondContact O-N 3.13Å
836F86.7Confident75.6Confident4.75 Ų4.7584.5 Ų84.52%0.02143%0.43CS..THydrogen-bonded Turntrans-73.9-28-179.3-54.7-75.8000112.5D759 L762 L763 L766 P819 F822 S834 K838 V839D759-F836 HydrophobicContact CB-CZ 4.18Å; L762-F836 HydrophobicContact CB-CE1 4.44Å; L762-F836 HydrophobicContact CD2-CZ 4.42Å; L762-F836 HydrophobicContact CG-CE1 4.28Å; L763-F836 HydrophobicContact CB-CD1 4.24Å; L763-F836 HydrophobicContact CB-CE1 4Å; L763-F836 HydrophobicContact CD1-CB 4.47Å; L763-F836 HydrophobicContact CD1-CD1 3.62Å; L763-F836 HydrophobicContact CD1-CE1 4.23Å; L763-F836 HydrophobicContact CD1-CG 4.34Å; L766-F836 HydrophobicContact CD2-CB 4.11Å; L766-F836 HydrophobicContact CD2-CD1 3.69Å; L766-F836 HydrophobicContact CD2-CG 4.24Å; P819-F836 VanDerWaalsContact CB-O 3.32Å; P819-F836 WeakPolarHBondContact CB-O 3.38Å; P819-F836 CarbonylContact O-C 3.55Å; P819-F836 WeakPolarHBondContact O-CB 3.42Å; F822-F836 HydrophobicContact CB-CB 4.12Å; F822-F836 HydrophobicContact CB-CG 4.35Å; F822-F836 HydrophobicContact CD1-CB 4.4Å; F822-F836 AromaticContact CD1-CD1 3.81Å; F822-F836 HydrophobicContact CD1-CD1 3.81Å; F822-F836 AromaticContact CD1-CD2 3.86Å; F822-F836 HydrophobicContact CD1-CD2 3.86Å; F822-F836 AromaticContact CD1-CE1 3.83Å; F822-F836 HydrophobicContact CD1-CE1 3.98Å; F822-F836 AromaticContact CD1-CE2 3.9Å; F822-F836 HydrophobicContact CD1-CE2 4.06Å; F822-F836 AromaticContact CD1-CG 3.75Å; F822-F836 HydrophobicContact CD1-CG 3.75Å; F822-F836 AromaticContact CD1-CZ 3.93Å; F822-F836 HydrophobicContact CD1-CZ 4.11Å; F822-F836 HydrophobicContact CE1-CD1 4.21Å; F822-F836 AromaticContact CE1-CE1 3.9Å; F822-F836 HydrophobicContact CE1-CE1 3.98Å; F822-F836 HydrophobicContact CE1-CE2 4.36Å; F822-F836 HydrophobicContact CE1-CG 4.47Å; F822-F836 AromaticContact CE1-CZ 3.91Å; F822-F836 HydrophobicContact CE1-CZ 4.14Å; F822-F836 HydrophobicContact CG-CG 4.44Å; S834-F836 PolarHBondContact O-N 3.14Å; S834-F836 WeakPolarHBondContact OG-CD2 3.31Å; S834-F836 PolarHBondContact OG-N 3.36Å; F836-K838 VanDerWaalsContact C-N 3.25Å; F836-K838 PolarHBondContact O-N 3Å; F836-V839 VanDerWaalsContact O-CB 3.26Å; F836-V839 WeakPolarHBondContact O-CB 3.28Å; F836-V839 VanDerWaalsContact O-CG2 3.29Å; F836-V839 WeakPolarHBondContact O-CG2 3.46Å; F836-V839 PolarHBondContact O-N 3.19Å; F836-V839 VanDerWaalsContact O-N 3.11Å
837A84.4Confident76.1Confident26 Ų2683.4 Ų83.422%0.21542%0.424CS..THydrogen-bonded Turntrans-63.8-30.1178.300000112.4I820 S834 V839 V840I820-A837 HydrophobicContact CG1-CB 4.5Å; S834-A837 WeakPolarHBondContact O-CB 3.46Å; S834-A837 PolarHBondContact O-N 3.27Å; A837-V839 PolarHBondContact O-N 3.14Å; A837-V840 WeakPolarHBondContact O-CB 3.29Å; A837-V840 PolarHBondContact O-N 3.19Å; A837-V840 VanDerWaalsContact O-N 3.14Å
838K85Confident77.2Confident125.25 Ų125.2583 Ų8355%0.54542%0.419SS..Hα-helixtrans-62.7-21.9176.3-69.4-175.6176.5-178.40113.6I835 F836 V840 E841 Q842I835-K838 PolarHBondContact O-N 3.13Å; F836-K838 VanDerWaalsContact C-N 3.25Å; F836-K838 PolarHBondContact O-N 3Å; K838-V840 PolarHBondContact O-N 3Å; K838-E841 PolarHBondContact O-N 3.14Å; K838-Q842 WeakPolarHBondContact O-CB 3.43Å; K838-Q842 WeakPolarHBondContact O-CG 3.33Å; K838-Q842 PolarHBondContact O-N 3.05Å; K838-Q842 VanDerWaalsContact O-N 3.12Å
839V87.8Confident78.5Confident0.5 Ų0.583.2 Ų83.20%0.00341%0.411CS..Hα-helixtrans-60.4-35.7176.2178.40000110.7L763 E767 Y770 P819 F836 A837 N843L763-V839 HydrophobicContact CD1-CG2 3.43Å; L763-V839 VanDerWaalsContact CD1-CG2 3.45Å; L763-V839 HydrophobicContact CG-CG2 4.44Å; E767-V839 HydrophobicContact CB-CG1 4.09Å; E767-V839 HydrophobicContact CB-CG2 4.38Å; E767-V839 HydrophobicContact CG-CG1 4.13Å; Y770-V839 HydrophobicContact CD1-CG1 3.68Å; Y770-V839 HydrophobicContact CE1-CG1 4.25Å; Y770-V839 HydrophobicContact CG-CG1 4.25Å; P819-V839 HydrophobicContact CB-CB 4.2Å; P819-V839 HydrophobicContact CG-CG1 4.46Å; F836-V839 VanDerWaalsContact O-CB 3.26Å; F836-V839 WeakPolarHBondContact O-CB 3.28Å; F836-V839 VanDerWaalsContact O-CG2 3.29Å; F836-V839 WeakPolarHBondContact O-CG2 3.46Å; F836-V839 PolarHBondContact O-N 3.19Å; F836-V839 VanDerWaalsContact O-N 3.11Å; A837-V839 PolarHBondContact O-N 3.14Å; V839-N843 WeakPolarHBondContact O-CB 3.42Å; V839-N843 PolarHBondContact O-N 3.13Å; V839-N843 VanDerWaalsContact O-N 3.11Å; V839-N843 PolarHBondContact O-ND2 3.01Å
840V87.1Confident79.9Confident23.25 Ų23.2580.2 Ų80.214%0.14139%0.393CS..Hα-helixtrans-67.5-43.6178-1760000110.8I816 P819 I820 A837 K838 Q842 N843 S844 I847I816-V840 HydrophobicContact CG2-CG1 4.16Å; P819-V840 HydrophobicContact CB-CG2 3.97Å; P819-V840 HydrophobicContact CG-CG2 4.08Å; I820-V840 HydrophobicContact CD1-CG2 4.29Å; I820-V840 HydrophobicContact CG1-CG2 3.82Å; A837-V840 WeakPolarHBondContact O-CB 3.29Å; A837-V840 PolarHBondContact O-N 3.19Å; A837-V840 VanDerWaalsContact O-N 3.14Å; K838-V840 PolarHBondContact O-N 3Å; V840-Q842 VanDerWaalsContact C-N 3.33Å; V840-Q842 PolarHBondContact O-N 3.12Å; V840-N843 PolarHBondContact O-N 3.3Å; V840-S844 PolarHBondContact O-N 3.09Å; V840-I847 HydrophobicContact CG1-CD1 3.83Å
841E84.6Confident81.3Confident144.75 Ų144.7579.8 Ų79.868%0.67638%0.381SS*.Hα-helixtrans-62.9-42.9178.1-63.3179.7168.200111.8K838 N843 S844K838-E841 PolarHBondContact O-N 3.14Å; E841-N843 VanDerWaalsContact C-N 3.33Å; E841-N843 PolarHBondContact O-N 3.18Å; E841-S844 WeakPolarHBondContact O-CB 3.36Å; E841-S844 PolarHBondContact O-N 3.09Å; E841-S844 PolarHBondContact O-OG 3.05Å
842Q87.3Confident82.9Confident125.25 Ų125.2576.7 Ų76.759%0.58536%0.364SS*.Hα-helixtrans-68.8-29.7-179.1-72174.8-17.400113.2K838 V840K838-Q842 WeakPolarHBondContact O-CB 3.43Å; K838-Q842 WeakPolarHBondContact O-CG 3.33Å; K838-Q842 PolarHBondContact O-N 3.05Å; K838-Q842 VanDerWaalsContact O-N 3.12Å; V840-Q842 VanDerWaalsContact C-N 3.33Å; V840-Q842 PolarHBondContact O-N 3.12Å
843N88.6Confident84.3Confident8 Ų872.5 Ų72.54%0.04334%0.343CS..THydrogen-bonded Turntrans-101.817.4-178.2-67.2-79.6000113.2E767 Y770 Q771 L774 V839 V840 E841 K845 R846 I847E767-N843 PolarHBondContact OE1-ND2 2.99Å; E767-N843 VanDerWaalsContact OE1-ND2 3.13Å; Y770-N843 HydrophobicContact CD1-CB 4.37Å; Y770-N843 HydrophobicContact CE1-CB 4.08Å; Q771-N843 WeakPolarHBondContact CG-OD1 3.38Å; Q771-N843 PolarHBondContact NE2-OD1 3.11Å; L774-N843 HydrophobicContact CD1-CB 4.27Å; V839-N843 WeakPolarHBondContact O-CB 3.42Å; V839-N843 PolarHBondContact O-N 3.13Å; V839-N843 VanDerWaalsContact O-N 3.11Å; V839-N843 PolarHBondContact O-ND2 3.01Å; V840-N843 PolarHBondContact O-N 3.3Å; E841-N843 VanDerWaalsContact C-N 3.33Å; E841-N843 PolarHBondContact O-N 3.18Å; N843-K845 VanDerWaalsContact C-N 3.31Å; N843-K845 PolarHBondContact O-N 3.29Å; N843-R846 PolarHBondContact O-N 3.09Å; N843-I847 PolarHBondContact O-N 3.09Å; N843-I847 VanDerWaalsContact O-N 3.16Å
844S87Confident85.5Confident55.5 Ų55.563.2 Ų63.239%0.38831%0.308SS..Hα-helixtrans-50.3-43.5180500000114.1V840 E841 R846 I847 E848V840-S844 PolarHBondContact O-N 3.09Å; E841-S844 WeakPolarHBondContact O-CB 3.36Å; E841-S844 PolarHBondContact O-N 3.09Å; E841-S844 PolarHBondContact O-OG 3.05Å; S844-R846 VanDerWaalsContact C-N 3.35Å; S844-R846 PolarHBondContact O-N 3.18Å; S844-I847 WeakPolarHBondContact O-CB 3.44Å; S844-I847 PolarHBondContact O-N 3.13Å; S844-I847 VanDerWaalsContact O-N 3.15Å; S844-E848 WeakPolarHBondContact O-CG 3.47Å; S844-E848 PolarHBondContact O-N 3.2Å; S844-E848 VanDerWaalsContact O-N 3.09Å
845K88.7Confident86.2Confident158 Ų15865.7 Ų65.769%0.68732%0.32SS*.Hα-helixtrans-59.2-40.8177-67.6-175.4178.4-177.50113.5N843 I847 E848 E849N843-K845 VanDerWaalsContact C-N 3.31Å; N843-K845 PolarHBondContact O-N 3.29Å; K845-I847 VanDerWaalsContact C-N 3.31Å; K845-I847 PolarHBondContact O-N 3.19Å; K845-E848 WeakPolarHBondContact O-CB 3.35Å; K845-E848 PolarHBondContact O-N 3.15Å; K845-E849 WeakPolarHBondContact O-CG 3.42Å; K845-E849 PolarHBondContact O-N 3.02Å; K845-E849 VanDerWaalsContact O-N 3.13Å
846R87.2Confident86.3Confident74.25 Ų74.2567.5 Ų67.528%0.2833%0.33SS..Hα-helixtrans-70.6-30.8178.5-68.1176176.6-129.2-2111.6L774 E775 N843 S844 E849 A850L774-R846 HydrophobicContact CB-CB 4.29Å; L774-R846 HydrophobicContact CD1-CB 3.97Å; E775-R846 IonicContact OE1-CZ 3.09Å; E775-R846 IonicContact OE1-NE 3.87Å; E775-R846 IonicContact OE1-NH1 3.19Å; E775-R846 PolarHBondContact OE1-NH1 3.4Å; E775-R846 IonicContact OE1-NH2 3.66Å; E775-R846 PolarHBondContact OE1-NH2 2.83Å; N843-R846 PolarHBondContact O-N 3.09Å; S844-R846 VanDerWaalsContact C-N 3.35Å; S844-R846 PolarHBondContact O-N 3.18Å; R846-E849 PolarHBondContact O-N 3.01Å; R846-A850 WeakPolarHBondContact O-CB 3.35Å; R846-A850 PolarHBondContact O-N 3.03Å; R846-A850 VanDerWaalsContact O-N 3.1Å
847I87.1Confident86.2Confident21.5 Ų21.567.8 Ų67.811%0.1133%0.332CS..Hα-helixtrans-66.1-44.5172.5-62.2169.8000109.7Y770 L774 I816 V840 N843 S844 K845 E849 A850 Y851Y770-I847 WeakPolarHBondContact OH-CD1 3.05Å; L774-I847 HydrophobicContact CD1-CG1 3.83Å; L774-I847 HydrophobicContact CD2-CG1 4.09Å; I816-I847 HydrophobicContact CD1-CG2 3.8Å; I816-I847 HydrophobicContact CG1-CG2 4.46Å; I816-I847 HydrophobicContact CG2-CD1 4.15Å; V840-I847 HydrophobicContact CG1-CD1 3.83Å; N843-I847 PolarHBondContact O-N 3.09Å; N843-I847 VanDerWaalsContact O-N 3.16Å; S844-I847 WeakPolarHBondContact O-CB 3.44Å; S844-I847 PolarHBondContact O-N 3.13Å; S844-I847 VanDerWaalsContact O-N 3.15Å; K845-I847 VanDerWaalsContact C-N 3.31Å; K845-I847 PolarHBondContact O-N 3.19Å; I847-E849 VanDerWaalsContact C-N 3.34Å; I847-E849 PolarHBondContact O-N 3.21Å; I847-A850 PolarHBondContact O-N 3.17Å; I847-Y851 HydrophobicContact CG2-CD2 3.78Å; I847-Y851 HydrophobicContact CG2-CE2 3.7Å; I847-Y851 VanDerWaalsContact O-CD2 3.29Å; I847-Y851 WeakPolarHBondContact O-CD2 3.34Å; I847-Y851 PolarHBondContact O-N 3.19Å; I847-Y851 VanDerWaalsContact O-N 3.09Å
848E86.6Confident86.2Confident138.75 Ų138.7566.7 Ų66.765%0.64832%0.322SS*.Hα-helixtrans-58.6-43.8173.8-69.9176.3179.300111.9S844 K845 A850 Y851 G852S844-E848 WeakPolarHBondContact O-CG 3.47Å; S844-E848 PolarHBondContact O-N 3.2Å; S844-E848 VanDerWaalsContact O-N 3.09Å; K845-E848 WeakPolarHBondContact O-CB 3.35Å; K845-E848 PolarHBondContact O-N 3.15Å; E848-A850 VanDerWaalsContact C-N 3.35Å; E848-A850 PolarHBondContact O-N 3.2Å; E848-Y851 CarbonylContact O-C 3.05Å; E848-Y851 PolarHBondContact O-N 3.23Å; E848-G852 PolarHBondContact O-N 3.12Å
849E86.7Confident86.2Confident121.5 Ų121.566.7 Ų66.757%0.56832%0.322SS*.Hα-helixtrans-61.6-40.7174.9-71.7171.1-172.600112.5K845 R846 I847 G852 K853K845-E849 WeakPolarHBondContact O-CG 3.42Å; K845-E849 PolarHBondContact O-N 3.02Å; K845-E849 VanDerWaalsContact O-N 3.13Å; R846-E849 PolarHBondContact O-N 3.01Å; I847-E849 VanDerWaalsContact C-N 3.34Å; I847-E849 PolarHBondContact O-N 3.21Å; E849-G852 PolarHBondContact O-N 3.14Å; E849-K853 WeakPolarHBondContact O-CG 3.35Å; E849-K853 PolarHBondContact O-N 3.16Å
850A85.9Confident86Confident3.25 Ų3.2571.4 Ų71.43%0.02734%0.344CS..Hα-helixtrans-64.3-41.9176.900000111.9L777 N778 M812 R846 I847 E848 G852 K853 M854L777-A850 HydrophobicContact CD2-CB 4.34Å; N778-A850 PolarHBondContact ND2-O 3.35Å; N778-A850 VanDerWaalsContact ND2-O 3.09Å; M812-A850 HydrophobicContact CE-CB 3.82Å; R846-A850 WeakPolarHBondContact O-CB 3.35Å; R846-A850 PolarHBondContact O-N 3.03Å; R846-A850 VanDerWaalsContact O-N 3.1Å; I847-A850 PolarHBondContact O-N 3.17Å; E848-A850 VanDerWaalsContact C-N 3.35Å; E848-A850 PolarHBondContact O-N 3.2Å; A850-G852 VanDerWaalsContact C-N 3.35Å; A850-K853 PolarHBondContact O-N 3.29Å; A850-M854 PolarHBondContact O-N 3.16Å; A850-M854 VanDerWaalsContact O-N 3.1Å
851Y86.3Confident85.9Confident78.75 Ų78.7570.3 Ų70.331%0.30934%0.337SS..Hα-helixtrans-68.1-33.2172.5-82.8-72.7000112.6M812 I816 I847 E848 M854 N855M812-Y851 HydrophobicContact CE-CD1 4.07Å; M812-Y851 HydrophobicContact CE-CD2 4.28Å; M812-Y851 HydrophobicContact CE-CE1 4.21Å; M812-Y851 HydrophobicContact CE-CE2 4.36Å; M812-Y851 HydrophobicContact CE-CG 4.11Å; M812-Y851 HydrophobicContact SD-CD1 4.31Å; M812-Y851 HydrophobicContact SD-CE1 4.24Å; I816-Y851 HydrophobicContact CD1-CE2 3.77Å; I847-Y851 HydrophobicContact CG2-CD2 3.78Å; I847-Y851 HydrophobicContact CG2-CE2 3.7Å; I847-Y851 VanDerWaalsContact O-CD2 3.29Å; I847-Y851 WeakPolarHBondContact O-CD2 3.34Å; I847-Y851 PolarHBondContact O-N 3.19Å; I847-Y851 VanDerWaalsContact O-N 3.09Å; E848-Y851 CarbonylContact O-C 3.05Å; E848-Y851 PolarHBondContact O-N 3.23Å; Y851-M854 HydrophobicContact CD1-CE 4.05Å; Y851-M854 HydrophobicContact CD1-SD 4.17Å; Y851-M854 HydrophobicContact CE1-CE 4.48Å; Y851-M854 HydrophobicContact CE1-SD 4.41Å; Y851-M854 WeakPolarHBondContact O-CB 3.4Å; Y851-M854 PolarHBondContact O-N 3.24Å; Y851-N855 VanDerWaalsContact O-CG 3.3Å; Y851-N855 PolarHBondContact O-N 3.23Å; Y851-N855 VanDerWaalsContact O-N 3.17Å; Y851-N855 PolarHBondContact O-ND2 3.22Å
852G86.9Confident85.8Confident28.75 Ų28.7568.5 Ų68.530%0.29633%0.328SS..Hα-helixtrans-59.2-52.2171.700000111.5E848 E849 A850 M854 N855 D856E848-G852 PolarHBondContact O-N 3.12Å; E849-G852 PolarHBondContact O-N 3.14Å; A850-G852 VanDerWaalsContact C-N 3.35Å; G852-M854 VanDerWaalsContact C-N 3.29Å; G852-M854 PolarHBondContact O-N 3.06Å; G852-N855 CarbonylContact O-C 3.5Å; G852-N855 WeakPolarHBondContact O-CA 3.36Å; G852-N855 WeakPolarHBondContact O-CB 3.32Å; G852-N855 PolarHBondContact O-N 3.11Å; G852-N855 VanDerWaalsContact O-N 3.08Å; G852-D856 PolarHBondContact O-N 3.11Å
853K84.2Confident85.6Confident102.25 Ų102.2567.2 Ų67.245%0.44533%0.326SS..Hα-helixtrans-61.3-34175.2-69.8-179.7-176.6-179.70112.9E775 N778 E849 A850 D856 F857E775-K853 PolarHBondContact O-NZ 2.93Å; E775-K853 VanDerWaalsContact O-NZ 3.11Å; N778-K853 VanDerWaalsContact ND2-C 3.27Å; N778-K853 WeakPolarHBondContact ND2-CB 3.42Å; N778-K853 PolarHBondContact ND2-O 3.22Å; E849-K853 WeakPolarHBondContact O-CG 3.35Å; E849-K853 PolarHBondContact O-N 3.16Å; A850-K853 PolarHBondContact O-N 3.29Å; K853-D856 PolarHBondContact O-N 3.23Å; K853-F857 WeakPolarHBondContact O-CB 3.31Å; K853-F857 PolarHBondContact O-N 3.18Å; K853-F857 VanDerWaalsContact O-N 3.15Å
854M84Confident85.2Confident9.25 Ų9.2568.6 Ų68.65%0.04633%0.334CS..Hα-helixtrans-61.8-46172.3-179.5-163.582.100110.7N778 R805 Y808 A809 M812 A850 Y851 G852 D856 F857 F858N778-M854 PolarHBondContact ND2-N 2.9Å; R805-M854 HydrophobicContact CG-CE 4.26Å; Y808-M854 HydrophobicContact CD1-CB 4.44Å; Y808-M854 HydrophobicContact CD1-CG 3.61Å; Y808-M854 HydrophobicContact CD1-SD 3.86Å; Y808-M854 HydrophobicContact CE1-CB 4.17Å; Y808-M854 HydrophobicContact CE1-CG 3.78Å; Y808-M854 HydrophobicContact CE1-SD 4.38Å; A809-M854 HydrophobicContact CB-SD 4.48Å; M812-M854 HydrophobicContact SD-CB 4.05Å; M812-M854 HydrophobicContact SD-CG 4.14Å; M812-M854 HydrophobicContact SD-SD 3.72Å; M812-M854 VanDerWaalsContact SD-SD 3.66Å; A850-M854 PolarHBondContact O-N 3.16Å; A850-M854 VanDerWaalsContact O-N 3.1Å; Y851-M854 HydrophobicContact CD1-CE 4.05Å; Y851-M854 HydrophobicContact CD1-SD 4.17Å; Y851-M854 HydrophobicContact CE1-CE 4.48Å; Y851-M854 HydrophobicContact CE1-SD 4.41Å; Y851-M854 WeakPolarHBondContact O-CB 3.4Å; Y851-M854 PolarHBondContact O-N 3.24Å; G852-M854 VanDerWaalsContact C-N 3.29Å; G852-M854 PolarHBondContact O-N 3.06Å; M854-D856 VanDerWaalsContact C-N 3.34Å; M854-D856 PolarHBondContact O-N 3.1Å; M854-F857 WeakPolarHBondContact O-CB 3.34Å; M854-F857 PolarHBondContact O-N 3.11Å; M854-F858 HydrophobicContact CG-CD2 3.88Å; M854-F858 HydrophobicContact CG-CE2 3.9Å; M854-F858 VanDerWaalsContact O-CD2 3.31Å; M854-F858 WeakPolarHBondContact O-CD2 3.39Å; M854-F858 PolarHBondContact O-N 3.2Å; M854-F858 VanDerWaalsContact O-N 3.11Å; M854-F858 HydrophobicContact SD-CE2 4.48Å
855N85.6Confident84.8Confident71.5 Ų71.566.6 Ų66.638%0.38232%0.319SS..Hα-helixtrans-64.6-38.9178.6-70.5-31.8000112R805 Y851 G852 F857 F858 K859R805-N855 PolarHBondContact NH2-OD1 3.18Å; R805-N855 VanDerWaalsContact NH2-OD1 3.16Å; Y851-N855 VanDerWaalsContact O-CG 3.3Å; Y851-N855 PolarHBondContact O-N 3.23Å; Y851-N855 VanDerWaalsContact O-N 3.17Å; Y851-N855 PolarHBondContact O-ND2 3.22Å; G852-N855 CarbonylContact O-C 3.5Å; G852-N855 WeakPolarHBondContact O-CA 3.36Å; G852-N855 WeakPolarHBondContact O-CB 3.32Å; G852-N855 PolarHBondContact O-N 3.11Å; G852-N855 VanDerWaalsContact O-N 3.08Å; N855-F857 VanDerWaalsContact C-N 3.33Å; N855-F857 PolarHBondContact O-N 3.26Å; N855-F858 PolarHBondContact O-N 3.17Å; N855-K859 VanDerWaalsContact O-CB 3.26Å; N855-K859 WeakPolarHBondContact O-CB 3.45Å; N855-K859 PolarHBondContact O-N 3.08Å
856D85.1Confident84.4Confident96.5 Ų96.562.8 Ų62.852%0.51630%0.304SS..Hα-helixtrans-62.9-40.3174.3-67.8-26.2000111.7G852 K853 M854 K859 Q860G852-D856 PolarHBondContact O-N 3.11Å; K853-D856 PolarHBondContact O-N 3.23Å; M854-D856 VanDerWaalsContact C-N 3.34Å; M854-D856 PolarHBondContact O-N 3.1Å; D856-K859 PolarHBondContact O-N 3.18Å; D856-Q860 WeakPolarHBondContact O-CB 3.35Å; D856-Q860 VanDerWaalsContact O-CG 3.3Å; D856-Q860 WeakPolarHBondContact O-CG 3.3Å; D856-Q860 PolarHBondContact O-N 3.21Å; D856-Q860 VanDerWaalsContact O-N 3.14Å
857F83.1Confident84.1Confident12 Ų1264.3 Ų64.35%0.05331%0.314CS..Hα-helixtrans-61.1-50.7173.6169.7-54.4000111.4Y808 K853 M854 N855 K859 Q860 L861 V925 C926 S927 M928Y808-F857 HydrophobicContact CD2-CE1 4.49Å; Y808-F857 HydrophobicContact CE2-CD2 4.31Å; Y808-F857 HydrophobicContact CE2-CE1 4.45Å; Y808-F857 AromaticContact CE2-CE2 3.95Å; Y808-F857 HydrophobicContact CE2-CE2 4.03Å; K853-F857 WeakPolarHBondContact O-CB 3.31Å; K853-F857 PolarHBondContact O-N 3.18Å; K853-F857 VanDerWaalsContact O-N 3.15Å; M854-F857 WeakPolarHBondContact O-CB 3.34Å; M854-F857 PolarHBondContact O-N 3.11Å; N855-F857 VanDerWaalsContact C-N 3.33Å; N855-F857 PolarHBondContact O-N 3.26Å; F857-K859 VanDerWaalsContact C-N 3.29Å; F857-K859 PolarHBondContact O-N 3.11Å; F857-Q860 WeakPolarHBondContact O-CA 3.3Å; F857-Q860 WeakPolarHBondContact O-CB 3.15Å; F857-Q860 PolarHBondContact O-N 3.3Å; F857-L861 WeakPolarHBondContact O-CB 3.22Å; F857-L861 PolarHBondContact O-N 3.12Å; F857-V925 HydrophobicContact CD1-CG1 4.3Å; F857-V925 HydrophobicContact CE1-CB 4.3Å; F857-V925 HydrophobicContact CE1-CG1 3.9Å; F857-V925 VanDerWaalsContact CE1-O 3.27Å; F857-V925 WeakPolarHBondContact CE1-O 3.42Å; F857-V925 HydrophobicContact CE2-CG1 4.28Å; F857-V925 WeakPolarHBondContact CE2-O 3.33Å; F857-V925 WeakPolarHBondContact CZ-O 3.34Å; F857-C926 HydrophobicContact CD1-CB 4.24Å; F857-C926 HydrophobicContact CD2-CB 3.91Å; F857-C926 HydrophobicContact CE1-CB 3.93Å; F857-C926 HydrophobicContact CE2-CB 3.95Å; F857-C926 HydrophobicContact CG-CB 4.41Å; F857-C926 HydrophobicContact CZ-CB 3.75Å; F857-S927 WeakPolarHBondContact CE2-OG 3.39Å; F857-M928 HydrophobicContact CE1-CB 4.3Å; F857-M928 HydrophobicContact CE1-CE 4.06Å; F857-M928 HydrophobicContact CE1-CG 4.23Å; F857-M928 HydrophobicContact CE1-SD 3.76Å; F857-M928 HydrophobicContact CE2-CB 4.33Å; F857-M928 HydrophobicContact CE2-CE 3.95Å; F857-M928 HydrophobicContact CE2-CG 4.49Å; F857-M928 HydrophobicContact CE2-SD 4.49Å; F857-M928 HydrophobicContact CZ-CB 3.98Å; F857-M928 HydrophobicContact CZ-CE 3.85Å; F857-M928 HydrophobicContact CZ-CG 3.59Å; F857-M928 HydrophobicContact CZ-SD 3.59Å; F857-M928 VanDerWaalsContact CZ-SD 3.52Å
858F85.5Confident83.5Confident2.25 Ų2.2565.3 Ų65.31%0.0132%0.317CS..Hα-helixtrans-64.9-30178.6-83.1-80.1000112.7E801 L804 R805 Y808 M854 N855 L861 E862 M928E801-F858 HydrophobicContact CG-CD1 4.07Å; E801-F858 HydrophobicContact CG-CE1 4.43Å; L804-F858 HydrophobicContact CB-CE1 4.18Å; L804-F858 HydrophobicContact CB-CZ 4.42Å; R805-F858 VanDerWaalsContact CA-CZ 3.43Å; R805-F858 HydrophobicContact CB-CD1 4.25Å; R805-F858 HydrophobicContact CB-CE1 3.89Å; R805-F858 HydrophobicContact CB-CE2 4.21Å; R805-F858 HydrophobicContact CB-CZ 3.81Å; R805-F858 HydrophobicContact CG-CD1 4.45Å; R805-F858 HydrophobicContact CG-CD2 4.18Å; R805-F858 HydrophobicContact CG-CE1 4.39Å; R805-F858 HydrophobicContact CG-CE2 4Å; R805-F858 HydrophobicContact CG-CG 4.45Å; R805-F858 HydrophobicContact CG-CZ 4.13Å; Y808-F858 HydrophobicContact CD1-CE2 4.42Å; Y808-F858 HydrophobicContact CG-CE2 4.26Å; M854-F858 HydrophobicContact CG-CD2 3.88Å; M854-F858 HydrophobicContact CG-CE2 3.9Å; M854-F858 VanDerWaalsContact O-CD2 3.31Å; M854-F858 WeakPolarHBondContact O-CD2 3.39Å; M854-F858 PolarHBondContact O-N 3.2Å; M854-F858 VanDerWaalsContact O-N 3.11Å; M854-F858 HydrophobicContact SD-CE2 4.48Å; N855-F858 PolarHBondContact O-N 3.17Å; F858-L861 HydrophobicContact CD1-CD2 4.03Å; F858-L861 HydrophobicContact CE1-CD2 4.27Å; F858-L861 WeakPolarHBondContact O-CB 3.4Å; F858-L861 PolarHBondContact O-N 3.15Å; F858-E862 WeakPolarHBondContact O-CB 3.31Å; F858-E862 PolarHBondContact O-N 3.08Å; F858-M928 HydrophobicContact CE1-CE 3.85Å; F858-M928 HydrophobicContact CE2-CE 4.2Å; F858-M928 HydrophobicContact CZ-CE 3.51Å; F858-M928 VanDerWaalsContact CZ-CE 3.45Å
859K85.5Confident82.9Confident125.5 Ų125.563.1 Ų63.155%0.54631%0.305SS..Hα-helixtrans-67.7-42172.2-170.9177179.2-178.40112.3N855 D856 F857 L861 E862 D863N855-K859 VanDerWaalsContact O-CB 3.26Å; N855-K859 WeakPolarHBondContact O-CB 3.45Å; N855-K859 PolarHBondContact O-N 3.08Å; D856-K859 PolarHBondContact O-N 3.18Å; F857-K859 VanDerWaalsContact C-N 3.29Å; F857-K859 PolarHBondContact O-N 3.11Å; K859-L861 VanDerWaalsContact C-N 3.3Å; K859-L861 PolarHBondContact O-N 3.25Å; K859-E862 CarbonylContact O-C 3.56Å; K859-E862 WeakPolarHBondContact O-CB 3.31Å; K859-E862 PolarHBondContact O-N 2.95Å; K859-D863 WeakPolarHBondContact O-CB 3.36Å; K859-D863 VanDerWaalsContact O-CG 3.27Å; K859-D863 PolarHBondContact O-N 3.02Å
860Q83.8Confident82.2Confident98.75 Ų98.7563.2 Ų63.246%0.46130%0.304SS..Hα-helixtrans-63.1-38.1172.5-71.8176.39.600111.8D856 F857 D863 V864 V925D856-Q860 WeakPolarHBondContact O-CB 3.35Å; D856-Q860 VanDerWaalsContact O-CG 3.3Å; D856-Q860 WeakPolarHBondContact O-CG 3.3Å; D856-Q860 PolarHBondContact O-N 3.21Å; D856-Q860 VanDerWaalsContact O-N 3.14Å; F857-Q860 WeakPolarHBondContact O-CA 3.3Å; F857-Q860 WeakPolarHBondContact O-CB 3.15Å; F857-Q860 PolarHBondContact O-N 3.3Å; Q860-D863 PolarHBondContact O-N 2.95Å; Q860-V864 WeakPolarHBondContact O-CB 3.38Å; Q860-V864 VanDerWaalsContact O-CG2 3.26Å; Q860-V864 WeakPolarHBondContact O-CG2 3.4Å; Q860-V864 PolarHBondContact O-N 3.28Å; Q860-V925 HydrophobicContact CB-CG1 4.46Å
861L83.3Confident81.4Confident0.25 Ų0.2567.2 Ų67.20%0.00132%0.322CS..Hα-helixtrans-61.7-46.5172.9-17778000110.8L797 E801 L804 F857 F858 K859 D863 V864 L865 V925 M928 I930L797-L861 HydrophobicContact CD2-CD2 4.28Å; E801-L861 HydrophobicContact CG-CD2 4.41Å; L804-L861 HydrophobicContact CD1-CD2 4.5Å; F857-L861 WeakPolarHBondContact O-CB 3.22Å; F857-L861 PolarHBondContact O-N 3.12Å; F858-L861 HydrophobicContact CD1-CD2 4.03Å; F858-L861 HydrophobicContact CE1-CD2 4.27Å; F858-L861 WeakPolarHBondContact O-CB 3.4Å; F858-L861 PolarHBondContact O-N 3.15Å; K859-L861 VanDerWaalsContact C-N 3.3Å; K859-L861 PolarHBondContact O-N 3.25Å; L861-D863 PolarHBondContact O-N 3.48Å; L861-V864 PolarHBondContact O-N 3.12Å; L861-L865 HydrophobicContact CD1-CD1 4.29Å; L861-L865 HydrophobicContact CD1-CG 4.35Å; L861-L865 HydrophobicContact CD2-CD1 3.92Å; L861-L865 HydrophobicContact CG-CD1 3.89Å; L861-L865 HydrophobicContact CG-CG 4.37Å; L861-L865 VanDerWaalsContact O-CB 3.3Å; L861-L865 WeakPolarHBondContact O-CB 3.31Å; L861-L865 VanDerWaalsContact O-CG 3.24Å; L861-L865 WeakPolarHBondContact O-CG 3.34Å; L861-L865 PolarHBondContact O-N 3.15Å; L861-V925 HydrophobicContact CD1-CB 4.15Å; L861-V925 HydrophobicContact CD1-CG1 4.27Å; L861-V925 HydrophobicContact CD1-CG2 4.39Å; L861-M928 HydrophobicContact CD1-CE 3.29Å; L861-M928 HydrophobicContact CD1-CG 4.49Å; L861-M928 HydrophobicContact CD2-CE 3.35Å; L861-M928 HydrophobicContact CD2-SD 3.85Å; L861-M928 HydrophobicContact CG-CE 3.92Å; L861-I930 HydrophobicContact CD1-CD1 3.69Å; L861-I930 VanDerWaalsContact CD1-CD1 3.44Å
862E82.9Confident80.5Confident106.25 Ų106.2563.9 Ų63.950%0.49631%0.309SS..Hα-helixtrans-59.3-45.9176.8-170.1178.5-172.600111.3F858 K859 V864 L865 E866F858-E862 WeakPolarHBondContact O-CB 3.31Å; F858-E862 PolarHBondContact O-N 3.08Å; K859-E862 CarbonylContact O-C 3.56Å; K859-E862 WeakPolarHBondContact O-CB 3.31Å; K859-E862 PolarHBondContact O-N 2.95Å; E862-V864 PolarHBondContact O-N 3.08Å; E862-L865 PolarHBondContact O-N 3.01Å; E862-E866 WeakPolarHBondContact O-CA 3.33Å; E862-E866 VanDerWaalsContact O-CB 3.3Å; E862-E866 WeakPolarHBondContact O-CB 3.3Å; E862-E866 PolarHBondContact O-N 3.17Å
863D83.1Confident79.4Confident98 Ų9867.7 Ų67.752%0.52432%0.32SS..Hα-helixtrans-61.2-44.3177.8-72.7-28.1000112K859 Q860 L861 E866 Q867K859-D863 WeakPolarHBondContact O-CB 3.36Å; K859-D863 VanDerWaalsContact O-CG 3.27Å; K859-D863 PolarHBondContact O-N 3.02Å; Q860-D863 PolarHBondContact O-N 2.95Å; L861-D863 PolarHBondContact O-N 3.48Å; D863-E866 PolarHBondContact O-N 2.94Å; D863-Q867 WeakPolarHBondContact O-CB 3.21Å; D863-Q867 PolarHBondContact O-N 3.16Å; D863-Q867 VanDerWaalsContact O-N 3.11Å
864V80.9Confident78.5Confident37 Ų3769.9 Ų69.922%0.22433%0.327CS..Hα-helixtrans-66.1-44.9176.7171.70000110.6Q860 L861 E862 E866 Q867 Y868 I923 V925Q860-V864 WeakPolarHBondContact O-CB 3.38Å; Q860-V864 VanDerWaalsContact O-CG2 3.26Å; Q860-V864 WeakPolarHBondContact O-CG2 3.4Å; Q860-V864 PolarHBondContact O-N 3.28Å; L861-V864 PolarHBondContact O-N 3.12Å; E862-V864 PolarHBondContact O-N 3.08Å; V864-E866 VanDerWaalsContact C-N 3.31Å; V864-E866 PolarHBondContact O-N 3Å; V864-Q867 PolarHBondContact O-N 3.05Å; V864-Y868 HydrophobicContact CG1-CD2 3.86Å; V864-Y868 HydrophobicContact CG1-CE2 3.99Å; V864-Y868 VanDerWaalsContact O-CD2 3.31Å; V864-Y868 WeakPolarHBondContact O-CD2 3.29Å; V864-Y868 PolarHBondContact O-N 3.28Å; V864-Y868 VanDerWaalsContact O-N 3.13Å; V864-I923 HydrophobicContact CG1-CG2 4.39Å; V864-V925 HydrophobicContact CB-CG2 4.26Å; V864-V925 HydrophobicContact CG1-CG2 4.15Å; V864-V925 HydrophobicContact CG2-CG2 4.35Å
865L79.4Confident77.5Confident13.5 Ų13.571.5 Ų71.57%0.07134%0.336CS..Hα-helixtrans-62.9-38.9177.3-71.8173000111.8L788 L797 L861 E862 Q867 Y868 K869 I930L788-L865 HydrophobicContact CD1-CD2 4.44Å; L788-L865 HydrophobicContact CD2-CD2 3.63Å; L797-L865 HydrophobicContact CB-CD2 4.38Å; L797-L865 HydrophobicContact CD1-CD2 4.28Å; L797-L865 HydrophobicContact CD2-CD1 4.06Å; L797-L865 HydrophobicContact CD2-CD2 4.4Å; L861-L865 HydrophobicContact CD1-CD1 4.29Å; L861-L865 HydrophobicContact CD1-CG 4.35Å; L861-L865 HydrophobicContact CD2-CD1 3.92Å; L861-L865 HydrophobicContact CG-CD1 3.89Å; L861-L865 HydrophobicContact CG-CG 4.37Å; L861-L865 VanDerWaalsContact O-CB 3.3Å; L861-L865 WeakPolarHBondContact O-CB 3.31Å; L861-L865 VanDerWaalsContact O-CG 3.24Å; L861-L865 WeakPolarHBondContact O-CG 3.34Å; L861-L865 PolarHBondContact O-N 3.15Å; E862-L865 PolarHBondContact O-N 3.01Å; L865-Q867 VanDerWaalsContact C-N 3.35Å; L865-Y868 PolarHBondContact O-N 3.12Å; L865-K869 VanDerWaalsContact O-CB 3.29Å; L865-K869 WeakPolarHBondContact O-CB 3.25Å; L865-K869 VanDerWaalsContact O-CG 3.27Å; L865-K869 WeakPolarHBondContact O-CG 3.27Å; L865-K869 PolarHBondContact O-N 3.17Å; L865-I930 HydrophobicContact CD2-CD1 4.3Å
866E80.4Confident76.3Confident79.25 Ų79.2568.7 Ų68.737%0.3732%0.32SS..Hα-helixtrans-68.6-37.9177.4-16960.8-158.200111.4E862 D863 V864 K869 K870E862-E866 WeakPolarHBondContact O-CA 3.33Å; E862-E866 VanDerWaalsContact O-CB 3.3Å; E862-E866 WeakPolarHBondContact O-CB 3.3Å; E862-E866 PolarHBondContact O-N 3.17Å; D863-E866 PolarHBondContact O-N 2.94Å; V864-E866 VanDerWaalsContact C-N 3.31Å; V864-E866 PolarHBondContact O-N 3Å; E866-K869 PolarHBondContact O-N 3.06Å; E866-K869 IonicContact OE2-NZ 3.22Å; E866-K870 HydrophobicContact CG-CD 4.36Å; E866-K870 VanDerWaalsContact O-CB 3.28Å; E866-K870 WeakPolarHBondContact O-CB 3.36Å; E866-K870 VanDerWaalsContact O-CG 3.3Å; E866-K870 WeakPolarHBondContact O-CG 3.37Å; E866-K870 PolarHBondContact O-N 3.17Å; E866-K870 VanDerWaalsContact O-N 3.1Å; E866-K870 VanDerWaalsContact OE1-CE 3.28Å; E866-K870 WeakPolarHBondContact OE1-CE 3.4Å; E866-K870 IonicContact OE1-NZ 3.5Å
867Q79.5Confident75Confident105.25 Ų105.2568.5 Ų68.549%0.49232%0.315SS..Hα-helixtrans-61.1-49.5171.3-176.7-179.4-11.200111.1D863 V864 L865 K869 K870 E871D863-Q867 WeakPolarHBondContact O-CB 3.21Å; D863-Q867 PolarHBondContact O-N 3.16Å; D863-Q867 VanDerWaalsContact O-N 3.11Å; V864-Q867 PolarHBondContact O-N 3.05Å; L865-Q867 VanDerWaalsContact C-N 3.35Å; Q867-K869 PolarHBondContact O-N 3.07Å; Q867-K870 CarbonylContact O-C 3.6Å; Q867-K870 PolarHBondContact O-N 3.21Å; Q867-E871 HydrophobicContact CG-CG 4.43Å; Q867-E871 PolarHBondContact NE2-OE1 3.17Å; Q867-E871 VanDerWaalsContact NE2-OE1 3.1Å; Q867-E871 WeakPolarHBondContact O-CB 3.36Å; Q867-E871 WeakPolarHBondContact O-CG 3.35Å; Q867-E871 PolarHBondContact O-N 3.01Å
868Y74.9Confident73.6Confident43.25 Ų43.2575 Ų7517%0.1734%0.343CS..Hα-helixtrans-67.3-34.8178.9-87.2-81.9000112.8V864 L865 K870 E871 M872 M919 P920 I923V864-Y868 HydrophobicContact CG1-CD2 3.86Å; V864-Y868 HydrophobicContact CG1-CE2 3.99Å; V864-Y868 VanDerWaalsContact O-CD2 3.31Å; V864-Y868 WeakPolarHBondContact O-CD2 3.29Å; V864-Y868 PolarHBondContact O-N 3.28Å; V864-Y868 VanDerWaalsContact O-N 3.13Å; L865-Y868 PolarHBondContact O-N 3.12Å; Y868-K870 VanDerWaalsContact C-N 3.33Å; Y868-K870 PolarHBondContact O-N 3.33Å; Y868-E871 PolarHBondContact O-N 3.06Å; Y868-M872 VanDerWaalsContact O-CB 3.31Å; Y868-M872 WeakPolarHBondContact O-CB 3.27Å; Y868-M872 VanDerWaalsContact O-CG 3.24Å; Y868-M872 WeakPolarHBondContact O-CG 3.42Å; Y868-M872 PolarHBondContact O-N 3.08Å; Y868-M919 HydrophobicContact CD1-CE 4.08Å; Y868-M919 VanDerWaalsContact CD1-CE 3.5Å; Y868-M919 HydrophobicContact CE1-CE 4.07Å; Y868-P920 WeakPolarHBondContact OH-CG 3.32Å; Y868-I923 HydrophobicContact CD1-CD1 4.2Å; Y868-I923 HydrophobicContact CD2-CD1 3.89Å; Y868-I923 HydrophobicContact CE1-CD1 3.84Å; Y868-I923 HydrophobicContact CE1-CG1 4.45Å; Y868-I923 HydrophobicContact CE2-CD1 3.38Å; Y868-I923 VanDerWaalsContact CE2-CD1 3.45Å; Y868-I923 HydrophobicContact CE2-CG1 4.22Å; Y868-I923 HydrophobicContact CE2-CG2 4.3Å; Y868-I923 HydrophobicContact CG-CD1 4.26Å; Y868-I923 VanDerWaalsContact CZ-CD1 3.42Å; Y868-I923 WeakPolarHBondContact OH-CD1 3.31Å
869K73.4Confident72.1Confident92.25 Ų92.2579.9 Ų79.940%0.40137%0.369SS..Hα-helixtrans-61.8-43.9170.9-78.8171.7-173.3170.20110.9V795 L865 E866 Q867 M873V795-K869 HydrophobicContact CB-CG 4.25Å; V795-K869 WeakPolarHBondContact O-CE 3.22Å; L865-K869 VanDerWaalsContact O-CB 3.29Å; L865-K869 WeakPolarHBondContact O-CB 3.25Å; L865-K869 VanDerWaalsContact O-CG 3.27Å; L865-K869 WeakPolarHBondContact O-CG 3.27Å; L865-K869 PolarHBondContact O-N 3.17Å; E866-K869 PolarHBondContact O-N 3.06Å; E866-K869 IonicContact OE2-NZ 3.22Å; Q867-K869 PolarHBondContact O-N 3.07Å; K869-M873 WeakPolarHBondContact O-CA 3.36Å; K869-M873 VanDerWaalsContact O-CB 3.27Å; K869-M873 WeakPolarHBondContact O-CB 3.27Å; K869-M873 PolarHBondContact O-N 3.11Å
870K72.7Confident70.4Confident123.25 Ų123.2575.1 Ų75.154%0.53635%0.35SS..Hα-helixtrans-66.4-43.3177.1-76.7171.7-177.6165.90112.2E866 Q867 Y868 M873 Y874E866-K870 HydrophobicContact CG-CD 4.36Å; E866-K870 VanDerWaalsContact O-CB 3.28Å; E866-K870 WeakPolarHBondContact O-CB 3.36Å; E866-K870 VanDerWaalsContact O-CG 3.3Å; E866-K870 WeakPolarHBondContact O-CG 3.37Å; E866-K870 PolarHBondContact O-N 3.17Å; E866-K870 VanDerWaalsContact O-N 3.1Å; E866-K870 VanDerWaalsContact OE1-CE 3.28Å; E866-K870 WeakPolarHBondContact OE1-CE 3.4Å; E866-K870 IonicContact OE1-NZ 3.5Å; Q867-K870 CarbonylContact O-C 3.6Å; Q867-K870 PolarHBondContact O-N 3.21Å; Y868-K870 VanDerWaalsContact C-N 3.33Å; Y868-K870 PolarHBondContact O-N 3.33Å; K870-M873 PolarHBondContact O-N 3.06Å; K870-Y874 WeakPolarHBondContact O-CA 3.31Å; K870-Y874 WeakPolarHBondContact O-CB 3.38Å; K870-Y874 PolarHBondContact O-N 3.17Å
871E70Confident68.9Low88.25 Ų88.2572.6 Ų72.641%0.41235%0.35SS..Hα-helixtrans-64.2-45.8176.7-75.5-178.9-169.300111Q867 Y868 M873 Y874 L875Q867-E871 HydrophobicContact CG-CG 4.43Å; Q867-E871 PolarHBondContact NE2-OE1 3.17Å; Q867-E871 VanDerWaalsContact NE2-OE1 3.1Å; Q867-E871 WeakPolarHBondContact O-CB 3.36Å; Q867-E871 WeakPolarHBondContact O-CG 3.35Å; Q867-E871 PolarHBondContact O-N 3.01Å; Y868-E871 PolarHBondContact O-N 3.06Å; E871-M873 PolarHBondContact O-N 3.19Å; E871-Y874 WeakPolarHBondContact O-CB 3.23Å; E871-Y874 PolarHBondContact O-N 3.26Å; E871-L875 WeakPolarHBondContact O-CB 3.31Å; E871-L875 VanDerWaalsContact O-CD1 3.27Å; E871-L875 WeakPolarHBondContact O-CD1 3.29Å; E871-L875 WeakPolarHBondContact O-CG 3.32Å; E871-L875 PolarHBondContact O-N 3.21Å
872M66.3Low67.5Low8.25 Ų8.2573.9 Ų73.94%0.04136%0.356CS..Hα-helixtrans-64.1-42.2174-83.7-73.1-82.700111.8L790 V795 Y868 Y874 L875 F876 M916 M919 L935 A939L790-M872 HydrophobicContact CD1-CE 4.23Å; V795-M872 HydrophobicContact CG2-CB 4.09Å; V795-M872 HydrophobicContact CG2-CE 3.79Å; V795-M872 HydrophobicContact CG2-CG 4.23Å; Y868-M872 VanDerWaalsContact O-CB 3.31Å; Y868-M872 WeakPolarHBondContact O-CB 3.27Å; Y868-M872 VanDerWaalsContact O-CG 3.24Å; Y868-M872 WeakPolarHBondContact O-CG 3.42Å; Y868-M872 PolarHBondContact O-N 3.08Å; M872-Y874 VanDerWaalsContact C-N 3.27Å; M872-Y874 PolarHBondContact O-N 3.03Å; M872-L875 CarbonylContact O-C 3.56Å; M872-L875 PolarHBondContact O-N 3.28Å; M872-L875 VanDerWaalsContact O-N 3.16Å; M872-L875 HydrophobicContact SD-CD1 4.19Å; M872-F876 HydrophobicContact CB-CD2 4.45Å; M872-F876 HydrophobicContact CE-CD2 3.68Å; M872-F876 VanDerWaalsContact CE-CD2 3.43Å; M872-F876 HydrophobicContact CE-CE2 3.59Å; M872-F876 VanDerWaalsContact CE-CE2 3.49Å; M872-F876 HydrophobicContact CE-CG 4.37Å; M872-F876 HydrophobicContact CE-CZ 4.36Å; M872-F876 VanDerWaalsContact O-CB 3.25Å; M872-F876 WeakPolarHBondContact O-CB 3.37Å; M872-F876 VanDerWaalsContact O-CD2 3.23Å; M872-F876 WeakPolarHBondContact O-CD2 3.44Å; M872-F876 PolarHBondContact O-N 3.12Å; M872-F876 HydrophobicContact SD-CD2 3.89Å; M872-F876 VanDerWaalsContact SD-CD2 3.54Å; M872-F876 HydrophobicContact SD-CE2 3.55Å; M872-F876 VanDerWaalsContact SD-CE2 3.54Å; M872-F876 WeakPolarHBondContact SD-CE2 3.31Å; M872-F876 HydrophobicContact SD-CZ 4.49Å; M872-M916 HydrophobicContact CE-SD 4.18Å; M872-M916 HydrophobicContact SD-CE 4.24Å; M872-M916 HydrophobicContact SD-SD 4.36Å; M872-M919 HydrophobicContact CE-CE 4.29Å; M872-M919 HydrophobicContact CE-SD 4.49Å; M872-M919 HydrophobicContact CG-CE 4.47Å; M872-M919 HydrophobicContact SD-CE 4.46Å; M872-L935 HydrophobicContact CE-CD1 3.57Å; M872-L935 VanDerWaalsContact CE-CD1 3.46Å; M872-L935 HydrophobicContact CE-CD2 3.92Å; M872-L935 HydrophobicContact CE-CG 3.73Å; M872-L935 VanDerWaalsContact CE-CG 3.47Å; M872-L935 HydrophobicContact CG-CD2 4.21Å; M872-L935 HydrophobicContact SD-CD2 4.16Å; M872-L935 HydrophobicContact SD-CG 4.39Å; M872-A939 HydrophobicContact CE-CB 3.98Å
873M64Low65.9Low108 Ų10869.9 Ų69.953%0.53234%0.339SS..Hα-helixtrans-63.4-37.2176.9-169.8-175.779.100111.2K869 K870 E871 L875 F876 F877 K878K869-M873 WeakPolarHBondContact O-CA 3.36Å; K869-M873 VanDerWaalsContact O-CB 3.27Å; K869-M873 WeakPolarHBondContact O-CB 3.27Å; K869-M873 PolarHBondContact O-N 3.11Å; K870-M873 PolarHBondContact O-N 3.06Å; E871-M873 PolarHBondContact O-N 3.19Å; M873-L875 VanDerWaalsContact C-N 3.33Å; M873-L875 PolarHBondContact O-N 3.46Å; M873-F876 PolarHBondContact O-N 3.01Å; M873-F877 HydrophobicContact CB-CD2 4.25Å; M873-F877 HydrophobicContact CB-CE2 4.42Å; M873-F877 HydrophobicContact CG-CB 4.1Å; M873-F877 HydrophobicContact CG-CD2 3.77Å; M873-F877 HydrophobicContact CG-CE2 4.1Å; M873-F877 HydrophobicContact CG-CG 4.2Å; M873-F877 CarbonylContact O-C 3.49Å; M873-F877 VanDerWaalsContact O-CA 3.31Å; M873-F877 WeakPolarHBondContact O-CA 3.35Å; M873-F877 VanDerWaalsContact O-CB 3.25Å; M873-F877 WeakPolarHBondContact O-CB 3.33Å; M873-F877 VanDerWaalsContact O-CD2 3.24Å; M873-F877 WeakPolarHBondContact O-CD2 3.48Å; M873-F877 PolarHBondContact O-N 3.06Å; M873-K878 PolarHBondContact O-N 3.24Å
874Y65.9Low64.5Low149.5 Ų149.567.6 Ų67.659%0.58634%0.338SS*.Hα-helixtrans-66.1-43173.5-178.1-103.9000111.8K870 E871 M872 F876 K878K870-Y874 WeakPolarHBondContact O-CA 3.31Å; K870-Y874 WeakPolarHBondContact O-CB 3.38Å; K870-Y874 PolarHBondContact O-N 3.17Å; E871-Y874 WeakPolarHBondContact O-CB 3.23Å; E871-Y874 PolarHBondContact O-N 3.26Å; M872-Y874 VanDerWaalsContact C-N 3.27Å; M872-Y874 PolarHBondContact O-N 3.03Å; Y874-F876 VanDerWaalsContact C-N 3.35Å; Y874-F876 PolarHBondContact O-N 3.19Å; Y874-K878 HydrophobicContact CD2-CB 3.93Å; Y874-K878 HydrophobicContact CD2-CD 3.73Å; Y874-K878 HydrophobicContact CD2-CG 4.3Å; Y874-K878 HydrophobicContact CE2-CB 4.38Å; Y874-K878 HydrophobicContact CE2-CD 4.15Å
875L63.3Low63.3Low42.25 Ų42.2571.3 Ų71.322%0.22135%0.353CS..Hα-helixtrans-67.1-34179-102.6127.6000113E871 M872 M873 L880 R912 A915 M916E871-L875 WeakPolarHBondContact O-CB 3.31Å; E871-L875 VanDerWaalsContact O-CD1 3.27Å; E871-L875 WeakPolarHBondContact O-CD1 3.29Å; E871-L875 WeakPolarHBondContact O-CG 3.32Å; E871-L875 PolarHBondContact O-N 3.21Å; M872-L875 CarbonylContact O-C 3.56Å; M872-L875 PolarHBondContact O-N 3.28Å; M872-L875 VanDerWaalsContact O-N 3.16Å; M872-L875 HydrophobicContact SD-CD1 4.19Å; M873-L875 VanDerWaalsContact C-N 3.33Å; M873-L875 PolarHBondContact O-N 3.46Å; L875-L880 WeakPolarHBondContact O-CD1 3.2Å; L875-R912 WeakPolarHBondContact O-CD 3.36Å; L875-R912 PolarHBondContact O-NE 3.33Å; L875-R912 PolarHBondContact O-NH1 3.01Å; L875-A915 HydrophobicContact CD1-CB 4.23Å; L875-A915 HydrophobicContact CD2-CB 3.99Å; L875-M916 HydrophobicContact CB-CE 4.22Å; L875-M916 HydrophobicContact CD1-CE 3.63Å; L875-M916 VanDerWaalsContact CD1-CE 3.48Å; L875-M916 HydrophobicContact CD2-CE 3.71Å; L875-M916 HydrophobicContact CD2-CG 4.2Å; L875-M916 HydrophobicContact CD2-SD 3.74Å; L875-M916 VanDerWaalsContact CD2-SD 3.57Å; L875-M916 HydrophobicContact CG-CE 4.11Å
876F59.8Low62.3Low14 Ų1477.1 Ų77.16%0.06139%0.391CS..Hα-helixtrans-105-27.7-173.8-77.3-76.4000115.8L790 M872 M873 Y874 L880 I882 I883 M916 A939 R942L790-F876 HydrophobicContact CD2-CZ 4.34Å; M872-F876 HydrophobicContact CB-CD2 4.45Å; M872-F876 HydrophobicContact CE-CD2 3.68Å; M872-F876 VanDerWaalsContact CE-CD2 3.43Å; M872-F876 HydrophobicContact CE-CE2 3.59Å; M872-F876 VanDerWaalsContact CE-CE2 3.49Å; M872-F876 HydrophobicContact CE-CG 4.37Å; M872-F876 HydrophobicContact CE-CZ 4.36Å; M872-F876 VanDerWaalsContact O-CB 3.25Å; M872-F876 WeakPolarHBondContact O-CB 3.37Å; M872-F876 VanDerWaalsContact O-CD2 3.23Å; M872-F876 WeakPolarHBondContact O-CD2 3.44Å; M872-F876 PolarHBondContact O-N 3.12Å; M872-F876 HydrophobicContact SD-CD2 3.89Å; M872-F876 VanDerWaalsContact SD-CD2 3.54Å; M872-F876 HydrophobicContact SD-CE2 3.55Å; M872-F876 VanDerWaalsContact SD-CE2 3.54Å; M872-F876 WeakPolarHBondContact SD-CE2 3.31Å; M872-F876 HydrophobicContact SD-CZ 4.49Å; M873-F876 PolarHBondContact O-N 3.01Å; Y874-F876 VanDerWaalsContact C-N 3.35Å; Y874-F876 PolarHBondContact O-N 3.19Å; F876-L880 VanDerWaalsContact O-CB 3.26Å; F876-L880 WeakPolarHBondContact O-CB 3.11Å; F876-L880 WeakPolarHBondContact O-CD1 3.39Å; F876-L880 WeakPolarHBondContact O-CG 3.43Å; F876-I882 HydrophobicContact CD1-CG2 4.26Å; F876-I883 HydrophobicContact CB-CD1 3.78Å; F876-I883 HydrophobicContact CB-CG1 4.25Å; F876-I883 HydrophobicContact CD1-CD1 3.33Å; F876-I883 VanDerWaalsContact CD1-CD1 3.46Å; F876-I883 HydrophobicContact CD1-CG1 3.9Å; F876-I883 HydrophobicContact CD2-CD1 4.08Å; F876-I883 HydrophobicContact CE1-CD1 3.87Å; F876-I883 HydrophobicContact CE2-CD1 4.26Å; F876-I883 HydrophobicContact CG-CD1 3.46Å; F876-I883 HydrophobicContact CG-CG1 4.26Å; F876-I883 HydrophobicContact CZ-CD1 4.34Å; F876-M916 HydrophobicContact CE2-SD 4.03Å; F876-M916 HydrophobicContact CZ-SD 4.17Å; F876-A939 HydrophobicContact CE1-CB 4.4Å; F876-A939 HydrophobicContact CE2-CB 4.16Å; F876-A939 HydrophobicContact CZ-CB 3.48Å; F876-R942 HydrophobicContact CE1-CB 4.33Å
877F57.5Low61.5Low91.5 Ų91.576.7 Ų76.740%0.40139%0.391SS..Hα-helixtrans-115.4-28-165.1-68.7-82.7000115.3T793 M873 D879 L880 I883T793-F877 HydrophobicContact CG2-CE1 4.37Å; T793-F877 HydrophobicContact CG2-CZ 4.47Å; T793-F877 WeakPolarHBondContact O-CE2 3.08Å; M873-F877 HydrophobicContact CB-CD2 4.25Å; M873-F877 HydrophobicContact CB-CE2 4.42Å; M873-F877 HydrophobicContact CG-CB 4.1Å; M873-F877 HydrophobicContact CG-CD2 3.77Å; M873-F877 HydrophobicContact CG-CE2 4.1Å; M873-F877 HydrophobicContact CG-CG 4.2Å; M873-F877 CarbonylContact O-C 3.49Å; M873-F877 VanDerWaalsContact O-CA 3.31Å; M873-F877 WeakPolarHBondContact O-CA 3.35Å; M873-F877 VanDerWaalsContact O-CB 3.25Å; M873-F877 WeakPolarHBondContact O-CB 3.33Å; M873-F877 VanDerWaalsContact O-CD2 3.24Å; M873-F877 WeakPolarHBondContact O-CD2 3.48Å; M873-F877 PolarHBondContact O-N 3.06Å; F877-D879 PolarHBondContact O-N 3Å; F877-L880 PolarHBondContact O-N 3.06Å; F877-I883 HydrophobicContact CZ-CG2 4.27Å
878K54.6Low61.1Low148 Ų14873.2 Ų73.264%0.64338%0.376SS*.SBendtrans-73.4-41.1-166.6-153.4178.3-179.1-176.70114.5M873 Y874M873-K878 PolarHBondContact O-N 3.24Å; Y874-K878 HydrophobicContact CD2-CB 3.93Å; Y874-K878 HydrophobicContact CD2-CD 3.73Å; Y874-K878 HydrophobicContact CD2-CG 4.3Å; Y874-K878 HydrophobicContact CE2-CB 4.38Å; Y874-K878 HydrophobicContact CE2-CD 4.15Å
879D52.9Low61Low105.5 Ų105.576.5 Ų76.556%0.56439%0.393SS*.SBendtrans-123.73-172.7-58.3-42.4000114.8F877 G881 R912F877-D879 PolarHBondContact O-N 3Å; D879-G881 PolarHBondContact O-N 3.12Å; D879-G881 VanDerWaalsContact O-N 3.17Å; D879-R912 IonicContact OD2-NH2 2.82Å
880L50.1Low61Low25.25 Ų25.2578.2 Ų78.213%0.13240%0.402CS..SBendtrans-104.327.8-173.3-91.9179.1000114.8L875 F876 F877 I882 I883 G884 A905 E908 I909 R912L875-L880 WeakPolarHBondContact O-CD1 3.2Å; F876-L880 VanDerWaalsContact O-CB 3.26Å; F876-L880 WeakPolarHBondContact O-CB 3.11Å; F876-L880 WeakPolarHBondContact O-CD1 3.39Å; F876-L880 WeakPolarHBondContact O-CG 3.43Å; F877-L880 PolarHBondContact O-N 3.06Å; L880-I882 HydrophobicContact CB-CD1 3.63Å; L880-I882 HydrophobicContact CB-CG1 3.52Å; L880-I882 VanDerWaalsContact CB-CG1 3.49Å; L880-I882 HydrophobicContact CD1-CD1 3.83Å; L880-I882 HydrophobicContact CD1-CG1 4.46Å; L880-I882 HydrophobicContact CG-CD1 4.37Å; L880-I882 WeakPolarHBondContact O-CG1 3.29Å; L880-I882 PolarHBondContact O-N 3Å; L880-I883 HydrophobicContact CD1-CB 4.08Å; L880-I883 HydrophobicContact CD1-CG2 4.21Å; L880-I883 VanDerWaalsContact CD2-CA 3.47Å; L880-I883 HydrophobicContact CD2-CB 3.41Å; L880-I883 HydrophobicContact CD2-CD1 3.86Å; L880-I883 HydrophobicContact CD2-CG1 3.84Å; L880-I883 VanDerWaalsContact CD2-CG1 3.48Å; L880-I883 HydrophobicContact CD2-CG2 4.48Å; L880-I883 HydrophobicContact CG-CB 4.38Å; L880-G884 VanDerWaalsContact CD1-CA 3.46Å; L880-G884 VanDerWaalsContact CD1-N 3.29Å; L880-A905 HydrophobicContact CD2-CB 4.48Å; L880-E908 HydrophobicContact CD1-CB 3.98Å; L880-E908 HydrophobicContact CD1-CG 3.39Å; L880-E908 HydrophobicContact CD2-CG 4.46Å; L880-E908 HydrophobicContact CG-CG 3.88Å; L880-I909 HydrophobicContact CD1-CG1 4.2Å; L880-R912 VanDerWaalsContact CD2-CZ 3.42Å
881G52.7Low60.8Low45.25 Ų45.2573.8 Ų73.847%0.46639%0.385SS..THydrogen-bonded Turntrans1.47.9175.800000115.4D879 I883 L891D879-G881 PolarHBondContact O-N 3.12Å; D879-G881 VanDerWaalsContact O-N 3.17Å; G881-I883 PolarHBondContact O-N 2.99Å; G881-L891 WeakPolarHBondContact O-CD1 3.33Å; G881-L891 WeakPolarHBondContact O-CD2 3.4Å
882I53Low61.1Low27.25 Ų27.2569.9 Ų69.914%0.1437%0.367CS..THydrogen-bonded Turntrans-100-33-173.9-59.6169.6000113.3F876 L880 L888 L891 F896 A905 R942 L943 A946F876-I882 HydrophobicContact CD1-CG2 4.26Å; L880-I882 HydrophobicContact CB-CD1 3.63Å; L880-I882 HydrophobicContact CB-CG1 3.52Å; L880-I882 VanDerWaalsContact CB-CG1 3.49Å; L880-I882 HydrophobicContact CD1-CD1 3.83Å; L880-I882 HydrophobicContact CD1-CG1 4.46Å; L880-I882 HydrophobicContact CG-CD1 4.37Å; L880-I882 WeakPolarHBondContact O-CG1 3.29Å; L880-I882 PolarHBondContact O-N 3Å; I882-L888 HydrophobicContact CG1-CD1 4.5Å; I882-L888 HydrophobicContact CG2-CD1 3.39Å; I882-L888 VanDerWaalsContact CG2-CD1 3.45Å; I882-L888 WeakPolarHBondContact O-CD1 3.46Å; I882-L891 VanDerWaalsContact CA-CD2 3.47Å; I882-L891 HydrophobicContact CB-CD2 4.1Å; I882-L891 HydrophobicContact CG1-CD2 3.88Å; I882-L891 HydrophobicContact CG2-CD2 4.21Å; I882-F896 HydrophobicContact CD1-CE2 3.71Å; I882-F896 HydrophobicContact CD1-CZ 3.62Å; I882-F896 HydrophobicContact CG1-CE2 3.95Å; I882-F896 HydrophobicContact CG1-CZ 4.18Å; I882-F896 HydrophobicContact CG2-CE2 4.17Å; I882-F896 HydrophobicContact CG2-CZ 3.98Å; I882-A905 HydrophobicContact CD1-CB 4.25Å; I882-R942 HydrophobicContact CG2-CB 4.21Å; I882-L943 HydrophobicContact CD1-CD2 4.27Å; I882-A946 HydrophobicContact CD1-CB 4.18Å
883I50.6Low61.4Low24 Ų2473.6 Ų73.612%0.12340%0.398CS..THydrogen-bonded Turntrans-111.138.6-173-52.8173.8000111.5L790 T793 F876 F877 L880 G881 I909 L943 A946L790-I883 HydrophobicContact CD2-CD1 4.35Å; T793-I883 HydrophobicContact CG2-CG2 3.24Å; F876-I883 HydrophobicContact CB-CD1 3.78Å; F876-I883 HydrophobicContact CB-CG1 4.25Å; F876-I883 HydrophobicContact CD1-CD1 3.33Å; F876-I883 VanDerWaalsContact CD1-CD1 3.46Å; F876-I883 HydrophobicContact CD1-CG1 3.9Å; F876-I883 HydrophobicContact CD2-CD1 4.08Å; F876-I883 HydrophobicContact CE1-CD1 3.87Å; F876-I883 HydrophobicContact CE2-CD1 4.26Å; F876-I883 HydrophobicContact CG-CD1 3.46Å; F876-I883 HydrophobicContact CG-CG1 4.26Å; F876-I883 HydrophobicContact CZ-CD1 4.34Å; F877-I883 HydrophobicContact CZ-CG2 4.27Å; L880-I883 HydrophobicContact CD1-CB 4.08Å; L880-I883 HydrophobicContact CD1-CG2 4.21Å; L880-I883 VanDerWaalsContact CD2-CA 3.47Å; L880-I883 HydrophobicContact CD2-CB 3.41Å; L880-I883 HydrophobicContact CD2-CD1 3.86Å; L880-I883 HydrophobicContact CD2-CG1 3.84Å; L880-I883 VanDerWaalsContact CD2-CG1 3.48Å; L880-I883 HydrophobicContact CD2-CG2 4.48Å; L880-I883 HydrophobicContact CG-CB 4.38Å; G881-I883 PolarHBondContact O-N 2.99Å; I883-I909 HydrophobicContact CD1-CD1 4.41Å; I883-I909 HydrophobicContact CD1-CG1 3.57Å; I883-I909 HydrophobicContact CG1-CG1 4.35Å; I883-L943 HydrophobicContact CD1-CD2 4.36Å; I883-A946 HydrophobicContact CB-CB 4.49Å; I883-A946 HydrophobicContact CG1-CB 4.39Å; I883-A946 HydrophobicContact CG2-CB 3.63Å
884G53.4Low61.8Low49 Ų4972 Ų7251%0.50540%0.398SS..THydrogen-bonded Turntrans-147.3-21.4178.300000115.5L880L880-G884 VanDerWaalsContact CD1-CA 3.46Å; L880-G884 VanDerWaalsContact CD1-N 3.29Å
885E54.6Low62.2Low114.75 Ų114.7571.9 Ų71.954%0.53640%0.4SS..SBendtrans-93.2132179.1-71.9-171.6172.800110.8N887 L891E885-N887 PolarHBondContact O-N 3.24Å; E885-N887 VanDerWaalsContact O-N 3.1Å; E885-L891 VanDerWaalsContact CD-CD1 3.47Å; E885-L891 HydrophobicContact CG-CD1 4.39Å; E885-L891 WeakPolarHBondContact OE2-CD1 3.39Å
886P58.4Low63Low135 Ų13571.2 Ų71.288%0.87740%0.395SS*.THydrogen-bonded Turntrans-67.4-9.6-172.325.6-33000114
887N64.7Low63.7Low71 Ų7179.7 Ų79.738%0.3843%0.427SS..THydrogen-bonded Turntrans-132.176.2-178.4-115-10000111.7E885 E889 E890 L891E885-N887 PolarHBondContact O-N 3.24Å; E885-N887 VanDerWaalsContact O-N 3.1Å; N887-E889 PolarHBondContact O-N 3.21Å; N887-E889 VanDerWaalsContact O-N 3.13Å; N887-E890 HydrophobicContact CB-CB 4.1Å; N887-E890 HydrophobicContact CB-CG 4.05Å; N887-E890 WeakPolarHBondContact CB-OE2 3.49Å; N887-E890 VanDerWaalsContact ND2-CD 3.27Å; N887-E890 PolarHBondContact ND2-OE1 3.21Å; N887-E890 PolarHBondContact ND2-OE2 2.98Å; N887-E890 PolarHBondContact O-N 2.9Å; N887-E890 VanDerWaalsContact O-N 3.07Å; N887-L891 PolarHBondContact O-N 3.12Å
888L69.7Low64.8Low31.5 Ų31.579.3 Ų79.317%0.16543%0.426CS..Hα-helixtrans-53.3-32.2174.2-166.677.9000111.7I882 L891 I892 A946 T949I882-L888 HydrophobicContact CG1-CD1 4.5Å; I882-L888 HydrophobicContact CG2-CD1 3.39Å; I882-L888 VanDerWaalsContact CG2-CD1 3.45Å; I882-L888 WeakPolarHBondContact O-CD1 3.46Å; L888-L891 PolarHBondContact O-N 3.2Å; L888-I892 HydrophobicContact CD1-CD1 3.85Å; L888-I892 HydrophobicContact CD1-CG1 4.07Å; L888-I892 HydrophobicContact CD2-CD1 4.18Å; L888-I892 HydrophobicContact CG-CD1 3.93Å; L888-I892 HydrophobicContact CG-CG1 4.35Å; L888-I892 WeakPolarHBondContact O-CB 3.37Å; L888-I892 VanDerWaalsContact O-CD1 3.31Å; L888-I892 WeakPolarHBondContact O-CD1 3.28Å; L888-I892 WeakPolarHBondContact O-CG1 3.35Å; L888-I892 PolarHBondContact O-N 2.87Å; L888-A946 HydrophobicContact CD2-CB 3.97Å; L888-T949 HydrophobicContact CB-CG2 4.3Å; L888-T949 HydrophobicContact CD2-CG2 3.89Å; L888-T949 HydrophobicContact CG-CG2 3.92Å
889E73.9Confident66Low112.25 Ų112.2573.4 Ų73.453%0.52540%0.403SS..Hα-helixtrans-64.5-42.6176.4-67-176.417400113.4N887 L891 I892 A893 T949 T953N887-E889 PolarHBondContact O-N 3.21Å; N887-E889 VanDerWaalsContact O-N 3.13Å; E889-L891 VanDerWaalsContact C-N 3.33Å; E889-L891 PolarHBondContact O-N 2.9Å; E889-I892 PolarHBondContact O-N 3.05Å; E889-A893 VanDerWaalsContact O-CB 3.24Å; E889-A893 WeakPolarHBondContact O-CB 3.22Å; E889-A893 PolarHBondContact O-N 3.33Å; E889-T949 HydrophobicContact CG-CG2 3.62Å; E889-T953 HydrophobicContact CG-CG2 4.38Å
890E72Confident67.4Low128.25 Ų128.2571.6 Ų71.660%0.59940%0.399SS*.Hα-helixtrans-68.4-38.9177.7-74.3177.6176.800111.5N887 A893 S894N887-E890 HydrophobicContact CB-CB 4.1Å; N887-E890 HydrophobicContact CB-CG 4.05Å; N887-E890 WeakPolarHBondContact CB-OE2 3.49Å; N887-E890 VanDerWaalsContact ND2-CD 3.27Å; N887-E890 PolarHBondContact ND2-OE1 3.21Å; N887-E890 PolarHBondContact ND2-OE2 2.98Å; N887-E890 PolarHBondContact O-N 2.9Å; N887-E890 VanDerWaalsContact O-N 3.07Å; E890-A893 PolarHBondContact O-N 2.9Å; E890-S894 WeakPolarHBondContact O-CB 3.31Å; E890-S894 PolarHBondContact O-N 3.14Å; E890-S894 PolarHBondContact O-OG 3.02Å; E890-S894 VanDerWaalsContact O-OG 3.06Å
891L69.6Low69Low32 Ų3272.9 Ų72.917%0.16841%0.406CS..Hα-helixtrans-66.2-44.4177.1-169.5101.1000111.1G881 I882 E885 N887 L888 E889 A893 S894 K895G881-L891 WeakPolarHBondContact O-CD1 3.33Å; G881-L891 WeakPolarHBondContact O-CD2 3.4Å; I882-L891 VanDerWaalsContact CA-CD2 3.47Å; I882-L891 HydrophobicContact CB-CD2 4.1Å; I882-L891 HydrophobicContact CG1-CD2 3.88Å; I882-L891 HydrophobicContact CG2-CD2 4.21Å; E885-L891 VanDerWaalsContact CD-CD1 3.47Å; E885-L891 HydrophobicContact CG-CD1 4.39Å; E885-L891 WeakPolarHBondContact OE2-CD1 3.39Å; N887-L891 PolarHBondContact O-N 3.12Å; L888-L891 PolarHBondContact O-N 3.2Å; E889-L891 VanDerWaalsContact C-N 3.33Å; E889-L891 PolarHBondContact O-N 2.9Å; L891-A893 VanDerWaalsContact C-N 3.28Å; L891-A893 PolarHBondContact O-N 3.11Å; L891-S894 PolarHBondContact O-N 3.14Å; L891-S894 VanDerWaalsContact O-N 3.1Å; L891-S894 PolarHBondContact O-OG 3.36Å; L891-K895 HydrophobicContact CD1-CG 4.11Å; L891-K895 HydrophobicContact CD2-CB 4.49Å; L891-K895 HydrophobicContact CD2-CG 4.22Å; L891-K895 HydrophobicContact CG-CG 4.36Å; L891-K895 WeakPolarHBondContact O-CB 3.42Å; L891-K895 PolarHBondContact O-N 2.99Å; L891-K895 VanDerWaalsContact O-N 3.08Å
892I75.6Confident70.6Confident6 Ų671.1 Ų71.13%0.03139%0.385CS..Hα-helixtrans-61.2-46.3175.4-68162.9000109.9L888 E889 S894 K895 F896 W902 T949 L950 T953L888-I892 HydrophobicContact CD1-CD1 3.85Å; L888-I892 HydrophobicContact CD1-CG1 4.07Å; L888-I892 HydrophobicContact CD2-CD1 4.18Å; L888-I892 HydrophobicContact CG-CD1 3.93Å; L888-I892 HydrophobicContact CG-CG1 4.35Å; L888-I892 WeakPolarHBondContact O-CB 3.37Å; L888-I892 VanDerWaalsContact O-CD1 3.31Å; L888-I892 WeakPolarHBondContact O-CD1 3.28Å; L888-I892 WeakPolarHBondContact O-CG1 3.35Å; L888-I892 PolarHBondContact O-N 2.87Å; E889-I892 PolarHBondContact O-N 3.05Å; I892-S894 VanDerWaalsContact C-N 3.27Å; I892-S894 PolarHBondContact O-N 2.89Å; I892-K895 PolarHBondContact O-N 3.26Å; I892-F896 HydrophobicContact CB-CD2 4.25Å; I892-F896 HydrophobicContact CB-CE2 4.48Å; I892-F896 HydrophobicContact CG1-CD2 4.31Å; I892-F896 HydrophobicContact CG1-CE2 4.1Å; I892-F896 HydrophobicContact CG1-CZ 4.29Å; I892-F896 HydrophobicContact CG2-CB 4.06Å; I892-F896 HydrophobicContact CG2-CD1 4.21Å; I892-F896 HydrophobicContact CG2-CD2 4.12Å; I892-F896 HydrophobicContact CG2-CE2 4.5Å; I892-F896 HydrophobicContact CG2-CG 3.89Å; I892-F896 VanDerWaalsContact O-CB 3.28Å; I892-F896 WeakPolarHBondContact O-CB 3.4Å; I892-F896 WeakPolarHBondContact O-CD2 3.28Å; I892-F896 PolarHBondContact O-N 3.14Å; I892-W902 HydrophobicContact CG2-CZ2 4.33Å; I892-T949 HydrophobicContact CD1-CG2 4.05Å; I892-L950 HydrophobicContact CD1-CD2 3.7Å; I892-L950 HydrophobicContact CD1-CG 4.31Å; I892-L950 HydrophobicContact CG1-CD2 4.16Å; I892-T953 HydrophobicContact CB-CG2 4.33Å; I892-T953 HydrophobicContact CD1-CG2 4.05Å; I892-T953 HydrophobicContact CG2-CG2 3.98Å; I892-T953 WeakPolarHBondContact CG2-OG1 3.45Å
893A72.7Confident72.1Confident85.25 Ų85.2573.8 Ų73.871%0.70540%0.397SS*.Hα-helixtrans-60.7-33.1178.500000113.2E889 E890 L891E889-A893 VanDerWaalsContact O-CB 3.24Å; E889-A893 WeakPolarHBondContact O-CB 3.22Å; E889-A893 PolarHBondContact O-N 3.33Å; E890-A893 PolarHBondContact O-N 2.9Å; L891-A893 VanDerWaalsContact C-N 3.28Å; L891-A893 PolarHBondContact O-N 3.11Å
894S73.7Confident73.6Confident74.25 Ų74.2575.2 Ų75.252%0.51941%0.412SS..Hα-helixtrans-81.8-34.618069.10000114E890 L891 I892E890-S894 WeakPolarHBondContact O-CB 3.31Å; E890-S894 PolarHBondContact O-N 3.14Å; E890-S894 PolarHBondContact O-OG 3.02Å; E890-S894 VanDerWaalsContact O-OG 3.06Å; L891-S894 PolarHBondContact O-N 3.14Å; L891-S894 VanDerWaalsContact O-N 3.1Å; L891-S894 PolarHBondContact O-OG 3.36Å; I892-S894 VanDerWaalsContact C-N 3.27Å; I892-S894 PolarHBondContact O-N 2.89Å
895K73.2Confident75Confident148 Ų14873.1 Ų73.164%0.64339%0.39SS*.Hα-helixtrans-105.7-29.1-169.5-68.1-122.2179.8179.30115.1L891 I892L891-K895 HydrophobicContact CD1-CG 4.11Å; L891-K895 HydrophobicContact CD2-CB 4.49Å; L891-K895 HydrophobicContact CD2-CG 4.22Å; L891-K895 HydrophobicContact CG-CG 4.36Å; L891-K895 WeakPolarHBondContact O-CB 3.42Å; L891-K895 PolarHBondContact O-N 2.99Å; L891-K895 VanDerWaalsContact O-N 3.08Å; I892-K895 PolarHBondContact O-N 3.26Å
896F80.5Confident76.5Confident27.25 Ų27.2568.5 Ų68.512%0.1237%0.368CS..  trans-92.7117.8-170.7-70.9-130.4000109.5I882 I892 D901 W902 A905 L950I882-F896 HydrophobicContact CD1-CE2 3.71Å; I882-F896 HydrophobicContact CD1-CZ 3.62Å; I882-F896 HydrophobicContact CG1-CE2 3.95Å; I882-F896 HydrophobicContact CG1-CZ 4.18Å; I882-F896 HydrophobicContact CG2-CE2 4.17Å; I882-F896 HydrophobicContact CG2-CZ 3.98Å; I892-F896 HydrophobicContact CB-CD2 4.25Å; I892-F896 HydrophobicContact CB-CE2 4.48Å; I892-F896 HydrophobicContact CG1-CD2 4.31Å; I892-F896 HydrophobicContact CG1-CE2 4.1Å; I892-F896 HydrophobicContact CG1-CZ 4.29Å; I892-F896 HydrophobicContact CG2-CB 4.06Å; I892-F896 HydrophobicContact CG2-CD1 4.21Å; I892-F896 HydrophobicContact CG2-CD2 4.12Å; I892-F896 HydrophobicContact CG2-CE2 4.5Å; I892-F896 HydrophobicContact CG2-CG 3.89Å; I892-F896 VanDerWaalsContact O-CB 3.28Å; I892-F896 WeakPolarHBondContact O-CB 3.4Å; I892-F896 WeakPolarHBondContact O-CD2 3.28Å; I892-F896 PolarHBondContact O-N 3.14Å; F896-D901 HydrophobicContact CB-CB 4.13Å; F896-D901 VanDerWaalsContact CD1-C 3.5Å; F896-D901 HydrophobicContact CD1-CB 3.66Å; F896-D901 VanDerWaalsContact CE1-C 3.46Å; F896-D901 HydrophobicContact CE1-CB 4.23Å; F896-D901 VanDerWaalsContact CE1-O 3.25Å; F896-D901 WeakPolarHBondContact CE1-O 3.42Å; F896-D901 HydrophobicContact CG-CB 3.87Å; F896-W902 HydrophobicContact CB-CD2 4.26Å; F896-W902 HydrophobicContact CB-CE3 4.26Å; F896-W902 HydrophobicContact CB-CH2 3.66Å; F896-W902 HydrophobicContact CB-CZ2 3.64Å; F896-W902 HydrophobicContact CB-CZ3 3.98Å; F896-W902 HydrophobicContact CD1-CB 4.4Å; F896-W902 AromaticContact CD1-CD1 3.84Å; F896-W902 AromaticContact CD1-CD2 3.66Å; F896-W902 HydrophobicContact CD1-CD2 3.66Å; F896-W902 AromaticContact CD1-CE2 3.75Å; F896-W902 HydrophobicContact CD1-CE3 4.17Å; F896-W902 AromaticContact CD1-CG 3.74Å; F896-W902 HydrophobicContact CD1-CG 3.74Å; F896-W902 HydrophobicContact CD1-CZ2 4.28Å; F896-W902 AromaticContact CD1-NE1 3.84Å; F896-W902 HydrophobicContact CE1-CB 4.49Å; F896-W902 HydrophobicContact CE1-CD2 4.41Å; F896-W902 HydrophobicContact CE1-CG 4.2Å; F896-W902 HydrophobicContact CG-CD2 4.46Å; F896-W902 HydrophobicContact CG-CZ2 4.43Å; F896-W902 WeakPolarHBondContact O-CH2 3.41Å; F896-A905 HydrophobicContact CE1-CB 3.84Å; F896-A905 HydrophobicContact CZ-CB 3.85Å; F896-L950 HydrophobicContact CE1-CD2 3.78Å; F896-L950 HydrophobicContact CZ-CD2 4.1Å
897R74.7Confident77.7Confident193 Ų19369 Ų6973%0.72835%0.353SS*.  trans-126.7-38.5179.1-64.7-168.3-179.4-155.50.2112.1D901R897-D901 PolarHBondContact N-OD2 3.07Å
898E79.5Confident78.4Confident81.75 Ų81.7568.5 Ų68.538%0.38235%0.349SS..SBendtrans-105.2148-176.9-66.8-65.4156.100110.3S900 D901 W902 K1009E898-S900 WeakPolarHBondContact CB-OG 3.5Å; E898-S900 PolarHBondContact O-N 3.34Å; E898-D901 PolarHBondContact N-OD2 3.34Å; E898-D901 VanDerWaalsContact O-CB 3.31Å; E898-D901 WeakPolarHBondContact O-CB 3.33Å; E898-D901 PolarHBondContact O-N 2.97Å; E898-W902 VanDerWaalsContact O-CE3 3.26Å; E898-W902 WeakPolarHBondContact O-CZ3 3.36Å; E898-K1009 IonicContact OE1-NZ 3.31Å; E898-K1009 PolarHBondContact OE1-NZ 3.24Å; E898-K1009 IonicContact OE2-NZ 2.75Å
899P80.5Confident79Confident24 Ų2467.7 Ų67.716%0.15634%0.344CS..Hα-helixtrans-52.3-30.2178.4-19.724.3000113.9D901 W902 E903 A1012 K1013 L1016P899-D901 PolarHBondContact O-N 3.28Å; P899-W902 PolarHBondContact O-N 3.18Å; P899-E903 PolarHBondContact O-N 3.18Å; P899-E903 VanDerWaalsContact O-N 3.16Å; P899-A1012 HydrophobicContact CG-CB 4.09Å; P899-K1013 HydrophobicContact CB-CG 4.24Å; P899-K1013 HydrophobicContact CG-CG 3.82Å; P899-L1016 HydrophobicContact CB-CD2 4.2Å; P899-L1016 VanDerWaalsContact O-CD2 3.25Å; P899-L1016 WeakPolarHBondContact O-CD2 3.37Å
900S82.3Confident79.4Confident67.75 Ų67.7569.4 Ų69.447%0.47435%0.349SS..Hα-helixtrans-58.2-29.7176.649.60000113.7E898 E903 A904E898-S900 WeakPolarHBondContact CB-OG 3.5Å; E898-S900 PolarHBondContact O-N 3.34Å; S900-E903 PolarHBondContact O-N 3.22Å; S900-A904 VanDerWaalsContact O-CB 3.3Å; S900-A904 WeakPolarHBondContact O-CB 3.39Å; S900-A904 PolarHBondContact O-N 3.09Å; S900-A904 VanDerWaalsContact O-N 3.08Å
901D84.2Confident79.9Confident54.25 Ų54.2568.6 Ų68.629%0.2935%0.348SS..Hα-helixtrans-69.4-45.5-177.1-54.8-29.9000110.3F896 R897 E898 P899 A904 A905F896-D901 HydrophobicContact CB-CB 4.13Å; F896-D901 VanDerWaalsContact CD1-C 3.5Å; F896-D901 HydrophobicContact CD1-CB 3.66Å; F896-D901 VanDerWaalsContact CE1-C 3.46Å; F896-D901 HydrophobicContact CE1-CB 4.23Å; F896-D901 VanDerWaalsContact CE1-O 3.25Å; F896-D901 WeakPolarHBondContact CE1-O 3.42Å; F896-D901 HydrophobicContact CG-CB 3.87Å; R897-D901 PolarHBondContact N-OD2 3.07Å; E898-D901 PolarHBondContact N-OD2 3.34Å; E898-D901 VanDerWaalsContact O-CB 3.31Å; E898-D901 WeakPolarHBondContact O-CB 3.33Å; E898-D901 PolarHBondContact O-N 2.97Å; P899-D901 PolarHBondContact O-N 3.28Å; D901-A904 PolarHBondContact O-N 3.08Å; D901-A905 WeakPolarHBondContact O-CB 3.38Å; D901-A905 PolarHBondContact O-N 3.15Å; D901-A905 VanDerWaalsContact O-N 3.15Å
902W85.9Confident80.2Confident6.5 Ų6.568.1 Ų68.13%0.02534%0.344CS..Hα-helixtrans-63.6-41.6172.7-74.3-86.1000111.9I892 F896 E898 P899 A904 A905 F906 T953 L954 L1016I892-W902 HydrophobicContact CG2-CZ2 4.33Å; F896-W902 HydrophobicContact CB-CD2 4.26Å; F896-W902 HydrophobicContact CB-CE3 4.26Å; F896-W902 HydrophobicContact CB-CH2 3.66Å; F896-W902 HydrophobicContact CB-CZ2 3.64Å; F896-W902 HydrophobicContact CB-CZ3 3.98Å; F896-W902 HydrophobicContact CD1-CB 4.4Å; F896-W902 AromaticContact CD1-CD1 3.84Å; F896-W902 AromaticContact CD1-CD2 3.66Å; F896-W902 HydrophobicContact CD1-CD2 3.66Å; F896-W902 AromaticContact CD1-CE2 3.75Å; F896-W902 HydrophobicContact CD1-CE3 4.17Å; F896-W902 AromaticContact CD1-CG 3.74Å; F896-W902 HydrophobicContact CD1-CG 3.74Å; F896-W902 HydrophobicContact CD1-CZ2 4.28Å; F896-W902 AromaticContact CD1-NE1 3.84Å; F896-W902 HydrophobicContact CE1-CB 4.49Å; F896-W902 HydrophobicContact CE1-CD2 4.41Å; F896-W902 HydrophobicContact CE1-CG 4.2Å; F896-W902 HydrophobicContact CG-CD2 4.46Å; F896-W902 HydrophobicContact CG-CZ2 4.43Å; F896-W902 WeakPolarHBondContact O-CH2 3.41Å; E898-W902 VanDerWaalsContact O-CE3 3.26Å; E898-W902 WeakPolarHBondContact O-CZ3 3.36Å; P899-W902 PolarHBondContact O-N 3.18Å; W902-A904 VanDerWaalsContact C-N 3.35Å; W902-A904 PolarHBondContact O-N 3.35Å; W902-A905 PolarHBondContact O-N 3.16Å; W902-F906 HydrophobicContact CB-CD2 4.39Å; W902-F906 HydrophobicContact CB-CE2 4.27Å; W902-F906 WeakPolarHBondContact O-CD2 3.47Å; W902-F906 WeakPolarHBondContact O-CG 3.37Å; W902-F906 PolarHBondContact O-N 3.28Å; W902-T953 PolarHBondContact NE1-OG1 2.89Å; W902-L954 HydrophobicContact CB-CD1 4.37Å; W902-L954 HydrophobicContact CB-CD2 4.49Å; W902-L954 HydrophobicContact CD2-CD1 3.87Å; W902-L954 HydrophobicContact CE3-CD1 4.28Å; W902-L954 HydrophobicContact CG-CB 4.26Å; W902-L954 HydrophobicContact CG-CD1 3.94Å; W902-L954 HydrophobicContact CG-CG 4.42Å; W902-L1016 HydrophobicContact CB-CD2 3.74Å
903E83.7Confident80.4Confident83 Ų8368.9 Ų68.939%0.38835%0.354SS..Hα-helixtrans-64.4-40.6-179.4-161.4-170.9178.500112.3P899 S900 F906 R907 L1016P899-E903 PolarHBondContact O-N 3.18Å; P899-E903 VanDerWaalsContact O-N 3.16Å; S900-E903 PolarHBondContact O-N 3.22Å; E903-F906 PolarHBondContact O-N 3.23Å; E903-R907 VanDerWaalsContact CD-NH2 3.28Å; E903-R907 WeakPolarHBondContact O-CB 3.17Å; E903-R907 WeakPolarHBondContact O-CG 3.32Å; E903-R907 PolarHBondContact O-N 3.02Å; E903-R907 VanDerWaalsContact O-N 3.09Å; E903-R907 IonicContact OE1-CZ 2.78Å; E903-R907 IonicContact OE1-NE 3.35Å; E903-R907 PolarHBondContact OE1-NE 3.35Å; E903-R907 IonicContact OE1-NH2 3Å; E903-R907 PolarHBondContact OE1-NH2 3.35Å; E903-R907 IonicContact OE2-CZ 3.16Å; E903-R907 IonicContact OE2-NH2 3.46Å; E903-R907 PolarHBondContact OE2-NH2 3.09Å; E903-L1016 HydrophobicContact CB-CD1 4.05Å; E903-L1016 HydrophobicContact CB-CD2 4.27Å; E903-L1016 HydrophobicContact CG-CD1 4.01Å
904A82.8Confident80.9Confident53.5 Ų53.570.9 Ų70.944%0.44235%0.347SS..Hα-helixtrans-63-44.9174.800000111.5S900 D901 W902 F906 R907 E908S900-A904 VanDerWaalsContact O-CB 3.3Å; S900-A904 WeakPolarHBondContact O-CB 3.39Å; S900-A904 PolarHBondContact O-N 3.09Å; S900-A904 VanDerWaalsContact O-N 3.08Å; D901-A904 PolarHBondContact O-N 3.08Å; W902-A904 VanDerWaalsContact C-N 3.35Å; W902-A904 PolarHBondContact O-N 3.35Å; A904-F906 PolarHBondContact O-N 3.17Å; A904-R907 WeakPolarHBondContact O-CB 3.37Å; A904-R907 PolarHBondContact O-N 3.15Å; A904-E908 PolarHBondContact O-N 3.04Å; A904-E908 VanDerWaalsContact O-N 3.12Å
905A82.5Confident81Confident5 Ų569.2 Ų69.24%0.04134%0.337CS..Hα-helixtrans-63.3-43178.200000112.5L880 I882 F896 D901 W902 R907 E908 I909 L950L880-A905 HydrophobicContact CD2-CB 4.48Å; I882-A905 HydrophobicContact CD1-CB 4.25Å; F896-A905 HydrophobicContact CE1-CB 3.84Å; F896-A905 HydrophobicContact CZ-CB 3.85Å; D901-A905 WeakPolarHBondContact O-CB 3.38Å; D901-A905 PolarHBondContact O-N 3.15Å; D901-A905 VanDerWaalsContact O-N 3.15Å; W902-A905 PolarHBondContact O-N 3.16Å; A905-R907 VanDerWaalsContact C-N 3.34Å; A905-R907 PolarHBondContact O-N 3.18Å; A905-E908 WeakPolarHBondContact O-CB 3.01Å; A905-E908 PolarHBondContact O-N 3.04Å; A905-I909 WeakPolarHBondContact O-CG1 3.4Å; A905-I909 PolarHBondContact O-N 3.06Å; A905-I909 VanDerWaalsContact O-N 3.14Å; A905-L950 HydrophobicContact CB-CD1 3.73Å; A905-L950 HydrophobicContact CB-CD2 3.96Å; A905-L950 HydrophobicContact CB-CG 4.48Å
906F85.4Confident81.2Confident18.5 Ų18.562.5 Ų62.58%0.08131%0.309CS..Hα-helixtrans-62.6-39174.6-77.1-56.3000112.5W902 E903 A904 E908 I909 K910 Y947 L950 L951 L954 V1020W902-F906 HydrophobicContact CB-CD2 4.39Å; W902-F906 HydrophobicContact CB-CE2 4.27Å; W902-F906 WeakPolarHBondContact O-CD2 3.47Å; W902-F906 WeakPolarHBondContact O-CG 3.37Å; W902-F906 PolarHBondContact O-N 3.28Å; E903-F906 PolarHBondContact O-N 3.23Å; A904-F906 PolarHBondContact O-N 3.17Å; F906-E908 VanDerWaalsContact C-N 3.32Å; F906-E908 PolarHBondContact O-N 3.43Å; F906-I909 PolarHBondContact O-N 3.48Å; F906-K910 WeakPolarHBondContact O-CB 3.26Å; F906-K910 PolarHBondContact O-N 3.22Å; F906-K910 VanDerWaalsContact O-N 3.16Å; F906-Y947 AromaticContact CD1-CD2 3.62Å; F906-Y947 HydrophobicContact CD1-CD2 3.62Å; F906-Y947 AromaticContact CD1-CE2 3.52Å; F906-Y947 HydrophobicContact CD1-CE2 3.52Å; F906-Y947 VanDerWaalsContact CD1-CE2 3.5Å; F906-Y947 AromaticContact CE1-CD2 3.75Å; F906-Y947 HydrophobicContact CE1-CD2 3.75Å; F906-Y947 AromaticContact CE1-CE2 3.69Å; F906-Y947 HydrophobicContact CE1-CE2 3.69Å; F906-Y947 HydrophobicContact CE1-CG 4.33Å; F906-L950 HydrophobicContact CD1-CB 4.35Å; F906-L950 HydrophobicContact CD1-CD1 4.11Å; F906-L950 HydrophobicContact CE1-CB 3.58Å; F906-L950 HydrophobicContact CE1-CD1 4.15Å; F906-L950 HydrophobicContact CE2-CB 4.37Å; F906-L950 HydrophobicContact CZ-CB 3.58Å; F906-L951 HydrophobicContact CE1-CG 4.27Å; F906-L951 HydrophobicContact CZ-CB 4.46Å; F906-L951 HydrophobicContact CZ-CD2 4.28Å; F906-L951 HydrophobicContact CZ-CG 4.11Å; F906-L954 HydrophobicContact CE2-CD2 4.16Å; F906-V1020 HydrophobicContact CD1-CG1 4.13Å; F906-V1020 HydrophobicContact CD2-CG1 4.26Å; F906-V1020 HydrophobicContact CD2-CG2 3.98Å; F906-V1020 HydrophobicContact CE1-CG1 3.84Å; F906-V1020 HydrophobicContact CE2-CB 4.42Å; F906-V1020 HydrophobicContact CE2-CG1 3.99Å; F906-V1020 HydrophobicContact CE2-CG2 4.07Å; F906-V1020 HydrophobicContact CG-CG1 4.29Å; F906-V1020 HydrophobicContact CG-CG2 4.41Å; F906-V1020 HydrophobicContact CZ-CG1 3.77Å
907R83.9Confident81.1Confident146.75 Ų146.7567.7 Ų67.755%0.55433%0.333SS*.Hα-helixtrans-63.5-42.2174.8-78-174-120.1169.2-3111.8E903 A904 A905 K910 I911E903-R907 VanDerWaalsContact CD-NH2 3.28Å; E903-R907 WeakPolarHBondContact O-CB 3.17Å; E903-R907 WeakPolarHBondContact O-CG 3.32Å; E903-R907 PolarHBondContact O-N 3.02Å; E903-R907 VanDerWaalsContact O-N 3.09Å; E903-R907 IonicContact OE1-CZ 2.78Å; E903-R907 IonicContact OE1-NE 3.35Å; E903-R907 PolarHBondContact OE1-NE 3.35Å; E903-R907 IonicContact OE1-NH2 3Å; E903-R907 PolarHBondContact OE1-NH2 3.35Å; E903-R907 IonicContact OE2-CZ 3.16Å; E903-R907 IonicContact OE2-NH2 3.46Å; E903-R907 PolarHBondContact OE2-NH2 3.09Å; A904-R907 WeakPolarHBondContact O-CB 3.37Å; A904-R907 PolarHBondContact O-N 3.15Å; A905-R907 VanDerWaalsContact C-N 3.34Å; A905-R907 PolarHBondContact O-N 3.18Å; R907-K910 WeakPolarHBondContact O-CB 3.4Å; R907-K910 PolarHBondContact O-N 3.06Å; R907-I911 VanDerWaalsContact O-CG1 3.3Å; R907-I911 WeakPolarHBondContact O-CG1 3.39Å; R907-I911 PolarHBondContact O-N 3.14Å; R907-I911 VanDerWaalsContact O-N 3.1Å
908E80.2Confident81.4Confident60.75 Ų60.7567.1 Ų67.128%0.28434%0.336SS..Hα-helixtrans-65.5-43.3180-148.1122.4165.200112.3L880 A904 A905 F906 K910 I911 R912L880-E908 HydrophobicContact CD1-CB 3.98Å; L880-E908 HydrophobicContact CD1-CG 3.39Å; L880-E908 HydrophobicContact CD2-CG 4.46Å; L880-E908 HydrophobicContact CG-CG 3.88Å; A904-E908 PolarHBondContact O-N 3.04Å; A904-E908 VanDerWaalsContact O-N 3.12Å; A905-E908 WeakPolarHBondContact O-CB 3.01Å; A905-E908 PolarHBondContact O-N 3.04Å; F906-E908 VanDerWaalsContact C-N 3.32Å; F906-E908 PolarHBondContact O-N 3.43Å; E908-K910 VanDerWaalsContact C-N 3.26Å; E908-K910 PolarHBondContact O-N 2.84Å; E908-I911 PolarHBondContact O-N 3.15Å; E908-R912 WeakPolarHBondContact O-CB 3.2Å; E908-R912 WeakPolarHBondContact O-CG 3.26Å; E908-R912 PolarHBondContact O-N 3.25Å; E908-R912 IonicContact OE1-CZ 3.34Å; E908-R912 IonicContact OE1-NE 2.78Å; E908-R912 PolarHBondContact OE1-NE 3.43Å; E908-R912 IonicContact OE1-NH1 3.57Å; E908-R912 PolarHBondContact OE1-NH1 3.37Å; E908-R912 IonicContact OE1-NH2 3.33Å; E908-R912 PolarHBondContact OE1-NH2 3.23Å; E908-R912 IonicContact OE2-NH1 3.44Å
909I82.1Confident81.3Confident14 Ų1464.3 Ų64.37%0.07232%0.323CS..Hα-helixtrans-57.1-42.8173.1-69.5178.6000110.5L880 I883 A905 F906 I911 R912 G913 L943 A946 Y947 L950L880-I909 HydrophobicContact CD1-CG1 4.2Å; I883-I909 HydrophobicContact CD1-CD1 4.41Å; I883-I909 HydrophobicContact CD1-CG1 3.57Å; I883-I909 HydrophobicContact CG1-CG1 4.35Å; A905-I909 WeakPolarHBondContact O-CG1 3.4Å; A905-I909 PolarHBondContact O-N 3.06Å; A905-I909 VanDerWaalsContact O-N 3.14Å; F906-I909 PolarHBondContact O-N 3.48Å; I909-I911 PolarHBondContact O-N 3.3Å; I909-R912 PolarHBondContact O-N 3.22Å; I909-G913 PolarHBondContact O-N 3.16Å; I909-L943 HydrophobicContact CG2-CB 4.48Å; I909-L943 HydrophobicContact CG2-CD2 4.44Å; I909-A946 HydrophobicContact CD1-CB 3.93Å; I909-Y947 HydrophobicContact CG2-CD2 4.4Å; I909-L950 HydrophobicContact CD1-CD1 3.41Å; I909-L950 VanDerWaalsContact CD1-CD1 3.44Å; I909-L950 HydrophobicContact CD1-CG 4.49Å; I909-L950 HydrophobicContact CG1-CD1 4.46Å
910K82.1Confident81.3Confident146.75 Ų146.7566 Ų6664%0.63833%0.334SS*.Hα-helixtrans-66.5-38179.5-169.4173.7-176.4172.20113F906 R907 E908 K914F906-K910 WeakPolarHBondContact O-CB 3.26Å; F906-K910 PolarHBondContact O-N 3.22Å; F906-K910 VanDerWaalsContact O-N 3.16Å; R907-K910 WeakPolarHBondContact O-CB 3.4Å; R907-K910 PolarHBondContact O-N 3.06Å; E908-K910 VanDerWaalsContact C-N 3.26Å; E908-K910 PolarHBondContact O-N 2.84Å; K910-K914 WeakPolarHBondContact O-CG 3.44Å; K910-K914 PolarHBondContact O-N 3.26Å; K910-K914 VanDerWaalsContact O-N 3.09Å
911I82Confident81.3Confident112 Ų11271.7 Ų71.757%0.57435%0.345SS*.Hα-helixtrans-65.7-44.3176-68.7166.8000110.2R907 E908 I909 K914 A915R907-I911 VanDerWaalsContact O-CG1 3.3Å; R907-I911 WeakPolarHBondContact O-CG1 3.39Å; R907-I911 PolarHBondContact O-N 3.14Å; R907-I911 VanDerWaalsContact O-N 3.1Å; E908-I911 PolarHBondContact O-N 3.15Å; I909-I911 PolarHBondContact O-N 3.3Å; I911-K914 PolarHBondContact O-N 3.32Å; I911-A915 PolarHBondContact O-N 3.17Å; I911-A915 VanDerWaalsContact O-N 3.12Å
912R76.5Confident81.3Confident21.75 Ų21.7572 Ų728%0.08235%0.352CS..Hα-helixtrans-68.4-38.2178.3-68.2-174.3-176.6143.39.5112.8L875 D879 L880 E908 I909 K914 A915 M916 L943L875-R912 WeakPolarHBondContact O-CD 3.36Å; L875-R912 PolarHBondContact O-NE 3.33Å; L875-R912 PolarHBondContact O-NH1 3.01Å; D879-R912 IonicContact OD2-NH2 2.82Å; L880-R912 VanDerWaalsContact CD2-CZ 3.42Å; E908-R912 WeakPolarHBondContact O-CB 3.2Å; E908-R912 WeakPolarHBondContact O-CG 3.26Å; E908-R912 PolarHBondContact O-N 3.25Å; E908-R912 IonicContact OE1-CZ 3.34Å; E908-R912 IonicContact OE1-NE 2.78Å; E908-R912 PolarHBondContact OE1-NE 3.43Å; E908-R912 IonicContact OE1-NH1 3.57Å; E908-R912 PolarHBondContact OE1-NH1 3.37Å; E908-R912 IonicContact OE1-NH2 3.33Å; E908-R912 PolarHBondContact OE1-NH2 3.23Å; E908-R912 IonicContact OE2-NH1 3.44Å; I909-R912 PolarHBondContact O-N 3.22Å; R912-K914 VanDerWaalsContact C-N 3.32Å; R912-K914 PolarHBondContact O-N 3.09Å; R912-A915 CarbonylContact O-C 3.58Å; R912-A915 WeakPolarHBondContact O-CA 3.33Å; R912-A915 WeakPolarHBondContact O-CB 3.42Å; R912-A915 PolarHBondContact O-N 3.24Å; R912-A915 VanDerWaalsContact O-N 3.09Å; R912-M916 WeakPolarHBondContact O-CG 3.36Å; R912-M916 PolarHBondContact O-N 3.09Å; R912-L943 HydrophobicContact CB-CD1 4.43Å; R912-L943 HydrophobicContact CB-CD2 4.16Å
913G81.1Confident81.1Confident23.25 Ų23.2572.7 Ų72.724%0.2436%0.356CS..Hα-helixtrans-56.1-45.717200000112.1I909 A915 M916 E917I909-G913 PolarHBondContact O-N 3.16Å; G913-A915 VanDerWaalsContact C-N 3.29Å; G913-A915 PolarHBondContact O-N 3.17Å; G913-M916 PolarHBondContact O-N 3.15Å; G913-M916 VanDerWaalsContact O-N 3.14Å; G913-E917 PolarHBondContact O-N 3.21Å; G913-E917 VanDerWaalsContact O-N 3.09Å
914K81.5Confident80.9Confident126.75 Ų126.7574.5 Ų74.555%0.55137%0.366SS*.Hα-helixtrans-65-28.7174.7-72.6-175.5176.2-170.90114.1K910 I911 R912K910-K914 WeakPolarHBondContact O-CG 3.44Å; K910-K914 PolarHBondContact O-N 3.26Å; K910-K914 VanDerWaalsContact O-N 3.09Å; I911-K914 PolarHBondContact O-N 3.32Å; R912-K914 VanDerWaalsContact C-N 3.32Å; R912-K914 PolarHBondContact O-N 3.09Å
915A77.6Confident80.6Confident38.75 Ų38.7572.5 Ų72.532%0.3235%0.349SS..Hα-helixtrans-73.7-37.1174.700000111.4L875 I911 R912 G913 E917 K918L875-A915 HydrophobicContact CD1-CB 4.23Å; L875-A915 HydrophobicContact CD2-CB 3.99Å; I911-A915 PolarHBondContact O-N 3.17Å; I911-A915 VanDerWaalsContact O-N 3.12Å; R912-A915 CarbonylContact O-C 3.58Å; R912-A915 WeakPolarHBondContact O-CA 3.33Å; R912-A915 WeakPolarHBondContact O-CB 3.42Å; R912-A915 PolarHBondContact O-N 3.24Å; R912-A915 VanDerWaalsContact O-N 3.09Å; G913-A915 VanDerWaalsContact C-N 3.29Å; G913-A915 PolarHBondContact O-N 3.17Å; A915-E917 VanDerWaalsContact C-N 3.34Å; A915-E917 PolarHBondContact O-N 2.75Å; A915-K918 WeakPolarHBondContact O-CB 3.4Å; A915-K918 PolarHBondContact O-N 3.07Å
916M77Confident80Confident7.5 Ų7.576.1 Ų76.14%0.03737%0.373CS..Hα-helixtrans-67.3-34175.5-68.7-63.173.800113.3M872 L875 F876 R912 G913 K918 M919 K936 A939 L943M872-M916 HydrophobicContact CE-SD 4.18Å; M872-M916 HydrophobicContact SD-CE 4.24Å; M872-M916 HydrophobicContact SD-SD 4.36Å; L875-M916 HydrophobicContact CB-CE 4.22Å; L875-M916 HydrophobicContact CD1-CE 3.63Å; L875-M916 VanDerWaalsContact CD1-CE 3.48Å; L875-M916 HydrophobicContact CD2-CE 3.71Å; L875-M916 HydrophobicContact CD2-CG 4.2Å; L875-M916 HydrophobicContact CD2-SD 3.74Å; L875-M916 VanDerWaalsContact CD2-SD 3.57Å; L875-M916 HydrophobicContact CG-CE 4.11Å; F876-M916 HydrophobicContact CE2-SD 4.03Å; F876-M916 HydrophobicContact CZ-SD 4.17Å; R912-M916 WeakPolarHBondContact O-CG 3.36Å; R912-M916 PolarHBondContact O-N 3.09Å; G913-M916 PolarHBondContact O-N 3.15Å; G913-M916 VanDerWaalsContact O-N 3.14Å; M916-K918 PolarHBondContact O-N 3.18Å; M916-M919 HydrophobicContact CE-SD 4.14Å; M916-M919 VanDerWaalsContact O-CB 3.29Å; M916-M919 WeakPolarHBondContact O-CB 3.35Å; M916-M919 PolarHBondContact O-N 3.31Å; M916-M919 VanDerWaalsContact O-N 3.08Å; M916-K936 HydrophobicContact CE-CG 4.34Å; M916-K936 WeakPolarHBondContact O-CE 3.33Å; M916-A939 HydrophobicContact CE-CB 3.39Å; M916-A939 HydrophobicContact CG-CB 4.28Å; M916-A939 HydrophobicContact SD-CB 3.79Å; M916-A939 VanDerWaalsContact SD-CB 3.59Å; M916-L943 HydrophobicContact CG-CD1 4.06Å
917E78.1Confident79.3Confident135.75 Ų135.7576.3 Ų76.363%0.63438%0.377SS*.Hα-helixtrans-60.3-28.9173.7-75.3177.8173.800113G913 A915 M919G913-E917 PolarHBondContact O-N 3.21Å; G913-E917 VanDerWaalsContact O-N 3.09Å; A915-E917 VanDerWaalsContact C-N 3.34Å; A915-E917 PolarHBondContact O-N 2.75Å; E917-M919 VanDerWaalsContact C-N 3.27Å; E917-M919 PolarHBondContact O-N 2.83Å
918K80.3Confident79.1Confident180.75 Ų180.7569.4 Ų69.479%0.78635%0.351SS*.THydrogen-bonded Turntrans-81.2-5.5-179.9-65.5-179.7-179.4-177.70114.1A915 M916A915-K918 WeakPolarHBondContact O-CB 3.4Å; A915-K918 PolarHBondContact O-N 3.07Å; M916-K918 PolarHBondContact O-N 3.18Å
919M77.3Confident79.3Confident23 Ų2368.5 Ų68.511%0.11335%0.349CS..SBendtrans-68.9128.7179.2-164.1171.8-162.200110.3Y868 M872 M916 E917 T932 L935 K936Y868-M919 HydrophobicContact CD1-CE 4.08Å; Y868-M919 VanDerWaalsContact CD1-CE 3.5Å; Y868-M919 HydrophobicContact CE1-CE 4.07Å; M872-M919 HydrophobicContact CE-CE 4.29Å; M872-M919 HydrophobicContact CE-SD 4.49Å; M872-M919 HydrophobicContact CG-CE 4.47Å; M872-M919 HydrophobicContact SD-CE 4.46Å; M916-M919 HydrophobicContact CE-SD 4.14Å; M916-M919 VanDerWaalsContact O-CB 3.29Å; M916-M919 WeakPolarHBondContact O-CB 3.35Å; M916-M919 PolarHBondContact O-N 3.31Å; M916-M919 VanDerWaalsContact O-N 3.08Å; E917-M919 VanDerWaalsContact C-N 3.27Å; E917-M919 PolarHBondContact O-N 2.83Å; M919-T932 HydrophobicContact CE-CG2 4.07Å; M919-L935 HydrophobicContact CE-CD2 3.71Å; M919-L935 HydrophobicContact CE-CG 4.34Å; M919-L935 HydrophobicContact SD-CD2 4.46Å; M919-K936 HydrophobicContact SD-CB 4.44Å
920P81.4Confident79.5Confident58.75 Ų58.7567.9 Ų67.938%0.38135%0.346SS..  trans-63.3151.9176.326.6-33.4000110.3Y868 S922 I923 T932Y868-P920 WeakPolarHBondContact OH-CG 3.32Å; P920-S922 VanDerWaalsContact C-N 3.27Å; P920-S922 PolarHBondContact O-N 2.73Å; P920-I923 HydrophobicContact CG-CG1 4.3Å; P920-T932 PolarHBondContact O-OG1 3.23Å
921R81.5Confident79.8Confident187.75 Ų187.7563.9 Ų63.971%0.70833%0.332SS*.SBendtrans-75.6-24.8179.2-67.2-175.6174.8167.3-0.6113.9N931 T932R921-N931 PolarHBondContact O-OD1 2.95Å; R921-T932 WeakPolarHBondContact CA-OG1 3.4Å; R921-T932 PolarHBondContact O-N 3.21Å; R921-T932 PolarHBondContact O-OG1 3.26Å
922S83.9Confident79.9Confident62.25 Ų62.2558.6 Ų58.644%0.43531%0.305SS..EExtended strand (participates in β ladder)trans-152.7144.6178.259.10000110.6P920 I930 T932P920-S922 VanDerWaalsContact C-N 3.27Å; P920-S922 PolarHBondContact O-N 2.73Å; S922-I930 CarbonylContact C-O 3.47Å; S922-I930 VanDerWaalsContact CA-O 3.25Å; S922-I930 WeakPolarHBondContact CA-O 3.33Å; S922-T932 PolarHBondContact N-OG1 3.27Å
923I83.1Confident80.3Confident21 Ų2160.6 Ų60.611%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-113.5130.7175.3-55.5157.1000107.3V864 Y868 P920 V925 I930 T932V864-I923 HydrophobicContact CG1-CG2 4.39Å; Y868-I923 HydrophobicContact CD1-CD1 4.2Å; Y868-I923 HydrophobicContact CD2-CD1 3.89Å; Y868-I923 HydrophobicContact CE1-CD1 3.84Å; Y868-I923 HydrophobicContact CE1-CG1 4.45Å; Y868-I923 HydrophobicContact CE2-CD1 3.38Å; Y868-I923 VanDerWaalsContact CE2-CD1 3.45Å; Y868-I923 HydrophobicContact CE2-CG1 4.22Å; Y868-I923 HydrophobicContact CE2-CG2 4.3Å; Y868-I923 HydrophobicContact CG-CD1 4.26Å; Y868-I923 VanDerWaalsContact CZ-CD1 3.42Å; Y868-I923 WeakPolarHBondContact OH-CD1 3.31Å; P920-I923 HydrophobicContact CG-CG1 4.3Å; I923-V925 HydrophobicContact CG2-CG2 4.06Å; I923-I930 HydrophobicContact CB-CB 4.39Å; I923-I930 PolarHBondContact N-O 3.15Å; I923-I930 PolarHBondContact O-N 3.26Å; I923-T932 HydrophobicContact CD1-CG2 3.51Å; I923-T932 VanDerWaalsContact CD1-CG2 3.46Å; I923-T932 HydrophobicContact CG1-CG2 4.02Å
924I79.7Confident80.4Confident119.25 Ų119.2561.4 Ų61.461%0.61232%0.316SS*.EExtended strand (participates in β ladder)trans-105.1116.5175.8-55.9175.8000107.6C926 M928 V929I924-C926 WeakPolarHBondContact CG2-O 3.4Å; I924-M928 WeakPolarHBondContact CA-O 3.36Å; I924-V929 HydrophobicContact CG1-CG2 4.43Å
925V75.1Confident80.4Confident11.25 Ų11.2555.5 Ų55.57%0.06829%0.29CS..EExtended strand (participates in β ladder)trans-113.4102.3172.4-174.60000106.9F857 Q860 L861 V864 I923 S927 M928 I930F857-V925 HydrophobicContact CD1-CG1 4.3Å; F857-V925 HydrophobicContact CE1-CB 4.3Å; F857-V925 HydrophobicContact CE1-CG1 3.9Å; F857-V925 VanDerWaalsContact CE1-O 3.27Å; F857-V925 WeakPolarHBondContact CE1-O 3.42Å; F857-V925 HydrophobicContact CE2-CG1 4.28Å; F857-V925 WeakPolarHBondContact CE2-O 3.33Å; F857-V925 WeakPolarHBondContact CZ-O 3.34Å; Q860-V925 HydrophobicContact CB-CG1 4.46Å; L861-V925 HydrophobicContact CD1-CB 4.15Å; L861-V925 HydrophobicContact CD1-CG1 4.27Å; L861-V925 HydrophobicContact CD1-CG2 4.39Å; V864-V925 HydrophobicContact CB-CG2 4.26Å; V864-V925 HydrophobicContact CG1-CG2 4.15Å; V864-V925 HydrophobicContact CG2-CG2 4.35Å; I923-V925 HydrophobicContact CG2-CG2 4.06Å; V925-S927 PolarHBondContact O-N 3Å; V925-S927 VanDerWaalsContact O-N 3.1Å; V925-M928 PolarHBondContact N-O 3.09Å; V925-M928 WeakPolarHBondContact O-CB 3.32Å; V925-M928 PolarHBondContact O-N 3.21Å; V925-I930 HydrophobicContact CG2-CD1 4.17Å
926C71Confident80.6Confident82.25 Ų82.2555 Ų5556%0.55628%0.281SS*.THydrogen-bonded Turntrans52.4-108.1-173.7-57.90000112.1F857 I924F857-C926 HydrophobicContact CD1-CB 4.24Å; F857-C926 HydrophobicContact CD2-CB 3.91Å; F857-C926 HydrophobicContact CE1-CB 3.93Å; F857-C926 HydrophobicContact CE2-CB 3.95Å; F857-C926 HydrophobicContact CG-CB 4.41Å; F857-C926 HydrophobicContact CZ-CB 3.75Å; I924-C926 WeakPolarHBondContact CG2-O 3.4Å
927S70.5Confident80.9Confident22.75 Ų22.7558.3 Ų58.316%0.15930%0.302CS..THydrogen-bonded Turntrans-97.43178.93.90000113.4N778 S783 L784 F857 V925N778-S927 PolarHBondContact O-OG 3.29Å; N778-S927 VanDerWaalsContact O-OG 3.06Å; S783-S927 CarbonylContact C-O 3.53Å; S783-S927 WeakPolarHBondContact CA-O 3.43Å; S783-S927 VanDerWaalsContact CB-O 3.32Å; S783-S927 WeakPolarHBondContact CB-O 3.3Å; L784-S927 PolarHBondContact N-O 3.28Å; L784-S927 VanDerWaalsContact N-O 3.08Å; F857-S927 WeakPolarHBondContact CE2-OG 3.39Å; V925-S927 PolarHBondContact O-N 3Å; V925-S927 VanDerWaalsContact O-N 3.1Å
928M79.3Confident80.9Confident0.75 Ų0.7553.4 Ų53.40%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-102127.6178.1-123.2148.2138.100111.7L784 A786 L797 L804 Y808 F857 F858 L861 I924 V925 I930L784-M928 HydrophobicContact CB-CG 4.12Å; L784-M928 HydrophobicContact CB-SD 3.62Å; L784-M928 VanDerWaalsContact CB-SD 3.58Å; L784-M928 HydrophobicContact CD1-CE 3.92Å; L784-M928 HydrophobicContact CD1-CG 4.44Å; L784-M928 HydrophobicContact CD1-SD 4.28Å; L784-M928 CarbonylContact O-C 3.57Å; L784-M928 VanDerWaalsContact O-CA 3.28Å; L784-M928 WeakPolarHBondContact O-CA 3.4Å; L784-M928 WeakPolarHBondContact O-CG 3.25Å; A786-M928 HydrophobicContact CB-CG 4.47Å; A786-M928 HydrophobicContact CB-SD 4.29Å; L797-M928 HydrophobicContact CD2-CE 4.49Å; L804-M928 HydrophobicContact CD1-CE 3.86Å; L804-M928 HydrophobicContact CD1-SD 4.05Å; L804-M928 HydrophobicContact CD2-SD 4.11Å; L804-M928 HydrophobicContact CG-SD 4.46Å; Y808-M928 HydrophobicContact CD2-CE 4.33Å; F857-M928 HydrophobicContact CE1-CB 4.3Å; F857-M928 HydrophobicContact CE1-CE 4.06Å; F857-M928 HydrophobicContact CE1-CG 4.23Å; F857-M928 HydrophobicContact CE1-SD 3.76Å; F857-M928 HydrophobicContact CE2-CB 4.33Å; F857-M928 HydrophobicContact CE2-CE 3.95Å; F857-M928 HydrophobicContact CE2-CG 4.49Å; F857-M928 HydrophobicContact CE2-SD 4.49Å; F857-M928 HydrophobicContact CZ-CB 3.98Å; F857-M928 HydrophobicContact CZ-CE 3.85Å; F857-M928 HydrophobicContact CZ-CG 3.59Å; F857-M928 HydrophobicContact CZ-SD 3.59Å; F857-M928 VanDerWaalsContact CZ-SD 3.52Å; F858-M928 HydrophobicContact CE1-CE 3.85Å; F858-M928 HydrophobicContact CE2-CE 4.2Å; F858-M928 HydrophobicContact CZ-CE 3.51Å; F858-M928 VanDerWaalsContact CZ-CE 3.45Å; L861-M928 HydrophobicContact CD1-CE 3.29Å; L861-M928 HydrophobicContact CD1-CG 4.49Å; L861-M928 HydrophobicContact CD2-CE 3.35Å; L861-M928 HydrophobicContact CD2-SD 3.85Å; L861-M928 HydrophobicContact CG-CE 3.92Å; I924-M928 WeakPolarHBondContact CA-O 3.36Å; V925-M928 PolarHBondContact N-O 3.09Å; V925-M928 WeakPolarHBondContact O-CB 3.32Å; V925-M928 PolarHBondContact O-N 3.21Å; M928-I930 HydrophobicContact CG-CG1 4.09Å
929V84.9Confident80.7Confident42.75 Ų42.7544.8 Ų44.826%0.25925%0.247SC..EExtended strand (participates in β ladder)trans-103.9113.2173.8-1760000108.3L784 A786 I924L784-V929 PolarHBondContact O-N 3.22Å; A786-V929 PolarHBondContact N-O 3Å; I924-V929 HydrophobicContact CG1-CG2 4.43Å
930I86.2Confident80.9Confident0.75 Ų0.7547.5 Ų47.50%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-102113-178.3-53.1173.6000108.9A786 L788 L797 L861 L865 S922 I923 V925 M928 T932A786-I930 CarbonylContact O-C 3.58Å; A786-I930 VanDerWaalsContact O-CA 3.28Å; A786-I930 WeakPolarHBondContact O-CA 3.41Å; L788-I930 HydrophobicContact CD1-CG2 4.05Å; L788-I930 HydrophobicContact CD2-CG2 4.27Å; L788-I930 HydrophobicContact CG-CG2 3.65Å; L797-I930 HydrophobicContact CD1-CG2 4.02Å; L861-I930 HydrophobicContact CD1-CD1 3.69Å; L861-I930 VanDerWaalsContact CD1-CD1 3.44Å; L865-I930 HydrophobicContact CD2-CD1 4.3Å; S922-I930 CarbonylContact C-O 3.47Å; S922-I930 VanDerWaalsContact CA-O 3.25Å; S922-I930 WeakPolarHBondContact CA-O 3.33Å; I923-I930 HydrophobicContact CB-CB 4.39Å; I923-I930 PolarHBondContact N-O 3.15Å; I923-I930 PolarHBondContact O-N 3.26Å; V925-I930 HydrophobicContact CG2-CD1 4.17Å; M928-I930 HydrophobicContact CG-CG1 4.09Å; I930-T932 PolarHBondContact O-N 2.98Å
931N87.2Confident80.9Confident63.25 Ų63.2547.6 Ų47.634%0.33826%0.261SS..EExtended strand (participates in β ladder)trans-78.7121.4174.6-174.62.1000110.7A786 E787 L788 R921 E933A786-N931 PolarHBondContact O-N 3.15Å; E787-N931 CarbonylContact C-O 3.5Å; E787-N931 VanDerWaalsContact CA-O 3.26Å; E787-N931 WeakPolarHBondContact CA-O 3.31Å; E787-N931 HydrophobicContact CB-CB 4.07Å; L788-N931 PolarHBondContact N-O 3.38Å; R921-N931 PolarHBondContact O-OD1 2.95Å; N931-E933 VanDerWaalsContact OD1-CB 3.25Å; N931-E933 WeakPolarHBondContact OD1-CB 3.36Å; N931-E933 PolarHBondContact OD1-N 3.01Å
932T84.7Confident80.7Confident0.25 Ų0.2544.5 Ų44.50%0.00225%0.249CC..  trans-101.1-6.5-179.742.20000112.9L788 M919 P920 R921 S922 I923 I930 P934 L935 K936L788-T932 HydrophobicContact CD1-CG2 4.03Å; M919-T932 HydrophobicContact CE-CG2 4.07Å; P920-T932 PolarHBondContact O-OG1 3.23Å; R921-T932 WeakPolarHBondContact CA-OG1 3.4Å; R921-T932 PolarHBondContact O-N 3.21Å; R921-T932 PolarHBondContact O-OG1 3.26Å; S922-T932 PolarHBondContact N-OG1 3.27Å; I923-T932 HydrophobicContact CD1-CG2 3.51Å; I923-T932 VanDerWaalsContact CD1-CG2 3.46Å; I923-T932 HydrophobicContact CG1-CG2 4.02Å; I930-T932 PolarHBondContact O-N 2.98Å; T932-P934 VanDerWaalsContact C-CD 3.48Å; T932-L935 VanDerWaalsContact O-CB 3.31Å; T932-L935 WeakPolarHBondContact O-CB 3.25Å; T932-L935 PolarHBondContact O-N 3.05Å; T932-L935 VanDerWaalsContact O-N 3.14Å; T932-K936 PolarHBondContact O-N 3.16Å; T932-K936 VanDerWaalsContact O-N 3.17Å
933E84.3Confident80.5Confident64.75 Ų64.7542.2 Ų42.230%0.30323%0.232SC..Hα-helixtrans-58.1-42.9-178.4-164.467.7-164.400113.3N931 L935 K936 V937N931-E933 VanDerWaalsContact OD1-CB 3.25Å; N931-E933 WeakPolarHBondContact OD1-CB 3.36Å; N931-E933 PolarHBondContact OD1-N 3.01Å; E933-L935 VanDerWaalsContact C-N 3.27Å; E933-L935 PolarHBondContact O-N 3Å; E933-K936 WeakPolarHBondContact O-CB 3.27Å; E933-K936 PolarHBondContact O-N 3.35Å; E933-K936 VanDerWaalsContact O-N 3.11Å; E933-V937 HydrophobicContact CG-CG2 4.43Å; E933-V937 WeakPolarHBondContact O-CG2 3.35Å; E933-V937 PolarHBondContact O-N 3.16Å
934P83.9Confident80.6Confident40 Ų4045.9 Ų45.926%0.2625%0.249SC..Hα-helixtrans-61.7-35177.9-22.434.3000112.8E787 R789 T932 A938E787-P934 HydrophobicContact CB-CG 4.41Å; R789-P934 HydrophobicContact CG-CB 4.27Å; T932-P934 VanDerWaalsContact C-CD 3.48Å; P934-A938 WeakPolarHBondContact O-CB 3.31Å; P934-A938 PolarHBondContact O-N 3.02Å; P934-A938 VanDerWaalsContact O-N 3.08Å
935L81.6Confident80.6Confident1 Ų144.4 Ų44.41%0.00524%0.239CC..Hα-helixtrans-67.7-43.4175.5-176.261.8000111.3L788 L790 V795 M872 M919 T932 E933 A938 A939L788-L935 HydrophobicContact CB-CB 4.2Å; L788-L935 HydrophobicContact CB-CD2 4.02Å; L788-L935 HydrophobicContact CD1-CD2 4.22Å; L788-L935 WeakPolarHBondContact O-CB 3.42Å; L788-L935 PolarHBondContact O-N 3.29Å; L790-L935 HydrophobicContact CB-CD1 3.84Å; L790-L935 HydrophobicContact CD1-CD1 4.42Å; V795-L935 HydrophobicContact CG1-CD1 4.41Å; V795-L935 HydrophobicContact CG1-CD2 4Å; V795-L935 HydrophobicContact CG2-CD1 4.16Å; V795-L935 HydrophobicContact CG2-CD2 4.44Å; M872-L935 HydrophobicContact CE-CD1 3.57Å; M872-L935 VanDerWaalsContact CE-CD1 3.46Å; M872-L935 HydrophobicContact CE-CD2 3.92Å; M872-L935 HydrophobicContact CE-CG 3.73Å; M872-L935 VanDerWaalsContact CE-CG 3.47Å; M872-L935 HydrophobicContact CG-CD2 4.21Å; M872-L935 HydrophobicContact SD-CD2 4.16Å; M872-L935 HydrophobicContact SD-CG 4.39Å; M919-L935 HydrophobicContact CE-CD2 3.71Å; M919-L935 HydrophobicContact CE-CG 4.34Å; M919-L935 HydrophobicContact SD-CD2 4.46Å; T932-L935 VanDerWaalsContact O-CB 3.31Å; T932-L935 WeakPolarHBondContact O-CB 3.25Å; T932-L935 PolarHBondContact O-N 3.05Å; T932-L935 VanDerWaalsContact O-N 3.14Å; E933-L935 VanDerWaalsContact C-N 3.27Å; E933-L935 PolarHBondContact O-N 3Å; L935-A938 PolarHBondContact O-N 3.29Å; L935-A939 VanDerWaalsContact O-CB 3.28Å; L935-A939 WeakPolarHBondContact O-CB 3.34Å; L935-A939 PolarHBondContact O-N 3.27Å
936K80.7Confident80.9Confident29.75 Ų29.7544.1 Ų44.113%0.12924%0.238CC..Hα-helixtrans-62-47.7177.6-175.7-179.8175.3178.90111.9M916 M919 T932 E933 A938 A939 E940M916-K936 HydrophobicContact CE-CG 4.34Å; M916-K936 WeakPolarHBondContact O-CE 3.33Å; M919-K936 HydrophobicContact SD-CB 4.44Å; T932-K936 PolarHBondContact O-N 3.16Å; T932-K936 VanDerWaalsContact O-N 3.17Å; E933-K936 WeakPolarHBondContact O-CB 3.27Å; E933-K936 PolarHBondContact O-N 3.35Å; E933-K936 VanDerWaalsContact O-N 3.11Å; K936-A938 VanDerWaalsContact C-N 3.34Å; K936-A938 PolarHBondContact O-N 3.28Å; K936-A939 WeakPolarHBondContact O-CB 3.44Å; K936-A939 PolarHBondContact O-N 3.1Å; K936-A939 VanDerWaalsContact O-N 3.12Å; K936-E940 WeakPolarHBondContact CE-OE1 3.43Å; K936-E940 HydrophobicContact CG-CG 4.46Å; K936-E940 WeakPolarHBondContact O-CB 3.37Å; K936-E940 WeakPolarHBondContact O-CG 3.39Å; K936-E940 PolarHBondContact O-N 3.13Å
937V83.5Confident81.5Confident77.25 Ų77.2543.6 Ų43.647%0.46823%0.225SC..Hα-helixtrans-62.6-42178.3173.20000111.4E933 A939 E940 S941E933-V937 HydrophobicContact CG-CG2 4.43Å; E933-V937 WeakPolarHBondContact O-CG2 3.35Å; E933-V937 PolarHBondContact O-N 3.16Å; V937-A939 VanDerWaalsContact C-N 3.32Å; V937-A939 PolarHBondContact O-N 3.26Å; V937-E940 PolarHBondContact O-N 3.3Å; V937-S941 VanDerWaalsContact O-CB 3.29Å; V937-S941 WeakPolarHBondContact O-CB 3.36Å; V937-S941 PolarHBondContact O-N 3.36Å
938A79.1Confident82.3Confident32.25 Ų32.2547.1 Ų47.127%0.26724%0.239SC..Hα-helixtrans-63.5-39.7176.400000112L790 P934 L935 K936 R942L790-A938 HydrophobicContact CB-CB 4.22Å; L790-A938 HydrophobicContact CD2-CB 4.38Å; P934-A938 WeakPolarHBondContact O-CB 3.31Å; P934-A938 PolarHBondContact O-N 3.02Å; P934-A938 VanDerWaalsContact O-N 3.08Å; L935-A938 PolarHBondContact O-N 3.29Å; K936-A938 VanDerWaalsContact C-N 3.34Å; K936-A938 PolarHBondContact O-N 3.28Å; A938-R942 VanDerWaalsContact O-CG 3.3Å; A938-R942 WeakPolarHBondContact O-CG 3.27Å; A938-R942 PolarHBondContact O-N 3.27Å; A938-R942 VanDerWaalsContact O-N 3.12Å
939A76.1Confident82.5Confident0.5 Ų0.548.5 Ų48.50%0.00425%0.247CC..Hα-helixtrans-64.6-47.2175.600000112.7M872 F876 M916 L935 K936 V937 S941 R942 L943M872-A939 HydrophobicContact CE-CB 3.98Å; F876-A939 HydrophobicContact CE1-CB 4.4Å; F876-A939 HydrophobicContact CE2-CB 4.16Å; F876-A939 HydrophobicContact CZ-CB 3.48Å; M916-A939 HydrophobicContact CE-CB 3.39Å; M916-A939 HydrophobicContact CG-CB 4.28Å; M916-A939 HydrophobicContact SD-CB 3.79Å; M916-A939 VanDerWaalsContact SD-CB 3.59Å; L935-A939 VanDerWaalsContact O-CB 3.28Å; L935-A939 WeakPolarHBondContact O-CB 3.34Å; L935-A939 PolarHBondContact O-N 3.27Å; K936-A939 WeakPolarHBondContact O-CB 3.44Å; K936-A939 PolarHBondContact O-N 3.1Å; K936-A939 VanDerWaalsContact O-N 3.12Å; V937-A939 VanDerWaalsContact C-N 3.32Å; V937-A939 PolarHBondContact O-N 3.26Å; A939-S941 VanDerWaalsContact C-N 3.34Å; A939-S941 PolarHBondContact O-N 3.18Å; A939-R942 PolarHBondContact O-N 3.3Å; A939-L943 WeakPolarHBondContact O-CG 3.44Å; A939-L943 PolarHBondContact O-N 3.03Å; A939-L943 VanDerWaalsContact O-N 3.08Å
940E81.4Confident82.6Confident79.75 Ų79.7546.6 Ų46.637%0.37324%0.236SC..Hα-helixtrans-61.8-42.9177.2-73.7174177.600111.5K936 V937 R942 L943 Q944K936-E940 WeakPolarHBondContact CE-OE1 3.43Å; K936-E940 HydrophobicContact CG-CG 4.46Å; K936-E940 WeakPolarHBondContact O-CB 3.37Å; K936-E940 WeakPolarHBondContact O-CG 3.39Å; K936-E940 PolarHBondContact O-N 3.13Å; V937-E940 PolarHBondContact O-N 3.3Å; E940-R942 VanDerWaalsContact C-N 3.31Å; E940-R942 PolarHBondContact O-N 3.07Å; E940-L943 PolarHBondContact O-N 3.27Å; E940-Q944 WeakPolarHBondContact O-CB 3.18Å; E940-Q944 PolarHBondContact O-N 2.96Å
941S81.4Confident82.6Confident59.75 Ų59.7548.3 Ų48.342%0.41825%0.245SC..Hα-helixtrans-59.3-40.4175-178.50000112.2V937 A939 Q944 Q945V937-S941 VanDerWaalsContact O-CB 3.29Å; V937-S941 WeakPolarHBondContact O-CB 3.36Å; V937-S941 PolarHBondContact O-N 3.36Å; A939-S941 VanDerWaalsContact C-N 3.34Å; A939-S941 PolarHBondContact O-N 3.18Å; S941-Q944 PolarHBondContact O-N 3.13Å; S941-Q945 WeakPolarHBondContact O-CB 3.32Å; S941-Q945 VanDerWaalsContact O-CG 3.32Å; S941-Q945 WeakPolarHBondContact O-CG 3.36Å; S941-Q945 PolarHBondContact O-N 3.39Å
942R76.3Confident82.5Confident123.25 Ų123.2548.7 Ų48.747%0.46525%0.249SC..Hα-helixtrans-68.3-40.4176.3-72.5-65.5-170.7174.25.8113F876 I882 A938 A939 E940 Q944 Q945 A946F876-R942 HydrophobicContact CE1-CB 4.33Å; I882-R942 HydrophobicContact CG2-CB 4.21Å; A938-R942 VanDerWaalsContact O-CG 3.3Å; A938-R942 WeakPolarHBondContact O-CG 3.27Å; A938-R942 PolarHBondContact O-N 3.27Å; A938-R942 VanDerWaalsContact O-N 3.12Å; A939-R942 PolarHBondContact O-N 3.3Å; E940-R942 VanDerWaalsContact C-N 3.31Å; E940-R942 PolarHBondContact O-N 3.07Å; R942-Q944 VanDerWaalsContact C-N 3.31Å; R942-Q944 PolarHBondContact O-N 3.09Å; R942-Q945 PolarHBondContact O-N 3.14Å; R942-A946 WeakPolarHBondContact O-CB 3.46Å; R942-A946 PolarHBondContact O-N 3.16Å; R942-A946 VanDerWaalsContact O-N 3.08Å
943L80.4Confident82.5Confident13.5 Ų13.549.6 Ų49.67%0.07126%0.255CS..Hα-helixtrans-64.4-38.7175-71.5172.9000111.5I882 I883 I909 R912 M916 A939 E940 A946 Y947I882-L943 HydrophobicContact CD1-CD2 4.27Å; I883-L943 HydrophobicContact CD1-CD2 4.36Å; I909-L943 HydrophobicContact CG2-CB 4.48Å; I909-L943 HydrophobicContact CG2-CD2 4.44Å; R912-L943 HydrophobicContact CB-CD1 4.43Å; R912-L943 HydrophobicContact CB-CD2 4.16Å; M916-L943 HydrophobicContact CG-CD1 4.06Å; A939-L943 WeakPolarHBondContact O-CG 3.44Å; A939-L943 PolarHBondContact O-N 3.03Å; A939-L943 VanDerWaalsContact O-N 3.08Å; E940-L943 PolarHBondContact O-N 3.27Å; L943-A946 PolarHBondContact O-N 3.23Å; L943-Y947 WeakPolarHBondContact O-CB 3.33Å; L943-Y947 PolarHBondContact O-N 3.4Å
944Q84.5Confident82.6Confident98.25 Ų98.2546.5 Ų46.546%0.45924%0.24SC..Hα-helixtrans-65.7-45.4176.2-175.761.424.200111.7E940 S941 R942 A946 Y947 E948E940-Q944 WeakPolarHBondContact O-CB 3.18Å; E940-Q944 PolarHBondContact O-N 2.96Å; S941-Q944 PolarHBondContact O-N 3.13Å; R942-Q944 VanDerWaalsContact C-N 3.31Å; R942-Q944 PolarHBondContact O-N 3.09Å; Q944-A946 VanDerWaalsContact C-N 3.32Å; Q944-A946 PolarHBondContact O-N 3.06Å; Q944-Y947 WeakPolarHBondContact O-CB 3.38Å; Q944-Y947 PolarHBondContact O-N 3.27Å; Q944-Y947 VanDerWaalsContact O-N 3.15Å; Q944-E948 WeakPolarHBondContact CG-OE1 3.3Å; Q944-E948 PolarHBondContact NE2-OE1 3.15Å; Q944-E948 WeakPolarHBondContact O-CG 3.45Å; Q944-E948 PolarHBondContact O-N 3.11Å
945Q81.6Confident82.8Confident87.5 Ų87.550.9 Ų50.941%0.40925%0.252SS..Hα-helixtrans-56.8-46.2173.5-75.3173.32.600111.3S941 R942 Y947 E948 T949S941-Q945 WeakPolarHBondContact O-CB 3.32Å; S941-Q945 VanDerWaalsContact O-CG 3.32Å; S941-Q945 WeakPolarHBondContact O-CG 3.36Å; S941-Q945 PolarHBondContact O-N 3.39Å; R942-Q945 PolarHBondContact O-N 3.14Å; Q945-Y947 VanDerWaalsContact C-N 3.32Å; Q945-Y947 PolarHBondContact O-N 3.18Å; Q945-E948 PolarHBondContact O-N 3.16Å; Q945-T949 PolarHBondContact O-N 3.24Å; Q945-T949 PolarHBondContact O-OG1 3.02Å; Q945-T949 VanDerWaalsContact O-OG1 3.05Å
946A79.7Confident82.9Confident5.5 Ų5.555.9 Ų55.95%0.04528%0.278CS..Hα-helixtrans-62.6-38.517800000112.7I882 I883 L888 I909 R942 L943 Q944 T949 L950I882-A946 HydrophobicContact CD1-CB 4.18Å; I883-A946 HydrophobicContact CB-CB 4.49Å; I883-A946 HydrophobicContact CG1-CB 4.39Å; I883-A946 HydrophobicContact CG2-CB 3.63Å; L888-A946 HydrophobicContact CD2-CB 3.97Å; I909-A946 HydrophobicContact CD1-CB 3.93Å; R942-A946 WeakPolarHBondContact O-CB 3.46Å; R942-A946 PolarHBondContact O-N 3.16Å; R942-A946 VanDerWaalsContact O-N 3.08Å; L943-A946 PolarHBondContact O-N 3.23Å; Q944-A946 VanDerWaalsContact C-N 3.32Å; Q944-A946 PolarHBondContact O-N 3.06Å; A946-T949 PolarHBondContact O-N 2.99Å; A946-L950 WeakPolarHBondContact O-CB 3.26Å; A946-L950 WeakPolarHBondContact O-CG 3.27Å; A946-L950 PolarHBondContact O-N 3.04Å; A946-L950 VanDerWaalsContact O-N 3.09Å
947Y85.3Confident83.2Confident71.25 Ų71.2555.6 Ų55.628%0.27928%0.28SS..Hα-helixtrans-64.1-43.9175.9-174.6-92.3000112F906 I909 L943 Q944 Q945 L950 L951 V1020F906-Y947 AromaticContact CD1-CD2 3.62Å; F906-Y947 HydrophobicContact CD1-CD2 3.62Å; F906-Y947 AromaticContact CD1-CE2 3.52Å; F906-Y947 HydrophobicContact CD1-CE2 3.52Å; F906-Y947 VanDerWaalsContact CD1-CE2 3.5Å; F906-Y947 AromaticContact CE1-CD2 3.75Å; F906-Y947 HydrophobicContact CE1-CD2 3.75Å; F906-Y947 AromaticContact CE1-CE2 3.69Å; F906-Y947 HydrophobicContact CE1-CE2 3.69Å; F906-Y947 HydrophobicContact CE1-CG 4.33Å; I909-Y947 HydrophobicContact CG2-CD2 4.4Å; L943-Y947 WeakPolarHBondContact O-CB 3.33Å; L943-Y947 PolarHBondContact O-N 3.4Å; Q944-Y947 WeakPolarHBondContact O-CB 3.38Å; Q944-Y947 PolarHBondContact O-N 3.27Å; Q944-Y947 VanDerWaalsContact O-N 3.15Å; Q945-Y947 VanDerWaalsContact C-N 3.32Å; Q945-Y947 PolarHBondContact O-N 3.18Å; Y947-L950 PolarHBondContact O-N 3.29Å; Y947-L951 HydrophobicContact CD1-CD1 3.77Å; Y947-L951 HydrophobicContact CD1-CG 4.41Å; Y947-L951 HydrophobicContact CE1-CD1 3.51Å; Y947-L951 VanDerWaalsContact CE1-CD1 3.42Å; Y947-L951 HydrophobicContact CE1-CG 4.15Å; Y947-L951 WeakPolarHBondContact O-CB 3.48Å; Y947-L951 PolarHBondContact O-N 3.37Å; Y947-V1020 HydrophobicContact CE2-CG1 4.2Å; Y947-V1020 VanDerWaalsContact OH-CG1 3.27Å; Y947-V1020 WeakPolarHBondContact OH-CG1 3.39Å; Y947-V1020 PolarHBondContact OH-O 3.29Å
948E86.2Confident83.2Confident98 Ų9852 Ų5246%0.45826%0.258SS..Hα-helixtrans-66.5-40.1177.7-73.1172.5-168.300112.3Q944 Q945 L951 T952Q944-E948 WeakPolarHBondContact CG-OE1 3.3Å; Q944-E948 PolarHBondContact NE2-OE1 3.15Å; Q944-E948 WeakPolarHBondContact O-CG 3.45Å; Q944-E948 PolarHBondContact O-N 3.11Å; Q945-E948 PolarHBondContact O-N 3.16Å; E948-L951 PolarHBondContact O-N 3.03Å; E948-T952 WeakPolarHBondContact O-CB 3.24Å; E948-T952 PolarHBondContact O-N 3.25Å; E948-T952 PolarHBondContact O-OG1 3.15Å
949T84.3Confident83.6Confident29.25 Ų29.2552.4 Ų52.418%0.17926%0.256CS..Hα-helixtrans-64.5-41.5174-54.20000111.4L888 E889 I892 Q945 A946 L951 T952 T953L888-T949 HydrophobicContact CB-CG2 4.3Å; L888-T949 HydrophobicContact CD2-CG2 3.89Å; L888-T949 HydrophobicContact CG-CG2 3.92Å; E889-T949 HydrophobicContact CG-CG2 3.62Å; I892-T949 HydrophobicContact CD1-CG2 4.05Å; Q945-T949 PolarHBondContact O-N 3.24Å; Q945-T949 PolarHBondContact O-OG1 3.02Å; Q945-T949 VanDerWaalsContact O-OG1 3.05Å; A946-T949 PolarHBondContact O-N 2.99Å; T949-L951 VanDerWaalsContact C-N 3.32Å; T949-L951 PolarHBondContact O-N 3.39Å; T949-T952 PolarHBondContact O-N 3.15Å; T949-T953 HydrophobicContact CG2-CG2 4.25Å; T949-T953 WeakPolarHBondContact O-CB 3.35Å; T949-T953 VanDerWaalsContact O-CG2 3.27Å; T949-T953 WeakPolarHBondContact O-CG2 3.38Å; T949-T953 PolarHBondContact O-N 3.21Å; T949-T953 PolarHBondContact O-OG1 3.18Å
950L85.5Confident84Confident3.75 Ų3.7555.8 Ų55.82%0.0228%0.278CS..Hα-helixtrans-63.3-40174.6-76.2171.8000112.4I892 F896 A905 F906 I909 A946 Y947 T953 L954I892-L950 HydrophobicContact CD1-CD2 3.7Å; I892-L950 HydrophobicContact CD1-CG 4.31Å; I892-L950 HydrophobicContact CG1-CD2 4.16Å; F896-L950 HydrophobicContact CE1-CD2 3.78Å; F896-L950 HydrophobicContact CZ-CD2 4.1Å; A905-L950 HydrophobicContact CB-CD1 3.73Å; A905-L950 HydrophobicContact CB-CD2 3.96Å; A905-L950 HydrophobicContact CB-CG 4.48Å; F906-L950 HydrophobicContact CD1-CB 4.35Å; F906-L950 HydrophobicContact CD1-CD1 4.11Å; F906-L950 HydrophobicContact CE1-CB 3.58Å; F906-L950 HydrophobicContact CE1-CD1 4.15Å; F906-L950 HydrophobicContact CE2-CB 4.37Å; F906-L950 HydrophobicContact CZ-CB 3.58Å; I909-L950 HydrophobicContact CD1-CD1 3.41Å; I909-L950 VanDerWaalsContact CD1-CD1 3.44Å; I909-L950 HydrophobicContact CD1-CG 4.49Å; I909-L950 HydrophobicContact CG1-CD1 4.46Å; A946-L950 WeakPolarHBondContact O-CB 3.26Å; A946-L950 WeakPolarHBondContact O-CG 3.27Å; A946-L950 PolarHBondContact O-N 3.04Å; A946-L950 VanDerWaalsContact O-N 3.09Å; Y947-L950 PolarHBondContact O-N 3.29Å; L950-T953 WeakPolarHBondContact CA-OG1 3.37Å; L950-T953 PolarHBondContact O-OG1 3.19Å; L950-T953 VanDerWaalsContact O-OG1 3.08Å; L950-L954 VanDerWaalsContact O-CB 3.27Å; L950-L954 WeakPolarHBondContact O-CB 3.41Å; L950-L954 PolarHBondContact O-N 3.09Å
951L86.3Confident84.1Confident35.5 Ų35.553.7 Ų53.719%0.18627%0.269CS..Hα-helixtrans-64.3-43.5175.7-104.4161.5000111.9F906 Y947 E948 T949 R955 Y1017 V1020F906-L951 HydrophobicContact CE1-CG 4.27Å; F906-L951 HydrophobicContact CZ-CB 4.46Å; F906-L951 HydrophobicContact CZ-CD2 4.28Å; F906-L951 HydrophobicContact CZ-CG 4.11Å; Y947-L951 HydrophobicContact CD1-CD1 3.77Å; Y947-L951 HydrophobicContact CD1-CG 4.41Å; Y947-L951 HydrophobicContact CE1-CD1 3.51Å; Y947-L951 VanDerWaalsContact CE1-CD1 3.42Å; Y947-L951 HydrophobicContact CE1-CG 4.15Å; Y947-L951 WeakPolarHBondContact O-CB 3.48Å; Y947-L951 PolarHBondContact O-N 3.37Å; E948-L951 PolarHBondContact O-N 3.03Å; T949-L951 VanDerWaalsContact C-N 3.32Å; T949-L951 PolarHBondContact O-N 3.39Å; L951-R955 WeakPolarHBondContact O-CB 3.43Å; L951-R955 PolarHBondContact O-N 3.12Å; L951-Y1017 HydrophobicContact CD2-CD2 4.28Å; L951-Y1017 HydrophobicContact CD2-CE2 4.2Å; L951-Y1017 HydrophobicContact CG-CE2 4.26Å; L951-V1020 HydrophobicContact CD1-CG1 3.93Å; L951-V1020 HydrophobicContact CD2-CB 4.31Å; L951-V1020 HydrophobicContact CD2-CG1 3.83Å; L951-V1020 HydrophobicContact CG-CG1 4.34Å
952T85.8Confident84.3Confident71.25 Ų71.2552.4 Ų52.444%0.43726%0.256SS..Hα-helixtrans-67.3-45.9-179.4-56.30000111.1E948 T949 L954 R955 L956E948-T952 WeakPolarHBondContact O-CB 3.24Å; E948-T952 PolarHBondContact O-N 3.25Å; E948-T952 PolarHBondContact O-OG1 3.15Å; T949-T952 PolarHBondContact O-N 3.15Å; T952-L954 PolarHBondContact O-N 2.92Å; T952-R955 WeakPolarHBondContact O-CB 3.42Å; T952-R955 PolarHBondContact O-N 2.97Å; T952-L956 HydrophobicContact CG2-CD1 4.17Å; T952-L956 HydrophobicContact CG2-CG 4.45Å; T952-L956 WeakPolarHBondContact O-CB 3.47Å; T952-L956 VanDerWaalsContact O-CG 3.28Å; T952-L956 WeakPolarHBondContact O-CG 3.35Å; T952-L956 PolarHBondContact O-N 2.92Å
953T85.8Confident84.7Confident18.75 Ų18.7553 Ų5312%0.11526%0.264CS..Hα-helixtrans-66.6-38.6177.7530000112.6E889 I892 W902 T949 L950 R955 L956 S957E889-T953 HydrophobicContact CG-CG2 4.38Å; I892-T953 HydrophobicContact CB-CG2 4.33Å; I892-T953 HydrophobicContact CD1-CG2 4.05Å; I892-T953 HydrophobicContact CG2-CG2 3.98Å; I892-T953 WeakPolarHBondContact CG2-OG1 3.45Å; W902-T953 PolarHBondContact NE1-OG1 2.89Å; T949-T953 HydrophobicContact CG2-CG2 4.25Å; T949-T953 WeakPolarHBondContact O-CB 3.35Å; T949-T953 VanDerWaalsContact O-CG2 3.27Å; T949-T953 WeakPolarHBondContact O-CG2 3.38Å; T949-T953 PolarHBondContact O-N 3.21Å; T949-T953 PolarHBondContact O-OG1 3.18Å; L950-T953 WeakPolarHBondContact CA-OG1 3.37Å; L950-T953 PolarHBondContact O-OG1 3.19Å; L950-T953 VanDerWaalsContact O-OG1 3.08Å; T953-R955 VanDerWaalsContact C-N 3.33Å; T953-R955 PolarHBondContact O-N 2.84Å; T953-L956 PolarHBondContact O-N 3.06Å; T953-S957 VanDerWaalsContact O-CB 3.31Å; T953-S957 WeakPolarHBondContact O-CB 3.33Å; T953-S957 PolarHBondContact O-N 3.23Å
954L86.5Confident84.8Confident0 Ų057.7 Ų57.70%029%0.285CS..Hα-helixtrans-62.7-42.5173.118060.3000111.2W902 F906 L950 T952 S957 C958 L1016 Y1017W902-L954 HydrophobicContact CB-CD1 4.37Å; W902-L954 HydrophobicContact CB-CD2 4.49Å; W902-L954 HydrophobicContact CD2-CD1 3.87Å; W902-L954 HydrophobicContact CE3-CD1 4.28Å; W902-L954 HydrophobicContact CG-CB 4.26Å; W902-L954 HydrophobicContact CG-CD1 3.94Å; W902-L954 HydrophobicContact CG-CG 4.42Å; F906-L954 HydrophobicContact CE2-CD2 4.16Å; L950-L954 VanDerWaalsContact O-CB 3.27Å; L950-L954 WeakPolarHBondContact O-CB 3.41Å; L950-L954 PolarHBondContact O-N 3.09Å; T952-L954 PolarHBondContact O-N 2.92Å; L954-S957 PolarHBondContact O-N 3.13Å; L954-C958 WeakPolarHBondContact O-CB 3.37Å; L954-C958 PolarHBondContact O-N 3.2Å; L954-C958 PolarHBondContact O-SG 2.96Å; L954-C958 VanDerWaalsContact O-SG 3.38Å; L954-L1016 HydrophobicContact CD1-CD2 4.31Å; L954-L1016 HydrophobicContact CD2-CB 4.46Å; L954-L1016 HydrophobicContact CD2-CD2 4.09Å; L954-L1016 HydrophobicContact CD2-CG 4Å; L954-Y1017 HydrophobicContact CD2-CD2 4.25Å; L954-Y1017 HydrophobicContact CG-CD2 4.27Å
955R86.7Confident84.8Confident133.5 Ų133.553.3 Ų53.350%0.50427%0.266SS..Hα-helixtrans-62-47.5175.5-174.6-177.9174.4-175-1.9111.6L951 T952 T953 S957 C958 L959 Y1017L951-R955 WeakPolarHBondContact O-CB 3.43Å; L951-R955 PolarHBondContact O-N 3.12Å; T952-R955 WeakPolarHBondContact O-CB 3.42Å; T952-R955 PolarHBondContact O-N 2.97Å; T953-R955 VanDerWaalsContact C-N 3.33Å; T953-R955 PolarHBondContact O-N 2.84Å; R955-S957 VanDerWaalsContact C-N 3.34Å; R955-S957 PolarHBondContact O-N 3.08Å; R955-C958 PolarHBondContact O-N 3.22Å; R955-L959 HydrophobicContact CG-CD1 4.1Å; R955-L959 HydrophobicContact CG-CG 4.44Å; R955-L959 WeakPolarHBondContact O-CB 3.37Å; R955-L959 WeakPolarHBondContact O-CG 3.3Å; R955-L959 PolarHBondContact O-N 3.33Å; R955-Y1017 HydrophobicContact CB-CD2 4.24Å; R955-Y1017 HydrophobicContact CB-CE2 3.7Å; R955-Y1017 HydrophobicContact CG-CE2 4.16Å
956L85.2Confident84.9Confident104.5 Ų104.549.5 Ų49.555%0.54725%0.249SC..Hα-helixtrans-62-42.3178.3-72.6171.7000111.5T952 T953 C958 L959 C960T952-L956 HydrophobicContact CG2-CD1 4.17Å; T952-L956 HydrophobicContact CG2-CG 4.45Å; T952-L956 WeakPolarHBondContact O-CB 3.47Å; T952-L956 VanDerWaalsContact O-CG 3.28Å; T952-L956 WeakPolarHBondContact O-CG 3.35Å; T952-L956 PolarHBondContact O-N 2.92Å; T953-L956 PolarHBondContact O-N 3.06Å; L956-C958 PolarHBondContact O-N 3.49Å; L956-L959 PolarHBondContact O-N 3.33Å; L956-C960 VanDerWaalsContact O-CB 3.25Å; L956-C960 WeakPolarHBondContact O-CB 3.39Å; L956-C960 PolarHBondContact O-N 3.2Å
957S85.4Confident85.2Confident24.25 Ų24.2551 Ų5117%0.1726%0.264CS..Hα-helixtrans-62.9-43.1175.2-1740000111.8T953 L954 R955 L959 C960 D961 K1013T953-S957 VanDerWaalsContact O-CB 3.31Å; T953-S957 WeakPolarHBondContact O-CB 3.33Å; T953-S957 PolarHBondContact O-N 3.23Å; L954-S957 PolarHBondContact O-N 3.13Å; R955-S957 VanDerWaalsContact C-N 3.34Å; R955-S957 PolarHBondContact O-N 3.08Å; S957-L959 PolarHBondContact O-N 3.2Å; S957-C960 PolarHBondContact O-N 3.11Å; S957-D961 WeakPolarHBondContact O-CB 3.39Å; S957-D961 VanDerWaalsContact O-CG 3.26Å; S957-D961 PolarHBondContact O-N 3.34Å; S957-K1013 PolarHBondContact OG-NZ 3.15Å
958C85.1Confident85.1Confident2 Ų249.3 Ų49.31%0.01426%0.261CS..Hα-helixtrans-63.1-41.3175.3-118.90000112.4L954 R955 L956 Y962 L1010 K1013 I1025L954-C958 WeakPolarHBondContact O-CB 3.37Å; L954-C958 PolarHBondContact O-N 3.2Å; L954-C958 PolarHBondContact O-SG 2.96Å; L954-C958 VanDerWaalsContact O-SG 3.38Å; R955-C958 PolarHBondContact O-N 3.22Å; L956-C958 PolarHBondContact O-N 3.49Å; C958-Y962 VanDerWaalsContact O-CB 3.25Å; C958-Y962 WeakPolarHBondContact O-CB 3.37Å; C958-Y962 PolarHBondContact O-N 3.25Å; C958-L1010 WeakPolarHBondContact O-CD1 3.41Å; C958-K1013 HydrophobicContact CB-CB 4.49Å; C958-K1013 VanDerWaalsContact SG-CB 3.56Å; C958-I1025 HydrophobicContact CB-CD1 3.61Å; C958-I1025 VanDerWaalsContact SG-CD1 3.53Å; C958-I1025 WeakPolarHBondContact SG-CD1 3.42Å
959L85.6Confident85Confident40.75 Ų40.7544.7 Ų44.721%0.21324%0.24CC..Hα-helixtrans-68.4-37.2177.7-73.5172.1000112.2R955 L956 S957 Y962 Q963 I1025R955-L959 HydrophobicContact CG-CD1 4.1Å; R955-L959 HydrophobicContact CG-CG 4.44Å; R955-L959 WeakPolarHBondContact O-CB 3.37Å; R955-L959 WeakPolarHBondContact O-CG 3.3Å; R955-L959 PolarHBondContact O-N 3.33Å; L956-L959 PolarHBondContact O-N 3.33Å; S957-L959 PolarHBondContact O-N 3.2Å; L959-Y962 WeakPolarHBondContact O-CB 3.29Å; L959-Y962 PolarHBondContact O-N 3.25Å; L959-Q963 WeakPolarHBondContact O-CB 3.44Å; L959-Q963 VanDerWaalsContact O-CG 3.24Å; L959-Q963 WeakPolarHBondContact O-CG 3.36Å; L959-Q963 PolarHBondContact O-N 3.06Å; L959-I1025 HydrophobicContact CD2-CG2 4.16Å
960C85Confident85Confident71.75 Ų71.7547.9 Ų47.949%0.48526%0.255SS..Hα-helixtrans-65.6-48.8175.9-168.80000111L956 S957 Y962 Q963 Q964L956-C960 VanDerWaalsContact O-CB 3.25Å; L956-C960 WeakPolarHBondContact O-CB 3.39Å; L956-C960 PolarHBondContact O-N 3.2Å; S957-C960 PolarHBondContact O-N 3.11Å; C960-Y962 VanDerWaalsContact C-N 3.27Å; C960-Y962 PolarHBondContact O-N 3.07Å; C960-Q963 PolarHBondContact O-N 3.22Å; C960-Q963 VanDerWaalsContact O-N 3.15Å; C960-Q964 WeakPolarHBondContact O-CB 3.31Å; C960-Q964 PolarHBondContact O-N 3.13Å
961D84.1Confident84.8Confident34.75 Ų34.7553.3 Ų53.319%0.18628%0.28CS..Hα-helixtrans-62.3-36.3175.7-728.9000111.3S957 Q964 A965 L1010 K1013S957-D961 WeakPolarHBondContact O-CB 3.39Å; S957-D961 VanDerWaalsContact O-CG 3.26Å; S957-D961 PolarHBondContact O-N 3.34Å; D961-Q964 PolarHBondContact O-N 3.08Å; D961-A965 VanDerWaalsContact O-CB 3.26Å; D961-A965 WeakPolarHBondContact O-CB 3.27Å; D961-A965 PolarHBondContact O-N 2.94Å; D961-L1010 HydrophobicContact CB-CD1 3.69Å; D961-K1013 IonicContact OD1-NZ 3.1Å; D961-K1013 PolarHBondContact OD1-NZ 3.14Å; D961-K1013 VanDerWaalsContact OD2-CD 3.29Å; D961-K1013 WeakPolarHBondContact OD2-CD 3.39Å; D961-K1013 VanDerWaalsContact OD2-CE 3.28Å; D961-K1013 WeakPolarHBondContact OD2-CE 3.31Å; D961-K1013 IonicContact OD2-NZ 3.23Å; D961-K1013 PolarHBondContact OD2-NZ 2.97Å
962Y85.8Confident84.5Confident33.25 Ų33.2551.6 Ų51.613%0.1327%0.272CS..Hα-helixtrans-62.8-48.3173.6163.7-93.2000112C958 L959 C960 Q964 A965 N966 E1027 M1028 Q1030 T1031C958-Y962 VanDerWaalsContact O-CB 3.25Å; C958-Y962 WeakPolarHBondContact O-CB 3.37Å; C958-Y962 PolarHBondContact O-N 3.25Å; L959-Y962 WeakPolarHBondContact O-CB 3.29Å; L959-Y962 PolarHBondContact O-N 3.25Å; C960-Y962 VanDerWaalsContact C-N 3.27Å; C960-Y962 PolarHBondContact O-N 3.07Å; Y962-Q964 VanDerWaalsContact C-N 3.31Å; Y962-Q964 PolarHBondContact O-N 3.32Å; Y962-A965 PolarHBondContact O-N 3.11Å; Y962-N966 HydrophobicContact CE2-CB 4.45Å; Y962-N966 WeakPolarHBondContact CE2-ND2 3.35Å; Y962-N966 VanDerWaalsContact O-CB 3.29Å; Y962-N966 WeakPolarHBondContact O-CB 3.36Å; Y962-N966 PolarHBondContact O-N 3.25Å; Y962-N966 PolarHBondContact OH-ND2 3.24Å; Y962-N966 VanDerWaalsContact OH-ND2 3.08Å; Y962-E1027 HydrophobicContact CD1-CB 4.49Å; Y962-E1027 HydrophobicContact CD2-CB 4.33Å; Y962-E1027 HydrophobicContact CE1-CB 4.13Å; Y962-E1027 HydrophobicContact CE1-CG 4.31Å; Y962-E1027 HydrophobicContact CE2-CB 3.63Å; Y962-E1027 VanDerWaalsContact CE2-O 3.31Å; Y962-E1027 WeakPolarHBondContact CE2-O 3.3Å; Y962-E1027 VanDerWaalsContact CZ-CB 3.41Å; Y962-M1028 HydrophobicContact CD2-SD 4.45Å; Y962-Q1030 PolarHBondContact OH-OE1 3.33Å; Y962-T1031 VanDerWaalsContact CD2-OG1 3.22Å; Y962-T1031 WeakPolarHBondContact CD2-OG1 3.4Å; Y962-T1031 VanDerWaalsContact CE2-OG1 3.28Å; Y962-T1031 WeakPolarHBondContact CE2-OG1 3.47Å
963Q84.4Confident84.3Confident135.5 Ų135.549.3 Ų49.363%0.63326%0.257SS*.Hα-helixtrans-62.8-40.1177.5-75.9175.6-9.300111.3L959 C960 G967L959-Q963 WeakPolarHBondContact O-CB 3.44Å; L959-Q963 VanDerWaalsContact O-CG 3.24Å; L959-Q963 WeakPolarHBondContact O-CG 3.36Å; L959-Q963 PolarHBondContact O-N 3.06Å; C960-Q963 PolarHBondContact O-N 3.22Å; C960-Q963 VanDerWaalsContact O-N 3.15Å; Q963-G967 WeakPolarHBondContact O-CA 3.18Å; Q963-G967 PolarHBondContact O-N 3.26Å
964Q83.1Confident84Confident111.5 Ų111.555 Ų5552%0.52128%0.281SS..Hα-helixtrans-66.4-49.1177.3-169.8176.310.500111.5C960 D961 Y962 G967 V968 M1006C960-Q964 WeakPolarHBondContact O-CB 3.31Å; C960-Q964 PolarHBondContact O-N 3.13Å; D961-Q964 PolarHBondContact O-N 3.08Å; Y962-Q964 VanDerWaalsContact C-N 3.31Å; Y962-Q964 PolarHBondContact O-N 3.32Å; Q964-G967 PolarHBondContact O-N 2.98Å; Q964-V968 VanDerWaalsContact O-CG2 3.28Å; Q964-V968 WeakPolarHBondContact O-CG2 3.35Å; Q964-V968 PolarHBondContact O-N 3.23Å; Q964-V968 VanDerWaalsContact O-N 3.12Å; Q964-M1006 HydrophobicContact CG-CE 4.39Å; Q964-M1006 HydrophobicContact CG-SD 4.28Å
965A82.8Confident83.5Confident6.25 Ų6.2556.2 Ų56.25%0.05229%0.289CS..Hα-helixtrans-63.7-46.5179.500000112D961 Y962 V968 L969 M1006 L1010D961-A965 VanDerWaalsContact O-CB 3.26Å; D961-A965 WeakPolarHBondContact O-CB 3.27Å; D961-A965 PolarHBondContact O-N 2.94Å; Y962-A965 PolarHBondContact O-N 3.11Å; A965-V968 PolarHBondContact O-N 3.32Å; A965-L969 VanDerWaalsContact O-CB 3.31Å; A965-L969 WeakPolarHBondContact O-CB 3.41Å; A965-L969 WeakPolarHBondContact O-CD1 3.31Å; A965-L969 VanDerWaalsContact O-CG 3.26Å; A965-L969 WeakPolarHBondContact O-CG 3.31Å; A965-L969 PolarHBondContact O-N 3.26Å; A965-L969 VanDerWaalsContact O-N 3.08Å; A965-M1006 WeakPolarHBondContact CA-SD 3.27Å; A965-M1006 HydrophobicContact CB-CG 4.06Å; A965-M1006 HydrophobicContact CB-SD 3.78Å; A965-L1010 HydrophobicContact CB-CD2 4.19Å
966N85.3Confident82.9Confident8.5 Ų8.550.2 Ų50.25%0.04527%0.267CS..Hα-helixtrans-70.6-34.4178.8-819000112.6Y962 L969 L970 T1031 L1034Y962-N966 HydrophobicContact CE2-CB 4.45Å; Y962-N966 WeakPolarHBondContact CE2-ND2 3.35Å; Y962-N966 VanDerWaalsContact O-CB 3.29Å; Y962-N966 WeakPolarHBondContact O-CB 3.36Å; Y962-N966 PolarHBondContact O-N 3.25Å; Y962-N966 PolarHBondContact OH-ND2 3.24Å; Y962-N966 VanDerWaalsContact OH-ND2 3.08Å; N966-L969 PolarHBondContact O-N 3.18Å; N966-L970 VanDerWaalsContact O-CB 3.22Å; N966-L970 WeakPolarHBondContact O-CB 3.38Å; N966-L970 WeakPolarHBondContact O-CD1 3.49Å; N966-L970 VanDerWaalsContact O-CG 3.26Å; N966-L970 WeakPolarHBondContact O-CG 3.3Å; N966-L970 PolarHBondContact O-N 3.33Å; N966-T1031 VanDerWaalsContact CG-OG1 3.3Å; N966-T1031 PolarHBondContact ND2-OG1 3.41Å; N966-T1031 VanDerWaalsContact OD1-CA 3.24Å; N966-T1031 WeakPolarHBondContact OD1-CA 3.27Å; N966-T1031 VanDerWaalsContact OD1-CB 3.23Å; N966-T1031 WeakPolarHBondContact OD1-CB 3.28Å; N966-T1031 VanDerWaalsContact OD1-CG2 3.3Å; N966-T1031 WeakPolarHBondContact OD1-CG2 3.34Å; N966-T1031 PolarHBondContact OD1-OG1 2.98Å; N966-L1034 HydrophobicContact CB-CD1 4.17Å
967G84.3Confident82.4Confident36.25 Ų36.2549.2 Ų49.237%0.37427%0.268SS..Hα-helixtrans-58.5-50.7173.200000111.2Q963 Q964 L969 L970 E971Q963-G967 WeakPolarHBondContact O-CA 3.18Å; Q963-G967 PolarHBondContact O-N 3.26Å; Q964-G967 PolarHBondContact O-N 2.98Å; G967-L969 VanDerWaalsContact C-N 3.34Å; G967-L969 PolarHBondContact O-N 3.05Å; G967-L970 PolarHBondContact O-N 3.31Å; G967-E971 VanDerWaalsContact O-CB 3.31Å; G967-E971 WeakPolarHBondContact O-CB 3.24Å; G967-E971 PolarHBondContact O-N 2.82Å
968V83.2Confident81.6Confident35.25 Ų35.2552.8 Ų52.821%0.21428%0.282CS..Hα-helixtrans-62.9-41.6177.3175.30000111.6Q964 A965 A972 I1003Q964-V968 VanDerWaalsContact O-CG2 3.28Å; Q964-V968 WeakPolarHBondContact O-CG2 3.35Å; Q964-V968 PolarHBondContact O-N 3.23Å; Q964-V968 VanDerWaalsContact O-N 3.12Å; A965-V968 PolarHBondContact O-N 3.32Å; V968-A972 VanDerWaalsContact O-CB 3.25Å; V968-A972 WeakPolarHBondContact O-CB 3.43Å; V968-A972 PolarHBondContact O-N 3.46Å; V968-I1003 HydrophobicContact CG1-CD1 3.95Å; V968-I1003 HydrophobicContact CG1-CG1 3.95Å
969L84.2Confident80.6Confident2 Ų262 Ų621%0.0132%0.316CS..Hα-helixtrans-68.7-41.9179.4-76.2165000113A965 N966 G967 A972 V973 I1003 T1031 L1034 V1035 F1038A965-L969 VanDerWaalsContact O-CB 3.31Å; A965-L969 WeakPolarHBondContact O-CB 3.41Å; A965-L969 WeakPolarHBondContact O-CD1 3.31Å; A965-L969 VanDerWaalsContact O-CG 3.26Å; A965-L969 WeakPolarHBondContact O-CG 3.31Å; A965-L969 PolarHBondContact O-N 3.26Å; A965-L969 VanDerWaalsContact O-N 3.08Å; N966-L969 PolarHBondContact O-N 3.18Å; G967-L969 VanDerWaalsContact C-N 3.34Å; G967-L969 PolarHBondContact O-N 3.05Å; L969-A972 PolarHBondContact O-N 3.28Å; L969-V973 WeakPolarHBondContact O-CB 3.41Å; L969-V973 VanDerWaalsContact O-CG2 3.25Å; L969-V973 WeakPolarHBondContact O-CG2 3.36Å; L969-V973 PolarHBondContact O-N 3.21Å; L969-I1003 HydrophobicContact CD2-CG2 3.67Å; L969-I1003 HydrophobicContact CG-CG2 4.23Å; L969-T1031 HydrophobicContact CD1-CG2 4.04Å; L969-L1034 HydrophobicContact CB-CB 4.03Å; L969-L1034 HydrophobicContact CB-CD1 4.46Å; L969-L1034 HydrophobicContact CD1-CB 4.05Å; L969-L1034 HydrophobicContact CG-CB 4.48Å; L969-V1035 HydrophobicContact CD1-CG2 3.67Å; L969-V1035 HydrophobicContact CD2-CG2 4.02Å; L969-V1035 HydrophobicContact CG-CG2 4.46Å; L969-F1038 HydrophobicContact CD2-CB 3.97Å; L969-F1038 HydrophobicContact CD2-CD1 4.28Å; L969-F1038 HydrophobicContact CD2-CG 4.2Å
970L84.6Confident79.5Confident97 Ų9760.3 Ų60.351%0.50831%0.308SS..Hα-helixtrans-66.3-43.5177.6-78166.6000111.1N966 G967 A972 V973 K974 L1034N966-L970 VanDerWaalsContact O-CB 3.22Å; N966-L970 WeakPolarHBondContact O-CB 3.38Å; N966-L970 WeakPolarHBondContact O-CD1 3.49Å; N966-L970 VanDerWaalsContact O-CG 3.26Å; N966-L970 WeakPolarHBondContact O-CG 3.3Å; N966-L970 PolarHBondContact O-N 3.33Å; G967-L970 PolarHBondContact O-N 3.31Å; L970-A972 VanDerWaalsContact C-N 3.32Å; L970-A972 PolarHBondContact O-N 3.49Å; L970-V973 PolarHBondContact O-N 3.18Å; L970-K974 WeakPolarHBondContact O-CB 3.35Å; L970-K974 PolarHBondContact O-N 3.25Å; L970-L1034 HydrophobicContact CD1-CD1 4.45Å; L970-L1034 HydrophobicContact CD2-CD1 4.2Å; L970-L1034 HydrophobicContact CD2-CD2 3.61Å; L970-L1034 HydrophobicContact CD2-CG 4.47Å; L970-L1034 HydrophobicContact CG-CD1 3.99Å; L970-L1034 HydrophobicContact CG-CD2 4.14Å
971E81.4Confident78.4Confident117 Ų11764.5 Ų64.555%0.54732%0.32SS..Hα-helixtrans-59.5-46.1173.5-171.2-177175.200110.4G967 V973 K974 S975 F996G967-E971 VanDerWaalsContact O-CB 3.31Å; G967-E971 WeakPolarHBondContact O-CB 3.24Å; G967-E971 PolarHBondContact O-N 2.82Å; E971-V973 PolarHBondContact O-N 3.17Å; E971-K974 PolarHBondContact O-N 3.23Å; E971-S975 VanDerWaalsContact O-CB 3.27Å; E971-S975 WeakPolarHBondContact O-CB 3.43Å; E971-S975 PolarHBondContact O-N 3.13Å; E971-S975 PolarHBondContact O-OG 3.18Å; E971-F996 HydrophobicContact CB-CZ 4.5Å; E971-F996 HydrophobicContact CG-CZ 4.31Å
972A79.4Confident77.3Confident0 Ų064.1 Ų64.10%032%0.32CS..Hα-helixtrans-62.3-46.9178.700000113V968 L969 L970 K974 S975 L976 F996 F1038V968-A972 VanDerWaalsContact O-CB 3.25Å; V968-A972 WeakPolarHBondContact O-CB 3.43Å; V968-A972 PolarHBondContact O-N 3.46Å; L969-A972 PolarHBondContact O-N 3.28Å; L970-A972 VanDerWaalsContact C-N 3.32Å; L970-A972 PolarHBondContact O-N 3.49Å; A972-K974 PolarHBondContact O-N 2.7Å; A972-S975 PolarHBondContact O-N 2.82Å; A972-L976 VanDerWaalsContact O-CB 3.27Å; A972-L976 WeakPolarHBondContact O-CB 3.39Å; A972-L976 VanDerWaalsContact O-CD1 3.31Å; A972-L976 WeakPolarHBondContact O-CD1 3.32Å; A972-L976 WeakPolarHBondContact O-CG 3.25Å; A972-L976 PolarHBondContact O-N 3.16Å; A972-F996 VanDerWaalsContact CA-CZ 3.47Å; A972-F996 HydrophobicContact CB-CD1 3.53Å; A972-F996 VanDerWaalsContact CB-CD1 3.46Å; A972-F996 HydrophobicContact CB-CD2 4.35Å; A972-F996 HydrophobicContact CB-CE1 3.44Å; A972-F996 VanDerWaalsContact CB-CE1 3.44Å; A972-F996 HydrophobicContact CB-CE2 4.26Å; A972-F996 HydrophobicContact CB-CG 4.02Å; A972-F996 HydrophobicContact CB-CZ 3.84Å; A972-F1038 HydrophobicContact CB-CD2 3.51Å; A972-F1038 VanDerWaalsContact CB-CD2 3.45Å; A972-F1038 HydrophobicContact CB-CE2 3.56Å; A972-F1038 VanDerWaalsContact CB-CE2 3.48Å; A972-F1038 HydrophobicContact CB-CG 4.49Å
973V81.6Confident76Confident22.75 Ų22.7563.3 Ų63.314%0.13832%0.321CS..Hα-helixtrans-64.8-42.8178.6171.50000111.1L969 L970 E971 L976 C977 Q1037 F1038L969-V973 WeakPolarHBondContact O-CB 3.41Å; L969-V973 VanDerWaalsContact O-CG2 3.25Å; L969-V973 WeakPolarHBondContact O-CG2 3.36Å; L969-V973 PolarHBondContact O-N 3.21Å; L970-V973 PolarHBondContact O-N 3.18Å; E971-V973 PolarHBondContact O-N 3.17Å; V973-L976 PolarHBondContact O-N 3.45Å; V973-C977 WeakPolarHBondContact O-CB 3.36Å; V973-C977 PolarHBondContact O-N 2.96Å; V973-C977 VanDerWaalsContact O-N 3.08Å; V973-C977 PolarHBondContact O-SG 3.21Å; V973-Q1037 HydrophobicContact CG1-CB 4.4Å; V973-Q1037 HydrophobicContact CG2-CB 4.06Å; V973-F1038 HydrophobicContact CG2-CB 3.94Å
974K80.5Confident75Confident139.25 Ų139.2561 Ų6161%0.60531%0.31SS*.Hα-helixtrans-64-50.6179.5-172.7-176.8175.8-166.60110.9L970 E971 A972 L976 C977 E978L970-K974 WeakPolarHBondContact O-CB 3.35Å; L970-K974 PolarHBondContact O-N 3.25Å; E971-K974 PolarHBondContact O-N 3.23Å; A972-K974 PolarHBondContact O-N 2.7Å; K974-L976 VanDerWaalsContact C-N 3.31Å; K974-L976 PolarHBondContact O-N 3.04Å; K974-C977 PolarHBondContact O-N 3.25Å; K974-C977 VanDerWaalsContact O-N 3.11Å; K974-E978 VanDerWaalsContact CE-OE1 3.24Å; K974-E978 WeakPolarHBondContact CE-OE1 3.26Å; K974-E978 IonicContact NZ-OE1 2.64Å; K974-E978 PolarHBondContact O-N 3.32Å; K974-E978 VanDerWaalsContact O-N 3.09Å
975S76.2Confident74.2Confident24.75 Ų24.7559.6 Ų59.617%0.17330%0.303CS..Hα-helixtrans-66.5-30.6-178.1-56.10000113.1E971 A972 C977E971-S975 VanDerWaalsContact O-CB 3.27Å; E971-S975 WeakPolarHBondContact O-CB 3.43Å; E971-S975 PolarHBondContact O-N 3.13Å; E971-S975 PolarHBondContact O-OG 3.18Å; A972-S975 PolarHBondContact O-N 2.82Å; S975-C977 VanDerWaalsContact C-N 3.31Å; S975-C977 PolarHBondContact O-N 3.34Å
976L74.3Confident73.2Confident6.25 Ų6.2559.8 Ų59.83%0.03330%0.304CS..Hα-helixtrans-76.4-17.6175.8-72.4168.4000113.6A972 V973 K974 Y993 F1038 A1041 L1042 H1045A972-L976 VanDerWaalsContact O-CB 3.27Å; A972-L976 WeakPolarHBondContact O-CB 3.39Å; A972-L976 VanDerWaalsContact O-CD1 3.31Å; A972-L976 WeakPolarHBondContact O-CD1 3.32Å; A972-L976 WeakPolarHBondContact O-CG 3.25Å; A972-L976 PolarHBondContact O-N 3.16Å; V973-L976 PolarHBondContact O-N 3.45Å; K974-L976 VanDerWaalsContact C-N 3.31Å; K974-L976 PolarHBondContact O-N 3.04Å; L976-Y993 HydrophobicContact CD2-CD2 3.91Å; L976-Y993 HydrophobicContact CD2-CE2 4.46Å; L976-Y993 HydrophobicContact CD2-CG 4.42Å; L976-F1038 HydrophobicContact CD1-CD2 3.88Å; L976-F1038 HydrophobicContact CD1-CE2 3.8Å; L976-A1041 HydrophobicContact CB-CB 3.87Å; L976-A1041 HydrophobicContact CD1-CB 4.19Å; L976-L1042 HydrophobicContact CD1-CB 4.2Å; L976-L1042 HydrophobicContact CD1-CD1 4.06Å; L976-L1042 HydrophobicContact CD1-CG 3.92Å; L976-L1042 HydrophobicContact CD2-CG 4.39Å; L976-H1045 HydrophobicContact CD2-CB 4.49Å; L976-H1045 PolarHBondContact O-ND1 3.12Å
977C74.4Confident72.2Confident85 Ų8564.7 Ų64.757%0.57433%0.325SS*.Hα-helixtrans-99.7-9.1-179.8-70.10000114.1V973 K974 S975 R979V973-C977 WeakPolarHBondContact O-CB 3.36Å; V973-C977 PolarHBondContact O-N 2.96Å; V973-C977 VanDerWaalsContact O-N 3.08Å; V973-C977 PolarHBondContact O-SG 3.21Å; K974-C977 PolarHBondContact O-N 3.25Å; K974-C977 VanDerWaalsContact O-N 3.11Å; S975-C977 VanDerWaalsContact C-N 3.31Å; S975-C977 PolarHBondContact O-N 3.34Å; C977-R979 PolarHBondContact O-N 3.36Å
978E68.8Low71.5Confident99.75 Ų99.7566.5 Ų66.547%0.46633%0.329SS..  trans-71.2135.1178.9-83.2174.2178.400111.8K974K974-E978 VanDerWaalsContact CE-OE1 3.24Å; K974-E978 WeakPolarHBondContact CE-OE1 3.26Å; K974-E978 IonicContact NZ-OE1 2.64Å; K974-E978 PolarHBondContact O-N 3.32Å; K974-E978 VanDerWaalsContact O-N 3.09Å
979R62.8Low70.8Confident193.5 Ų193.565.4 Ų65.473%0.7332%0.322SS*.  trans-98.9117.5178.8-69.2-177.5179.6175.60.4109C977 T1048C977-R979 PolarHBondContact O-N 3.36Å; R979-T1048 HydrophobicContact CG-CG2 4.05Å
980P63Low70.2Confident6.75 Ų6.7569.9 Ų69.94%0.04434%0.343CS..  trans-67.8147-179.617.8-19.8000111.8E985 V986 V989 M1049 Q1052P980-E985 WeakPolarHBondContact CA-OE2 3.27Å; P980-E985 HydrophobicContact CB-CB 3.67Å; P980-V986 HydrophobicContact CB-CG2 3.86Å; P980-V986 HydrophobicContact CG-CG2 3.99Å; P980-V989 HydrophobicContact CB-CG2 4.27Å; P980-V989 HydrophobicContact CG-CB 4.42Å; P980-V989 HydrophobicContact CG-CG1 4.32Å; P980-V989 HydrophobicContact CG-CG2 4.39Å; P980-M1049 HydrophobicContact CG-CE 3.8Å; P980-M1049 HydrophobicContact CG-SD 3.63Å; P980-M1049 VanDerWaalsContact CG-SD 3.5Å; P980-Q1052 VanDerWaalsContact C-OE1 3.25Å; P980-Q1052 VanDerWaalsContact CB-OE1 3.23Å; P980-Q1052 WeakPolarHBondContact O-CG 3.28Å; P980-Q1052 PolarHBondContact O-NE2 3.04Å; P980-Q1052 VanDerWaalsContact O-NE2 3.1Å; P980-Q1052 PolarHBondContact O-OE1 3.34Å; P980-Q1052 VanDerWaalsContact O-OE1 3.11Å
981Q62.7Low69.7Low158.25 Ų158.2568.3 Ų68.374%0.73934%0.34SS*.  trans-124.5-9175.5-61.8-167.67.400112.5E985 L1056Q981-E985 WeakPolarHBondContact CA-OE2 3.35Å; Q981-E985 PolarHBondContact N-OE2 3.26Å; Q981-L1056 WeakPolarHBondContact O-CD2 3.4Å
982S60.5Low69.3Low27.25 Ų27.2564.6 Ų64.619%0.19133%0.326CS..SBendtrans-127.8163177.882.20000112.2E984 E985 V986 L1056S982-E984 VanDerWaalsContact C-N 3.29Å; S982-E984 PolarHBondContact O-N 2.95Å; S982-E984 PolarHBondContact OG-N 2.98Å; S982-E985 PolarHBondContact N-OE2 3.23Å; S982-E985 WeakPolarHBondContact O-CB 3.36Å; S982-E985 PolarHBondContact O-N 3.23Å; S982-E985 VanDerWaalsContact OG-CB 3.27Å; S982-E985 WeakPolarHBondContact OG-CB 3.37Å; S982-E985 VanDerWaalsContact OG-CD 3.26Å; S982-E985 VanDerWaalsContact OG-CG 3.24Å; S982-E985 WeakPolarHBondContact OG-CG 3.39Å; S982-E985 PolarHBondContact OG-N 3.14Å; S982-E985 VanDerWaalsContact OG-N 3.12Å; S982-E985 PolarHBondContact OG-OE1 3.47Å; S982-V986 WeakPolarHBondContact O-CG2 3.39Å; S982-V986 PolarHBondContact O-N 2.91Å; S982-V986 VanDerWaalsContact O-N 3.09Å; S982-L1056 VanDerWaalsContact C-CD1 3.5Å; S982-L1056 WeakPolarHBondContact O-CD1 3.5Å
983A59Low69.1Low17.25 Ų17.2567 Ų6714%0.14334%0.335CS..Hα-helixtrans-65.9-36.2179.300000112.2E985 V986 K987 L1056 D1126 L1127A983-E985 VanDerWaalsContact C-N 3.3Å; A983-E985 PolarHBondContact O-N 2.94Å; A983-V986 WeakPolarHBondContact O-CB 3.41Å; A983-V986 PolarHBondContact O-N 3.09Å; A983-V986 VanDerWaalsContact O-N 3.12Å; A983-K987 PolarHBondContact O-N 3.04Å; A983-K987 VanDerWaalsContact O-N 3.17Å; A983-L1056 HydrophobicContact CB-CB 3.88Å; A983-L1056 HydrophobicContact CB-CD1 3.96Å; A983-L1056 HydrophobicContact CB-CD2 3.77Å; A983-L1056 HydrophobicContact CB-CG 3.85Å; A983-L1056 VanDerWaalsContact N-CD1 3.3Å; A983-D1126 HydrophobicContact CB-CB 4.01Å; A983-L1127 HydrophobicContact CB-CB 4.45Å; A983-L1127 HydrophobicContact CB-CD1 4.27Å; A983-L1127 HydrophobicContact CB-CD2 3.72Å; A983-L1127 HydrophobicContact CB-CG 3.86Å
984E62.6Low68.9Low86 Ų8670.6 Ų70.640%0.40235%0.353SS..Hα-helixtrans-64.9-41.9172.3-68.4-174146.100111.3S982 V986 K987 T988 I1122 E1123 D1126S982-E984 VanDerWaalsContact C-N 3.29Å; S982-E984 PolarHBondContact O-N 2.95Å; S982-E984 PolarHBondContact OG-N 2.98Å; E984-V986 VanDerWaalsContact C-N 3.29Å; E984-V986 PolarHBondContact O-N 3.25Å; E984-K987 PolarHBondContact O-N 3.05Å; E984-K987 VanDerWaalsContact O-N 3.14Å; E984-T988 WeakPolarHBondContact O-CB 3.43Å; E984-T988 VanDerWaalsContact O-CG2 3.28Å; E984-T988 WeakPolarHBondContact O-CG2 3.37Å; E984-T988 PolarHBondContact O-N 3.02Å; E984-T988 PolarHBondContact O-OG1 3.13Å; E984-I1122 HydrophobicContact CB-CG2 4.47Å; E984-I1122 HydrophobicContact CG-CG2 3.88Å; E984-I1122 VanDerWaalsContact OE1-C 3.32Å; E984-I1122 WeakPolarHBondContact OE1-CB 3.24Å; E984-I1122 WeakPolarHBondContact OE1-CG2 3.4Å; E984-E1123 HydrophobicContact CG-CG 3.96Å; E984-E1123 VanDerWaalsContact OE1-CG 3.3Å; E984-E1123 WeakPolarHBondContact OE1-CG 3.47Å; E984-E1123 PolarHBondContact OE1-N 3.49Å; E984-D1126 VanDerWaalsContact CA-CB 3.49Å; E984-D1126 WeakPolarHBondContact CA-OD2 3.18Å; E984-D1126 HydrophobicContact CB-CB 4.19Å; E984-D1126 WeakPolarHBondContact CB-OD2 3.33Å; E984-D1126 HydrophobicContact CG-CB 3.95Å; E984-D1126 WeakPolarHBondContact CG-OD2 3.13Å
985E65.7Low68.8Low82.25 Ų82.2567.8 Ų67.838%0.38435%0.345SS..Hα-helixtrans-62.6-34.9175.9-75.4170.6-160.100111.6P980 Q981 S982 A983 T988 V989P980-E985 WeakPolarHBondContact CA-OE2 3.27Å; P980-E985 HydrophobicContact CB-CB 3.67Å; Q981-E985 WeakPolarHBondContact CA-OE2 3.35Å; Q981-E985 PolarHBondContact N-OE2 3.26Å; S982-E985 PolarHBondContact N-OE2 3.23Å; S982-E985 WeakPolarHBondContact O-CB 3.36Å; S982-E985 PolarHBondContact O-N 3.23Å; S982-E985 VanDerWaalsContact OG-CB 3.27Å; S982-E985 WeakPolarHBondContact OG-CB 3.37Å; S982-E985 VanDerWaalsContact OG-CD 3.26Å; S982-E985 VanDerWaalsContact OG-CG 3.24Å; S982-E985 WeakPolarHBondContact OG-CG 3.39Å; S982-E985 PolarHBondContact OG-N 3.14Å; S982-E985 VanDerWaalsContact OG-N 3.12Å; S982-E985 PolarHBondContact OG-OE1 3.47Å; A983-E985 VanDerWaalsContact C-N 3.3Å; A983-E985 PolarHBondContact O-N 2.94Å; E985-T988 VanDerWaalsContact C-OG1 3.28Å; E985-T988 VanDerWaalsContact CA-OG1 3.25Å; E985-T988 WeakPolarHBondContact CA-OG1 3.42Å; E985-T988 PolarHBondContact O-N 3.35Å; E985-T988 PolarHBondContact O-OG1 3.03Å; E985-V989 WeakPolarHBondContact O-CB 3.29Å; E985-V989 WeakPolarHBondContact O-CG2 3.39Å; E985-V989 PolarHBondContact O-N 2.95Å
986V63.5Low69Low10.75 Ų10.7567.2 Ų67.27%0.06534%0.339CS..Hα-helixtrans-64.2-47.4175.7168.50000111.3P980 S982 A983 E984 V989 Q990 M1049 Q1052 I1053 L1056P980-V986 HydrophobicContact CB-CG2 3.86Å; P980-V986 HydrophobicContact CG-CG2 3.99Å; S982-V986 WeakPolarHBondContact O-CG2 3.39Å; S982-V986 PolarHBondContact O-N 2.91Å; S982-V986 VanDerWaalsContact O-N 3.09Å; A983-V986 WeakPolarHBondContact O-CB 3.41Å; A983-V986 PolarHBondContact O-N 3.09Å; A983-V986 VanDerWaalsContact O-N 3.12Å; E984-V986 VanDerWaalsContact C-N 3.29Å; E984-V986 PolarHBondContact O-N 3.25Å; V986-V989 PolarHBondContact O-N 3.21Å; V986-Q990 VanDerWaalsContact O-CB 3.26Å; V986-Q990 WeakPolarHBondContact O-CB 3.17Å; V986-Q990 PolarHBondContact O-N 3.36Å; V986-Q990 VanDerWaalsContact O-N 3.16Å; V986-M1049 VanDerWaalsContact CA-CE 3.47Å; V986-M1049 HydrophobicContact CB-CE 3.93Å; V986-M1049 HydrophobicContact CG1-CE 3.59Å; V986-M1049 VanDerWaalsContact CG1-CE 3.49Å; V986-M1049 HydrophobicContact CG1-CG 4.39Å; V986-M1049 HydrophobicContact CG2-CE 4.2Å; V986-M1049 WeakPolarHBondContact O-CE 3.43Å; V986-Q1052 HydrophobicContact CG2-CB 3.89Å; V986-I1053 HydrophobicContact CB-CG1 4.43Å; V986-I1053 HydrophobicContact CG1-CD1 3.81Å; V986-I1053 HydrophobicContact CG1-CG1 3.77Å; V986-I1053 VanDerWaalsContact CG1-CG1 3.46Å; V986-I1053 HydrophobicContact CG2-CG1 4.15Å; V986-L1056 HydrophobicContact CG2-CD1 3.99Å
987K64.3Low69.2Low110.75 Ų110.7569 Ų6948%0.48235%0.354SS..Hα-helixtrans-68-41.2-179.1-118.3-179.3-177.1173.80112.1A983 E984 Q990 S991 E1125 D1126A983-K987 PolarHBondContact O-N 3.04Å; A983-K987 VanDerWaalsContact O-N 3.17Å; E984-K987 PolarHBondContact O-N 3.05Å; E984-K987 VanDerWaalsContact O-N 3.14Å; K987-Q990 PolarHBondContact O-N 3.31Å; K987-S991 WeakPolarHBondContact O-CB 3.43Å; K987-S991 PolarHBondContact O-N 3.13Å; K987-S991 PolarHBondContact O-OG 3.36Å; K987-E1125 PolarHBondContact NZ-O 3.01Å; K987-E1125 IonicContact NZ-OE1 3.47Å; K987-D1126 HydrophobicContact CB-CB 4.42Å; K987-D1126 HydrophobicContact CD-CB 4.26Å; K987-D1126 WeakPolarHBondContact CD-OD1 3.36Å; K987-D1126 WeakPolarHBondContact CE-OD1 3.38Å; K987-D1126 IonicContact NZ-OD1 3.23Å; K987-D1126 PolarHBondContact NZ-OD1 3.1Å
988T68.5Low69.4Low74 Ų7472.9 Ų72.945%0.45436%0.362SS..Hα-helixtrans-63.7-48.8177.5490000111.1E984 E985 Q990 S991 V992E984-T988 WeakPolarHBondContact O-CB 3.43Å; E984-T988 VanDerWaalsContact O-CG2 3.28Å; E984-T988 WeakPolarHBondContact O-CG2 3.37Å; E984-T988 PolarHBondContact O-N 3.02Å; E984-T988 PolarHBondContact O-OG1 3.13Å; E985-T988 VanDerWaalsContact C-OG1 3.28Å; E985-T988 VanDerWaalsContact CA-OG1 3.25Å; E985-T988 WeakPolarHBondContact CA-OG1 3.42Å; E985-T988 PolarHBondContact O-N 3.35Å; E985-T988 PolarHBondContact O-OG1 3.03Å; T988-Q990 VanDerWaalsContact C-N 3.29Å; T988-Q990 PolarHBondContact O-N 3.16Å; T988-S991 WeakPolarHBondContact O-CB 3.46Å; T988-S991 PolarHBondContact O-N 2.99Å; T988-S991 VanDerWaalsContact O-N 3.1Å; T988-S991 PolarHBondContact O-OG 3.14Å; T988-V992 VanDerWaalsContact O-CB 3.32Å; T988-V992 WeakPolarHBondContact O-CB 3.34Å; T988-V992 VanDerWaalsContact O-CG2 3.28Å; T988-V992 WeakPolarHBondContact O-CG2 3.33Å; T988-V992 PolarHBondContact O-N 3.25Å
989V69.4Low69.9Low13.5 Ų13.572.2 Ų72.28%0.08236%0.357CS..Hα-helixtrans-60.6-36.5178.9168.20000112.3P980 E985 V986 V992 Y993 H1045 M1049P980-V989 HydrophobicContact CB-CG2 4.27Å; P980-V989 HydrophobicContact CG-CB 4.42Å; P980-V989 HydrophobicContact CG-CG1 4.32Å; P980-V989 HydrophobicContact CG-CG2 4.39Å; E985-V989 WeakPolarHBondContact O-CB 3.29Å; E985-V989 WeakPolarHBondContact O-CG2 3.39Å; E985-V989 PolarHBondContact O-N 2.95Å; V986-V989 PolarHBondContact O-N 3.21Å; V989-V992 WeakPolarHBondContact O-CB 3.02Å; V989-V992 PolarHBondContact O-N 2.93Å; V989-Y993 WeakPolarHBondContact O-CB 3.04Å; V989-Y993 PolarHBondContact O-N 2.9Å; V989-H1045 WeakPolarHBondContact CG1-CE1 3.42Å; V989-H1045 WeakPolarHBondContact CG1-NE2 3.36Å; V989-H1045 PolarHBondContact O-NE2 3.39Å; V989-M1049 HydrophobicContact CB-CE 4.07Å; V989-M1049 HydrophobicContact CB-SD 4.48Å; V989-M1049 HydrophobicContact CG1-CE 3.93Å; V989-M1049 HydrophobicContact CG1-SD 4.12Å
990Q71.2Confident70.8Confident96.25 Ų96.2567 Ų6745%0.4534%0.34SS..Hα-helixtrans-73.4-36.5177.1-161.9155.49.600113.2V986 K987 T988 V992 Y993 L994 M1049V986-Q990 VanDerWaalsContact O-CB 3.26Å; V986-Q990 WeakPolarHBondContact O-CB 3.17Å; V986-Q990 PolarHBondContact O-N 3.36Å; V986-Q990 VanDerWaalsContact O-N 3.16Å; K987-Q990 PolarHBondContact O-N 3.31Å; T988-Q990 VanDerWaalsContact C-N 3.29Å; T988-Q990 PolarHBondContact O-N 3.16Å; Q990-V992 VanDerWaalsContact C-N 3.32Å; Q990-Y993 PolarHBondContact O-N 3.16Å; Q990-L994 WeakPolarHBondContact O-CG 3.04Å; Q990-L994 PolarHBondContact O-N 2.98Å; Q990-M1049 HydrophobicContact CB-CE 4.21Å; Q990-M1049 HydrophobicContact CB-SD 3.96Å; Q990-M1049 HydrophobicContact CG-SD 4.37Å
991S73.5Confident71.6Confident63 Ų6369.9 Ų69.944%0.44136%0.364SS..Hα-helixtrans-63.7-40.6172.395.10000111.7K987 T988 Y993 L994 N995K987-S991 WeakPolarHBondContact O-CB 3.43Å; K987-S991 PolarHBondContact O-N 3.13Å; K987-S991 PolarHBondContact O-OG 3.36Å; T988-S991 WeakPolarHBondContact O-CB 3.46Å; T988-S991 PolarHBondContact O-N 2.99Å; T988-S991 VanDerWaalsContact O-N 3.1Å; T988-S991 PolarHBondContact O-OG 3.14Å; S991-Y993 VanDerWaalsContact C-N 3.35Å; S991-Y993 PolarHBondContact O-N 3.08Å; S991-L994 PolarHBondContact O-N 3.28Å; S991-N995 WeakPolarHBondContact O-CB 3.3Å; S991-N995 VanDerWaalsContact O-CG 3.28Å; S991-N995 PolarHBondContact O-N 3.39Å; S991-N995 VanDerWaalsContact O-N 3.16Å; S991-N995 PolarHBondContact O-ND2 3.23Å
992V73.5Confident72.5Confident40 Ų4067.8 Ų67.824%0.24235%0.354CS..Hα-helixtrans-62.2-44.8177.1165.80000110.8T988 V989 Q990 L994 N995 F996T988-V992 VanDerWaalsContact O-CB 3.32Å; T988-V992 WeakPolarHBondContact O-CB 3.34Å; T988-V992 VanDerWaalsContact O-CG2 3.28Å; T988-V992 WeakPolarHBondContact O-CG2 3.33Å; T988-V992 PolarHBondContact O-N 3.25Å; V989-V992 WeakPolarHBondContact O-CB 3.02Å; V989-V992 PolarHBondContact O-N 2.93Å; Q990-V992 VanDerWaalsContact C-N 3.32Å; V992-L994 PolarHBondContact O-N 3.02Å; V992-N995 WeakPolarHBondContact O-CB 3.26Å; V992-N995 PolarHBondContact O-N 3.17Å; V992-F996 HydrophobicContact CG1-CD2 3.66Å; V992-F996 HydrophobicContact CG1-CE2 3.63Å; V992-F996 VanDerWaalsContact CG1-CE2 3.48Å; V992-F996 VanDerWaalsContact O-CD2 3.28Å; V992-F996 WeakPolarHBondContact O-CD2 3.35Å; V992-F996 PolarHBondContact O-N 3.38Å; V992-F996 VanDerWaalsContact O-N 3.12Å
993Y75.3Confident73.4Confident50.5 Ų50.566.9 Ų66.920%0.19835%0.348CS..Hα-helixtrans-57.3-49.2175.2170.8-96.8000112.6L976 V989 Q990 S991 N995 F996 A997 L1042 H1045L976-Y993 HydrophobicContact CD2-CD2 3.91Å; L976-Y993 HydrophobicContact CD2-CE2 4.46Å; L976-Y993 HydrophobicContact CD2-CG 4.42Å; V989-Y993 WeakPolarHBondContact O-CB 3.04Å; V989-Y993 PolarHBondContact O-N 2.9Å; Q990-Y993 PolarHBondContact O-N 3.16Å; S991-Y993 VanDerWaalsContact C-N 3.35Å; S991-Y993 PolarHBondContact O-N 3.08Å; Y993-N995 VanDerWaalsContact C-N 3.29Å; Y993-N995 PolarHBondContact O-N 3.22Å; Y993-F996 PolarHBondContact O-N 3Å; Y993-A997 VanDerWaalsContact O-CB 3.29Å; Y993-A997 WeakPolarHBondContact O-CB 3.44Å; Y993-A997 PolarHBondContact O-N 3.16Å; Y993-A997 VanDerWaalsContact O-N 3.09Å; Y993-L1042 HydrophobicContact CD2-CD2 4.18Å; Y993-L1042 HydrophobicContact CE2-CD2 3.73Å; Y993-L1042 HydrophobicContact CE2-CG 4.22Å; Y993-L1042 WeakPolarHBondContact CE2-O 3.5Å; Y993-H1045 HydrophobicContact CD2-CB 4.13Å; Y993-H1045 AromaticContact CD2-CD2 3.65Å; Y993-H1045 WeakPolarHBondContact CD2-CD2 3.26Å; Y993-H1045 AromaticContact CD2-CG 3.69Å; Y993-H1045 HydrophobicContact CE2-CB 4.15Å; Y993-H1045 AromaticContact CE2-CD2 3.93Å; Y993-H1045 AromaticContact CG-CD2 3.74Å
994L77.1Confident74.4Confident98 Ų9869.5 Ų69.551%0.51336%0.359SS..Hα-helixtrans-64.2-34.7179.6-72.6171000112.4Q990 S991 V992 K998Q990-L994 WeakPolarHBondContact O-CG 3.04Å; Q990-L994 PolarHBondContact O-N 2.98Å; S991-L994 PolarHBondContact O-N 3.28Å; V992-L994 PolarHBondContact O-N 3.02Å; L994-K998 WeakPolarHBondContact O-CG 3.38Å; L994-K998 PolarHBondContact O-N 3.17Å; L994-K998 VanDerWaalsContact O-N 3.12Å
995N79.4Confident75.4Confident80.75 Ų80.7569.2 Ų69.243%0.43236%0.363SS..Hα-helixtrans-67.5-47.8176.9-122.5-6.1000111.6S991 V992 Y993 A997 K998 K999S991-N995 WeakPolarHBondContact O-CB 3.3Å; S991-N995 VanDerWaalsContact O-CG 3.28Å; S991-N995 PolarHBondContact O-N 3.39Å; S991-N995 VanDerWaalsContact O-N 3.16Å; S991-N995 PolarHBondContact O-ND2 3.23Å; V992-N995 WeakPolarHBondContact O-CB 3.26Å; V992-N995 PolarHBondContact O-N 3.17Å; Y993-N995 VanDerWaalsContact C-N 3.29Å; Y993-N995 PolarHBondContact O-N 3.22Å; N995-A997 VanDerWaalsContact C-N 3.32Å; N995-A997 PolarHBondContact O-N 3.14Å; N995-K998 PolarHBondContact O-N 3.18Å; N995-K998 VanDerWaalsContact O-N 3.16Å; N995-K999 WeakPolarHBondContact O-CB 3.48Å; N995-K999 WeakPolarHBondContact O-CG 3.43Å; N995-K999 PolarHBondContact O-N 3.09Å; N995-K999 VanDerWaalsContact O-N 3.12Å; N995-K999 WeakPolarHBondContact OD1-CE 3.2Å
996F80.5Confident76.1Confident11.75 Ų11.7567.9 Ų67.95%0.05236%0.358CS..Hα-helixtrans-69.7-31.3178.9-76.3-60.6000113.2E971 A972 V992 Y993 K998 K999 K1000 I1003 F1038E971-F996 HydrophobicContact CB-CZ 4.5Å; E971-F996 HydrophobicContact CG-CZ 4.31Å; A972-F996 VanDerWaalsContact CA-CZ 3.47Å; A972-F996 HydrophobicContact CB-CD1 3.53Å; A972-F996 VanDerWaalsContact CB-CD1 3.46Å; A972-F996 HydrophobicContact CB-CD2 4.35Å; A972-F996 HydrophobicContact CB-CE1 3.44Å; A972-F996 VanDerWaalsContact CB-CE1 3.44Å; A972-F996 HydrophobicContact CB-CE2 4.26Å; A972-F996 HydrophobicContact CB-CG 4.02Å; A972-F996 HydrophobicContact CB-CZ 3.84Å; V992-F996 HydrophobicContact CG1-CD2 3.66Å; V992-F996 HydrophobicContact CG1-CE2 3.63Å; V992-F996 VanDerWaalsContact CG1-CE2 3.48Å; V992-F996 VanDerWaalsContact O-CD2 3.28Å; V992-F996 WeakPolarHBondContact O-CD2 3.35Å; V992-F996 PolarHBondContact O-N 3.38Å; V992-F996 VanDerWaalsContact O-N 3.12Å; Y993-F996 PolarHBondContact O-N 3Å; F996-K998 VanDerWaalsContact C-N 3.33Å; F996-K998 PolarHBondContact O-N 3.24Å; F996-K999 CarbonylContact O-C 3.49Å; F996-K999 PolarHBondContact O-N 3.16Å; F996-K1000 PolarHBondContact O-N 3.27Å; F996-K1000 VanDerWaalsContact O-N 3.14Å; F996-I1003 HydrophobicContact CD1-CD1 4.48Å; F996-F1038 HydrophobicContact CB-CE2 4.1Å; F996-F1038 HydrophobicContact CB-CZ 4.38Å; F996-F1038 HydrophobicContact CD1-CE2 4.4Å; F996-F1038 HydrophobicContact CG-CE2 4.45Å
997A77.2Confident76.9Confident43.25 Ų43.2568.6 Ų68.636%0.35736%0.364SS..Hα-helixtrans-62-39.4171.800000112.2Y993 N995 K1000 L1042Y993-A997 VanDerWaalsContact O-CB 3.29Å; Y993-A997 WeakPolarHBondContact O-CB 3.44Å; Y993-A997 PolarHBondContact O-N 3.16Å; Y993-A997 VanDerWaalsContact O-N 3.09Å; N995-A997 VanDerWaalsContact C-N 3.32Å; N995-A997 PolarHBondContact O-N 3.14Å; A997-K1000 WeakPolarHBondContact O-CB 3.05Å; A997-L1042 HydrophobicContact CB-CD2 4.26Å
998K79.3Confident77.8Confident167.5 Ų167.567.7 Ų67.773%0.72837%0.368SS*.Hα-helixtrans-70.9-40.1175-72.1176.6-178.2178.20112.5L994 N995 F996 K1000L994-K998 WeakPolarHBondContact O-CG 3.38Å; L994-K998 PolarHBondContact O-N 3.17Å; L994-K998 VanDerWaalsContact O-N 3.12Å; N995-K998 PolarHBondContact O-N 3.18Å; N995-K998 VanDerWaalsContact O-N 3.16Å; F996-K998 VanDerWaalsContact C-N 3.33Å; F996-K998 PolarHBondContact O-N 3.24Å; K998-K1000 PolarHBondContact O-N 3.24Å
999K79Confident78.4Confident84.5 Ų84.569.5 Ų69.537%0.36737%0.37SS..Hα-helixtrans-73-6.8-179.7-73.1-176.6175-176.90114.5N995 F996 A1001 E1002 I1003N995-K999 WeakPolarHBondContact O-CB 3.48Å; N995-K999 WeakPolarHBondContact O-CG 3.43Å; N995-K999 PolarHBondContact O-N 3.09Å; N995-K999 VanDerWaalsContact O-N 3.12Å; N995-K999 WeakPolarHBondContact OD1-CE 3.2Å; F996-K999 CarbonylContact O-C 3.49Å; F996-K999 PolarHBondContact O-N 3.16Å; K999-A1001 VanDerWaalsContact C-N 3.31Å; K999-A1001 PolarHBondContact O-N 3.12Å; K999-E1002 WeakPolarHBondContact O-CA 3.5Å; K999-E1002 WeakPolarHBondContact O-CB 3.38Å; K999-E1002 PolarHBondContact O-N 3.41Å; K999-I1003 HydrophobicContact CB-CD1 4.34Å; K999-I1003 WeakPolarHBondContact O-CG1 3.39Å; K999-I1003 PolarHBondContact O-N 2.99Å
1000K81.2Confident79.1Confident84.5 Ų84.569 Ų6937%0.36737%0.367SS..Hα-helixtrans-52.4-46.8-179178.8170.2176.7160.90113F996 A997 K998 E1002 I1003 D1004 F1038 N1039 L1042F996-K1000 PolarHBondContact O-N 3.27Å; F996-K1000 VanDerWaalsContact O-N 3.14Å; A997-K1000 WeakPolarHBondContact O-CB 3.05Å; K998-K1000 PolarHBondContact O-N 3.24Å; K1000-E1002 VanDerWaalsContact C-N 3.29Å; K1000-E1002 PolarHBondContact O-N 3.09Å; K1000-I1003 PolarHBondContact O-N 3.44Å; K1000-D1004 WeakPolarHBondContact O-CB 3.5Å; K1000-D1004 PolarHBondContact O-N 3.36Å; K1000-D1004 VanDerWaalsContact O-N 3.14Å; K1000-F1038 HydrophobicContact CB-CE1 4.45Å; K1000-F1038 HydrophobicContact CG-CE1 4.39Å; K1000-N1039 WeakPolarHBondContact CE-OD1 3.37Å; K1000-N1039 PolarHBondContact NZ-OD1 2.9Å; K1000-L1042 HydrophobicContact CD-CD1 4.28Å
1001A81.3Confident79.7Confident68.4 Ų68.467.2 Ų67.257%0.56536%0.358SS*.Hα-helixtrans-63.8-35.5179.400000112.5K999 D1004 T1005K999-A1001 VanDerWaalsContact C-N 3.31Å; K999-A1001 PolarHBondContact O-N 3.12Å; A1001-D1004 PolarHBondContact O-N 2.93Å; A1001-T1005 VanDerWaalsContact O-CG2 3.32Å; A1001-T1005 WeakPolarHBondContact O-CG2 3.34Å; A1001-T1005 PolarHBondContact O-N 2.99Å; A1001-T1005 VanDerWaalsContact O-N 3.12Å; A1001-T1005 PolarHBondContact O-OG1 3.3Å
1002E80Confident80.1Confident113.2 Ų113.266.4 Ų66.453%0.52936%0.356SS..Hα-helixtrans-69.1-40.6177.1-63175.6-177.100111.4K999 K1000 D1004 T1005 M1006K999-E1002 WeakPolarHBondContact O-CA 3.5Å; K999-E1002 WeakPolarHBondContact O-CB 3.38Å; K999-E1002 PolarHBondContact O-N 3.41Å; K1000-E1002 VanDerWaalsContact C-N 3.29Å; K1000-E1002 PolarHBondContact O-N 3.09Å; E1002-D1004 VanDerWaalsContact C-N 3.33Å; E1002-D1004 PolarHBondContact O-N 3.24Å; E1002-T1005 WeakPolarHBondContact CA-OG1 3.33Å; E1002-T1005 PolarHBondContact O-N 3.26Å; E1002-T1005 PolarHBondContact O-OG1 3.19Å; E1002-M1006 HydrophobicContact CB-CE 4.15Å; E1002-M1006 WeakPolarHBondContact O-CB 3.33Å; E1002-M1006 WeakPolarHBondContact O-CE 3.43Å; E1002-M1006 WeakPolarHBondContact O-CG 3.32Å; E1002-M1006 PolarHBondContact O-N 3.18Å; E1002-M1006 VanDerWaalsContact O-N 3.09Å
1003I79.7Confident80.6Confident9.4 Ų9.465.3 Ų65.35%0.04835%0.348CS..Hα-helixtrans-63.5-42.5177.3-66.4169.7000110.9V968 L969 F996 K999 K1000 T1005 M1006 A1007 F1038V968-I1003 HydrophobicContact CG1-CD1 3.95Å; V968-I1003 HydrophobicContact CG1-CG1 3.95Å; L969-I1003 HydrophobicContact CD2-CG2 3.67Å; L969-I1003 HydrophobicContact CG-CG2 4.23Å; F996-I1003 HydrophobicContact CD1-CD1 4.48Å; K999-I1003 HydrophobicContact CB-CD1 4.34Å; K999-I1003 WeakPolarHBondContact O-CG1 3.39Å; K999-I1003 PolarHBondContact O-N 2.99Å; K1000-I1003 PolarHBondContact O-N 3.44Å; I1003-T1005 VanDerWaalsContact C-N 3.34Å; I1003-T1005 PolarHBondContact O-N 3.06Å; I1003-M1006 HydrophobicContact CG1-CE 4.26Å; I1003-M1006 PolarHBondContact O-N 3.21Å; I1003-A1007 WeakPolarHBondContact O-CB 3.3Å; I1003-A1007 PolarHBondContact O-N 3.15Å; I1003-A1007 VanDerWaalsContact O-N 3.1Å; I1003-F1038 HydrophobicContact CD1-CE1 4.05Å; I1003-F1038 HydrophobicContact CD1-CE2 4.38Å; I1003-F1038 HydrophobicContact CD1-CZ 3.93Å; I1003-F1038 HydrophobicContact CG2-CD1 4.46Å; I1003-F1038 HydrophobicContact CG2-CE1 4.34Å
1004D80.8Confident81.1Confident70.8 Ų70.863.7 Ų63.738%0.37934%0.342SS..Hα-helixtrans-63.7-40176.9-71.8-26.7000111.7K1000 A1001 E1002 A1007 T1008K1000-D1004 WeakPolarHBondContact O-CB 3.5Å; K1000-D1004 PolarHBondContact O-N 3.36Å; K1000-D1004 VanDerWaalsContact O-N 3.14Å; A1001-D1004 PolarHBondContact O-N 2.93Å; E1002-D1004 VanDerWaalsContact C-N 3.33Å; E1002-D1004 PolarHBondContact O-N 3.24Å; D1004-A1007 PolarHBondContact O-N 3.4Å; D1004-T1008 WeakPolarHBondContact O-CB 3.32Å; D1004-T1008 VanDerWaalsContact O-CG2 3.29Å; D1004-T1008 WeakPolarHBondContact O-CG2 3.41Å; D1004-T1008 PolarHBondContact O-N 2.98Å; D1004-T1008 VanDerWaalsContact O-N 3.1Å; D1004-T1008 PolarHBondContact O-OG1 3.47Å
1005T82.8Confident81.5Confident79.4 Ų79.463.1 Ų63.149%0.48734%0.337SS..Hα-helixtrans-68.3-37.2175.655.70000112.9A1001 E1002 I1003 A1007 T1008 K1009A1001-T1005 VanDerWaalsContact O-CG2 3.32Å; A1001-T1005 WeakPolarHBondContact O-CG2 3.34Å; A1001-T1005 PolarHBondContact O-N 2.99Å; A1001-T1005 VanDerWaalsContact O-N 3.12Å; A1001-T1005 PolarHBondContact O-OG1 3.3Å; E1002-T1005 WeakPolarHBondContact CA-OG1 3.33Å; E1002-T1005 PolarHBondContact O-N 3.26Å; E1002-T1005 PolarHBondContact O-OG1 3.19Å; I1003-T1005 VanDerWaalsContact C-N 3.34Å; I1003-T1005 PolarHBondContact O-N 3.06Å; T1005-A1007 VanDerWaalsContact C-N 3.34Å; T1005-A1007 PolarHBondContact O-N 2.86Å; T1005-T1008 VanDerWaalsContact CA-OG1 3.3Å; T1005-T1008 WeakPolarHBondContact CA-OG1 3.22Å; T1005-T1008 PolarHBondContact O-N 3.42Å; T1005-T1008 PolarHBondContact O-OG1 3.24Å; T1005-K1009 WeakPolarHBondContact O-CB 3.21Å; T1005-K1009 WeakPolarHBondContact O-CG 3.47Å; T1005-K1009 PolarHBondContact O-N 3.23Å; T1005-K1009 VanDerWaalsContact O-N 3.12Å
1006M80.6Confident81.8Confident55.2 Ų55.260.1 Ų60.127%0.27232%0.32SS..Hα-helixtrans-64.7-43175.3-111.8-175.3-83.500111.6Q964 A965 E1002 I1003 T1008 K1009 L1010Q964-M1006 HydrophobicContact CG-CE 4.39Å; Q964-M1006 HydrophobicContact CG-SD 4.28Å; A965-M1006 WeakPolarHBondContact CA-SD 3.27Å; A965-M1006 HydrophobicContact CB-CG 4.06Å; A965-M1006 HydrophobicContact CB-SD 3.78Å; E1002-M1006 HydrophobicContact CB-CE 4.15Å; E1002-M1006 WeakPolarHBondContact O-CB 3.33Å; E1002-M1006 WeakPolarHBondContact O-CE 3.43Å; E1002-M1006 WeakPolarHBondContact O-CG 3.32Å; E1002-M1006 PolarHBondContact O-N 3.18Å; E1002-M1006 VanDerWaalsContact O-N 3.09Å; I1003-M1006 HydrophobicContact CG1-CE 4.26Å; I1003-M1006 PolarHBondContact O-N 3.21Å; M1006-T1008 VanDerWaalsContact C-N 3.34Å; M1006-T1008 PolarHBondContact O-N 3.21Å; M1006-K1009 PolarHBondContact O-N 3.21Å; M1006-L1010 WeakPolarHBondContact O-CB 3.26Å; M1006-L1010 PolarHBondContact O-N 3.06Å; M1006-L1010 VanDerWaalsContact O-N 3.12Å
1007A80.4Confident82Confident25.2 Ų25.260.7 Ų60.721%0.20832%0.323CS..Hα-helixtrans-62.3-40.2178.200000112.5I1003 D1004 T1005 L1010 E1011 V1035I1003-A1007 WeakPolarHBondContact O-CB 3.3Å; I1003-A1007 PolarHBondContact O-N 3.15Å; I1003-A1007 VanDerWaalsContact O-N 3.1Å; D1004-A1007 PolarHBondContact O-N 3.4Å; T1005-A1007 VanDerWaalsContact C-N 3.34Å; T1005-A1007 PolarHBondContact O-N 2.86Å; A1007-L1010 PolarHBondContact O-N 3.12Å; A1007-E1011 WeakPolarHBondContact O-CB 3.34Å; A1007-E1011 PolarHBondContact O-N 3.34Å; A1007-V1035 HydrophobicContact CB-CG2 4.25Å
1008T82.6Confident82.4Confident92.2 Ų92.263.3 Ų63.357%0.56633%0.326SS*.Hα-helixtrans-68.2-39.3178.150.90000113.1D1004 T1005 M1006 E1011 A1012D1004-T1008 WeakPolarHBondContact O-CB 3.32Å; D1004-T1008 VanDerWaalsContact O-CG2 3.29Å; D1004-T1008 WeakPolarHBondContact O-CG2 3.41Å; D1004-T1008 PolarHBondContact O-N 2.98Å; D1004-T1008 VanDerWaalsContact O-N 3.1Å; D1004-T1008 PolarHBondContact O-OG1 3.47Å; T1005-T1008 VanDerWaalsContact CA-OG1 3.3Å; T1005-T1008 WeakPolarHBondContact CA-OG1 3.22Å; T1005-T1008 PolarHBondContact O-N 3.42Å; T1005-T1008 PolarHBondContact O-OG1 3.24Å; M1006-T1008 VanDerWaalsContact C-N 3.34Å; M1006-T1008 PolarHBondContact O-N 3.21Å; T1008-E1011 PolarHBondContact O-N 3.15Å; T1008-A1012 WeakPolarHBondContact O-CB 3.38Å; T1008-A1012 PolarHBondContact O-N 3.04Å; T1008-A1012 VanDerWaalsContact O-N 3.15Å
1009K81.7Confident82.6Confident112 Ų11261.1 Ų61.149%0.48732%0.322SS..Hα-helixtrans-64.8-42.8175.1-73.6-171.2177.6-157.10112.4E898 T1005 M1006 E1011 A1012 K1013E898-K1009 IonicContact OE1-NZ 3.31Å; E898-K1009 PolarHBondContact OE1-NZ 3.24Å; E898-K1009 IonicContact OE2-NZ 2.75Å; T1005-K1009 WeakPolarHBondContact O-CB 3.21Å; T1005-K1009 WeakPolarHBondContact O-CG 3.47Å; T1005-K1009 PolarHBondContact O-N 3.23Å; T1005-K1009 VanDerWaalsContact O-N 3.12Å; M1006-K1009 PolarHBondContact O-N 3.21Å; K1009-E1011 VanDerWaalsContact C-N 3.32Å; K1009-E1011 PolarHBondContact O-N 3.05Å; K1009-A1012 PolarHBondContact O-N 3Å; K1009-K1013 PolarHBondContact O-N 3.12Å; K1009-K1013 VanDerWaalsContact O-N 3.13Å
1010L83.9Confident82.8Confident2.6 Ų2.658.8 Ų58.81%0.01432%0.315CS..Hα-helixtrans-61.5-41.6176.8178.362.2000111.5C958 D961 A965 M1006 A1007 A1012 K1013 H1014 M1028 T1031C958-L1010 WeakPolarHBondContact O-CD1 3.41Å; D961-L1010 HydrophobicContact CB-CD1 3.69Å; A965-L1010 HydrophobicContact CB-CD2 4.19Å; M1006-L1010 WeakPolarHBondContact O-CB 3.26Å; M1006-L1010 PolarHBondContact O-N 3.06Å; M1006-L1010 VanDerWaalsContact O-N 3.12Å; A1007-L1010 PolarHBondContact O-N 3.12Å; L1010-A1012 VanDerWaalsContact C-N 3.34Å; L1010-A1012 PolarHBondContact O-N 3.1Å; L1010-K1013 PolarHBondContact O-N 3.16Å; L1010-H1014 VanDerWaalsContact O-CB 3.25Å; L1010-H1014 WeakPolarHBondContact O-CB 3.33Å; L1010-H1014 PolarHBondContact O-N 3.08Å; L1010-H1014 VanDerWaalsContact O-N 3.1Å; L1010-M1028 HydrophobicContact CB-CE 4.13Å; L1010-M1028 HydrophobicContact CD1-CE 3.9Å; L1010-M1028 HydrophobicContact CD1-SD 4.41Å; L1010-M1028 HydrophobicContact CD2-CE 3.64Å; L1010-M1028 VanDerWaalsContact CD2-CE 3.48Å; L1010-M1028 HydrophobicContact CD2-SD 3.74Å; L1010-M1028 VanDerWaalsContact CD2-SD 3.59Å; L1010-M1028 HydrophobicContact CG-CE 3.41Å; L1010-M1028 VanDerWaalsContact CG-CE 3.41Å; L1010-M1028 HydrophobicContact CG-SD 3.82Å; L1010-T1031 HydrophobicContact CD2-CG2 4.25Å
1011E83Confident82.8Confident58.2 Ų58.256.6 Ų56.627%0.27231%0.311SS..Hα-helixtrans-64-38.6176.9-164.685.9-134.700111.9A1007 T1008 K1009 H1014 Q1015 M1028 R1032A1007-E1011 WeakPolarHBondContact O-CB 3.34Å; A1007-E1011 PolarHBondContact O-N 3.34Å; T1008-E1011 PolarHBondContact O-N 3.15Å; K1009-E1011 VanDerWaalsContact C-N 3.32Å; K1009-E1011 PolarHBondContact O-N 3.05Å; E1011-H1014 PolarHBondContact O-N 3.14Å; E1011-H1014 IonicContact OE1-CD2 3.4Å; E1011-H1014 IonicContact OE1-ND1 2.6Å; E1011-H1014 PolarHBondContact OE1-ND1 3.37Å; E1011-Q1015 VanDerWaalsContact O-CB 3.3Å; E1011-Q1015 WeakPolarHBondContact O-CB 3.37Å; E1011-Q1015 VanDerWaalsContact O-CG 3.28Å; E1011-Q1015 WeakPolarHBondContact O-CG 3.28Å; E1011-Q1015 PolarHBondContact O-N 3.36Å; E1011-Q1015 VanDerWaalsContact O-N 3.12Å; E1011-M1028 HydrophobicContact CB-CE 4.25Å; E1011-M1028 WeakPolarHBondContact OE2-CE 3.27Å; E1011-R1032 VanDerWaalsContact CD-NH2 3.3Å; E1011-R1032 IonicContact OE1-CZ 3.16Å; E1011-R1032 IonicContact OE1-NE 3.33Å; E1011-R1032 IonicContact OE1-NH2 3.33Å; E1011-R1032 PolarHBondContact OE1-NH2 3.2Å; E1011-R1032 IonicContact OE2-CZ 3.65Å; E1011-R1032 IonicContact OE2-NE 3.03Å; E1011-R1032 PolarHBondContact OE2-NE 3.17Å; E1011-R1032 VanDerWaalsContact OE2-NE 3.08Å; E1011-R1032 IonicContact OE2-NH2 2.76Å; E1011-R1032 PolarHBondContact OE2-NH2 3.08Å; E1011-R1032 VanDerWaalsContact OE2-NH2 3.14Å
1012A83.7Confident82.7Confident47.4 Ų47.456.8 Ų56.839%0.39232%0.319SS..Hα-helixtrans-65.5-44.2175.700000112.9P899 T1008 K1009 L1010 Q1015 L1016P899-A1012 HydrophobicContact CG-CB 4.09Å; T1008-A1012 WeakPolarHBondContact O-CB 3.38Å; T1008-A1012 PolarHBondContact O-N 3.04Å; T1008-A1012 VanDerWaalsContact O-N 3.15Å; K1009-A1012 PolarHBondContact O-N 3Å; L1010-A1012 VanDerWaalsContact C-N 3.34Å; L1010-A1012 PolarHBondContact O-N 3.1Å; A1012-Q1015 PolarHBondContact O-N 3.23Å; A1012-L1016 PolarHBondContact O-N 3.18Å; A1012-L1016 VanDerWaalsContact O-N 3.15Å
1013K84.1Confident82.5Confident16.8 Ų16.854.5 Ų54.57%0.07332%0.315CS..Hα-helixtrans-63.8-42.2175-72-174-178.5175.90112P899 S957 C958 D961 K1009 L1010 Q1015 L1016 Y1017P899-K1013 HydrophobicContact CB-CG 4.24Å; P899-K1013 HydrophobicContact CG-CG 3.82Å; S957-K1013 PolarHBondContact OG-NZ 3.15Å; C958-K1013 HydrophobicContact CB-CB 4.49Å; C958-K1013 VanDerWaalsContact SG-CB 3.56Å; D961-K1013 IonicContact OD1-NZ 3.1Å; D961-K1013 PolarHBondContact OD1-NZ 3.14Å; D961-K1013 VanDerWaalsContact OD2-CD 3.29Å; D961-K1013 WeakPolarHBondContact OD2-CD 3.39Å; D961-K1013 VanDerWaalsContact OD2-CE 3.28Å; D961-K1013 WeakPolarHBondContact OD2-CE 3.31Å; D961-K1013 IonicContact OD2-NZ 3.23Å; D961-K1013 PolarHBondContact OD2-NZ 2.97Å; K1009-K1013 PolarHBondContact O-N 3.12Å; K1009-K1013 VanDerWaalsContact O-N 3.13Å; L1010-K1013 PolarHBondContact O-N 3.16Å; K1013-Q1015 VanDerWaalsContact C-N 3.33Å; K1013-Q1015 PolarHBondContact O-N 3.18Å; K1013-L1016 PolarHBondContact O-N 3.22Å; K1013-Y1017 PolarHBondContact O-N 3.07Å; K1013-Y1017 VanDerWaalsContact O-N 3.1Å
1014H85.3Confident82.2Confident17.2 Ų17.255.7 Ų55.78%0.0833%0.33CS..Hα-helixtrans-59.9-43.2176.3177.2111.4000111.9L1010 E1011 L1016 Y1017 K1018 G1024 I1025 M1028L1010-H1014 VanDerWaalsContact O-CB 3.25Å; L1010-H1014 WeakPolarHBondContact O-CB 3.33Å; L1010-H1014 PolarHBondContact O-N 3.08Å; L1010-H1014 VanDerWaalsContact O-N 3.1Å; E1011-H1014 PolarHBondContact O-N 3.14Å; E1011-H1014 IonicContact OE1-CD2 3.4Å; E1011-H1014 IonicContact OE1-ND1 2.6Å; E1011-H1014 PolarHBondContact OE1-ND1 3.37Å; H1014-L1016 PolarHBondContact O-N 3.27Å; H1014-Y1017 PolarHBondContact O-N 3.19Å; H1014-K1018 VanDerWaalsContact O-CB 3.31Å; H1014-K1018 WeakPolarHBondContact O-CB 3.36Å; H1014-K1018 PolarHBondContact O-N 3.04Å; H1014-G1024 WeakPolarHBondContact NE2-CA 3.16Å; H1014-I1025 PolarHBondContact CD2-N 3.14Å; H1014-I1025 PolarHBondContact CE1-N 3.11Å; H1014-I1025 VanDerWaalsContact CE1-N 3.34Å; H1014-I1025 PolarHBondContact CE1-O 3.09Å; H1014-I1025 VanDerWaalsContact CE1-O 3.27Å; H1014-I1025 PolarHBondContact NE2-N 3.14Å; H1014-M1028 HydrophobicContact CB-CE 4.22Å; H1014-M1028 HydrophobicContact CB-CG 4.42Å
1015Q85Confident82Confident84.6 Ų84.653.3 Ų53.340%0.39532%0.317SS..Hα-helixtrans-63.3-41178-107.8-25.1-400112.1E1011 A1012 K1013 K1018 N1019E1011-Q1015 VanDerWaalsContact O-CB 3.3Å; E1011-Q1015 WeakPolarHBondContact O-CB 3.37Å; E1011-Q1015 VanDerWaalsContact O-CG 3.28Å; E1011-Q1015 WeakPolarHBondContact O-CG 3.28Å; E1011-Q1015 PolarHBondContact O-N 3.36Å; E1011-Q1015 VanDerWaalsContact O-N 3.12Å; A1012-Q1015 PolarHBondContact O-N 3.23Å; K1013-Q1015 VanDerWaalsContact C-N 3.33Å; K1013-Q1015 PolarHBondContact O-N 3.18Å; Q1015-K1018 PolarHBondContact O-N 3.1Å; Q1015-N1019 WeakPolarHBondContact O-CB 3.36Å; Q1015-N1019 VanDerWaalsContact O-CG 3.22Å; Q1015-N1019 PolarHBondContact O-N 3.13Å; Q1015-N1019 VanDerWaalsContact O-N 3.09Å; Q1015-N1019 PolarHBondContact O-ND2 3.23Å; Q1015-N1019 PolarHBondContact O-OD1 3.46Å
1016L85.3Confident81.6Confident17.6 Ų17.657.9 Ų57.99%0.09233%0.333CS..Hα-helixtrans-62.7-47174.5-178.365.6000111.5P899 W902 E903 L954 A1012 K1013 H1014 K1018 N1019 V1020P899-L1016 HydrophobicContact CB-CD2 4.2Å; P899-L1016 VanDerWaalsContact O-CD2 3.25Å; P899-L1016 WeakPolarHBondContact O-CD2 3.37Å; W902-L1016 HydrophobicContact CB-CD2 3.74Å; E903-L1016 HydrophobicContact CB-CD1 4.05Å; E903-L1016 HydrophobicContact CB-CD2 4.27Å; E903-L1016 HydrophobicContact CG-CD1 4.01Å; L954-L1016 HydrophobicContact CD1-CD2 4.31Å; L954-L1016 HydrophobicContact CD2-CB 4.46Å; L954-L1016 HydrophobicContact CD2-CD2 4.09Å; L954-L1016 HydrophobicContact CD2-CG 4Å; A1012-L1016 PolarHBondContact O-N 3.18Å; A1012-L1016 VanDerWaalsContact O-N 3.15Å; K1013-L1016 PolarHBondContact O-N 3.22Å; H1014-L1016 PolarHBondContact O-N 3.27Å; L1016-K1018 VanDerWaalsContact C-N 3.32Å; L1016-K1018 PolarHBondContact O-N 3.11Å; L1016-N1019 PolarHBondContact O-N 3.36Å; L1016-N1019 VanDerWaalsContact O-N 3.16Å; L1016-V1020 HydrophobicContact CD1-CG2 4.2Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.36Å; L1016-V1020 PolarHBondContact O-N 3.12Å; L1016-V1020 VanDerWaalsContact O-N 3.16Å
1017Y86.2Confident81.2Confident24 Ų2459.1 Ų59.19%0.09434%0.338CS..Hα-helixtrans-58.9-44.1177.4178.7-98.6000111.7L951 L954 R955 K1013 H1014 N1019 V1020 S1021 S1023 I1025L951-Y1017 HydrophobicContact CD2-CD2 4.28Å; L951-Y1017 HydrophobicContact CD2-CE2 4.2Å; L951-Y1017 HydrophobicContact CG-CE2 4.26Å; L954-Y1017 HydrophobicContact CD2-CD2 4.25Å; L954-Y1017 HydrophobicContact CG-CD2 4.27Å; R955-Y1017 HydrophobicContact CB-CD2 4.24Å; R955-Y1017 HydrophobicContact CB-CE2 3.7Å; R955-Y1017 HydrophobicContact CG-CE2 4.16Å; K1013-Y1017 PolarHBondContact O-N 3.07Å; K1013-Y1017 VanDerWaalsContact O-N 3.1Å; H1014-Y1017 PolarHBondContact O-N 3.19Å; Y1017-N1019 VanDerWaalsContact C-N 3.32Å; Y1017-N1019 PolarHBondContact O-N 3.33Å; Y1017-V1020 PolarHBondContact O-N 3.1Å; Y1017-S1021 VanDerWaalsContact CE1-OG 3.28Å; Y1017-S1021 WeakPolarHBondContact CE1-OG 3.23Å; Y1017-S1021 VanDerWaalsContact O-CB 3.31Å; Y1017-S1021 WeakPolarHBondContact O-CB 3.39Å; Y1017-S1021 PolarHBondContact O-N 3.11Å; Y1017-S1021 PolarHBondContact O-OG 3.19Å; Y1017-S1023 WeakPolarHBondContact CD1-O 3.39Å; Y1017-S1023 VanDerWaalsContact CE1-O 3.27Å; Y1017-S1023 WeakPolarHBondContact CE1-O 3.32Å; Y1017-I1025 HydrophobicContact CD1-CD1 4.12Å; Y1017-I1025 HydrophobicContact CD1-CG1 3.87Å; Y1017-I1025 HydrophobicContact CE1-CD1 4.31Å; Y1017-I1025 HydrophobicContact CE1-CG1 3.86Å; Y1017-I1025 HydrophobicContact CG-CD1 4.39Å; Y1017-I1025 HydrophobicContact CG-CG1 4.46Å
1018K84.2Confident80.9Confident99 Ų9958.4 Ų58.443%0.4333%0.331SS..Hα-helixtrans-61.4-40.1177-175.5-179.4177.3-176.60112.1H1014 Q1015 L1016 V1020 G1022H1014-K1018 VanDerWaalsContact O-CB 3.31Å; H1014-K1018 WeakPolarHBondContact O-CB 3.36Å; H1014-K1018 PolarHBondContact O-N 3.04Å; Q1015-K1018 PolarHBondContact O-N 3.1Å; L1016-K1018 VanDerWaalsContact C-N 3.32Å; L1016-K1018 PolarHBondContact O-N 3.11Å; K1018-V1020 VanDerWaalsContact C-N 3.32Å; K1018-V1020 PolarHBondContact O-N 3.46Å; K1018-G1022 VanDerWaalsContact O-CA 3.25Å; K1018-G1022 WeakPolarHBondContact O-CA 3.39Å; K1018-G1022 PolarHBondContact O-N 3.25Å; K1018-G1022 VanDerWaalsContact O-N 3.12Å
1019N84.6Confident80.6Confident120.2 Ų120.259 Ų5964%0.64333%0.33SS*.Hα-helixtrans-67.8-34178.9-71.1-15.2000112.9Q1015 L1016 Y1017Q1015-N1019 WeakPolarHBondContact O-CB 3.36Å; Q1015-N1019 VanDerWaalsContact O-CG 3.22Å; Q1015-N1019 PolarHBondContact O-N 3.13Å; Q1015-N1019 VanDerWaalsContact O-N 3.09Å; Q1015-N1019 PolarHBondContact O-ND2 3.23Å; Q1015-N1019 PolarHBondContact O-OD1 3.46Å; L1016-N1019 PolarHBondContact O-N 3.36Å; L1016-N1019 VanDerWaalsContact O-N 3.16Å; Y1017-N1019 VanDerWaalsContact C-N 3.32Å; Y1017-N1019 PolarHBondContact O-N 3.33Å
1020V82.8Confident80.5Confident37 Ų3758.6 Ų58.622%0.22433%0.33CS..Hα-helixtrans-90.2-38.8-176.5-176.60000112.4F906 Y947 L951 L1016 Y1017 K1018F906-V1020 HydrophobicContact CD1-CG1 4.13Å; F906-V1020 HydrophobicContact CD2-CG1 4.26Å; F906-V1020 HydrophobicContact CD2-CG2 3.98Å; F906-V1020 HydrophobicContact CE1-CG1 3.84Å; F906-V1020 HydrophobicContact CE2-CB 4.42Å; F906-V1020 HydrophobicContact CE2-CG1 3.99Å; F906-V1020 HydrophobicContact CE2-CG2 4.07Å; F906-V1020 HydrophobicContact CG-CG1 4.29Å; F906-V1020 HydrophobicContact CG-CG2 4.41Å; F906-V1020 HydrophobicContact CZ-CG1 3.77Å; Y947-V1020 HydrophobicContact CE2-CG1 4.2Å; Y947-V1020 VanDerWaalsContact OH-CG1 3.27Å; Y947-V1020 WeakPolarHBondContact OH-CG1 3.39Å; Y947-V1020 PolarHBondContact OH-O 3.29Å; L951-V1020 HydrophobicContact CD1-CG1 3.93Å; L951-V1020 HydrophobicContact CD2-CB 4.31Å; L951-V1020 HydrophobicContact CD2-CG1 3.83Å; L951-V1020 HydrophobicContact CG-CG1 4.34Å; L1016-V1020 HydrophobicContact CD1-CG2 4.2Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.36Å; L1016-V1020 PolarHBondContact O-N 3.12Å; L1016-V1020 VanDerWaalsContact O-N 3.16Å; Y1017-V1020 PolarHBondContact O-N 3.1Å; K1018-V1020 VanDerWaalsContact C-N 3.32Å; K1018-V1020 PolarHBondContact O-N 3.46Å
1021S80.9Confident80.2Confident39.2 Ų39.258.7 Ų58.727%0.27433%0.331SS..Hα-helixtrans-90.8-15.5-177.273.40000114.2Y1017 S1023Y1017-S1021 VanDerWaalsContact CE1-OG 3.28Å; Y1017-S1021 WeakPolarHBondContact CE1-OG 3.23Å; Y1017-S1021 VanDerWaalsContact O-CB 3.31Å; Y1017-S1021 WeakPolarHBondContact O-CB 3.39Å; Y1017-S1021 PolarHBondContact O-N 3.11Å; Y1017-S1021 PolarHBondContact O-OG 3.19Å; S1021-S1023 PolarHBondContact O-N 3.1Å; S1021-S1023 VanDerWaalsContact O-N 3.15Å; S1021-S1023 PolarHBondContact OG-N 3.25Å; S1021-S1023 PolarHBondContact OG-O 3.16Å; S1021-S1023 PolarHBondContact OG-OG 3.15Å
1022G79.3Confident80.1Confident70.8 Ų70.861.8 Ų61.873%0.7334%0.34SS*.SBendtrans73.9-7.4-173.200000114.7K1018K1018-G1022 VanDerWaalsContact O-CA 3.25Å; K1018-G1022 WeakPolarHBondContact O-CA 3.39Å; K1018-G1022 PolarHBondContact O-N 3.25Å; K1018-G1022 VanDerWaalsContact O-N 3.12Å
1023S75.5Confident80.1Confident64.8 Ų64.865.2 Ų65.245%0.45335%0.348SS..  trans-126129.8-178.6610000111.2Y1017 S1021Y1017-S1023 WeakPolarHBondContact CD1-O 3.39Å; Y1017-S1023 VanDerWaalsContact CE1-O 3.27Å; Y1017-S1023 WeakPolarHBondContact CE1-O 3.32Å; S1021-S1023 PolarHBondContact O-N 3.1Å; S1021-S1023 VanDerWaalsContact O-N 3.15Å; S1021-S1023 PolarHBondContact OG-N 3.25Å; S1021-S1023 PolarHBondContact OG-O 3.16Å; S1021-S1023 PolarHBondContact OG-OG 3.15Å
1024G74Confident80Confident35.8 Ų35.865.2 Ų65.237%0.36935%0.349SS..  trans-81154.7174.700000112.1H1014 Q1026H1014-G1024 WeakPolarHBondContact NE2-CA 3.16Å; G1024-Q1026 PolarHBondContact O-N 3.25Å
1025I76.5Confident79.8Confident20.8 Ų20.865.8 Ų65.811%0.10735%0.353CS..  trans-74116.4170.9-60.9170.9000108.5C958 L959 H1014 Y1017 E1027 M1028C958-I1025 HydrophobicContact CB-CD1 3.61Å; C958-I1025 VanDerWaalsContact SG-CD1 3.53Å; C958-I1025 WeakPolarHBondContact SG-CD1 3.42Å; L959-I1025 HydrophobicContact CD2-CG2 4.16Å; H1014-I1025 PolarHBondContact CD2-N 3.14Å; H1014-I1025 PolarHBondContact CE1-N 3.11Å; H1014-I1025 VanDerWaalsContact CE1-N 3.34Å; H1014-I1025 PolarHBondContact CE1-O 3.09Å; H1014-I1025 VanDerWaalsContact CE1-O 3.27Å; H1014-I1025 PolarHBondContact NE2-N 3.14Å; Y1017-I1025 HydrophobicContact CD1-CD1 4.12Å; Y1017-I1025 HydrophobicContact CD1-CG1 3.87Å; Y1017-I1025 HydrophobicContact CE1-CD1 4.31Å; Y1017-I1025 HydrophobicContact CE1-CG1 3.86Å; Y1017-I1025 HydrophobicContact CG-CD1 4.39Å; Y1017-I1025 HydrophobicContact CG-CG1 4.46Å; I1025-E1027 VanDerWaalsContact C-N 3.27Å; I1025-E1027 HydrophobicContact CG2-CB 4.2Å; I1025-E1027 HydrophobicContact CG2-CG 4.44Å; I1025-E1027 WeakPolarHBondContact CG2-OE2 3.36Å; I1025-E1027 PolarHBondContact O-N 3.05Å; I1025-M1028 WeakPolarHBondContact O-CB 3.37Å; I1025-M1028 PolarHBondContact O-N 3.2Å
1026Q73.4Confident79.7Confident175.2 Ų175.268.7 Ų68.782%0.81937%0.367SS*.THydrogen-bonded Turntrans-65.7-27.1-172.3-68.4-173.6-4.900113.2G1024 M1028 N1029G1024-Q1026 PolarHBondContact O-N 3.25Å; Q1026-M1028 VanDerWaalsContact C-N 3.33Å; Q1026-M1028 PolarHBondContact O-N 3.18Å; Q1026-M1028 VanDerWaalsContact O-N 3.15Å; Q1026-N1029 PolarHBondContact O-N 2.66Å
1027E73.2Confident79.5Confident80 Ų8072.4 Ų72.437%0.37438%0.384SS..THydrogen-bonded Turntrans-67.5-16.9-175.3-62.3112.2158.600113.3Y962 I1025 N1029 Q1030Y962-E1027 HydrophobicContact CD1-CB 4.49Å; Y962-E1027 HydrophobicContact CD2-CB 4.33Å; Y962-E1027 HydrophobicContact CE1-CB 4.13Å; Y962-E1027 HydrophobicContact CE1-CG 4.31Å; Y962-E1027 HydrophobicContact CE2-CB 3.63Å; Y962-E1027 VanDerWaalsContact CE2-O 3.31Å; Y962-E1027 WeakPolarHBondContact CE2-O 3.3Å; Y962-E1027 VanDerWaalsContact CZ-CB 3.41Å; I1025-E1027 VanDerWaalsContact C-N 3.27Å; I1025-E1027 HydrophobicContact CG2-CB 4.2Å; I1025-E1027 HydrophobicContact CG2-CG 4.44Å; I1025-E1027 WeakPolarHBondContact CG2-OE2 3.36Å; I1025-E1027 PolarHBondContact O-N 3.05Å; E1027-N1029 VanDerWaalsContact C-N 3.27Å; E1027-N1029 PolarHBondContact O-N 3.25Å; E1027-N1029 VanDerWaalsContact O-N 3.15Å; E1027-Q1030 VanDerWaalsContact O-CB 3.28Å; E1027-Q1030 WeakPolarHBondContact O-CB 3.34Å; E1027-Q1030 PolarHBondContact O-N 3.15Å
1028M72.9Confident79.4Confident11.6 Ų11.671.4 Ų71.46%0.05738%0.38CS..Hα-helixtrans-64.1-24.5-175.2-148.343.5177.900114.5Y962 L1010 E1011 H1014 I1025 Q1026 Q1030 T1031 R1032Y962-M1028 HydrophobicContact CD2-SD 4.45Å; L1010-M1028 HydrophobicContact CB-CE 4.13Å; L1010-M1028 HydrophobicContact CD1-CE 3.9Å; L1010-M1028 HydrophobicContact CD1-SD 4.41Å; L1010-M1028 HydrophobicContact CD2-CE 3.64Å; L1010-M1028 VanDerWaalsContact CD2-CE 3.48Å; L1010-M1028 HydrophobicContact CD2-SD 3.74Å; L1010-M1028 VanDerWaalsContact CD2-SD 3.59Å; L1010-M1028 HydrophobicContact CG-CE 3.41Å; L1010-M1028 VanDerWaalsContact CG-CE 3.41Å; L1010-M1028 HydrophobicContact CG-SD 3.82Å; E1011-M1028 HydrophobicContact CB-CE 4.25Å; E1011-M1028 WeakPolarHBondContact OE2-CE 3.27Å; H1014-M1028 HydrophobicContact CB-CE 4.22Å; H1014-M1028 HydrophobicContact CB-CG 4.42Å; I1025-M1028 WeakPolarHBondContact O-CB 3.37Å; I1025-M1028 PolarHBondContact O-N 3.2Å; Q1026-M1028 VanDerWaalsContact C-N 3.33Å; Q1026-M1028 PolarHBondContact O-N 3.18Å; Q1026-M1028 VanDerWaalsContact O-N 3.15Å; M1028-Q1030 VanDerWaalsContact C-N 3.26Å; M1028-Q1030 PolarHBondContact O-N 3.06Å; M1028-T1031 HydrophobicContact CE-CG2 4.47Å; M1028-T1031 PolarHBondContact O-N 3.25Å; M1028-R1032 PolarHBondContact O-N 3.47Å
1029N77.7Confident79.2Confident104.4 Ų104.469.6 Ų69.656%0.55838%0.375SS*.Hα-helixtrans-65-28175.3-75.2-24.8000112.6Q1026 E1027 R1032 Q1033Q1026-N1029 PolarHBondContact O-N 2.66Å; E1027-N1029 VanDerWaalsContact C-N 3.27Å; E1027-N1029 PolarHBondContact O-N 3.25Å; E1027-N1029 VanDerWaalsContact O-N 3.15Å; N1029-R1032 PolarHBondContact O-N 3.1Å; N1029-R1032 PolarHBondContact OD1-NH1 3.17Å; N1029-Q1033 WeakPolarHBondContact O-CG 3.31Å; N1029-Q1033 PolarHBondContact O-N 3.15Å; N1029-Q1033 VanDerWaalsContact O-N 3.12Å
1030Q79.1Confident79Confident102.6 Ų102.667.5 Ų67.548%0.47937%0.37SS..Hα-helixtrans-71.3-40.2179.6-62.1176.9-2.800111.6Y962 E1027 M1028 R1032 Q1033 L1034Y962-Q1030 PolarHBondContact OH-OE1 3.33Å; E1027-Q1030 VanDerWaalsContact O-CB 3.28Å; E1027-Q1030 WeakPolarHBondContact O-CB 3.34Å; E1027-Q1030 PolarHBondContact O-N 3.15Å; M1028-Q1030 VanDerWaalsContact C-N 3.26Å; M1028-Q1030 PolarHBondContact O-N 3.06Å; Q1030-R1032 VanDerWaalsContact C-N 3.29Å; Q1030-R1032 PolarHBondContact O-N 3.27Å; Q1030-Q1033 PolarHBondContact O-N 3.05Å; Q1030-Q1033 VanDerWaalsContact O-N 3.11Å; Q1030-L1034 WeakPolarHBondContact O-CB 3.31Å; Q1030-L1034 WeakPolarHBondContact O-CG 3.24Å; Q1030-L1034 PolarHBondContact O-N 3.25Å; Q1030-L1034 VanDerWaalsContact O-N 3.12Å
1031T77.8Confident78.7Confident5 Ų566.3 Ų66.33%0.03136%0.364CS..Hα-helixtrans-59.6-42.1177.3-52.30000111.4Y962 N966 L969 L1010 M1028 Q1033 L1034 V1035Y962-T1031 VanDerWaalsContact CD2-OG1 3.22Å; Y962-T1031 WeakPolarHBondContact CD2-OG1 3.4Å; Y962-T1031 VanDerWaalsContact CE2-OG1 3.28Å; Y962-T1031 WeakPolarHBondContact CE2-OG1 3.47Å; N966-T1031 VanDerWaalsContact CG-OG1 3.3Å; N966-T1031 PolarHBondContact ND2-OG1 3.41Å; N966-T1031 VanDerWaalsContact OD1-CA 3.24Å; N966-T1031 WeakPolarHBondContact OD1-CA 3.27Å; N966-T1031 VanDerWaalsContact OD1-CB 3.23Å; N966-T1031 WeakPolarHBondContact OD1-CB 3.28Å; N966-T1031 VanDerWaalsContact OD1-CG2 3.3Å; N966-T1031 WeakPolarHBondContact OD1-CG2 3.34Å; N966-T1031 PolarHBondContact OD1-OG1 2.98Å; L969-T1031 HydrophobicContact CD1-CG2 4.04Å; L1010-T1031 HydrophobicContact CD2-CG2 4.25Å; M1028-T1031 HydrophobicContact CE-CG2 4.47Å; M1028-T1031 PolarHBondContact O-N 3.25Å; T1031-Q1033 VanDerWaalsContact C-N 3.32Å; T1031-Q1033 PolarHBondContact O-N 3.27Å; T1031-L1034 PolarHBondContact O-N 3.05Å; T1031-V1035 HydrophobicContact CG2-CG2 4.46Å; T1031-V1035 WeakPolarHBondContact O-CG2 3.37Å; T1031-V1035 PolarHBondContact O-N 3.16Å
1032R81.3Confident78.5Confident124 Ų12465.7 Ų65.747%0.46836%0.357SS..Hα-helixtrans-62.5-37.2177-66.1-174.8-171.3152.30.6112.8E1011 M1028 N1029 Q1030 Q1036E1011-R1032 VanDerWaalsContact CD-NH2 3.3Å; E1011-R1032 IonicContact OE1-CZ 3.16Å; E1011-R1032 IonicContact OE1-NE 3.33Å; E1011-R1032 IonicContact OE1-NH2 3.33Å; E1011-R1032 PolarHBondContact OE1-NH2 3.2Å; E1011-R1032 IonicContact OE2-CZ 3.65Å; E1011-R1032 IonicContact OE2-NE 3.03Å; E1011-R1032 PolarHBondContact OE2-NE 3.17Å; E1011-R1032 VanDerWaalsContact OE2-NE 3.08Å; E1011-R1032 IonicContact OE2-NH2 2.76Å; E1011-R1032 PolarHBondContact OE2-NH2 3.08Å; E1011-R1032 VanDerWaalsContact OE2-NH2 3.14Å; M1028-R1032 PolarHBondContact O-N 3.47Å; N1029-R1032 PolarHBondContact O-N 3.1Å; N1029-R1032 PolarHBondContact OD1-NH1 3.17Å; Q1030-R1032 VanDerWaalsContact C-N 3.29Å; Q1030-R1032 PolarHBondContact O-N 3.27Å; R1032-Q1036 WeakPolarHBondContact O-CG 3.35Å; R1032-Q1036 PolarHBondContact O-N 3.16Å; R1032-Q1036 VanDerWaalsContact O-N 3.13Å
1033Q83.3Confident78.3Confident118 Ų11866.5 Ų66.555%0.55136%0.357SS*.Hα-helixtrans-70.6-41.4176.4-70.4177.8-9.200112N1029 Q1030 T1031 V1035 Q1036 Q1037N1029-Q1033 WeakPolarHBondContact O-CG 3.31Å; N1029-Q1033 PolarHBondContact O-N 3.15Å; N1029-Q1033 VanDerWaalsContact O-N 3.12Å; Q1030-Q1033 PolarHBondContact O-N 3.05Å; Q1030-Q1033 VanDerWaalsContact O-N 3.11Å; T1031-Q1033 VanDerWaalsContact C-N 3.32Å; T1031-Q1033 PolarHBondContact O-N 3.27Å; Q1033-V1035 VanDerWaalsContact C-N 3.34Å; Q1033-V1035 PolarHBondContact O-N 3.23Å; Q1033-Q1036 WeakPolarHBondContact O-CB 3.37Å; Q1033-Q1036 PolarHBondContact O-N 3.25Å; Q1033-Q1036 VanDerWaalsContact O-N 3.13Å; Q1033-Q1037 WeakPolarHBondContact O-CG 3.26Å; Q1033-Q1037 PolarHBondContact O-N 3.19Å
1034L81.3Confident78.2Confident17.6 Ų17.669.6 Ų69.69%0.09237%0.368CS..Hα-helixtrans-64.2-38.3178.6-75.8169.4000112.5N966 L969 L970 Q1030 T1031 Q1036 Q1037 F1038N966-L1034 HydrophobicContact CB-CD1 4.17Å; L969-L1034 HydrophobicContact CB-CB 4.03Å; L969-L1034 HydrophobicContact CB-CD1 4.46Å; L969-L1034 HydrophobicContact CD1-CB 4.05Å; L969-L1034 HydrophobicContact CG-CB 4.48Å; L970-L1034 HydrophobicContact CD1-CD1 4.45Å; L970-L1034 HydrophobicContact CD2-CD1 4.2Å; L970-L1034 HydrophobicContact CD2-CD2 3.61Å; L970-L1034 HydrophobicContact CD2-CG 4.47Å; L970-L1034 HydrophobicContact CG-CD1 3.99Å; L970-L1034 HydrophobicContact CG-CD2 4.14Å; Q1030-L1034 WeakPolarHBondContact O-CB 3.31Å; Q1030-L1034 WeakPolarHBondContact O-CG 3.24Å; Q1030-L1034 PolarHBondContact O-N 3.25Å; Q1030-L1034 VanDerWaalsContact O-N 3.12Å; T1031-L1034 PolarHBondContact O-N 3.05Å; L1034-Q1036 VanDerWaalsContact C-N 3.3Å; L1034-Q1036 PolarHBondContact O-N 3.01Å; L1034-Q1037 PolarHBondContact O-N 3.09Å; L1034-Q1037 VanDerWaalsContact O-N 3.15Å; L1034-F1038 VanDerWaalsContact O-CB 3.3Å; L1034-F1038 WeakPolarHBondContact O-CB 3.39Å; L1034-F1038 PolarHBondContact O-N 3.32Å
1035V81.4Confident78Confident29.6 Ų29.668.6 Ų68.618%0.17935%0.353CS..Hα-helixtrans-60.4-37.4173.4172.40000111.4L969 A1007 T1031 Q1033 N1039L969-V1035 HydrophobicContact CD1-CG2 3.67Å; L969-V1035 HydrophobicContact CD2-CG2 4.02Å; L969-V1035 HydrophobicContact CG-CG2 4.46Å; A1007-V1035 HydrophobicContact CB-CG2 4.25Å; T1031-V1035 HydrophobicContact CG2-CG2 4.46Å; T1031-V1035 WeakPolarHBondContact O-CG2 3.37Å; T1031-V1035 PolarHBondContact O-N 3.16Å; Q1033-V1035 VanDerWaalsContact C-N 3.34Å; Q1033-V1035 PolarHBondContact O-N 3.23Å; V1035-N1039 WeakPolarHBondContact O-CB 3.28Å; V1035-N1039 PolarHBondContact O-N 3.19Å; V1035-N1039 PolarHBondContact O-ND2 3.25Å
1036Q82.3Confident77.4Confident145.4 Ų145.474 Ų7468%0.67938%0.378SS*.Hα-helixtrans-69.1-42175.4-70.7-178.8-11.300112.1R1032 Q1033 L1034 N1039 S1040R1032-Q1036 WeakPolarHBondContact O-CG 3.35Å; R1032-Q1036 PolarHBondContact O-N 3.16Å; R1032-Q1036 VanDerWaalsContact O-N 3.13Å; Q1033-Q1036 WeakPolarHBondContact O-CB 3.37Å; Q1033-Q1036 PolarHBondContact O-N 3.25Å; Q1033-Q1036 VanDerWaalsContact O-N 3.13Å; L1034-Q1036 VanDerWaalsContact C-N 3.3Å; L1034-Q1036 PolarHBondContact O-N 3.01Å; Q1036-N1039 PolarHBondContact O-N 3.12Å; Q1036-S1040 WeakPolarHBondContact O-CB 3.47Å; Q1036-S1040 PolarHBondContact O-N 3.08Å; Q1036-S1040 VanDerWaalsContact O-N 3.14Å; Q1036-S1040 PolarHBondContact O-OG 3.27Å
1037Q82.1Confident77.1Confident95.6 Ų95.674.6 Ų74.645%0.44738%0.378SS..Hα-helixtrans-64.4-42.9177.4-70.6178.30.700112.2V973 Q1033 L1034 N1039 S1040 A1041V973-Q1037 HydrophobicContact CG1-CB 4.4Å; V973-Q1037 HydrophobicContact CG2-CB 4.06Å; Q1033-Q1037 WeakPolarHBondContact O-CG 3.26Å; Q1033-Q1037 PolarHBondContact O-N 3.19Å; L1034-Q1037 PolarHBondContact O-N 3.09Å; L1034-Q1037 VanDerWaalsContact O-N 3.15Å; Q1037-N1039 VanDerWaalsContact C-N 3.3Å; Q1037-N1039 PolarHBondContact O-N 3.12Å; Q1037-S1040 WeakPolarHBondContact CA-OG 3.23Å; Q1037-S1040 PolarHBondContact O-N 3.03Å; Q1037-S1040 VanDerWaalsContact O-N 3.12Å; Q1037-S1040 PolarHBondContact O-OG 3.07Å; Q1037-A1041 WeakPolarHBondContact O-CB 3.48Å; Q1037-A1041 PolarHBondContact O-N 3.27Å
1038F83.2Confident76.8Confident1.8 Ų1.873.8 Ų73.81%0.00838%0.379CS..Hα-helixtrans-56.7-46176.4171-113.3000111.9L969 A972 V973 L976 F996 K1000 I1003 L1034 S1040 A1041 L1042L969-F1038 HydrophobicContact CD2-CB 3.97Å; L969-F1038 HydrophobicContact CD2-CD1 4.28Å; L969-F1038 HydrophobicContact CD2-CG 4.2Å; A972-F1038 HydrophobicContact CB-CD2 3.51Å; A972-F1038 VanDerWaalsContact CB-CD2 3.45Å; A972-F1038 HydrophobicContact CB-CE2 3.56Å; A972-F1038 VanDerWaalsContact CB-CE2 3.48Å; A972-F1038 HydrophobicContact CB-CG 4.49Å; V973-F1038 HydrophobicContact CG2-CB 3.94Å; L976-F1038 HydrophobicContact CD1-CD2 3.88Å; L976-F1038 HydrophobicContact CD1-CE2 3.8Å; F996-F1038 HydrophobicContact CB-CE2 4.1Å; F996-F1038 HydrophobicContact CB-CZ 4.38Å; F996-F1038 HydrophobicContact CD1-CE2 4.4Å; F996-F1038 HydrophobicContact CG-CE2 4.45Å; K1000-F1038 HydrophobicContact CB-CE1 4.45Å; K1000-F1038 HydrophobicContact CG-CE1 4.39Å; I1003-F1038 HydrophobicContact CD1-CE1 4.05Å; I1003-F1038 HydrophobicContact CD1-CE2 4.38Å; I1003-F1038 HydrophobicContact CD1-CZ 3.93Å; I1003-F1038 HydrophobicContact CG2-CD1 4.46Å; I1003-F1038 HydrophobicContact CG2-CE1 4.34Å; L1034-F1038 VanDerWaalsContact O-CB 3.3Å; L1034-F1038 WeakPolarHBondContact O-CB 3.39Å; L1034-F1038 PolarHBondContact O-N 3.32Å; F1038-S1040 VanDerWaalsContact C-N 3.29Å; F1038-S1040 PolarHBondContact O-N 3.1Å; F1038-A1041 PolarHBondContact O-N 3.04Å; F1038-L1042 HydrophobicContact CD1-CD1 4.29Å; F1038-L1042 HydrophobicContact CD2-CD1 4.3Å; F1038-L1042 HydrophobicContact CE1-CD1 3.81Å; F1038-L1042 VanDerWaalsContact CE1-CD1 3.5Å; F1038-L1042 HydrophobicContact CE2-CD1 3.6Å; F1038-L1042 VanDerWaalsContact CE2-CD1 3.44Å; F1038-L1042 HydrophobicContact CE2-CG 4.21Å; F1038-L1042 HydrophobicContact CG-CD1 4.45Å; F1038-L1042 HydrophobicContact CZ-CD1 3.34Å; F1038-L1042 VanDerWaalsContact CZ-CD1 3.44Å; F1038-L1042 HydrophobicContact CZ-CG 4.27Å; F1038-L1042 WeakPolarHBondContact O-CB 3.46Å; F1038-L1042 PolarHBondContact O-N 3.27Å
1039N81.1Confident76.3Confident62 Ų6273.8 Ų73.833%0.33238%0.379SS..Hα-helixtrans-63.6-31.9178.5-78.9-59.4000113K1000 V1035 Q1036 Q1037 A1043K1000-N1039 WeakPolarHBondContact CE-OD1 3.37Å; K1000-N1039 PolarHBondContact NZ-OD1 2.9Å; V1035-N1039 WeakPolarHBondContact O-CB 3.28Å; V1035-N1039 PolarHBondContact O-N 3.19Å; V1035-N1039 PolarHBondContact O-ND2 3.25Å; Q1036-N1039 PolarHBondContact O-N 3.12Å; Q1037-N1039 VanDerWaalsContact C-N 3.3Å; Q1037-N1039 PolarHBondContact O-N 3.12Å; N1039-A1043 PolarHBondContact O-N 3.41Å; N1039-A1043 VanDerWaalsContact O-N 3.17Å
1040S80.2Confident75.6Confident76.8 Ų76.875.1 Ų75.154%0.53739%0.386SS..Hα-helixtrans-77.9-39.2177.868.30000113.3Q1036 Q1037 F1038 L1042 A1043 L1044Q1036-S1040 WeakPolarHBondContact O-CB 3.47Å; Q1036-S1040 PolarHBondContact O-N 3.08Å; Q1036-S1040 VanDerWaalsContact O-N 3.14Å; Q1036-S1040 PolarHBondContact O-OG 3.27Å; Q1037-S1040 WeakPolarHBondContact CA-OG 3.23Å; Q1037-S1040 PolarHBondContact O-N 3.03Å; Q1037-S1040 VanDerWaalsContact O-N 3.12Å; Q1037-S1040 PolarHBondContact O-OG 3.07Å; F1038-S1040 VanDerWaalsContact C-N 3.29Å; F1038-S1040 PolarHBondContact O-N 3.1Å; S1040-L1042 VanDerWaalsContact C-N 3.34Å; S1040-L1042 PolarHBondContact O-N 3Å; S1040-A1043 PolarHBondContact O-N 3.11Å; S1040-L1044 PolarHBondContact O-N 3.22Å
1041A76.9Confident75Confident11.4 Ų11.474.1 Ų74.19%0.09440%0.395CS..Hα-helixtrans-64.7-38.8-179.900000112.1L976 Q1037 F1038 A1043 L1044 H1045L976-A1041 HydrophobicContact CB-CB 3.87Å; L976-A1041 HydrophobicContact CD1-CB 4.19Å; Q1037-A1041 WeakPolarHBondContact O-CB 3.48Å; Q1037-A1041 PolarHBondContact O-N 3.27Å; F1038-A1041 PolarHBondContact O-N 3.04Å; A1041-A1043 VanDerWaalsContact C-N 3.31Å; A1041-A1043 PolarHBondContact O-N 3.21Å; A1041-A1043 VanDerWaalsContact O-N 3.12Å; A1041-L1044 PolarHBondContact O-N 3.15Å; A1041-H1045 WeakPolarHBondContact O-CB 3.2Å; A1041-H1045 PolarHBondContact O-N 3.09Å
1042L76.4Confident74.4Confident27 Ų2776.2 Ų76.214%0.14140%0.404CS..Hα-helixtrans-57.6-31.1176.4-113.6151.9000113L976 Y993 A997 K1000 F1038 S1040 L1044L976-L1042 HydrophobicContact CD1-CB 4.2Å; L976-L1042 HydrophobicContact CD1-CD1 4.06Å; L976-L1042 HydrophobicContact CD1-CG 3.92Å; L976-L1042 HydrophobicContact CD2-CG 4.39Å; Y993-L1042 HydrophobicContact CD2-CD2 4.18Å; Y993-L1042 HydrophobicContact CE2-CD2 3.73Å; Y993-L1042 HydrophobicContact CE2-CG 4.22Å; Y993-L1042 WeakPolarHBondContact CE2-O 3.5Å; A997-L1042 HydrophobicContact CB-CD2 4.26Å; K1000-L1042 HydrophobicContact CD-CD1 4.28Å; F1038-L1042 HydrophobicContact CD1-CD1 4.29Å; F1038-L1042 HydrophobicContact CD2-CD1 4.3Å; F1038-L1042 HydrophobicContact CE1-CD1 3.81Å; F1038-L1042 VanDerWaalsContact CE1-CD1 3.5Å; F1038-L1042 HydrophobicContact CE2-CD1 3.6Å; F1038-L1042 VanDerWaalsContact CE2-CD1 3.44Å; F1038-L1042 HydrophobicContact CE2-CG 4.21Å; F1038-L1042 HydrophobicContact CG-CD1 4.45Å; F1038-L1042 HydrophobicContact CZ-CD1 3.34Å; F1038-L1042 VanDerWaalsContact CZ-CD1 3.44Å; F1038-L1042 HydrophobicContact CZ-CG 4.27Å; F1038-L1042 WeakPolarHBondContact O-CB 3.46Å; F1038-L1042 PolarHBondContact O-N 3.27Å; S1040-L1042 VanDerWaalsContact C-N 3.34Å; S1040-L1042 PolarHBondContact O-N 3Å; L1042-L1044 PolarHBondContact O-N 3.03Å
1043A74Confident73.6Confident86.8 Ų86.873.7 Ų73.772%0.71740%0.4SS*.Hα-helixtrans-80.6-23.3-177.600000114.3N1039 S1040 A1041N1039-A1043 PolarHBondContact O-N 3.41Å; N1039-A1043 VanDerWaalsContact O-N 3.17Å; S1040-A1043 PolarHBondContact O-N 3.11Å; A1041-A1043 VanDerWaalsContact C-N 3.31Å; A1041-A1043 PolarHBondContact O-N 3.21Å; A1041-A1043 VanDerWaalsContact O-N 3.12Å
1044L73.1Confident72.8Confident129.8 Ų129.875.2 Ų75.268%0.6841%0.407SS*.Hα-helixtrans-93.6-26.7-172.1-163.668.9000114S1040 A1041 L1042 Q1046 K1047 T1048S1040-L1044 PolarHBondContact O-N 3.22Å; A1041-L1044 PolarHBondContact O-N 3.15Å; L1042-L1044 PolarHBondContact O-N 3.03Å; L1044-Q1046 VanDerWaalsContact C-N 3.34Å; L1044-Q1046 PolarHBondContact O-N 3.11Å; L1044-Q1046 VanDerWaalsContact O-N 3.16Å; L1044-K1047 PolarHBondContact O-N 2.95Å; L1044-T1048 PolarHBondContact O-N 2.88Å; L1044-T1048 PolarHBondContact O-OG1 3.14Å
1045H71.2Confident72.2Confident14.6 Ų14.680.1 Ų80.17%0.06843%0.433CS..G310 helixtrans-59.2-38.2-166.6-168.571.4000115.1L976 V989 Y993 A1041 K1047 T1048 M1049L976-H1045 HydrophobicContact CD2-CB 4.49Å; L976-H1045 PolarHBondContact O-ND1 3.12Å; V989-H1045 WeakPolarHBondContact CG1-CE1 3.42Å; V989-H1045 WeakPolarHBondContact CG1-NE2 3.36Å; V989-H1045 PolarHBondContact O-NE2 3.39Å; Y993-H1045 HydrophobicContact CD2-CB 4.13Å; Y993-H1045 AromaticContact CD2-CD2 3.65Å; Y993-H1045 WeakPolarHBondContact CD2-CD2 3.26Å; Y993-H1045 AromaticContact CD2-CG 3.69Å; Y993-H1045 HydrophobicContact CE2-CB 4.15Å; Y993-H1045 AromaticContact CE2-CD2 3.93Å; Y993-H1045 AromaticContact CG-CD2 3.74Å; A1041-H1045 WeakPolarHBondContact O-CB 3.2Å; A1041-H1045 PolarHBondContact O-N 3.09Å; H1045-K1047 VanDerWaalsContact C-N 3.28Å; H1045-K1047 PolarHBondContact O-N 3.07Å; H1045-K1047 VanDerWaalsContact O-N 3.13Å; H1045-T1048 WeakPolarHBondContact O-CB 3.22Å; H1045-T1048 PolarHBondContact O-N 3.3Å; H1045-T1048 PolarHBondContact O-OG1 3.28Å; H1045-M1049 PolarHBondContact O-N 3.22Å; H1045-M1049 VanDerWaalsContact O-N 3.09Å
1046Q64.4Low71.5Confident134.6 Ų134.680 Ų8063%0.62943%0.431SS*.G310 helixtrans-65.8-23.3-169.4-162.3160.9-0.600114.6L1044 T1048 M1049L1044-Q1046 VanDerWaalsContact C-N 3.34Å; L1044-Q1046 PolarHBondContact O-N 3.11Å; L1044-Q1046 VanDerWaalsContact O-N 3.16Å; Q1046-T1048 VanDerWaalsContact C-N 3.31Å; Q1046-T1048 PolarHBondContact O-N 3.11Å; Q1046-M1049 PolarHBondContact O-N 3.3Å
1047K66.3Low70.7Confident187.4 Ų187.478 Ų7882%0.81542%0.42SS*.G310 helixtrans-82.1-19.5-179.6-74.5-175.8177.2179.40114.4L1044 H1045L1044-K1047 PolarHBondContact O-N 2.95Å; H1045-K1047 VanDerWaalsContact C-N 3.28Å; H1045-K1047 PolarHBondContact O-N 3.07Å; H1045-K1047 VanDerWaalsContact O-N 3.13Å
1048T66.2Low70Confident63.2 Ų63.281.8 Ų81.839%0.38844%0.435SS..THydrogen-bonded Turntrans-89-22.2-170.5-26.60000112.8R979 L1044 H1045 Q1046 Q1052R979-T1048 HydrophobicContact CG-CG2 4.05Å; L1044-T1048 PolarHBondContact O-N 2.88Å; L1044-T1048 PolarHBondContact O-OG1 3.14Å; H1045-T1048 WeakPolarHBondContact O-CB 3.22Å; H1045-T1048 PolarHBondContact O-N 3.3Å; H1045-T1048 PolarHBondContact O-OG1 3.28Å; Q1046-T1048 VanDerWaalsContact C-N 3.31Å; Q1046-T1048 PolarHBondContact O-N 3.11Å; T1048-Q1052 WeakPolarHBondContact O-CG 3.47Å; T1048-Q1052 PolarHBondContact O-N 3.02Å
1049M63.6Low69.5Low12.6 Ų12.686.4 Ų86.46%0.06246%0.46CS..SBendtrans-73.3-40.1-172.3-102-136.3112.600114.2P980 V986 V989 Q990 H1045 Q1046 A1051 Q1052 I1053P980-M1049 HydrophobicContact CG-CE 3.8Å; P980-M1049 HydrophobicContact CG-SD 3.63Å; P980-M1049 VanDerWaalsContact CG-SD 3.5Å; V986-M1049 VanDerWaalsContact CA-CE 3.47Å; V986-M1049 HydrophobicContact CB-CE 3.93Å; V986-M1049 HydrophobicContact CG1-CE 3.59Å; V986-M1049 VanDerWaalsContact CG1-CE 3.49Å; V986-M1049 HydrophobicContact CG1-CG 4.39Å; V986-M1049 HydrophobicContact CG2-CE 4.2Å; V986-M1049 WeakPolarHBondContact O-CE 3.43Å; V989-M1049 HydrophobicContact CB-CE 4.07Å; V989-M1049 HydrophobicContact CB-SD 4.48Å; V989-M1049 HydrophobicContact CG1-CE 3.93Å; V989-M1049 HydrophobicContact CG1-SD 4.12Å; Q990-M1049 HydrophobicContact CB-CE 4.21Å; Q990-M1049 HydrophobicContact CB-SD 3.96Å; Q990-M1049 HydrophobicContact CG-SD 4.37Å; H1045-M1049 PolarHBondContact O-N 3.22Å; H1045-M1049 VanDerWaalsContact O-N 3.09Å; Q1046-M1049 PolarHBondContact O-N 3.3Å; M1049-A1051 PolarHBondContact O-N 3.21Å; M1049-A1051 VanDerWaalsContact O-N 3.14Å; M1049-Q1052 PolarHBondContact O-N 3.15Å; M1049-I1053 HydrophobicContact CG-CD1 4.42Å; M1049-I1053 PolarHBondContact O-N 3.22Å; M1049-I1053 VanDerWaalsContact O-N 3.1Å
1050D63.4Low69.2Low131 Ų13183.8 Ų83.870%0.70145%0.445SS*.THydrogen-bonded Turntrans-64.1-25.8-172.2-65.8-26.6000113.2
1051A65.6Low68.7Low82.6 Ų82.684.1 Ų84.168%0.68345%0.448SS*.THydrogen-bonded Turntrans-78.9-21-176.600000114.7M1049M1049-A1051 PolarHBondContact O-N 3.21Å; M1049-A1051 VanDerWaalsContact O-N 3.14Å
1052Q65.8Low68.7Low47.8 Ų47.887.1 Ų87.122%0.22347%0.467CS..THydrogen-bonded Turntrans-91.7-27.5-171-73.4-132.8-14.700114.8P980 V986 T1048 M1049 E1054 L1055 L1056P980-Q1052 VanDerWaalsContact C-OE1 3.25Å; P980-Q1052 VanDerWaalsContact CB-OE1 3.23Å; P980-Q1052 WeakPolarHBondContact O-CG 3.28Å; P980-Q1052 PolarHBondContact O-NE2 3.04Å; P980-Q1052 VanDerWaalsContact O-NE2 3.1Å; P980-Q1052 PolarHBondContact O-OE1 3.34Å; P980-Q1052 VanDerWaalsContact O-OE1 3.11Å; V986-Q1052 HydrophobicContact CG2-CB 3.89Å; T1048-Q1052 WeakPolarHBondContact O-CG 3.47Å; T1048-Q1052 PolarHBondContact O-N 3.02Å; M1049-Q1052 PolarHBondContact O-N 3.15Å; Q1052-E1054 VanDerWaalsContact C-N 3.29Å; Q1052-E1054 PolarHBondContact O-N 3.14Å; Q1052-L1055 WeakPolarHBondContact O-CB 3.29Å; Q1052-L1055 PolarHBondContact O-N 3.27Å; Q1052-L1055 VanDerWaalsContact O-N 3.07Å; Q1052-L1056 WeakPolarHBondContact O-CG 3.47Å; Q1052-L1056 PolarHBondContact O-N 2.94Å
1053I64.6Low68.8Low72 Ų7290.9 Ų90.937%0.36948%0.48SS..Hα-helixtrans-63.4-30.8-174-67.3173.1000112.8V986 M1049 L1056 K1057V986-I1053 HydrophobicContact CB-CG1 4.43Å; V986-I1053 HydrophobicContact CG1-CD1 3.81Å; V986-I1053 HydrophobicContact CG1-CG1 3.77Å; V986-I1053 VanDerWaalsContact CG1-CG1 3.46Å; V986-I1053 HydrophobicContact CG2-CG1 4.15Å; M1049-I1053 HydrophobicContact CG-CD1 4.42Å; M1049-I1053 PolarHBondContact O-N 3.22Å; M1049-I1053 VanDerWaalsContact O-N 3.1Å; I1053-L1056 PolarHBondContact O-N 3.32Å; I1053-K1057 WeakPolarHBondContact O-CG 3.49Å; I1053-K1057 PolarHBondContact O-N 3.34Å
1054E65.2Low69Low149.6 Ų149.688.5 Ų88.570%0.69946%0.455SS*.Hα-helixtrans-70.8-32.7-178.5-86.6-76.6131.400114Q1052 L1056 K1057 K1058Q1052-E1054 VanDerWaalsContact C-N 3.29Å; Q1052-E1054 PolarHBondContact O-N 3.14Å; E1054-L1056 VanDerWaalsContact C-N 3.33Å; E1054-L1056 PolarHBondContact O-N 3.07Å; E1054-K1057 IonicContact OE1-NZ 2.81Å; E1054-K1057 PolarHBondContact OE1-NZ 3.39Å; E1054-K1058 PolarHBondContact O-N 3.39Å
1055L68.9Low69.2Low121.2 Ų121.288.9 Ų88.964%0.63545%0.453SS*.Hα-helixtrans-71.1-32.4-176-169.871000112.6Q1052 K1058 N1059Q1052-L1055 WeakPolarHBondContact O-CB 3.29Å; Q1052-L1055 PolarHBondContact O-N 3.27Å; Q1052-L1055 VanDerWaalsContact O-N 3.07Å; L1055-K1058 PolarHBondContact O-N 3.49Å; L1055-N1059 PolarHBondContact O-N 3.13Å; L1055-N1059 VanDerWaalsContact O-N 3.12Å
1056L66.2Low69.7Low26.2 Ų26.292.6 Ų92.614%0.13748%0.477CS..Hα-helixtrans-76.7-31.1-168.2-70.7160000114Q981 S982 A983 V986 Q1052 I1053 E1054 K1058 N1059 F1060 L1127Q981-L1056 WeakPolarHBondContact O-CD2 3.4Å; S982-L1056 VanDerWaalsContact C-CD1 3.5Å; S982-L1056 WeakPolarHBondContact O-CD1 3.5Å; A983-L1056 HydrophobicContact CB-CB 3.88Å; A983-L1056 HydrophobicContact CB-CD1 3.96Å; A983-L1056 HydrophobicContact CB-CD2 3.77Å; A983-L1056 HydrophobicContact CB-CG 3.85Å; A983-L1056 VanDerWaalsContact N-CD1 3.3Å; V986-L1056 HydrophobicContact CG2-CD1 3.99Å; Q1052-L1056 WeakPolarHBondContact O-CG 3.47Å; Q1052-L1056 PolarHBondContact O-N 2.94Å; I1053-L1056 PolarHBondContact O-N 3.32Å; E1054-L1056 VanDerWaalsContact C-N 3.33Å; E1054-L1056 PolarHBondContact O-N 3.07Å; L1056-K1058 VanDerWaalsContact C-N 3.28Å; L1056-K1058 PolarHBondContact O-N 3.28Å; L1056-K1058 VanDerWaalsContact O-N 3.1Å; L1056-N1059 PolarHBondContact O-N 3.08Å; L1056-F1060 WeakPolarHBondContact O-CB 3.42Å; L1056-F1060 PolarHBondContact O-N 3.13Å; L1056-L1127 VanDerWaalsContact C-CD2 3.46Å; L1056-L1127 HydrophobicContact CB-CD2 3.99Å
1057K66.3Low70.6Confident104.8 Ų104.886.3 Ų86.346%0.45645%0.448SS..Hα-helixtrans-61.2-28.6179.7-71.4178.6179174.20113.6I1053 E1054 F1060 S1061 L1127I1053-K1057 WeakPolarHBondContact O-CG 3.49Å; I1053-K1057 PolarHBondContact O-N 3.34Å; E1054-K1057 IonicContact OE1-NZ 2.81Å; E1054-K1057 PolarHBondContact OE1-NZ 3.39Å; K1057-F1060 PolarHBondContact O-N 3.45Å; K1057-S1061 PolarHBondContact O-N 2.66Å; K1057-S1061 PolarHBondContact O-OG 3.02Å; K1057-L1127 HydrophobicContact CB-CD2 4.41Å; K1057-L1127 WeakPolarHBondContact CE-O 3.42Å; K1057-L1127 HydrophobicContact CG-CD2 4.05Å
1058K67.8Low71.3Confident174.2 Ų174.282.1 Ų82.176%0.75743%0.429SS*.Hα-helixtrans-78.3-31.5-175.3-166.5177.3178.9-178.90113.6E1054 L1055 L1056 S1061E1054-K1058 PolarHBondContact O-N 3.39Å; L1055-K1058 PolarHBondContact O-N 3.49Å; L1056-K1058 VanDerWaalsContact C-N 3.28Å; L1056-K1058 PolarHBondContact O-N 3.28Å; L1056-K1058 VanDerWaalsContact O-N 3.1Å; K1058-S1061 PolarHBondContact O-OG 3.36Å
1059N72.9Confident72Confident99.2 Ų99.284.6 Ų84.653%0.5344%0.437SS..Hα-helixtrans-78.4-32.2-176-71.4-18.3000113L1055 L1056 S1061 S1062 R1063L1055-N1059 PolarHBondContact O-N 3.13Å; L1055-N1059 VanDerWaalsContact O-N 3.12Å; L1056-N1059 PolarHBondContact O-N 3.08Å; N1059-S1061 PolarHBondContact O-N 3.2Å; N1059-S1062 PolarHBondContact O-N 2.97Å; N1059-S1062 VanDerWaalsContact O-N 3.15Å; N1059-S1062 PolarHBondContact O-OG 3.05Å; N1059-S1062 VanDerWaalsContact O-OG 3.08Å; N1059-R1063 PolarHBondContact O-N 3.25Å
1060F74.3Confident72.9Confident7.6 Ų7.685.5 Ų85.53%0.03345%0.446CS..Hα-helixtrans-63.3-41.1-172.9178.6-110.2000114.4L1056 K1057 S1062 R1063 I1064 L1120 E1123 A1124 L1127 L1129L1056-F1060 WeakPolarHBondContact O-CB 3.42Å; L1056-F1060 PolarHBondContact O-N 3.13Å; K1057-F1060 PolarHBondContact O-N 3.45Å; F1060-S1062 VanDerWaalsContact C-N 3.26Å; F1060-S1062 PolarHBondContact O-N 3.09Å; F1060-S1062 VanDerWaalsContact O-N 3.12Å; F1060-R1063 PolarHBondContact O-N 3.17Å; F1060-R1063 VanDerWaalsContact O-N 3.13Å; F1060-I1064 HydrophobicContact CD1-CD1 4.25Å; F1060-I1064 HydrophobicContact CE1-CD1 3.6Å; F1060-I1064 VanDerWaalsContact CE1-CD1 3.43Å; F1060-I1064 HydrophobicContact CE1-CG1 4.33Å; F1060-I1064 HydrophobicContact CE2-CD1 4.32Å; F1060-I1064 HydrophobicContact CE2-CG1 4.38Å; F1060-I1064 HydrophobicContact CZ-CD1 3.62Å; F1060-I1064 VanDerWaalsContact CZ-CD1 3.45Å; F1060-I1064 HydrophobicContact CZ-CG1 4.2Å; F1060-I1064 PolarHBondContact O-N 3.25Å; F1060-L1120 HydrophobicContact CD2-CD2 4.35Å; F1060-L1120 HydrophobicContact CE2-CD2 4.06Å; F1060-L1120 WeakPolarHBondContact CE2-O 3.31Å; F1060-L1120 VanDerWaalsContact CZ-O 3.28Å; F1060-L1120 WeakPolarHBondContact CZ-O 3.41Å; F1060-E1123 HydrophobicContact CD2-CB 3.75Å; F1060-E1123 VanDerWaalsContact CD2-CB 3.42Å; F1060-E1123 HydrophobicContact CD2-CG 4.01Å; F1060-E1123 WeakPolarHBondContact CD2-OE2 3.27Å; F1060-E1123 HydrophobicContact CE2-CB 3.5Å; F1060-E1123 HydrophobicContact CE2-CG 3.89Å; F1060-E1123 HydrophobicContact CZ-CB 4.44Å; F1060-A1124 HydrophobicContact CE1-CB 3.81Å; F1060-A1124 HydrophobicContact CE2-CB 4.14Å; F1060-A1124 VanDerWaalsContact CE2-N 3.33Å; F1060-A1124 VanDerWaalsContact CZ-CA 3.46Å; F1060-A1124 HydrophobicContact CZ-CB 3.44Å; F1060-A1124 VanDerWaalsContact CZ-N 3.28Å; F1060-L1127 HydrophobicContact CB-CD1 3.52Å; F1060-L1127 HydrophobicContact CD1-CD1 4.03Å; F1060-L1127 HydrophobicContact CD2-CD1 4.13Å; F1060-L1127 HydrophobicContact CG-CD1 3.62Å; F1060-L1129 HydrophobicContact CD1-CD1 3.43Å; F1060-L1129 VanDerWaalsContact CD1-CD1 3.46Å; F1060-L1129 HydrophobicContact CE1-CB 4.43Å; F1060-L1129 HydrophobicContact CE1-CD1 3.82Å; F1060-L1129 HydrophobicContact CG-CD1 4.35Å
1061S70.5Confident73.8Confident83.4 Ų83.479.7 Ų79.758%0.58342%0.415SS*.Hα-helixtrans-62.7-26.5-176.93.90000114.4K1057 K1058 N1059 Q1065K1057-S1061 PolarHBondContact O-N 2.66Å; K1057-S1061 PolarHBondContact O-OG 3.02Å; K1058-S1061 PolarHBondContact O-OG 3.36Å; N1059-S1061 PolarHBondContact O-N 3.2Å; S1061-Q1065 PolarHBondContact O-N 3.35Å
1062S75.8Confident74.6Confident73 Ų7381.3 Ų81.351%0.5141%0.409SS..Hα-helixtrans-77.4-30.6-179.368.40000113.8N1059 F1060 Q1065 T1066N1059-S1062 PolarHBondContact O-N 2.97Å; N1059-S1062 VanDerWaalsContact O-N 3.15Å; N1059-S1062 PolarHBondContact O-OG 3.05Å; N1059-S1062 VanDerWaalsContact O-OG 3.08Å; F1060-S1062 VanDerWaalsContact C-N 3.26Å; F1060-S1062 PolarHBondContact O-N 3.09Å; F1060-S1062 VanDerWaalsContact O-N 3.12Å; S1062-Q1065 PolarHBondContact O-N 3.31Å; S1062-T1066 PolarHBondContact O-N 3.41Å; S1062-T1066 VanDerWaalsContact O-N 3.15Å; S1062-T1066 PolarHBondContact O-OG1 3.38Å
1063R78.7Confident75.4Confident107.4 Ų107.486.2 Ų86.241%0.40543%0.429SS..Hα-helixtrans-74.1-36.3-176.4-71.9173.163-170.6-1.3112.9N1059 F1060 Q1065 T1066 H1067 L1120 E1123N1059-R1063 PolarHBondContact O-N 3.25Å; F1060-R1063 PolarHBondContact O-N 3.17Å; F1060-R1063 VanDerWaalsContact O-N 3.13Å; R1063-Q1065 VanDerWaalsContact C-N 3.28Å; R1063-Q1065 PolarHBondContact O-N 3.18Å; R1063-Q1065 VanDerWaalsContact O-N 3.14Å; R1063-T1066 PolarHBondContact O-N 3.1Å; R1063-T1066 VanDerWaalsContact O-N 3.15Å; R1063-H1067 PolarHBondContact O-N 3.35Å; R1063-L1120 HydrophobicContact CB-CD2 3.71Å; R1063-L1120 VanDerWaalsContact CB-CD2 3.45Å; R1063-E1123 IonicContact CZ-OE1 3.53Å; R1063-E1123 VanDerWaalsContact CZ-OE1 3.24Å; R1063-E1123 IonicContact CZ-OE2 3.18Å; R1063-E1123 IonicContact NE-OE2 3.61Å; R1063-E1123 VanDerWaalsContact NH1-CD 3.28Å; R1063-E1123 IonicContact NH1-OE1 3.33Å; R1063-E1123 PolarHBondContact NH1-OE1 3.09Å; R1063-E1123 IonicContact NH1-OE2 3.11Å; R1063-E1123 PolarHBondContact NH1-OE2 3.12Å; R1063-E1123 IonicContact NH2-OE1 3.75Å; R1063-E1123 PolarHBondContact NH2-OE1 2.79Å; R1063-E1123 IonicContact NH2-OE2 3.41Å
1064I77.7Confident76.4Confident35.8 Ų35.883.2 Ų83.218%0.18441%0.413CS..Hα-helixtrans-56.6-38.8179.7-67.7172.7000112F1060 T1066 H1067 K1068 L1120 P1132F1060-I1064 HydrophobicContact CD1-CD1 4.25Å; F1060-I1064 HydrophobicContact CE1-CD1 3.6Å; F1060-I1064 VanDerWaalsContact CE1-CD1 3.43Å; F1060-I1064 HydrophobicContact CE1-CG1 4.33Å; F1060-I1064 HydrophobicContact CE2-CD1 4.32Å; F1060-I1064 HydrophobicContact CE2-CG1 4.38Å; F1060-I1064 HydrophobicContact CZ-CD1 3.62Å; F1060-I1064 VanDerWaalsContact CZ-CD1 3.45Å; F1060-I1064 HydrophobicContact CZ-CG1 4.2Å; F1060-I1064 PolarHBondContact O-N 3.25Å; I1064-T1066 VanDerWaalsContact C-N 3.34Å; I1064-T1066 PolarHBondContact O-N 2.83Å; I1064-H1067 PolarHBondContact O-N 3.06Å; I1064-K1068 HydrophobicContact CG2-CD 4.43Å; I1064-K1068 WeakPolarHBondContact O-CG 3.48Å; I1064-K1068 PolarHBondContact O-N 3.46Å; I1064-K1068 VanDerWaalsContact O-N 3.07Å; I1064-L1120 HydrophobicContact CG1-CD1 4.38Å; I1064-L1120 HydrophobicContact CG1-CD2 4.28Å; I1064-P1132 HydrophobicContact CD1-CB 4.1Å; I1064-P1132 HydrophobicContact CD1-CG 4.14Å; I1064-P1132 HydrophobicContact CG1-CB 4.22Å; I1064-P1132 HydrophobicContact CG1-CG 4.27Å; I1064-P1132 HydrophobicContact CG2-CB 4.06Å
1065Q78Confident77.1Confident138 Ų13877 Ų7765%0.64539%0.388SS*.Hα-helixtrans-70.6-34.7-176.2-169.6151.94.900112.8S1061 S1062 R1063 Q1069S1061-Q1065 PolarHBondContact O-N 3.35Å; S1062-Q1065 PolarHBondContact O-N 3.31Å; R1063-Q1065 VanDerWaalsContact C-N 3.28Å; R1063-Q1065 PolarHBondContact O-N 3.18Å; R1063-Q1065 VanDerWaalsContact O-N 3.14Å; Q1065-Q1069 WeakPolarHBondContact O-CG 3.23Å; Q1065-Q1069 PolarHBondContact O-N 3.5Å
1066T82Confident77.7Confident93.4 Ų93.475.6 Ų75.657%0.57338%0.384SS*.Hα-helixtrans-70-43.1-178.7-53.40000111.8S1062 R1063 I1064 K1068 Q1069 A1070S1062-T1066 PolarHBondContact O-N 3.41Å; S1062-T1066 VanDerWaalsContact O-N 3.15Å; S1062-T1066 PolarHBondContact O-OG1 3.38Å; R1063-T1066 PolarHBondContact O-N 3.1Å; R1063-T1066 VanDerWaalsContact O-N 3.15Å; I1064-T1066 VanDerWaalsContact C-N 3.34Å; I1064-T1066 PolarHBondContact O-N 2.83Å; T1066-K1068 PolarHBondContact O-N 3.04Å; T1066-Q1069 PolarHBondContact O-N 3.15Å; T1066-A1070 PolarHBondContact O-N 3.4Å
1067H83Confident78.4Confident2.8 Ų2.879.8 Ų79.81%0.01340%0.401CS..Hα-helixtrans-64.5-41.1-176.6-176.673000112.9R1063 I1064 Q1069 A1070 V1071 F1113 E1116 A1117 L1120 F1134R1063-H1067 PolarHBondContact O-N 3.35Å; I1064-H1067 PolarHBondContact O-N 3.06Å; H1067-Q1069 VanDerWaalsContact C-N 3.3Å; H1067-Q1069 PolarHBondContact O-N 2.98Å; H1067-Q1069 VanDerWaalsContact O-N 3.11Å; H1067-A1070 WeakPolarHBondContact O-CB 3.42Å; H1067-A1070 PolarHBondContact O-N 3.28Å; H1067-V1071 WeakPolarHBondContact NE2-CG2 3.47Å; H1067-V1071 WeakPolarHBondContact O-CG2 3.45Å; H1067-V1071 PolarHBondContact O-N 3.05Å; H1067-F1113 AromaticContact CE1-CD1 3.83Å; H1067-F1113 PolarHBondContact CE1-O 3.17Å; H1067-F1113 VanDerWaalsContact CE1-O 3.22Å; H1067-F1113 PolarHBondContact NE2-O 2.99Å; H1067-E1116 HydrophobicContact CB-CG 4.39Å; H1067-E1116 VanDerWaalsContact CE1-CB 3.42Å; H1067-E1116 WeakPolarHBondContact CE1-CB 3.46Å; H1067-E1116 IonicContact CE1-OE2 3.42Å; H1067-E1116 PolarHBondContact CE1-OE2 2.72Å; H1067-E1116 IonicContact CG-OE2 3.24Å; H1067-E1116 WeakPolarHBondContact ND1-CB 3.32Å; H1067-E1116 VanDerWaalsContact ND1-CD 3.26Å; H1067-E1116 WeakPolarHBondContact ND1-CG 3.27Å; H1067-E1116 IonicContact ND1-OE2 3.46Å; H1067-E1116 PolarHBondContact ND1-OE2 3.18Å; H1067-A1117 PolarHBondContact CE1-N 2.99Å; H1067-A1117 VanDerWaalsContact NE2-CB 3.32Å; H1067-A1117 WeakPolarHBondContact NE2-CB 3.32Å; H1067-L1120 HydrophobicContact CB-CD1 3.6Å; H1067-L1120 VanDerWaalsContact CB-CD1 3.41Å; H1067-F1134 AromaticContact CD2-CD1 3.86Å; H1067-F1134 AromaticContact CD2-CE1 3.53Å; H1067-F1134 VanDerWaalsContact CD2-CE1 3.49Å; H1067-F1134 WeakPolarHBondContact CD2-CE1 3.29Å; H1067-F1134 AromaticContact CD2-CZ 3.88Å
1068K79.9Confident79.3Confident97.6 Ų97.675.1 Ų75.142%0.42438%0.381SS..Hα-helixtrans-56.1-37.3177.6-74.1-170.2173-167.80113.2I1064 T1066 A1070 V1071 E1072 D1133 F1134I1064-K1068 HydrophobicContact CG2-CD 4.43Å; I1064-K1068 WeakPolarHBondContact O-CG 3.48Å; I1064-K1068 PolarHBondContact O-N 3.46Å; I1064-K1068 VanDerWaalsContact O-N 3.07Å; T1066-K1068 PolarHBondContact O-N 3.04Å; K1068-A1070 VanDerWaalsContact C-N 3.33Å; K1068-A1070 PolarHBondContact O-N 3.5Å; K1068-V1071 PolarHBondContact O-N 3.35Å; K1068-E1072 PolarHBondContact O-N 3.19Å; K1068-D1133 VanDerWaalsContact CE-O 3.24Å; K1068-D1133 WeakPolarHBondContact CE-O 3.41Å; K1068-D1133 PolarHBondContact NZ-O 2.93Å; K1068-D1133 VanDerWaalsContact NZ-O 3.09Å; K1068-F1134 HydrophobicContact CG-CD1 4.1Å; K1068-F1134 HydrophobicContact CG-CE1 3.83Å
1069Q82.1Confident79.8Confident116.4 Ų116.472.5 Ų72.554%0.54437%0.367SS..Hα-helixtrans-73-26.5-180-67-179-4.300113.5Q1065 T1066 H1067 K1073Q1065-Q1069 WeakPolarHBondContact O-CG 3.23Å; Q1065-Q1069 PolarHBondContact O-N 3.5Å; T1066-Q1069 PolarHBondContact O-N 3.15Å; H1067-Q1069 VanDerWaalsContact C-N 3.3Å; H1067-Q1069 PolarHBondContact O-N 2.98Å; H1067-Q1069 VanDerWaalsContact O-N 3.11Å; Q1069-K1073 WeakPolarHBondContact O-CG 3.39Å; Q1069-K1073 PolarHBondContact O-N 3.09Å
1070A82.5Confident80Confident31 Ų3174.6 Ų74.626%0.25637%0.373SS..Hα-helixtrans-78-40.4-177.800000111.9T1066 H1067 K1068 E1072 K1073 F1074 F1113T1066-A1070 PolarHBondContact O-N 3.4Å; H1067-A1070 WeakPolarHBondContact O-CB 3.42Å; H1067-A1070 PolarHBondContact O-N 3.28Å; K1068-A1070 VanDerWaalsContact C-N 3.33Å; K1068-A1070 PolarHBondContact O-N 3.5Å; A1070-E1072 VanDerWaalsContact C-N 3.32Å; A1070-E1072 PolarHBondContact O-N 3.12Å; A1070-K1073 PolarHBondContact O-N 3.18Å; A1070-F1074 PolarHBondContact O-N 3.4Å; A1070-F1113 HydrophobicContact CB-CD1 4.34Å; A1070-F1113 HydrophobicContact CB-CE1 3.58Å; A1070-F1113 VanDerWaalsContact CB-CE1 3.45Å; A1070-F1113 HydrophobicContact CB-CZ 4.25Å
1071V82.5Confident80Confident9 Ų979.7 Ų79.76%0.05540%0.396CS..Hα-helixtrans-58.7-42.2177.8172.40000112.2H1067 K1068 K1073 F1074 A1075 F1113 N1136 L1137H1067-V1071 WeakPolarHBondContact NE2-CG2 3.47Å; H1067-V1071 WeakPolarHBondContact O-CG2 3.45Å; H1067-V1071 PolarHBondContact O-N 3.05Å; K1068-V1071 PolarHBondContact O-N 3.35Å; V1071-K1073 VanDerWaalsContact C-N 3.29Å; V1071-K1073 PolarHBondContact O-N 3.09Å; V1071-F1074 PolarHBondContact O-N 3.32Å; V1071-A1075 WeakPolarHBondContact O-CB 3.31Å; V1071-A1075 PolarHBondContact O-N 3.3Å; V1071-A1075 VanDerWaalsContact O-N 3.11Å; V1071-F1113 HydrophobicContact CG2-CB 4.38Å; V1071-F1113 HydrophobicContact CG2-CD1 4.23Å; V1071-F1113 HydrophobicContact CG2-CG 4.31Å; V1071-N1136 HydrophobicContact CG1-CB 4.37Å; V1071-L1137 HydrophobicContact CG1-CB 3.91Å; V1071-L1137 HydrophobicContact CG1-CD1 4.02Å; V1071-L1137 HydrophobicContact CG1-CG 4.45Å; V1071-L1137 HydrophobicContact CG2-CB 4.42Å; V1071-L1137 HydrophobicContact CG2-CD1 4.2Å; V1071-L1137 HydrophobicContact CG2-CD2 4.35Å; V1071-L1137 HydrophobicContact CG2-CG 4.45Å
1072E81Confident80Confident117.6 Ų117.680.4 Ų80.455%0.5539%0.388SS..Hα-helixtrans-62.5-37.2179.9-86.6179.4169.800112.6K1068 A1070 F1074 A1075 V1076K1068-E1072 PolarHBondContact O-N 3.19Å; A1070-E1072 VanDerWaalsContact C-N 3.32Å; A1070-E1072 PolarHBondContact O-N 3.12Å; E1072-F1074 VanDerWaalsContact C-N 3.31Å; E1072-F1074 PolarHBondContact O-N 2.85Å; E1072-A1075 WeakPolarHBondContact O-CB 3.44Å; E1072-A1075 PolarHBondContact O-N 3.19Å; E1072-V1076 WeakPolarHBondContact O-CG2 3.33Å; E1072-V1076 PolarHBondContact O-N 3.22Å; E1072-V1076 VanDerWaalsContact O-N 3.16Å
1073K83.9Confident79.6Confident149.8 Ų149.878.6 Ų78.665%0.65138%0.375SS*.Hα-helixtrans-68.8-34.5178-69.5176.6-177.4172.90112.6Q1069 A1070 V1071 K1077Q1069-K1073 WeakPolarHBondContact O-CG 3.39Å; Q1069-K1073 PolarHBondContact O-N 3.09Å; A1070-K1073 PolarHBondContact O-N 3.18Å; V1071-K1073 VanDerWaalsContact C-N 3.29Å; V1071-K1073 PolarHBondContact O-N 3.09Å; K1073-K1077 WeakPolarHBondContact O-CG 3.41Å; K1073-K1077 PolarHBondContact O-N 3.46Å
1074F84.6Confident79Confident9.6 Ų9.680.3 Ų80.34%0.04239%0.391CS..Hα-helixtrans-70.6-43.4178.8177.7-105.7000111.9A1070 V1071 E1072 V1076 K1077 W1078 R1106 E1109 L1110 F1113 V1140 L1144A1070-F1074 PolarHBondContact O-N 3.4Å; V1071-F1074 PolarHBondContact O-N 3.32Å; E1072-F1074 VanDerWaalsContact C-N 3.31Å; E1072-F1074 PolarHBondContact O-N 2.85Å; F1074-V1076 VanDerWaalsContact C-N 3.31Å; F1074-V1076 PolarHBondContact O-N 3.33Å; F1074-V1076 VanDerWaalsContact O-N 3.17Å; F1074-K1077 PolarHBondContact O-N 3.07Å; F1074-K1077 VanDerWaalsContact O-N 3.12Å; F1074-W1078 PolarHBondContact O-N 2.91Å; F1074-R1106 HydrophobicContact CE2-CB 4.29Å; F1074-R1106 HydrophobicContact CZ-CB 4.29Å; F1074-R1106 WeakPolarHBondContact CZ-O 3.23Å; F1074-E1109 HydrophobicContact CD2-CB 4.27Å; F1074-E1109 WeakPolarHBondContact CD2-OE2 3.3Å; F1074-E1109 HydrophobicContact CE2-CB 3.59Å; F1074-E1109 VanDerWaalsContact CE2-OE2 3.29Å; F1074-E1109 WeakPolarHBondContact CE2-OE2 3.32Å; F1074-E1109 HydrophobicContact CZ-CB 4.27Å; F1074-L1110 HydrophobicContact CD1-CD1 4.42Å; F1074-L1110 HydrophobicContact CE1-CB 3.9Å; F1074-L1110 HydrophobicContact CE1-CD1 3.83Å; F1074-L1110 HydrophobicContact CE1-CG 4.42Å; F1074-L1110 HydrophobicContact CZ-CB 3.85Å; F1074-F1113 HydrophobicContact CB-CD2 4.07Å; F1074-F1113 HydrophobicContact CB-CE2 3.55Å; F1074-F1113 VanDerWaalsContact CB-CE2 3.49Å; F1074-F1113 HydrophobicContact CB-CZ 4.17Å; F1074-F1113 AromaticContact CD1-CD2 3.99Å; F1074-F1113 HydrophobicContact CD1-CD2 4.13Å; F1074-F1113 HydrophobicContact CD1-CE2 4.26Å; F1074-F1113 HydrophobicContact CD2-CD2 4.27Å; F1074-F1113 AromaticContact CD2-CE2 3.77Å; F1074-F1113 HydrophobicContact CD2-CE2 3.77Å; F1074-F1113 HydrophobicContact CE2-CE2 4.43Å; F1074-F1113 AromaticContact CG-CD2 3.85Å; F1074-F1113 HydrophobicContact CG-CD2 3.89Å; F1074-F1113 AromaticContact CG-CE2 3.62Å; F1074-F1113 HydrophobicContact CG-CE2 3.62Å; F1074-F1113 VanDerWaalsContact CG-CE2 3.49Å; F1074-F1113 HydrophobicContact CG-CZ 4.47Å; F1074-V1140 HydrophobicContact CD1-CG1 3.91Å; F1074-V1140 HydrophobicContact CE1-CG1 3.53Å; F1074-V1140 VanDerWaalsContact CE1-CG1 3.5Å; F1074-L1144 HydrophobicContact CZ-CD1 4.12Å
1075A80.3Confident78.1Confident19.6 Ų19.681.3 Ų81.316%0.16240%0.401CS..Hα-helixtrans-54.2-44.4178.900000112.5V1071 E1072 K1077 W1078 Y1079 V1140V1071-A1075 WeakPolarHBondContact O-CB 3.31Å; V1071-A1075 PolarHBondContact O-N 3.3Å; V1071-A1075 VanDerWaalsContact O-N 3.11Å; E1072-A1075 WeakPolarHBondContact O-CB 3.44Å; E1072-A1075 PolarHBondContact O-N 3.19Å; A1075-K1077 VanDerWaalsContact C-N 3.33Å; A1075-K1077 PolarHBondContact O-N 3.05Å; A1075-W1078 PolarHBondContact O-N 3.18Å; A1075-Y1079 VanDerWaalsContact O-CD2 3.28Å; A1075-Y1079 WeakPolarHBondContact O-CD2 3.36Å; A1075-Y1079 PolarHBondContact O-N 3.35Å; A1075-Y1079 VanDerWaalsContact O-N 3.16Å; A1075-V1140 HydrophobicContact CB-CG2 3.54Å; A1075-V1140 VanDerWaalsContact CB-CG2 3.43Å
1076V82.1Confident77.1Confident90.2 Ų90.281.4 Ų81.455%0.54741%0.406SS..Hα-helixtrans-61.3-40.2179.3175.20000112.2E1072 F1074 W1078 Y1079 Q1080E1072-V1076 WeakPolarHBondContact O-CG2 3.33Å; E1072-V1076 PolarHBondContact O-N 3.22Å; E1072-V1076 VanDerWaalsContact O-N 3.16Å; F1074-V1076 VanDerWaalsContact C-N 3.31Å; F1074-V1076 PolarHBondContact O-N 3.33Å; F1074-V1076 VanDerWaalsContact O-N 3.17Å; V1076-W1078 VanDerWaalsContact C-N 3.33Å; V1076-W1078 PolarHBondContact O-N 2.87Å; V1076-Y1079 PolarHBondContact O-N 2.92Å; V1076-Q1080 WeakPolarHBondContact O-CG 3.34Å; V1076-Q1080 PolarHBondContact O-N 3.14Å
1077K81.3Confident76Confident116.4 Ų116.480.2 Ų80.251%0.50641%0.405SS..Hα-helixtrans-69.9-39.5-179.3-70.7178.6-180177.90112.6K1073 F1074 A1075 Y1079 Q1080 F1081K1073-K1077 WeakPolarHBondContact O-CG 3.41Å; K1073-K1077 PolarHBondContact O-N 3.46Å; F1074-K1077 PolarHBondContact O-N 3.07Å; F1074-K1077 VanDerWaalsContact O-N 3.12Å; A1075-K1077 VanDerWaalsContact C-N 3.33Å; A1075-K1077 PolarHBondContact O-N 3.05Å; K1077-Y1079 PolarHBondContact O-N 3.05Å; K1077-Q1080 PolarHBondContact O-N 3.04Å; K1077-F1081 WeakPolarHBondContact O-CD2 3.35Å; K1077-F1081 PolarHBondContact O-N 3.36Å
1078W83.7Confident74.9Confident6 Ų680.5 Ų80.52%0.02341%0.409CS..Hα-helixtrans-62.2-47.4-178.3168.7-112.3000112.4F1074 A1075 V1076 Q1080 F1081 K1082 L1103 R1106 V1140 S1143 L1144F1074-W1078 PolarHBondContact O-N 2.91Å; A1075-W1078 PolarHBondContact O-N 3.18Å; V1076-W1078 VanDerWaalsContact C-N 3.33Å; V1076-W1078 PolarHBondContact O-N 2.87Å; W1078-Q1080 VanDerWaalsContact C-N 3.27Å; W1078-Q1080 PolarHBondContact O-N 3.26Å; W1078-Q1080 VanDerWaalsContact O-N 3.11Å; W1078-F1081 HydrophobicContact CE3-CD1 4.2Å; W1078-F1081 AromaticContact CZ3-CD1 3.9Å; W1078-F1081 HydrophobicContact CZ3-CD1 3.9Å; W1078-F1081 HydrophobicContact CZ3-CE1 4.15Å; W1078-F1081 PolarHBondContact O-N 3.08Å; W1078-F1081 VanDerWaalsContact O-N 3.1Å; W1078-K1082 HydrophobicContact CH2-CG 4.5Å; W1078-K1082 HydrophobicContact CZ2-CB 4.43Å; W1078-K1082 HydrophobicContact CZ2-CD 4.39Å; W1078-K1082 HydrophobicContact CZ2-CG 4.11Å; W1078-K1082 PolarHBondContact O-N 3.13Å; W1078-K1082 VanDerWaalsContact O-N 3.16Å; W1078-L1103 HydrophobicContact CH2-CD1 3.47Å; W1078-L1103 VanDerWaalsContact CH2-CD1 3.47Å; W1078-L1103 HydrophobicContact CH2-CD2 4.24Å; W1078-L1103 HydrophobicContact CZ3-CD1 3.47Å; W1078-L1103 VanDerWaalsContact CZ3-CD1 3.47Å; W1078-L1103 HydrophobicContact CZ3-CD2 4.43Å; W1078-R1106 HydrophobicContact CE3-CB 4.25Å; W1078-R1106 HydrophobicContact CE3-CG 4.32Å; W1078-R1106 HydrophobicContact CZ3-CB 4.26Å; W1078-R1106 HydrophobicContact CZ3-CG 4.39Å; W1078-V1140 HydrophobicContact CB-CG1 4.25Å; W1078-V1140 HydrophobicContact CG-CG1 4.14Å; W1078-S1143 VanDerWaalsContact NE1-CB 3.29Å; W1078-S1143 PolarHBondContact NE1-OG 3.15Å; W1078-S1143 VanDerWaalsContact NE1-OG 3.12Å; W1078-L1144 HydrophobicContact CD2-CB 4.36Å; W1078-L1144 HydrophobicContact CD2-CD1 4.24Å; W1078-L1144 HydrophobicContact CD2-CG 4.37Å; W1078-L1144 HydrophobicContact CE3-CD1 3.79Å; W1078-L1144 HydrophobicContact CE3-CG 4.28Å; W1078-L1144 HydrophobicContact CH2-CB 4.15Å; W1078-L1144 HydrophobicContact CH2-CD1 4.02Å; W1078-L1144 HydrophobicContact CH2-CG 3.98Å; W1078-L1144 VanDerWaalsContact CZ2-CA 3.45Å; W1078-L1144 HydrophobicContact CZ2-CB 3.92Å; W1078-L1144 HydrophobicContact CZ2-CD1 4.36Å; W1078-L1144 HydrophobicContact CZ2-CG 4.17Å; W1078-L1144 HydrophobicContact CZ3-CB 4.46Å; W1078-L1144 HydrophobicContact CZ3-CD1 3.67Å; W1078-L1144 HydrophobicContact CZ3-CG 3.98Å
1079Y78.9Confident73.7Confident119.6 Ų119.682.3 Ų82.347%0.46942%0.416SS..Hα-helixtrans-68-19.8-177.2-73.3-68000114A1075 V1076 K1077 V1140A1075-Y1079 VanDerWaalsContact O-CD2 3.28Å; A1075-Y1079 WeakPolarHBondContact O-CD2 3.36Å; A1075-Y1079 PolarHBondContact O-N 3.35Å; A1075-Y1079 VanDerWaalsContact O-N 3.16Å; V1076-Y1079 PolarHBondContact O-N 2.92Å; K1077-Y1079 PolarHBondContact O-N 3.05Å; Y1079-V1140 HydrophobicContact CE2-CG2 4.37Å
1080Q77.9Confident72.6Confident141.4 Ų141.484.2 Ų84.266%0.66143%0.43SS*.Hα-helixtrans-77-28.3176.1-73.8-179.9-7.600114.1V1076 K1077 W1078V1076-Q1080 WeakPolarHBondContact O-CG 3.34Å; V1076-Q1080 PolarHBondContact O-N 3.14Å; K1077-Q1080 PolarHBondContact O-N 3.04Å; W1078-Q1080 VanDerWaalsContact C-N 3.27Å; W1078-Q1080 PolarHBondContact O-N 3.26Å; W1078-Q1080 VanDerWaalsContact O-N 3.11Å
1081F72.8Confident71.8Confident116.2 Ų116.284.8 Ų84.851%0.5143%0.429SS..SBendtrans-115.38.3-169.5-80.8-85000114.5K1077 W1078 P1083 I1099 L1102 L1103 R1106K1077-F1081 WeakPolarHBondContact O-CD2 3.35Å; K1077-F1081 PolarHBondContact O-N 3.36Å; W1078-F1081 HydrophobicContact CE3-CD1 4.2Å; W1078-F1081 AromaticContact CZ3-CD1 3.9Å; W1078-F1081 HydrophobicContact CZ3-CD1 3.9Å; W1078-F1081 HydrophobicContact CZ3-CE1 4.15Å; W1078-F1081 PolarHBondContact O-N 3.08Å; W1078-F1081 VanDerWaalsContact O-N 3.1Å; F1081-P1083 HydrophobicContact CE1-CG 4.18Å; F1081-P1083 HydrophobicContact CZ-CG 4.15Å; F1081-P1083 VanDerWaalsContact O-CD 3.29Å; F1081-P1083 WeakPolarHBondContact O-CD 3.36Å; F1081-P1083 VanDerWaalsContact O-N 3.12Å; F1081-I1099 HydrophobicContact CZ-CG2 4.19Å; F1081-L1102 HydrophobicContact CD2-CD2 3.5Å; F1081-L1102 VanDerWaalsContact CD2-CD2 3.5Å; F1081-L1102 HydrophobicContact CD2-CG 4.16Å; F1081-L1102 HydrophobicContact CE1-CB 4.41Å; F1081-L1102 HydrophobicContact CE1-CG 4.22Å; F1081-L1102 HydrophobicContact CE2-CB 4.06Å; F1081-L1102 HydrophobicContact CE2-CD2 3.4Å; F1081-L1102 HydrophobicContact CE2-CG 3.87Å; F1081-L1102 HydrophobicContact CG-CD2 4.16Å; F1081-L1102 HydrophobicContact CG-CG 4.49Å; F1081-L1102 HydrophobicContact CZ-CB 3.81Å; F1081-L1102 HydrophobicContact CZ-CD2 3.96Å; F1081-L1102 HydrophobicContact CZ-CG 3.88Å; F1081-L1103 HydrophobicContact CE1-CB 4.18Å; F1081-L1103 HydrophobicContact CE1-CD1 4.33Å; F1081-L1103 HydrophobicContact CZ-CB 4.44Å; F1081-R1106 HydrophobicContact CD1-CG 4.29Å
1082K71.9Confident71Confident97.2 Ų97.290.6 Ų90.642%0.42346%0.456SS..  trans-57.6116.6-174.9-176.1177.1178.4173.20112.4W1078 L1084 S1143 S1147W1078-K1082 HydrophobicContact CH2-CG 4.5Å; W1078-K1082 HydrophobicContact CZ2-CB 4.43Å; W1078-K1082 HydrophobicContact CZ2-CD 4.39Å; W1078-K1082 HydrophobicContact CZ2-CG 4.11Å; W1078-K1082 PolarHBondContact O-N 3.13Å; W1078-K1082 VanDerWaalsContact O-N 3.16Å; K1082-L1084 PolarHBondContact O-N 3.11Å; K1082-S1143 PolarHBondContact NZ-OG 2.99Å; K1082-S1143 VanDerWaalsContact NZ-OG 3.14Å; K1082-S1147 WeakPolarHBondContact CE-OG 3.31Å
1083P66.9Low70.2Confident36.2 Ų36.290.9 Ų90.924%0.23546%0.457CS..  trans-72.3136.4-178.317.7-20.2000112.6F1081 I1099 L1103 W1151F1081-P1083 HydrophobicContact CE1-CG 4.18Å; F1081-P1083 HydrophobicContact CZ-CG 4.15Å; F1081-P1083 VanDerWaalsContact O-CD 3.29Å; F1081-P1083 WeakPolarHBondContact O-CD 3.36Å; F1081-P1083 VanDerWaalsContact O-N 3.12Å; P1083-I1099 HydrophobicContact CB-CG2 3.95Å; P1083-I1099 HydrophobicContact CG-CG2 4.11Å; P1083-L1103 HydrophobicContact CG-CD1 3.44Å; P1083-L1103 VanDerWaalsContact CG-CD1 3.44Å; P1083-L1103 HydrophobicContact CG-CD2 4.27Å; P1083-L1103 HydrophobicContact CG-CG 4.04Å; P1083-W1151 HydrophobicContact CB-CZ2 4.17Å
1084L65.1Low69.4Low141.8 Ų141.890.1 Ų90.174%0.74246%0.46SS*.  trans-94135.1177.5-70.1160.4000110.9K1082 D1086 A1087K1082-L1084 PolarHBondContact O-N 3.11Å; L1084-D1086 VanDerWaalsContact C-N 3.3Å; L1084-D1086 PolarHBondContact O-N 3.27Å; L1084-A1087 PolarHBondContact O-N 2.96Å; L1084-A1087 VanDerWaalsContact O-N 3.15Å
1085C59Low68.7Low57.8 Ų57.894.6 Ų94.639%0.39148%0.479SS..G310 helixtrans-64.8-27.7-175.4-105.10000114.5A1087 A1088 V1150C1085-A1087 VanDerWaalsContact C-N 3.28Å; C1085-A1087 PolarHBondContact O-N 3.24Å; C1085-A1088 PolarHBondContact O-N 3.11Å; C1085-V1150 HydrophobicContact CB-CG1 4.31Å; C1085-V1150 VanDerWaalsContact SG-CG1 3.54Å; C1085-V1150 WeakPolarHBondContact SG-CG1 3.21Å
1086D58Low68.3Low139.2 Ų139.294 Ų9474%0.74447%0.473SS*.G310 helixtrans-74.4-16-174-66.7-33.1000114L1084 A1088L1084-D1086 VanDerWaalsContact C-N 3.3Å; L1084-D1086 PolarHBondContact O-N 3.27Å; D1086-A1088 VanDerWaalsContact C-N 3.33Å; D1086-A1088 PolarHBondContact O-N 3.24Å
1087A59.2Low67.8Low68.8 Ų68.892.3 Ų92.357%0.56946%0.46SS*.G310 helixtrans-77.4-5.9-178.800000114L1084 C1085 K1089 L1091L1084-A1087 PolarHBondContact O-N 2.96Å; L1084-A1087 VanDerWaalsContact O-N 3.15Å; C1085-A1087 VanDerWaalsContact C-N 3.28Å; C1085-A1087 PolarHBondContact O-N 3.24Å; A1087-K1089 VanDerWaalsContact C-N 3.28Å; A1087-K1089 PolarHBondContact O-N 3.2Å; A1087-L1091 HydrophobicContact CB-CD1 4.44Å; A1087-L1091 WeakPolarHBondContact O-CD1 3.38Å; A1087-L1091 VanDerWaalsContact O-CG 3.27Å; A1087-L1091 WeakPolarHBondContact O-CG 3.31Å
1088A59Low67.4Low10 Ų1093.2 Ų93.28%0.08347%0.466CS..G310 helixtrans-87.5-6.1-169.800000116C1085 D1086 D1090 L1091 L1096 W1151 F1197 V1198C1085-A1088 PolarHBondContact O-N 3.11Å; D1086-A1088 VanDerWaalsContact C-N 3.33Å; D1086-A1088 PolarHBondContact O-N 3.24Å; A1088-D1090 VanDerWaalsContact C-N 3.34Å; A1088-D1090 PolarHBondContact O-N 3.13Å; A1088-L1091 HydrophobicContact CB-CD1 4.39Å; A1088-L1096 HydrophobicContact CB-CD2 4.09Å; A1088-W1151 HydrophobicContact CB-CH2 4.09Å; A1088-W1151 HydrophobicContact CB-CZ2 4.39Å; A1088-F1197 HydrophobicContact CB-CB 4.08Å; A1088-F1197 HydrophobicContact CB-CD1 3.96Å; A1088-F1197 HydrophobicContact CB-CE1 4.01Å; A1088-F1197 WeakPolarHBondContact O-CE1 3.39Å; A1088-F1197 WeakPolarHBondContact O-CZ 3.19Å; A1088-V1198 HydrophobicContact CB-CG2 3.72Å
1089K55.4Low67.1Low134.2 Ų134.294.9 Ų94.958%0.58348%0.475SS*.THydrogen-bonded Turntrans-65-38.4-173.1-121.4-179.2178178.60114.2A1087 F1197A1087-K1089 VanDerWaalsContact C-N 3.28Å; A1087-K1089 PolarHBondContact O-N 3.2Å; K1089-F1197 HydrophobicContact CB-CD1 3.98Å; K1089-F1197 HydrophobicContact CB-CE1 4.27Å; K1089-F1197 HydrophobicContact CB-CE2 4.42Å; K1089-F1197 HydrophobicContact CB-CG 4.32Å; K1089-F1197 HydrophobicContact CD-CD1 4.22Å; K1089-F1197 HydrophobicContact CD-CE1 4.03Å; K1089-F1197 HydrophobicContact CD-CE2 4.4Å; K1089-F1197 HydrophobicContact CD-CZ 4.22Å; K1089-F1197 VanDerWaalsContact CE-CE2 3.4Å; K1089-F1197 HydrophobicContact CG-CD1 4.07Å; K1089-F1197 HydrophobicContact CG-CD2 4.34Å; K1089-F1197 HydrophobicContact CG-CE1 3.97Å; K1089-F1197 HydrophobicContact CG-CE2 4.01Å; K1089-F1197 HydrophobicContact CG-CG 4.49Å; K1089-F1197 HydrophobicContact CG-CZ 4.21Å
1090D59.1Low66.8Low156 Ų15689.3 Ų89.383%0.83445%0.454SS*.THydrogen-bonded Turntrans-113.113.9-170.3-59.2-40.9000113.5A1088A1088-D1090 VanDerWaalsContact C-N 3.34Å; A1088-D1090 PolarHBondContact O-N 3.13Å
1091L64.4Low66.7Low43.8 Ų43.886.4 Ų86.423%0.22944%0.443CS..  trans-87.8138.7-178-69.4170.7000112.3A1087 A1088 K1095 L1096 I1099 R1201A1087-L1091 HydrophobicContact CB-CD1 4.44Å; A1087-L1091 WeakPolarHBondContact O-CD1 3.38Å; A1087-L1091 VanDerWaalsContact O-CG 3.27Å; A1087-L1091 WeakPolarHBondContact O-CG 3.31Å; A1088-L1091 HydrophobicContact CB-CD1 4.39Å; L1091-K1095 HydrophobicContact CB-CB 4.34Å; L1091-K1095 HydrophobicContact CD2-CB 4.1Å; L1091-K1095 HydrophobicContact CD2-CD 3.7Å; L1091-K1095 HydrophobicContact CD2-CG 4.47Å; L1091-L1096 HydrophobicContact CB-CD2 4.12Å; L1091-L1096 HydrophobicContact CB-CG 4.16Å; L1091-L1096 HydrophobicContact CD1-CD2 4.28Å; L1091-I1099 HydrophobicContact CD1-CD1 3.94Å; L1091-R1201 PolarHBondContact O-NH1 3.38Å; L1091-R1201 PolarHBondContact O-NH2 3.2Å; L1091-R1201 VanDerWaalsContact O-NH2 3.09Å
1092E66.2Low67Low132 Ų13284.2 Ų84.262%0.61744%0.436SS*.  trans-63.5154.3169.3-68.3171156.300111.2D1094 K1095 L1096E1092-D1094 VanDerWaalsContact C-N 3.26Å; E1092-D1094 PolarHBondContact O-N 3.11Å; E1092-D1094 VanDerWaalsContact O-N 3.12Å; E1092-K1095 PolarHBondContact O-N 3.23Å; E1092-K1095 VanDerWaalsContact O-N 3.11Å; E1092-K1095 IonicContact OE2-NZ 2.7Å; E1092-L1096 PolarHBondContact O-N 3.28Å; E1092-L1096 VanDerWaalsContact O-N 3.09Å
1093E65.5Low67.3Low123.2 Ų123.280 Ų8058%0.57642%0.418SS*.Hα-helixtrans-55.5-35.7-177.1-73.6-176.5168.100113K1095 L1096 M1097 R1201E1093-K1095 PolarHBondContact O-N 3.04Å; E1093-L1096 PolarHBondContact O-N 3.15Å; E1093-M1097 PolarHBondContact O-N 3.13Å; E1093-R1201 IonicContact OE1-NH2 3.47Å
1094D66.2Low67.8Low133.8 Ų133.880.6 Ų80.672%0.71642%0.423SS*.Hα-helixtrans-65.6-40.7179.7-67.1-28.5000112.5E1092 L1096 M1097 E1098E1092-D1094 VanDerWaalsContact C-N 3.26Å; E1092-D1094 PolarHBondContact O-N 3.11Å; E1092-D1094 VanDerWaalsContact O-N 3.12Å; D1094-L1096 VanDerWaalsContact C-N 3.32Å; D1094-L1096 PolarHBondContact O-N 3.27Å; D1094-M1097 PolarHBondContact O-N 3.25Å; D1094-E1098 PolarHBondContact O-N 3.13Å
1095K70.3Confident68.6Low103.8 Ų103.879 Ų7945%0.45141%0.412SS..Hα-helixtrans-71.1-30.6178.5-69.1-177.4-178.2170.10112.4L1091 E1092 E1093 M1097 E1098 I1099L1091-K1095 HydrophobicContact CB-CB 4.34Å; L1091-K1095 HydrophobicContact CD2-CB 4.1Å; L1091-K1095 HydrophobicContact CD2-CD 3.7Å; L1091-K1095 HydrophobicContact CD2-CG 4.47Å; E1092-K1095 PolarHBondContact O-N 3.23Å; E1092-K1095 VanDerWaalsContact O-N 3.11Å; E1092-K1095 IonicContact OE2-NZ 2.7Å; E1093-K1095 PolarHBondContact O-N 3.04Å; K1095-M1097 VanDerWaalsContact C-N 3.33Å; K1095-E1098 PolarHBondContact O-N 3.07Å; K1095-I1099 WeakPolarHBondContact O-CG1 3.22Å; K1095-I1099 PolarHBondContact O-N 3.42Å; K1095-I1099 VanDerWaalsContact O-N 3.16Å
1096L71.4Confident69.7Low6.6 Ų6.678.6 Ų78.64%0.03540%0.402CS..Hα-helixtrans-67.8-36.6175.1-68.3168.9000111.5A1088 L1091 E1092 E1093 D1094 I1099 A1100 W1151 Y1154 R1201A1088-L1096 HydrophobicContact CB-CD2 4.09Å; L1091-L1096 HydrophobicContact CB-CD2 4.12Å; L1091-L1096 HydrophobicContact CB-CG 4.16Å; L1091-L1096 HydrophobicContact CD1-CD2 4.28Å; E1092-L1096 PolarHBondContact O-N 3.28Å; E1092-L1096 VanDerWaalsContact O-N 3.09Å; E1093-L1096 PolarHBondContact O-N 3.15Å; D1094-L1096 VanDerWaalsContact C-N 3.32Å; D1094-L1096 PolarHBondContact O-N 3.27Å; L1096-I1099 PolarHBondContact O-N 3.14Å; L1096-A1100 PolarHBondContact O-N 3.28Å; L1096-A1100 VanDerWaalsContact O-N 3.12Å; L1096-W1151 HydrophobicContact CB-CZ3 4.33Å; L1096-W1151 HydrophobicContact CD2-CH2 3.88Å; L1096-W1151 HydrophobicContact CD2-CZ3 3.82Å; L1096-Y1154 HydrophobicContact CB-CE1 3.86Å; L1096-Y1154 VanDerWaalsContact CB-OH 3.3Å; L1096-Y1154 WeakPolarHBondContact CB-OH 3.23Å; L1096-Y1154 HydrophobicContact CD1-CE1 4.5Å; L1096-Y1154 HydrophobicContact CD1-CE2 4.35Å; L1096-R1201 HydrophobicContact CD1-CG 4.41Å
1097M71.2Confident70.9Confident53.6 Ų53.674.7 Ų74.726%0.26438%0.377SS..Hα-helixtrans-69-36.4174.3-80.4-65.3-64.700112.6E1093 D1094 K1095 I1099 A1100 N1101 Y1154 Q1155 T1158E1093-M1097 PolarHBondContact O-N 3.13Å; D1094-M1097 PolarHBondContact O-N 3.25Å; K1095-M1097 VanDerWaalsContact C-N 3.33Å; M1097-I1099 VanDerWaalsContact C-N 3.34Å; M1097-I1099 PolarHBondContact O-N 3.3Å; M1097-A1100 PolarHBondContact O-N 2.99Å; M1097-N1101 VanDerWaalsContact O-CB 3.28Å; M1097-N1101 WeakPolarHBondContact O-CB 3.3Å; M1097-N1101 VanDerWaalsContact O-CG 3.22Å; M1097-N1101 PolarHBondContact O-N 3.45Å; M1097-N1101 VanDerWaalsContact O-N 3.13Å; M1097-N1101 PolarHBondContact O-ND2 3.05Å; M1097-Y1154 HydrophobicContact CG-CE1 4.32Å; M1097-Y1154 HydrophobicContact SD-CD1 4.48Å; M1097-Y1154 HydrophobicContact SD-CE1 4.1Å; M1097-Q1155 HydrophobicContact CE-CG 4.37Å; M1097-T1158 HydrophobicContact CE-CG2 4.35Å; M1097-T1158 HydrophobicContact CG-CG2 4.17Å; M1097-T1158 HydrophobicContact SD-CG2 3.59Å; M1097-T1158 WeakPolarHBondContact SD-CG2 3.42Å
1098E74.2Confident71.9Confident136.2 Ų136.274.6 Ų74.664%0.63637%0.372SS*.Hα-helixtrans-61.2-42.3176.2-152.9179.1-179.400112.1D1094 K1095 A1100 N1101 L1102D1094-E1098 PolarHBondContact O-N 3.13Å; K1095-E1098 PolarHBondContact O-N 3.07Å; E1098-A1100 PolarHBondContact O-N 3.1Å; E1098-N1101 PolarHBondContact O-N 3.18Å; E1098-L1102 VanDerWaalsContact O-CB 3.24Å; E1098-L1102 WeakPolarHBondContact O-CB 3.38Å; E1098-L1102 PolarHBondContact O-N 3.25Å
1099I75.8Confident73.1Confident41.2 Ų41.276.6 Ų76.621%0.21138%0.379CS..Hα-helixtrans-64.3-43.3177.2-64.9167.5000111.3F1081 P1083 L1091 K1095 L1096 M1097 N1101 L1102 L1103 W1151F1081-I1099 HydrophobicContact CZ-CG2 4.19Å; P1083-I1099 HydrophobicContact CB-CG2 3.95Å; P1083-I1099 HydrophobicContact CG-CG2 4.11Å; L1091-I1099 HydrophobicContact CD1-CD1 3.94Å; K1095-I1099 WeakPolarHBondContact O-CG1 3.22Å; K1095-I1099 PolarHBondContact O-N 3.42Å; K1095-I1099 VanDerWaalsContact O-N 3.16Å; L1096-I1099 PolarHBondContact O-N 3.14Å; M1097-I1099 VanDerWaalsContact C-N 3.34Å; M1097-I1099 PolarHBondContact O-N 3.3Å; I1099-N1101 VanDerWaalsContact C-N 3.34Å; I1099-N1101 PolarHBondContact O-N 3.15Å; I1099-L1102 PolarHBondContact O-N 3.2Å; I1099-L1103 HydrophobicContact CG2-CD1 4.48Å; I1099-L1103 WeakPolarHBondContact O-CB 3.42Å; I1099-L1103 PolarHBondContact O-N 3.13Å; I1099-L1103 VanDerWaalsContact O-N 3.1Å; I1099-W1151 HydrophobicContact CB-CE3 4.48Å; I1099-W1151 HydrophobicContact CB-CH2 4.31Å; I1099-W1151 HydrophobicContact CB-CZ2 4.49Å; I1099-W1151 HydrophobicContact CB-CZ3 4.32Å; I1099-W1151 HydrophobicContact CD1-CH2 4.04Å; I1099-W1151 HydrophobicContact CD1-CZ2 4.34Å; I1099-W1151 HydrophobicContact CD1-CZ3 4.37Å; I1099-W1151 HydrophobicContact CG2-CD2 4.14Å; I1099-W1151 HydrophobicContact CG2-CE3 4.17Å; I1099-W1151 HydrophobicContact CG2-CH2 3.91Å; I1099-W1151 HydrophobicContact CG2-CZ2 3.79Å; I1099-W1151 HydrophobicContact CG2-CZ3 4.14Å
1100A73.2Confident74.4Confident2.2 Ų2.270.2 Ų70.22%0.01835%0.352CS..Hα-helixtrans-63.7-41.2178.200000112L1096 M1097 E1098 L1102 L1103 S1104 Y1154 Q1155L1096-A1100 PolarHBondContact O-N 3.28Å; L1096-A1100 VanDerWaalsContact O-N 3.12Å; M1097-A1100 PolarHBondContact O-N 2.99Å; E1098-A1100 PolarHBondContact O-N 3.1Å; A1100-L1102 PolarHBondContact O-N 3.15Å; A1100-L1103 WeakPolarHBondContact O-CB 3.15Å; A1100-L1103 PolarHBondContact O-N 3.21Å; A1100-S1104 PolarHBondContact O-N 3.03Å; A1100-S1104 VanDerWaalsContact O-N 3.11Å; A1100-S1104 PolarHBondContact O-OG 3.04Å; A1100-Y1154 HydrophobicContact CB-CD1 4.21Å; A1100-Y1154 HydrophobicContact CB-CE1 4.48Å; A1100-Q1155 HydrophobicContact CB-CB 4.04Å; A1100-Q1155 HydrophobicContact CB-CG 4.13Å
1101N75.6Confident75.6Confident79.8 Ų79.865.2 Ų65.243%0.42733%0.325SS..Hα-helixtrans-64.7-42.4177.6-71.5-19.9000112M1097 E1098 I1099 L1103 S1104 Q1105 Q1155M1097-N1101 VanDerWaalsContact O-CB 3.28Å; M1097-N1101 WeakPolarHBondContact O-CB 3.3Å; M1097-N1101 VanDerWaalsContact O-CG 3.22Å; M1097-N1101 PolarHBondContact O-N 3.45Å; M1097-N1101 VanDerWaalsContact O-N 3.13Å; M1097-N1101 PolarHBondContact O-ND2 3.05Å; E1098-N1101 PolarHBondContact O-N 3.18Å; I1099-N1101 VanDerWaalsContact C-N 3.34Å; I1099-N1101 PolarHBondContact O-N 3.15Å; N1101-L1103 VanDerWaalsContact C-N 3.29Å; N1101-L1103 PolarHBondContact O-N 3.04Å; N1101-S1104 WeakPolarHBondContact CA-OG 2.93Å; N1101-S1104 PolarHBondContact O-N 3.36Å; N1101-S1104 VanDerWaalsContact O-N 3.15Å; N1101-S1104 PolarHBondContact O-OG 3.2Å; N1101-Q1105 WeakPolarHBondContact O-CB 3.45Å; N1101-Q1105 PolarHBondContact O-N 3.19Å; N1101-Q1155 PolarHBondContact OD1-NE2 3.39Å
1102L79.1Confident76.6Confident71.8 Ų71.869.1 Ų69.138%0.37634%0.342SS..Hα-helixtrans-61.6-37.7177.7-173.666.3000112.1F1081 E1098 I1099 A1100 Q1105 R1106F1081-L1102 HydrophobicContact CD2-CD2 3.5Å; F1081-L1102 VanDerWaalsContact CD2-CD2 3.5Å; F1081-L1102 HydrophobicContact CD2-CG 4.16Å; F1081-L1102 HydrophobicContact CE1-CB 4.41Å; F1081-L1102 HydrophobicContact CE1-CG 4.22Å; F1081-L1102 HydrophobicContact CE2-CB 4.06Å; F1081-L1102 HydrophobicContact CE2-CD2 3.4Å; F1081-L1102 HydrophobicContact CE2-CG 3.87Å; F1081-L1102 HydrophobicContact CG-CD2 4.16Å; F1081-L1102 HydrophobicContact CG-CG 4.49Å; F1081-L1102 HydrophobicContact CZ-CB 3.81Å; F1081-L1102 HydrophobicContact CZ-CD2 3.96Å; F1081-L1102 HydrophobicContact CZ-CG 3.88Å; E1098-L1102 VanDerWaalsContact O-CB 3.24Å; E1098-L1102 WeakPolarHBondContact O-CB 3.38Å; E1098-L1102 PolarHBondContact O-N 3.25Å; I1099-L1102 PolarHBondContact O-N 3.2Å; A1100-L1102 PolarHBondContact O-N 3.15Å; L1102-Q1105 PolarHBondContact O-N 3.01Å; L1102-R1106 VanDerWaalsContact O-CG 3.29Å; L1102-R1106 WeakPolarHBondContact O-CG 3.44Å; L1102-R1106 PolarHBondContact O-N 3.18Å
1103L79.5Confident77.4Confident8.4 Ų8.464.6 Ų64.64%0.04432%0.32CS..Hα-helixtrans-65.4-42.5175.9-98.5150.5000112.1W1078 F1081 P1083 I1099 A1100 N1101 Q1105 R1106 R1107 E1148 W1151W1078-L1103 HydrophobicContact CH2-CD1 3.47Å; W1078-L1103 VanDerWaalsContact CH2-CD1 3.47Å; W1078-L1103 HydrophobicContact CH2-CD2 4.24Å; W1078-L1103 HydrophobicContact CZ3-CD1 3.47Å; W1078-L1103 VanDerWaalsContact CZ3-CD1 3.47Å; W1078-L1103 HydrophobicContact CZ3-CD2 4.43Å; F1081-L1103 HydrophobicContact CE1-CB 4.18Å; F1081-L1103 HydrophobicContact CE1-CD1 4.33Å; F1081-L1103 HydrophobicContact CZ-CB 4.44Å; P1083-L1103 HydrophobicContact CG-CD1 3.44Å; P1083-L1103 VanDerWaalsContact CG-CD1 3.44Å; P1083-L1103 HydrophobicContact CG-CD2 4.27Å; P1083-L1103 HydrophobicContact CG-CG 4.04Å; I1099-L1103 HydrophobicContact CG2-CD1 4.48Å; I1099-L1103 WeakPolarHBondContact O-CB 3.42Å; I1099-L1103 PolarHBondContact O-N 3.13Å; I1099-L1103 VanDerWaalsContact O-N 3.1Å; A1100-L1103 WeakPolarHBondContact O-CB 3.15Å; A1100-L1103 PolarHBondContact O-N 3.21Å; N1101-L1103 VanDerWaalsContact C-N 3.29Å; N1101-L1103 PolarHBondContact O-N 3.04Å; L1103-Q1105 VanDerWaalsContact C-N 3.32Å; L1103-Q1105 PolarHBondContact O-N 3.3Å; L1103-R1106 PolarHBondContact O-N 3.16Å; L1103-R1107 PolarHBondContact O-N 3.28Å; L1103-R1107 VanDerWaalsContact O-N 3.07Å; L1103-E1148 HydrophobicContact CD2-CB 4.24Å; L1103-W1151 HydrophobicContact CD1-CB 3.97Å; L1103-W1151 VanDerWaalsContact CD1-CD1 3.49Å; L1103-W1151 HydrophobicContact CD1-CD2 4.38Å; L1103-W1151 HydrophobicContact CD1-CG 3.74Å; L1103-W1151 HydrophobicContact CD2-CB 3.45Å; L1103-W1151 VanDerWaalsContact CD2-CB 3.45Å; L1103-W1151 HydrophobicContact CD2-CG 3.85Å
1104S77.1Confident78.3Confident49 Ų4960.1 Ų60.134%0.34330%0.3SS..Hα-helixtrans-63.9-35.5175.665.80000113A1100 N1101 R1107 S1108 Q1155A1100-S1104 PolarHBondContact O-N 3.03Å; A1100-S1104 VanDerWaalsContact O-N 3.11Å; A1100-S1104 PolarHBondContact O-OG 3.04Å; N1101-S1104 WeakPolarHBondContact CA-OG 2.93Å; N1101-S1104 PolarHBondContact O-N 3.36Å; N1101-S1104 VanDerWaalsContact O-N 3.15Å; N1101-S1104 PolarHBondContact O-OG 3.2Å; S1104-R1107 WeakPolarHBondContact O-CB 3.4Å; S1104-R1107 PolarHBondContact O-N 3.08Å; S1104-S1108 PolarHBondContact O-N 3.11Å; S1104-Q1155 PolarHBondContact OG-NE2 3.27Å
1105Q81.1Confident79Confident108.6 Ų108.658.9 Ų58.951%0.50729%0.294SS..Hα-helixtrans-65.1-45.1176.2-174.9-178.63.300111.4N1101 L1102 L1103 R1107 S1108 E1109N1101-Q1105 WeakPolarHBondContact O-CB 3.45Å; N1101-Q1105 PolarHBondContact O-N 3.19Å; L1102-Q1105 PolarHBondContact O-N 3.01Å; L1103-Q1105 VanDerWaalsContact C-N 3.32Å; L1103-Q1105 PolarHBondContact O-N 3.3Å; Q1105-R1107 VanDerWaalsContact C-N 3.28Å; Q1105-R1107 PolarHBondContact O-N 3.13Å; Q1105-S1108 WeakPolarHBondContact O-CB 3.36Å; Q1105-S1108 PolarHBondContact O-N 3.22Å; Q1105-E1109 PolarHBondContact NE2-OE1 3.47Å; Q1105-E1109 WeakPolarHBondContact O-CG 3.36Å; Q1105-E1109 PolarHBondContact O-N 3.14Å
1106R82.4Confident79.5Confident47.4 Ų47.458.1 Ų58.118%0.17929%0.292CS..Hα-helixtrans-67.1-29.5177.3-66.7-61.5-178.5-154.4-8.8112.7F1074 W1078 F1081 L1102 L1103 E1109 L1110 L1144F1074-R1106 HydrophobicContact CE2-CB 4.29Å; F1074-R1106 HydrophobicContact CZ-CB 4.29Å; F1074-R1106 WeakPolarHBondContact CZ-O 3.23Å; W1078-R1106 HydrophobicContact CE3-CB 4.25Å; W1078-R1106 HydrophobicContact CE3-CG 4.32Å; W1078-R1106 HydrophobicContact CZ3-CB 4.26Å; W1078-R1106 HydrophobicContact CZ3-CG 4.39Å; F1081-R1106 HydrophobicContact CD1-CG 4.29Å; L1102-R1106 VanDerWaalsContact O-CG 3.29Å; L1102-R1106 WeakPolarHBondContact O-CG 3.44Å; L1102-R1106 PolarHBondContact O-N 3.18Å; L1103-R1106 PolarHBondContact O-N 3.16Å; R1106-E1109 WeakPolarHBondContact CD-OE2 3.35Å; R1106-E1109 IonicContact CZ-OE1 3.15Å; R1106-E1109 IonicContact CZ-OE2 3.05Å; R1106-E1109 IonicContact NH1-OE1 3.66Å; R1106-E1109 PolarHBondContact NH1-OE1 3.33Å; R1106-E1109 IonicContact NH1-OE2 3.34Å; R1106-E1109 PolarHBondContact NH1-OE2 3.29Å; R1106-L1110 WeakPolarHBondContact O-CB 3.43Å; R1106-L1110 PolarHBondContact O-N 3.22Å; R1106-L1110 VanDerWaalsContact O-N 3.14Å; R1106-L1144 HydrophobicContact CB-CD1 3.74Å; R1106-L1144 WeakPolarHBondContact O-CD1 3.32Å
1107R82.6Confident80Confident59.2 Ų59.258 Ų5822%0.22329%0.292CS..Hα-helixtrans-63.8-47.5173.1178.961.6-164.7-137.112.7111.6L1103 S1104 Q1105 E1109 L1110 D1111 L1144 I1145 E1148L1103-R1107 PolarHBondContact O-N 3.28Å; L1103-R1107 VanDerWaalsContact O-N 3.07Å; S1104-R1107 WeakPolarHBondContact O-CB 3.4Å; S1104-R1107 PolarHBondContact O-N 3.08Å; Q1105-R1107 VanDerWaalsContact C-N 3.28Å; Q1105-R1107 PolarHBondContact O-N 3.13Å; R1107-E1109 VanDerWaalsContact C-N 3.31Å; R1107-E1109 PolarHBondContact O-N 3.2Å; R1107-L1110 WeakPolarHBondContact O-CB 3.34Å; R1107-L1110 PolarHBondContact O-N 3.18Å; R1107-L1110 VanDerWaalsContact O-N 3.13Å; R1107-D1111 WeakPolarHBondContact CG-OD2 3.42Å; R1107-D1111 IonicContact CZ-OD1 3.57Å; R1107-D1111 VanDerWaalsContact CZ-OD1 3.32Å; R1107-D1111 IonicContact CZ-OD2 3.32Å; R1107-D1111 IonicContact NE-OD1 3.24Å; R1107-D1111 PolarHBondContact NE-OD1 3.28Å; R1107-D1111 VanDerWaalsContact NE-OD1 3.1Å; R1107-D1111 IonicContact NE-OD2 3.28Å; R1107-D1111 PolarHBondContact NE-OD2 3.09Å; R1107-D1111 IonicContact NH2-OD1 3.16Å; R1107-D1111 PolarHBondContact NH2-OD1 3.15Å; R1107-D1111 IonicContact NH2-OD2 3.17Å; R1107-D1111 PolarHBondContact O-N 3.2Å; R1107-L1144 HydrophobicContact CB-CD2 3.94Å; R1107-L1144 VanDerWaalsContact CD-CD2 3.48Å; R1107-L1144 HydrophobicContact CG-CD2 4.33Å; R1107-I1145 VanDerWaalsContact NH1-CG1 3.31Å; R1107-E1148 WeakPolarHBondContact CD-OE2 3.38Å; R1107-E1148 VanDerWaalsContact CG-OE2 3.32Å; R1107-E1148 WeakPolarHBondContact CG-OE2 3.48Å; R1107-E1148 IonicContact CZ-OE2 3.16Å; R1107-E1148 IonicContact NE-OE2 3.12Å; R1107-E1148 IonicContact NH1-OE2 3.21Å; R1107-E1148 PolarHBondContact NH1-OE2 3.24Å
1108S81Confident80.4Confident65.8 Ų65.860 Ų6046%0.4630%0.301SS..Hα-helixtrans-57.5-45.4177.6-1670000112.1S1104 Q1105 L1110 D1111 E1112S1104-S1108 PolarHBondContact O-N 3.11Å; Q1105-S1108 WeakPolarHBondContact O-CB 3.36Å; Q1105-S1108 PolarHBondContact O-N 3.22Å; S1108-L1110 VanDerWaalsContact C-N 3.31Å; S1108-L1110 PolarHBondContact O-N 3.12Å; S1108-D1111 PolarHBondContact O-N 3.26Å; S1108-E1112 WeakPolarHBondContact O-CG 3.16Å; S1108-E1112 PolarHBondContact O-N 3.12Å; S1108-E1112 VanDerWaalsContact O-N 3.11Å
1109E83.2Confident80.7Confident51.2 Ų51.258.1 Ų58.124%0.23929%0.292CS..Hα-helixtrans-63-35.7177.7-68.5176-175.300112.3F1074 Q1105 R1106 R1107 E1112 F1113F1074-E1109 HydrophobicContact CD2-CB 4.27Å; F1074-E1109 WeakPolarHBondContact CD2-OE2 3.3Å; F1074-E1109 HydrophobicContact CE2-CB 3.59Å; F1074-E1109 VanDerWaalsContact CE2-OE2 3.29Å; F1074-E1109 WeakPolarHBondContact CE2-OE2 3.32Å; F1074-E1109 HydrophobicContact CZ-CB 4.27Å; Q1105-E1109 PolarHBondContact NE2-OE1 3.47Å; Q1105-E1109 WeakPolarHBondContact O-CG 3.36Å; Q1105-E1109 PolarHBondContact O-N 3.14Å; R1106-E1109 WeakPolarHBondContact CD-OE2 3.35Å; R1106-E1109 IonicContact CZ-OE1 3.15Å; R1106-E1109 IonicContact CZ-OE2 3.05Å; R1106-E1109 IonicContact NH1-OE1 3.66Å; R1106-E1109 PolarHBondContact NH1-OE1 3.33Å; R1106-E1109 IonicContact NH1-OE2 3.34Å; R1106-E1109 PolarHBondContact NH1-OE2 3.29Å; R1107-E1109 VanDerWaalsContact C-N 3.31Å; R1107-E1109 PolarHBondContact O-N 3.2Å; E1109-E1112 PolarHBondContact O-N 3.13Å; E1109-F1113 HydrophobicContact CB-CE2 4.45Å; E1109-F1113 VanDerWaalsContact O-CD2 3.23Å; E1109-F1113 WeakPolarHBondContact O-CD2 3.38Å; E1109-F1113 WeakPolarHBondContact O-CE2 3.41Å; E1109-F1113 WeakPolarHBondContact O-CG 3.46Å; E1109-F1113 PolarHBondContact O-N 3.41Å
1110L84.3Confident80.9Confident0.2 Ų0.256.3 Ų56.30%0.00128%0.282CS..Hα-helixtrans-70.2-41.7176.9173.670.5000112F1074 R1106 R1107 S1108 E1112 F1113 L1114 L1137 V1140 K1141 L1144F1074-L1110 HydrophobicContact CD1-CD1 4.42Å; F1074-L1110 HydrophobicContact CE1-CB 3.9Å; F1074-L1110 HydrophobicContact CE1-CD1 3.83Å; F1074-L1110 HydrophobicContact CE1-CG 4.42Å; F1074-L1110 HydrophobicContact CZ-CB 3.85Å; R1106-L1110 WeakPolarHBondContact O-CB 3.43Å; R1106-L1110 PolarHBondContact O-N 3.22Å; R1106-L1110 VanDerWaalsContact O-N 3.14Å; R1107-L1110 WeakPolarHBondContact O-CB 3.34Å; R1107-L1110 PolarHBondContact O-N 3.18Å; R1107-L1110 VanDerWaalsContact O-N 3.13Å; S1108-L1110 VanDerWaalsContact C-N 3.31Å; S1108-L1110 PolarHBondContact O-N 3.12Å; L1110-E1112 VanDerWaalsContact C-N 3.3Å; L1110-E1112 PolarHBondContact O-N 2.98Å; L1110-F1113 PolarHBondContact O-N 3.08Å; L1110-F1113 VanDerWaalsContact O-N 3.15Å; L1110-L1114 HydrophobicContact CD1-CD1 4.38Å; L1110-L1114 HydrophobicContact CD1-CG 4.35Å; L1110-L1114 HydrophobicContact CD2-CD1 4.3Å; L1110-L1114 HydrophobicContact CG-CD1 4.01Å; L1110-L1114 HydrophobicContact CG-CG 4.35Å; L1110-L1114 WeakPolarHBondContact O-CG 3.4Å; L1110-L1114 PolarHBondContact O-N 3.24Å; L1110-L1137 HydrophobicContact CD1-CD1 3.95Å; L1110-V1140 HydrophobicContact CD1-CG1 4.37Å; L1110-K1141 HydrophobicContact CD1-CB 4.28Å; L1110-K1141 HydrophobicContact CD2-CB 4.11Å; L1110-K1141 HydrophobicContact CD2-CG 4.31Å; L1110-L1144 HydrophobicContact CB-CD1 4.38Å; L1110-L1144 HydrophobicContact CB-CD2 4.3Å; L1110-L1144 HydrophobicContact CD2-CB 4.23Å; L1110-L1144 HydrophobicContact CD2-CD1 4.23Å; L1110-L1144 HydrophobicContact CD2-CD2 4.01Å; L1110-L1144 HydrophobicContact CD2-CG 4.42Å
1111D82.9Confident81.2Confident51.6 Ų51.659.8 Ų59.828%0.27630%0.295SS..Hα-helixtrans-64-37.7-179.2-70.6-32.9000110.7R1107 S1108 F1113 L1114 D1115R1107-D1111 WeakPolarHBondContact CG-OD2 3.42Å; R1107-D1111 IonicContact CZ-OD1 3.57Å; R1107-D1111 VanDerWaalsContact CZ-OD1 3.32Å; R1107-D1111 IonicContact CZ-OD2 3.32Å; R1107-D1111 IonicContact NE-OD1 3.24Å; R1107-D1111 PolarHBondContact NE-OD1 3.28Å; R1107-D1111 VanDerWaalsContact NE-OD1 3.1Å; R1107-D1111 IonicContact NE-OD2 3.28Å; R1107-D1111 PolarHBondContact NE-OD2 3.09Å; R1107-D1111 IonicContact NH2-OD1 3.16Å; R1107-D1111 PolarHBondContact NH2-OD1 3.15Å; R1107-D1111 IonicContact NH2-OD2 3.17Å; R1107-D1111 PolarHBondContact O-N 3.2Å; S1108-D1111 PolarHBondContact O-N 3.26Å; D1111-F1113 VanDerWaalsContact C-N 3.31Å; D1111-F1113 PolarHBondContact O-N 3.32Å; D1111-L1114 PolarHBondContact O-N 3.23Å; D1111-L1114 VanDerWaalsContact O-N 3.11Å; D1111-D1115 WeakPolarHBondContact O-CB 3.34Å; D1111-D1115 VanDerWaalsContact O-CG 3.3Å; D1111-D1115 PolarHBondContact O-N 3.07Å
1112E84.9Confident81.1Confident124.8 Ų124.858.8 Ų58.858%0.58329%0.289SS*.Hα-helixtrans-57.3-41.9172.4-71.7176.8-17400112.7S1108 E1109 L1110 L1114 D1115 E1116S1108-E1112 WeakPolarHBondContact O-CG 3.16Å; S1108-E1112 PolarHBondContact O-N 3.12Å; S1108-E1112 VanDerWaalsContact O-N 3.11Å; E1109-E1112 PolarHBondContact O-N 3.13Å; L1110-E1112 VanDerWaalsContact C-N 3.3Å; L1110-E1112 PolarHBondContact O-N 2.98Å; E1112-L1114 VanDerWaalsContact C-N 3.34Å; E1112-D1115 PolarHBondContact O-N 3.46Å; E1112-E1116 WeakPolarHBondContact O-CB 3.47Å; E1112-E1116 PolarHBondContact O-N 3.12Å
1113F84.6Confident80.8Confident37.4 Ų37.457.2 Ų57.216%0.16428%0.28CS..Hα-helixtrans-71-34.1176.4-69.9-59.7000112.8H1067 A1070 V1071 F1074 E1109 L1110 D1111 A1117 L1137H1067-F1113 AromaticContact CE1-CD1 3.83Å; H1067-F1113 PolarHBondContact CE1-O 3.17Å; H1067-F1113 VanDerWaalsContact CE1-O 3.22Å; H1067-F1113 PolarHBondContact NE2-O 2.99Å; A1070-F1113 HydrophobicContact CB-CD1 4.34Å; A1070-F1113 HydrophobicContact CB-CE1 3.58Å; A1070-F1113 VanDerWaalsContact CB-CE1 3.45Å; A1070-F1113 HydrophobicContact CB-CZ 4.25Å; V1071-F1113 HydrophobicContact CG2-CB 4.38Å; V1071-F1113 HydrophobicContact CG2-CD1 4.23Å; V1071-F1113 HydrophobicContact CG2-CG 4.31Å; F1074-F1113 HydrophobicContact CB-CD2 4.07Å; F1074-F1113 HydrophobicContact CB-CE2 3.55Å; F1074-F1113 VanDerWaalsContact CB-CE2 3.49Å; F1074-F1113 HydrophobicContact CB-CZ 4.17Å; F1074-F1113 AromaticContact CD1-CD2 3.99Å; F1074-F1113 HydrophobicContact CD1-CD2 4.13Å; F1074-F1113 HydrophobicContact CD1-CE2 4.26Å; F1074-F1113 HydrophobicContact CD2-CD2 4.27Å; F1074-F1113 AromaticContact CD2-CE2 3.77Å; F1074-F1113 HydrophobicContact CD2-CE2 3.77Å; F1074-F1113 HydrophobicContact CE2-CE2 4.43Å; F1074-F1113 AromaticContact CG-CD2 3.85Å; F1074-F1113 HydrophobicContact CG-CD2 3.89Å; F1074-F1113 AromaticContact CG-CE2 3.62Å; F1074-F1113 HydrophobicContact CG-CE2 3.62Å; F1074-F1113 VanDerWaalsContact CG-CE2 3.49Å; F1074-F1113 HydrophobicContact CG-CZ 4.47Å; E1109-F1113 HydrophobicContact CB-CE2 4.45Å; E1109-F1113 VanDerWaalsContact O-CD2 3.23Å; E1109-F1113 WeakPolarHBondContact O-CD2 3.38Å; E1109-F1113 WeakPolarHBondContact O-CE2 3.41Å; E1109-F1113 WeakPolarHBondContact O-CG 3.46Å; E1109-F1113 PolarHBondContact O-N 3.41Å; L1110-F1113 PolarHBondContact O-N 3.08Å; L1110-F1113 VanDerWaalsContact O-N 3.15Å; D1111-F1113 VanDerWaalsContact C-N 3.31Å; D1111-F1113 PolarHBondContact O-N 3.32Å; F1113-A1117 VanDerWaalsContact O-CB 3.27Å; F1113-A1117 WeakPolarHBondContact O-CB 3.36Å; F1113-A1117 PolarHBondContact O-N 3.12Å; F1113-A1117 VanDerWaalsContact O-N 3.13Å; F1113-L1137 HydrophobicContact CB-CD1 3.82Å; F1113-L1137 HydrophobicContact CB-CD2 4.33Å
1114L83.3Confident80.4Confident29.4 Ų29.456.8 Ų56.815%0.15428%0.278CS..Hα-helixtrans-68.4-41.2176.5-73168.2000111.5L1110 D1111 E1112 A1117 E1118 L1137 K1141L1110-L1114 HydrophobicContact CD1-CD1 4.38Å; L1110-L1114 HydrophobicContact CD1-CG 4.35Å; L1110-L1114 HydrophobicContact CD2-CD1 4.3Å; L1110-L1114 HydrophobicContact CG-CD1 4.01Å; L1110-L1114 HydrophobicContact CG-CG 4.35Å; L1110-L1114 WeakPolarHBondContact O-CG 3.4Å; L1110-L1114 PolarHBondContact O-N 3.24Å; D1111-L1114 PolarHBondContact O-N 3.23Å; D1111-L1114 VanDerWaalsContact O-N 3.11Å; E1112-L1114 VanDerWaalsContact C-N 3.34Å; L1114-A1117 WeakPolarHBondContact O-CB 3.38Å; L1114-A1117 PolarHBondContact O-N 3.17Å; L1114-E1118 WeakPolarHBondContact O-CB 3.38Å; L1114-E1118 PolarHBondContact O-N 3.16Å; L1114-L1137 HydrophobicContact CD2-CD1 4.35Å; L1114-L1137 HydrophobicContact CD2-CD2 3.71Å; L1114-L1137 HydrophobicContact CD2-CG 3.81Å; L1114-L1137 HydrophobicContact CG-CD2 4.23Å; L1114-L1137 HydrophobicContact CG-CG 4.37Å; L1114-K1141 HydrophobicContact CD1-CB 4.49Å; L1114-K1141 HydrophobicContact CD1-CD 4.04Å; L1114-K1141 HydrophobicContact CD1-CG 4.31Å; L1114-K1141 HydrophobicContact CD2-CB 4.36Å; L1114-K1141 HydrophobicContact CD2-CD 4.11Å; L1114-K1141 HydrophobicContact CD2-CG 4.29Å
1115D80.8Confident80.2Confident108.8 Ų108.859.8 Ų59.858%0.58229%0.286SS*.Hα-helixtrans-63.8-46.5178.2-73.3-15.8000111D1111 E1112 A1117 E1118 Q1119D1111-D1115 WeakPolarHBondContact O-CB 3.34Å; D1111-D1115 VanDerWaalsContact O-CG 3.3Å; D1111-D1115 PolarHBondContact O-N 3.07Å; E1112-D1115 PolarHBondContact O-N 3.46Å; D1115-A1117 VanDerWaalsContact C-N 3.32Å; D1115-A1117 PolarHBondContact O-N 3.14Å; D1115-E1118 PolarHBondContact O-N 3Å; D1115-Q1119 WeakPolarHBondContact O-CB 3.23Å; D1115-Q1119 VanDerWaalsContact O-CG 3.29Å; D1115-Q1119 WeakPolarHBondContact O-CG 3.39Å; D1115-Q1119 PolarHBondContact O-N 3.27Å; D1115-Q1119 VanDerWaalsContact O-N 3.12Å
1116E81.6Confident79.4Confident87 Ų8756.9 Ų56.941%0.40727%0.274SS..Hα-helixtrans-63.7-37.4177.3-135.7-175.7-171.700112.4H1067 E1112 E1118 Q1119 L1120H1067-E1116 HydrophobicContact CB-CG 4.39Å; H1067-E1116 VanDerWaalsContact CE1-CB 3.42Å; H1067-E1116 WeakPolarHBondContact CE1-CB 3.46Å; H1067-E1116 IonicContact CE1-OE2 3.42Å; H1067-E1116 PolarHBondContact CE1-OE2 2.72Å; H1067-E1116 IonicContact CG-OE2 3.24Å; H1067-E1116 WeakPolarHBondContact ND1-CB 3.32Å; H1067-E1116 VanDerWaalsContact ND1-CD 3.26Å; H1067-E1116 WeakPolarHBondContact ND1-CG 3.27Å; H1067-E1116 IonicContact ND1-OE2 3.46Å; H1067-E1116 PolarHBondContact ND1-OE2 3.18Å; E1112-E1116 WeakPolarHBondContact O-CB 3.47Å; E1112-E1116 PolarHBondContact O-N 3.12Å; E1116-E1118 VanDerWaalsContact C-N 3.34Å; E1116-E1118 PolarHBondContact O-N 2.89Å; E1116-Q1119 PolarHBondContact O-N 3.3Å; E1116-L1120 HydrophobicContact CG-CD1 4.17Å; E1116-L1120 HydrophobicContact CG-CG 4.48Å; E1116-L1120 WeakPolarHBondContact O-CB 3.34Å; E1116-L1120 VanDerWaalsContact O-CG 3.29Å; E1116-L1120 WeakPolarHBondContact O-CG 3.37Å; E1116-L1120 PolarHBondContact O-N 3.12Å; E1116-L1120 VanDerWaalsContact O-N 3.09Å
1117A82.7Confident78.6Confident4.4 Ų4.455.9 Ų55.94%0.03627%0.273CS..Hα-helixtrans-64.8-40.5176.400000112.4H1067 F1113 L1114 D1115 L1120 R1121 F1134 L1137H1067-A1117 PolarHBondContact CE1-N 2.99Å; H1067-A1117 VanDerWaalsContact NE2-CB 3.32Å; H1067-A1117 WeakPolarHBondContact NE2-CB 3.32Å; F1113-A1117 VanDerWaalsContact O-CB 3.27Å; F1113-A1117 WeakPolarHBondContact O-CB 3.36Å; F1113-A1117 PolarHBondContact O-N 3.12Å; F1113-A1117 VanDerWaalsContact O-N 3.13Å; L1114-A1117 WeakPolarHBondContact O-CB 3.38Å; L1114-A1117 PolarHBondContact O-N 3.17Å; D1115-A1117 VanDerWaalsContact C-N 3.32Å; D1115-A1117 PolarHBondContact O-N 3.14Å; A1117-L1120 PolarHBondContact O-N 3.42Å; A1117-R1121 WeakPolarHBondContact O-CG 3.41Å; A1117-R1121 PolarHBondContact O-N 3.13Å; A1117-R1121 VanDerWaalsContact O-N 3.14Å; A1117-F1134 HydrophobicContact CB-CD2 3.88Å; A1117-F1134 HydrophobicContact CB-CE2 4.05Å; A1117-F1134 HydrophobicContact CB-CG 4.35Å; A1117-F1134 HydrophobicContact CB-CZ 4.44Å; A1117-F1134 WeakPolarHBondContact O-CE2 3.47Å; A1117-L1137 HydrophobicContact CB-CD2 3.82Å; A1117-L1137 VanDerWaalsContact CB-CD2 3.43Å
1118E79.7Confident77.9Confident95.6 Ų95.656.4 Ų56.445%0.44730%0.296SS..Hα-helixtrans-71.8-41.6179.8-168.361.9-167.600111.3L1114 D1115 E1116 L1120 R1121 I1122L1114-E1118 WeakPolarHBondContact O-CB 3.38Å; L1114-E1118 PolarHBondContact O-N 3.16Å; D1115-E1118 PolarHBondContact O-N 3Å; E1116-E1118 VanDerWaalsContact C-N 3.34Å; E1116-E1118 PolarHBondContact O-N 2.89Å; E1118-L1120 VanDerWaalsContact C-N 3.29Å; E1118-L1120 PolarHBondContact O-N 3.07Å; E1118-R1121 WeakPolarHBondContact O-CA 3.4Å; E1118-R1121 WeakPolarHBondContact O-CB 3.32Å; E1118-R1121 PolarHBondContact O-N 3.17Å; E1118-R1121 IonicContact OE2-NH1 3.59Å; E1118-I1122 HydrophobicContact CG-CD1 4.07Å; E1118-I1122 HydrophobicContact CG-CG1 4.36Å; E1118-I1122 VanDerWaalsContact O-CG1 3.28Å; E1118-I1122 WeakPolarHBondContact O-CG1 3.38Å; E1118-I1122 PolarHBondContact O-N 2.98Å
1119Q78.9Confident77.2Confident95.8 Ų95.856.9 Ų56.945%0.44829%0.293SS..Hα-helixtrans-55.7-42.9173-72-66.9-38.100111.8D1115 E1116 R1121 I1122 E1123D1115-Q1119 WeakPolarHBondContact O-CB 3.23Å; D1115-Q1119 VanDerWaalsContact O-CG 3.29Å; D1115-Q1119 WeakPolarHBondContact O-CG 3.39Å; D1115-Q1119 PolarHBondContact O-N 3.27Å; D1115-Q1119 VanDerWaalsContact O-N 3.12Å; E1116-Q1119 PolarHBondContact O-N 3.3Å; Q1119-R1121 VanDerWaalsContact C-N 3.3Å; Q1119-R1121 PolarHBondContact O-N 2.99Å; Q1119-I1122 PolarHBondContact O-N 3.04Å; Q1119-E1123 VanDerWaalsContact O-CB 3.31Å; Q1119-E1123 WeakPolarHBondContact O-CB 3.41Å; Q1119-E1123 WeakPolarHBondContact O-CG 3.49Å; Q1119-E1123 PolarHBondContact O-N 3.37Å; Q1119-E1123 VanDerWaalsContact O-N 3.11Å
1120L79.6Confident76.5Confident3.4 Ų3.462 Ų622%0.01832%0.322CS..Hα-helixtrans-68.6-26.6176.8-69.5171000113.4F1060 R1063 I1064 H1067 E1116 A1117 E1118 A1124 P1132 F1134F1060-L1120 HydrophobicContact CD2-CD2 4.35Å; F1060-L1120 HydrophobicContact CE2-CD2 4.06Å; F1060-L1120 WeakPolarHBondContact CE2-O 3.31Å; F1060-L1120 VanDerWaalsContact CZ-O 3.28Å; F1060-L1120 WeakPolarHBondContact CZ-O 3.41Å; R1063-L1120 HydrophobicContact CB-CD2 3.71Å; R1063-L1120 VanDerWaalsContact CB-CD2 3.45Å; I1064-L1120 HydrophobicContact CG1-CD1 4.38Å; I1064-L1120 HydrophobicContact CG1-CD2 4.28Å; H1067-L1120 HydrophobicContact CB-CD1 3.6Å; H1067-L1120 VanDerWaalsContact CB-CD1 3.41Å; E1116-L1120 HydrophobicContact CG-CD1 4.17Å; E1116-L1120 HydrophobicContact CG-CG 4.48Å; E1116-L1120 WeakPolarHBondContact O-CB 3.34Å; E1116-L1120 VanDerWaalsContact O-CG 3.29Å; E1116-L1120 WeakPolarHBondContact O-CG 3.37Å; E1116-L1120 PolarHBondContact O-N 3.12Å; E1116-L1120 VanDerWaalsContact O-N 3.09Å; A1117-L1120 PolarHBondContact O-N 3.42Å; E1118-L1120 VanDerWaalsContact C-N 3.29Å; E1118-L1120 PolarHBondContact O-N 3.07Å; L1120-A1124 WeakPolarHBondContact O-CB 3.43Å; L1120-A1124 PolarHBondContact O-N 3.05Å; L1120-A1124 VanDerWaalsContact O-N 3.09Å; L1120-P1132 HydrophobicContact CB-CG 4.49Å; L1120-F1134 HydrophobicContact CB-CE2 4.29Å; L1120-F1134 HydrophobicContact CB-CZ 4.24Å; L1120-F1134 HydrophobicContact CD1-CZ 4.12Å
1121R80.9Confident75.9Confident75.6 Ų75.668.1 Ų68.129%0.28535%0.349SS..Hα-helixtrans-77-40.3174.5-76.1177.7165.3155.90.4112.2A1117 E1118 Q1119 A1124 E1125 K1131 P1132 F1134 E1138A1117-R1121 WeakPolarHBondContact O-CG 3.41Å; A1117-R1121 PolarHBondContact O-N 3.13Å; A1117-R1121 VanDerWaalsContact O-N 3.14Å; E1118-R1121 WeakPolarHBondContact O-CA 3.4Å; E1118-R1121 WeakPolarHBondContact O-CB 3.32Å; E1118-R1121 PolarHBondContact O-N 3.17Å; E1118-R1121 IonicContact OE2-NH1 3.59Å; Q1119-R1121 VanDerWaalsContact C-N 3.3Å; Q1119-R1121 PolarHBondContact O-N 2.99Å; R1121-A1124 WeakPolarHBondContact O-CB 3.33Å; R1121-A1124 PolarHBondContact O-N 3.12Å; R1121-E1125 PolarHBondContact O-N 3.1Å; R1121-E1125 VanDerWaalsContact O-N 3.12Å; R1121-K1131 HydrophobicContact CG-CB 4.49Å; R1121-P1132 HydrophobicContact CG-CG 4.3Å; R1121-F1134 HydrophobicContact CG-CD2 4.25Å; R1121-F1134 HydrophobicContact CG-CE2 4.31Å; R1121-E1138 IonicContact NH1-OE1 3.78Å; R1121-E1138 PolarHBondContact NH1-OE1 3.04Å
1122I74Confident75.4Confident59.6 Ų59.666.4 Ų66.431%0.30634%0.34SS..Hα-helixtrans-64.8-48.4177.7-64.7167.1000109.7E984 E1118 Q1119 A1124 E1125 D1126E984-I1122 HydrophobicContact CB-CG2 4.47Å; E984-I1122 HydrophobicContact CG-CG2 3.88Å; E984-I1122 VanDerWaalsContact OE1-C 3.32Å; E984-I1122 WeakPolarHBondContact OE1-CB 3.24Å; E984-I1122 WeakPolarHBondContact OE1-CG2 3.4Å; E1118-I1122 HydrophobicContact CG-CD1 4.07Å; E1118-I1122 HydrophobicContact CG-CG1 4.36Å; E1118-I1122 VanDerWaalsContact O-CG1 3.28Å; E1118-I1122 WeakPolarHBondContact O-CG1 3.38Å; E1118-I1122 PolarHBondContact O-N 2.98Å; Q1119-I1122 PolarHBondContact O-N 3.04Å; I1122-A1124 VanDerWaalsContact C-N 3.26Å; I1122-A1124 PolarHBondContact O-N 3.26Å; I1122-E1125 WeakPolarHBondContact O-CA 3.23Å; I1122-E1125 WeakPolarHBondContact O-CB 3.34Å; I1122-E1125 PolarHBondContact O-N 3.25Å; I1122-E1125 VanDerWaalsContact O-N 3.12Å; I1122-D1126 VanDerWaalsContact CG2-OD2 3.26Å; I1122-D1126 WeakPolarHBondContact CG2-OD2 3.37Å; I1122-D1126 WeakPolarHBondContact O-CB 3.47Å; I1122-D1126 PolarHBondContact O-N 3.17Å
1123E71.2Confident74.8Confident38.6 Ų38.665.5 Ų65.518%0.1834%0.339CS..Hα-helixtrans-63.3-29.5179-109.6179.1-160.900112.7E984 F1060 R1063 Q1119 E1125 L1127E984-E1123 HydrophobicContact CG-CG 3.96Å; E984-E1123 VanDerWaalsContact OE1-CG 3.3Å; E984-E1123 WeakPolarHBondContact OE1-CG 3.47Å; E984-E1123 PolarHBondContact OE1-N 3.49Å; F1060-E1123 HydrophobicContact CD2-CB 3.75Å; F1060-E1123 VanDerWaalsContact CD2-CB 3.42Å; F1060-E1123 HydrophobicContact CD2-CG 4.01Å; F1060-E1123 WeakPolarHBondContact CD2-OE2 3.27Å; F1060-E1123 HydrophobicContact CE2-CB 3.5Å; F1060-E1123 HydrophobicContact CE2-CG 3.89Å; F1060-E1123 HydrophobicContact CZ-CB 4.44Å; R1063-E1123 IonicContact CZ-OE1 3.53Å; R1063-E1123 VanDerWaalsContact CZ-OE1 3.24Å; R1063-E1123 IonicContact CZ-OE2 3.18Å; R1063-E1123 IonicContact NE-OE2 3.61Å; R1063-E1123 VanDerWaalsContact NH1-CD 3.28Å; R1063-E1123 IonicContact NH1-OE1 3.33Å; R1063-E1123 PolarHBondContact NH1-OE1 3.09Å; R1063-E1123 IonicContact NH1-OE2 3.11Å; R1063-E1123 PolarHBondContact NH1-OE2 3.12Å; R1063-E1123 IonicContact NH2-OE1 3.75Å; R1063-E1123 PolarHBondContact NH2-OE1 2.79Å; R1063-E1123 IonicContact NH2-OE2 3.41Å; Q1119-E1123 VanDerWaalsContact O-CB 3.31Å; Q1119-E1123 WeakPolarHBondContact O-CB 3.41Å; Q1119-E1123 WeakPolarHBondContact O-CG 3.49Å; Q1119-E1123 PolarHBondContact O-N 3.37Å; Q1119-E1123 VanDerWaalsContact O-N 3.11Å; E1123-E1125 VanDerWaalsContact C-N 3.34Å; E1123-L1127 HydrophobicContact CG-CD1 4.27Å; E1123-L1127 VanDerWaalsContact O-CB 3.3Å; E1123-L1127 WeakPolarHBondContact O-CB 3.36Å; E1123-L1127 WeakPolarHBondContact O-CD1 3.32Å; E1123-L1127 VanDerWaalsContact O-CG 3.29Å; E1123-L1127 WeakPolarHBondContact O-CG 3.43Å; E1123-L1127 PolarHBondContact O-N 3.18Å; E1123-L1127 VanDerWaalsContact O-N 3.15Å
1124A72.6Confident74.5Confident0 Ų064.5 Ų64.50%034%0.335CS..Hα-helixtrans-65.1-46.2171.500000111.6F1060 L1120 R1121 I1122 D1126 L1127 G1128 L1129F1060-A1124 HydrophobicContact CE1-CB 3.81Å; F1060-A1124 HydrophobicContact CE2-CB 4.14Å; F1060-A1124 VanDerWaalsContact CE2-N 3.33Å; F1060-A1124 VanDerWaalsContact CZ-CA 3.46Å; F1060-A1124 HydrophobicContact CZ-CB 3.44Å; F1060-A1124 VanDerWaalsContact CZ-N 3.28Å; L1120-A1124 WeakPolarHBondContact O-CB 3.43Å; L1120-A1124 PolarHBondContact O-N 3.05Å; L1120-A1124 VanDerWaalsContact O-N 3.09Å; R1121-A1124 WeakPolarHBondContact O-CB 3.33Å; R1121-A1124 PolarHBondContact O-N 3.12Å; I1122-A1124 VanDerWaalsContact C-N 3.26Å; I1122-A1124 PolarHBondContact O-N 3.26Å; A1124-D1126 VanDerWaalsContact C-N 3.32Å; A1124-D1126 PolarHBondContact O-N 3.08Å; A1124-L1127 CarbonylContact O-C 3.59Å; A1124-L1127 PolarHBondContact O-N 3.06Å; A1124-G1128 PolarHBondContact O-N 3.37Å; A1124-G1128 VanDerWaalsContact O-N 3.11Å; A1124-L1129 CarbonylContact C-O 3.56Å; A1124-L1129 HydrophobicContact CB-CB 4.39Å; A1124-L1129 WeakPolarHBondContact O-CA 3.44Å; A1124-L1129 PolarHBondContact O-N 3.08Å
1125E71.2Confident74.2Confident110.8 Ų110.866.5 Ų66.552%0.51835%0.352SS..Hα-helixtrans-68-35.1-178.6-173.4160.9-175.500111.6K987 R1121 I1122 E1123 L1127 G1128 K1131K987-E1125 PolarHBondContact NZ-O 3.01Å; K987-E1125 IonicContact NZ-OE1 3.47Å; R1121-E1125 PolarHBondContact O-N 3.1Å; R1121-E1125 VanDerWaalsContact O-N 3.12Å; I1122-E1125 WeakPolarHBondContact O-CA 3.23Å; I1122-E1125 WeakPolarHBondContact O-CB 3.34Å; I1122-E1125 PolarHBondContact O-N 3.25Å; I1122-E1125 VanDerWaalsContact O-N 3.12Å; E1123-E1125 VanDerWaalsContact C-N 3.34Å; E1125-L1127 VanDerWaalsContact C-N 3.34Å; E1125-L1127 PolarHBondContact O-N 3.18Å; E1125-G1128 PolarHBondContact O-N 3.12Å; E1125-G1128 VanDerWaalsContact O-N 3.12Å; E1125-K1131 IonicContact OE1-NZ 2.99Å; E1125-K1131 WeakPolarHBondContact OE2-CE 3.36Å; E1125-K1131 IonicContact OE2-NZ 3.73Å; E1125-K1131 PolarHBondContact OE2-NZ 3.03Å
1126D65.9Low73.9Confident47.6 Ų47.665.6 Ų65.626%0.25535%0.347SS..Hα-helixtrans-75.3-26.5178.6-73.7-29000113.8A983 E984 K987 I1122 A1124 G1128A983-D1126 HydrophobicContact CB-CB 4.01Å; E984-D1126 VanDerWaalsContact CA-CB 3.49Å; E984-D1126 WeakPolarHBondContact CA-OD2 3.18Å; E984-D1126 HydrophobicContact CB-CB 4.19Å; E984-D1126 WeakPolarHBondContact CB-OD2 3.33Å; E984-D1126 HydrophobicContact CG-CB 3.95Å; E984-D1126 WeakPolarHBondContact CG-OD2 3.13Å; K987-D1126 HydrophobicContact CB-CB 4.42Å; K987-D1126 HydrophobicContact CD-CB 4.26Å; K987-D1126 WeakPolarHBondContact CD-OD1 3.36Å; K987-D1126 WeakPolarHBondContact CE-OD1 3.38Å; K987-D1126 IonicContact NZ-OD1 3.23Å; K987-D1126 PolarHBondContact NZ-OD1 3.1Å; I1122-D1126 VanDerWaalsContact CG2-OD2 3.26Å; I1122-D1126 WeakPolarHBondContact CG2-OD2 3.37Å; I1122-D1126 WeakPolarHBondContact O-CB 3.47Å; I1122-D1126 PolarHBondContact O-N 3.17Å; A1124-D1126 VanDerWaalsContact C-N 3.32Å; A1124-D1126 PolarHBondContact O-N 3.08Å; D1126-G1128 VanDerWaalsContact C-N 3.29Å
1127L65.9Low73.8Confident27.4 Ų27.461.7 Ų61.714%0.14333%0.329CS..THydrogen-bonded Turntrans-88.8-4.7174-69.8170.5000113.7A983 L1056 K1057 F1060 E1123 A1124 E1125 L1129A983-L1127 HydrophobicContact CB-CB 4.45Å; A983-L1127 HydrophobicContact CB-CD1 4.27Å; A983-L1127 HydrophobicContact CB-CD2 3.72Å; A983-L1127 HydrophobicContact CB-CG 3.86Å; L1056-L1127 VanDerWaalsContact C-CD2 3.46Å; L1056-L1127 HydrophobicContact CB-CD2 3.99Å; K1057-L1127 HydrophobicContact CB-CD2 4.41Å; K1057-L1127 WeakPolarHBondContact CE-O 3.42Å; K1057-L1127 HydrophobicContact CG-CD2 4.05Å; F1060-L1127 HydrophobicContact CB-CD1 3.52Å; F1060-L1127 HydrophobicContact CD1-CD1 4.03Å; F1060-L1127 HydrophobicContact CD2-CD1 4.13Å; F1060-L1127 HydrophobicContact CG-CD1 3.62Å; E1123-L1127 HydrophobicContact CG-CD1 4.27Å; E1123-L1127 VanDerWaalsContact O-CB 3.3Å; E1123-L1127 WeakPolarHBondContact O-CB 3.36Å; E1123-L1127 WeakPolarHBondContact O-CD1 3.32Å; E1123-L1127 VanDerWaalsContact O-CG 3.29Å; E1123-L1127 WeakPolarHBondContact O-CG 3.43Å; E1123-L1127 PolarHBondContact O-N 3.18Å; E1123-L1127 VanDerWaalsContact O-N 3.15Å; A1124-L1127 CarbonylContact O-C 3.59Å; A1124-L1127 PolarHBondContact O-N 3.06Å; E1125-L1127 VanDerWaalsContact C-N 3.34Å; E1125-L1127 PolarHBondContact O-N 3.18Å; L1127-L1129 VanDerWaalsContact C-N 3.33Å; L1127-L1129 HydrophobicContact CB-CB 4.48Å; L1127-L1129 HydrophobicContact CB-CD1 3.86Å; L1127-L1129 HydrophobicContact CB-CG 4.03Å; L1127-L1129 HydrophobicContact CD1-CD1 4.23Å; L1127-L1129 HydrophobicContact CG-CD1 4.43Å
1128G65.9Low73.7Confident69.8 Ų69.865.4 Ų65.472%0.7235%0.345SS*.THydrogen-bonded Turntrans70.634.3-17600000113.8A1124 E1125 D1126A1124-G1128 PolarHBondContact O-N 3.37Å; A1124-G1128 VanDerWaalsContact O-N 3.11Å; E1125-G1128 PolarHBondContact O-N 3.12Å; E1125-G1128 VanDerWaalsContact O-N 3.12Å; D1126-G1128 VanDerWaalsContact C-N 3.29Å
1129L68.1Low73.7Confident76.4 Ų76.466 Ų6640%0.435%0.348SS..  trans-108.9161.6-179.6-61.2171.4000111.4F1060 A1124 L1127F1060-L1129 HydrophobicContact CD1-CD1 3.43Å; F1060-L1129 VanDerWaalsContact CD1-CD1 3.46Å; F1060-L1129 HydrophobicContact CE1-CB 4.43Å; F1060-L1129 HydrophobicContact CE1-CD1 3.82Å; F1060-L1129 HydrophobicContact CG-CD1 4.35Å; A1124-L1129 CarbonylContact C-O 3.56Å; A1124-L1129 HydrophobicContact CB-CB 4.39Å; A1124-L1129 WeakPolarHBondContact O-CA 3.44Å; A1124-L1129 PolarHBondContact O-N 3.08Å; L1127-L1129 VanDerWaalsContact C-N 3.33Å; L1127-L1129 HydrophobicContact CB-CB 4.48Å; L1127-L1129 HydrophobicContact CB-CD1 3.86Å; L1127-L1129 HydrophobicContact CB-CG 4.03Å; L1127-L1129 HydrophobicContact CD1-CD1 4.23Å; L1127-L1129 HydrophobicContact CG-CD1 4.43Å
1130D68.5Low73.9Confident158 Ų15861.6 Ų61.685%0.84533%0.328SS*.PPolyproline II helixtrans-69.4143178.5-69.3-40.3000112.9
1131K70.7Confident74.1Confident128.6 Ų128.664.6 Ų64.656%0.55934%0.341SS*.PPolyproline II helixtrans-72.1131.8-175.2-65.1-175177.5-166.80112.7R1121 E1125R1121-K1131 HydrophobicContact CG-CB 4.49Å; E1125-K1131 IonicContact OE1-NZ 2.99Å; E1125-K1131 WeakPolarHBondContact OE2-CE 3.36Å; E1125-K1131 IonicContact OE2-NZ 3.73Å; E1125-K1131 PolarHBondContact OE2-NZ 3.03Å
1132P71.7Confident74.2Confident15.4 Ų15.469.1 Ų69.110%0.136%0.358CS..PPolyproline II helixtrans-74.1142.4176.526.6-31.9000114I1064 L1120 R1121 F1134I1064-P1132 HydrophobicContact CD1-CB 4.1Å; I1064-P1132 HydrophobicContact CD1-CG 4.14Å; I1064-P1132 HydrophobicContact CG1-CB 4.22Å; I1064-P1132 HydrophobicContact CG1-CG 4.27Å; I1064-P1132 HydrophobicContact CG2-CB 4.06Å; L1120-P1132 HydrophobicContact CB-CG 4.49Å; R1121-P1132 HydrophobicContact CG-CG 4.3Å; P1132-F1134 HydrophobicContact CB-CE1 4.37Å; P1132-F1134 HydrophobicContact CB-CE2 4.02Å; P1132-F1134 HydrophobicContact CB-CZ 3.9Å; P1132-F1134 HydrophobicContact CG-CE2 3.8Å; P1132-F1134 HydrophobicContact CG-CZ 3.95Å
1133D73.6Confident74.6Confident105.2 Ų105.267 Ų6756%0.56335%0.348SS*.PPolyproline II helixtrans-92.6130.7178-178.613.2000112.9K1068 S1135K1068-D1133 VanDerWaalsContact CE-O 3.24Å; K1068-D1133 WeakPolarHBondContact CE-O 3.41Å; K1068-D1133 PolarHBondContact NZ-O 2.93Å; K1068-D1133 VanDerWaalsContact NZ-O 3.09Å; D1133-S1135 PolarHBondContact OD1-N 3.3Å; D1133-S1135 VanDerWaalsContact OD1-N 3.09Å; D1133-S1135 PolarHBondContact OD1-OG 2.83Å; D1133-S1135 VanDerWaalsContact OD1-OG 3.07Å
1134F78.4Confident75.1Confident16.4 Ų16.465.2 Ų65.27%0.07234%0.34CS..  trans-13440.3-173.9-60-61.3000113.9H1067 K1068 A1117 L1120 R1121 P1132 N1136 L1137H1067-F1134 AromaticContact CD2-CD1 3.86Å; H1067-F1134 AromaticContact CD2-CE1 3.53Å; H1067-F1134 VanDerWaalsContact CD2-CE1 3.49Å; H1067-F1134 WeakPolarHBondContact CD2-CE1 3.29Å; H1067-F1134 AromaticContact CD2-CZ 3.88Å; K1068-F1134 HydrophobicContact CG-CD1 4.1Å; K1068-F1134 HydrophobicContact CG-CE1 3.83Å; A1117-F1134 HydrophobicContact CB-CD2 3.88Å; A1117-F1134 HydrophobicContact CB-CE2 4.05Å; A1117-F1134 HydrophobicContact CB-CG 4.35Å; A1117-F1134 HydrophobicContact CB-CZ 4.44Å; A1117-F1134 WeakPolarHBondContact O-CE2 3.47Å; L1120-F1134 HydrophobicContact CB-CE2 4.29Å; L1120-F1134 HydrophobicContact CB-CZ 4.24Å; L1120-F1134 HydrophobicContact CD1-CZ 4.12Å; R1121-F1134 HydrophobicContact CG-CD2 4.25Å; R1121-F1134 HydrophobicContact CG-CE2 4.31Å; P1132-F1134 HydrophobicContact CB-CE1 4.37Å; P1132-F1134 HydrophobicContact CB-CE2 4.02Å; P1132-F1134 HydrophobicContact CB-CZ 3.9Å; P1132-F1134 HydrophobicContact CG-CE2 3.8Å; P1132-F1134 HydrophobicContact CG-CZ 3.95Å; F1134-N1136 VanDerWaalsContact C-N 3.3Å; F1134-N1136 PolarHBondContact O-N 3.09Å; F1134-N1136 VanDerWaalsContact O-N 3.11Å; F1134-L1137 HydrophobicContact CB-CB 4.35Å; F1134-L1137 VanDerWaalsContact O-CB 3.3Å; F1134-L1137 WeakPolarHBondContact O-CB 3.37Å; F1134-L1137 PolarHBondContact O-N 3.42Å; F1134-L1137 VanDerWaalsContact O-N 3.14Å
1135S76.4Confident75.5Confident72.6 Ų72.668.6 Ų68.651%0.50836%0.357SS..Hα-helixtrans-53.4-34.5-173.3-43.50000116.1D1133 L1137 E1138D1133-S1135 PolarHBondContact OD1-N 3.3Å; D1133-S1135 VanDerWaalsContact OD1-N 3.09Å; D1133-S1135 PolarHBondContact OD1-OG 2.83Å; D1133-S1135 VanDerWaalsContact OD1-OG 3.07Å; S1135-L1137 VanDerWaalsContact C-N 3.31Å; S1135-L1137 PolarHBondContact O-N 3.09Å; S1135-E1138 PolarHBondContact O-N 3.4Å
1136N74.3Confident75.9Confident89.4 Ų89.466.9 Ų66.948%0.47836%0.358SS..Hα-helixtrans-64.7-28.9-179.6-72.6-6.2000114V1071 F1134 E1139 V1140V1071-N1136 HydrophobicContact CG1-CB 4.37Å; F1134-N1136 VanDerWaalsContact C-N 3.3Å; F1134-N1136 PolarHBondContact O-N 3.09Å; F1134-N1136 VanDerWaalsContact O-N 3.11Å; N1136-E1139 PolarHBondContact O-N 3.21Å; N1136-V1140 PolarHBondContact O-N 3.28Å
1137L80.3Confident76.5Confident5 Ų565.2 Ų65.23%0.02635%0.35CS..Hα-helixtrans-70.9-35-178-174.259000111.9V1071 L1110 F1113 L1114 A1117 F1134 S1135 E1139 V1140 K1141V1071-L1137 HydrophobicContact CG1-CB 3.91Å; V1071-L1137 HydrophobicContact CG1-CD1 4.02Å; V1071-L1137 HydrophobicContact CG1-CG 4.45Å; V1071-L1137 HydrophobicContact CG2-CB 4.42Å; V1071-L1137 HydrophobicContact CG2-CD1 4.2Å; V1071-L1137 HydrophobicContact CG2-CD2 4.35Å; V1071-L1137 HydrophobicContact CG2-CG 4.45Å; L1110-L1137 HydrophobicContact CD1-CD1 3.95Å; F1113-L1137 HydrophobicContact CB-CD1 3.82Å; F1113-L1137 HydrophobicContact CB-CD2 4.33Å; L1114-L1137 HydrophobicContact CD2-CD1 4.35Å; L1114-L1137 HydrophobicContact CD2-CD2 3.71Å; L1114-L1137 HydrophobicContact CD2-CG 3.81Å; L1114-L1137 HydrophobicContact CG-CD2 4.23Å; L1114-L1137 HydrophobicContact CG-CG 4.37Å; A1117-L1137 HydrophobicContact CB-CD2 3.82Å; A1117-L1137 VanDerWaalsContact CB-CD2 3.43Å; F1134-L1137 HydrophobicContact CB-CB 4.35Å; F1134-L1137 VanDerWaalsContact O-CB 3.3Å; F1134-L1137 WeakPolarHBondContact O-CB 3.37Å; F1134-L1137 PolarHBondContact O-N 3.42Å; F1134-L1137 VanDerWaalsContact O-N 3.14Å; S1135-L1137 VanDerWaalsContact C-N 3.31Å; S1135-L1137 PolarHBondContact O-N 3.09Å; L1137-E1139 VanDerWaalsContact C-N 3.3Å; L1137-E1139 PolarHBondContact O-N 3.1Å; L1137-V1140 PolarHBondContact O-N 3.24Å; L1137-K1141 VanDerWaalsContact O-CB 3.32Å; L1137-K1141 WeakPolarHBondContact O-CB 3.19Å; L1137-K1141 PolarHBondContact O-N 3.1Å; L1137-K1141 VanDerWaalsContact O-N 3.09Å
1138E79.3Confident77.1Confident81.4 Ų81.465.8 Ų65.838%0.3835%0.352SS..Hα-helixtrans-69.4-28.1-178.9-69.8-80.9162.400113.3R1121 S1135 K1141 R1142R1121-E1138 IonicContact NH1-OE1 3.78Å; R1121-E1138 PolarHBondContact NH1-OE1 3.04Å; S1135-E1138 PolarHBondContact O-N 3.4Å; E1138-K1141 IonicContact OE1-NZ 3.18Å; E1138-K1141 PolarHBondContact OE1-NZ 3.18Å; E1138-K1141 VanDerWaalsContact OE2-CD 3.26Å; E1138-K1141 WeakPolarHBondContact OE2-CD 3.39Å; E1138-K1141 IonicContact OE2-NZ 3.08Å; E1138-K1141 PolarHBondContact OE2-NZ 3.15Å; E1138-R1142 WeakPolarHBondContact O-CG 3.42Å; E1138-R1142 PolarHBondContact O-N 3.31Å; E1138-R1142 PolarHBondContact O-NE 3.31Å; E1138-R1142 VanDerWaalsContact O-NE 3.12Å; E1138-R1142 IonicContact OE2-NH2 2.79Å
1139E80.5Confident77.6Confident109.8 Ų109.865.6 Ų65.651%0.51334%0.343SS..Hα-helixtrans-71.8-45176.6-104.7-174.2169.400112N1136 L1137 K1141 R1142 S1143N1136-E1139 PolarHBondContact O-N 3.21Å; L1137-E1139 VanDerWaalsContact C-N 3.3Å; L1137-E1139 PolarHBondContact O-N 3.1Å; E1139-K1141 VanDerWaalsContact C-N 3.3Å; E1139-K1141 PolarHBondContact O-N 3.12Å; E1139-R1142 PolarHBondContact O-N 3.27Å; E1139-S1143 PolarHBondContact O-N 2.93Å; E1139-S1143 VanDerWaalsContact O-N 3.17Å
1140V83.2Confident78.1Confident2.8 Ų2.863.7 Ų63.72%0.01734%0.335CS..Hα-helixtrans-62.8-42.5178.2-1780000110.7F1074 A1075 W1078 Y1079 L1110 N1136 L1137 R1142 S1143 L1144F1074-V1140 HydrophobicContact CD1-CG1 3.91Å; F1074-V1140 HydrophobicContact CE1-CG1 3.53Å; F1074-V1140 VanDerWaalsContact CE1-CG1 3.5Å; A1075-V1140 HydrophobicContact CB-CG2 3.54Å; A1075-V1140 VanDerWaalsContact CB-CG2 3.43Å; W1078-V1140 HydrophobicContact CB-CG1 4.25Å; W1078-V1140 HydrophobicContact CG-CG1 4.14Å; Y1079-V1140 HydrophobicContact CE2-CG2 4.37Å; L1110-V1140 HydrophobicContact CD1-CG1 4.37Å; N1136-V1140 PolarHBondContact O-N 3.28Å; L1137-V1140 PolarHBondContact O-N 3.24Å; V1140-R1142 PolarHBondContact O-N 3.2Å; V1140-S1143 PolarHBondContact O-N 3.2Å; V1140-S1143 VanDerWaalsContact O-N 3.15Å; V1140-L1144 WeakPolarHBondContact O-CB 3.37Å; V1140-L1144 PolarHBondContact O-N 3Å; V1140-L1144 VanDerWaalsContact O-N 3.12Å
1141K83.1Confident78.6Confident65.6 Ų65.656.8 Ų56.829%0.28530%0.297SS..Hα-helixtrans-54.4-48.3175.8178.3-176-177.2177.90112.8L1110 L1114 L1137 E1138 E1139 S1143 L1144 I1145L1110-K1141 HydrophobicContact CD1-CB 4.28Å; L1110-K1141 HydrophobicContact CD2-CB 4.11Å; L1110-K1141 HydrophobicContact CD2-CG 4.31Å; L1114-K1141 HydrophobicContact CD1-CB 4.49Å; L1114-K1141 HydrophobicContact CD1-CD 4.04Å; L1114-K1141 HydrophobicContact CD1-CG 4.31Å; L1114-K1141 HydrophobicContact CD2-CB 4.36Å; L1114-K1141 HydrophobicContact CD2-CD 4.11Å; L1114-K1141 HydrophobicContact CD2-CG 4.29Å; L1137-K1141 VanDerWaalsContact O-CB 3.32Å; L1137-K1141 WeakPolarHBondContact O-CB 3.19Å; L1137-K1141 PolarHBondContact O-N 3.1Å; L1137-K1141 VanDerWaalsContact O-N 3.09Å; E1138-K1141 IonicContact OE1-NZ 3.18Å; E1138-K1141 PolarHBondContact OE1-NZ 3.18Å; E1138-K1141 VanDerWaalsContact OE2-CD 3.26Å; E1138-K1141 WeakPolarHBondContact OE2-CD 3.39Å; E1138-K1141 IonicContact OE2-NZ 3.08Å; E1138-K1141 PolarHBondContact OE2-NZ 3.15Å; E1139-K1141 VanDerWaalsContact C-N 3.3Å; E1139-K1141 PolarHBondContact O-N 3.12Å; K1141-S1143 VanDerWaalsContact C-N 3.31Å; K1141-S1143 PolarHBondContact O-N 3.24Å; K1141-L1144 PolarHBondContact O-N 3.28Å; K1141-I1145 HydrophobicContact CD-CD1 4.26Å; K1141-I1145 HydrophobicContact CG-CD1 3.68Å; K1141-I1145 VanDerWaalsContact CG-CD1 3.48Å; K1141-I1145 HydrophobicContact CG-CG1 4.36Å; K1141-I1145 WeakPolarHBondContact O-CB 3.34Å; K1141-I1145 WeakPolarHBondContact O-CD1 3.38Å; K1141-I1145 VanDerWaalsContact O-CG1 3.28Å; K1141-I1145 WeakPolarHBondContact O-CG1 3.35Å; K1141-I1145 PolarHBondContact O-N 3.25Å; K1141-I1145 VanDerWaalsContact O-N 3.13Å
1142R83.5Confident79.1Confident170.8 Ų170.853.6 Ų53.665%0.64528%0.284SS*.Hα-helixtrans-60.7-40.2179.3-79.6-177.2-90.3159.5-2.7112.4E1138 E1139 V1140 S1146E1138-R1142 WeakPolarHBondContact O-CG 3.42Å; E1138-R1142 PolarHBondContact O-N 3.31Å; E1138-R1142 PolarHBondContact O-NE 3.31Å; E1138-R1142 VanDerWaalsContact O-NE 3.12Å; E1138-R1142 IonicContact OE2-NH2 2.79Å; E1139-R1142 PolarHBondContact O-N 3.27Å; V1140-R1142 PolarHBondContact O-N 3.2Å; R1142-S1146 WeakPolarHBondContact O-CB 3.42Å; R1142-S1146 PolarHBondContact O-N 3.17Å
1143S81.8Confident79.5Confident16 Ų1653.3 Ų53.311%0.11228%0.282CS..Hα-helixtrans-69.8-38.8-179.2-174.60000112.8W1078 K1082 E1139 V1140 K1141 S1146 S1147W1078-S1143 VanDerWaalsContact NE1-CB 3.29Å; W1078-S1143 PolarHBondContact NE1-OG 3.15Å; W1078-S1143 VanDerWaalsContact NE1-OG 3.12Å; K1082-S1143 PolarHBondContact NZ-OG 2.99Å; K1082-S1143 VanDerWaalsContact NZ-OG 3.14Å; E1139-S1143 PolarHBondContact O-N 2.93Å; E1139-S1143 VanDerWaalsContact O-N 3.17Å; V1140-S1143 PolarHBondContact O-N 3.2Å; V1140-S1143 VanDerWaalsContact O-N 3.15Å; K1141-S1143 VanDerWaalsContact C-N 3.31Å; K1141-S1143 PolarHBondContact O-N 3.24Å; S1143-S1146 PolarHBondContact O-OG 3.14Å; S1143-S1147 PolarHBondContact O-N 2.8Å; S1143-S1147 PolarHBondContact O-OG 3.46Å; S1143-S1147 VanDerWaalsContact O-OG 3.11Å
1144L82.4Confident79.9Confident1 Ų149 Ų491%0.00526%0.258CS..Hα-helixtrans-71.6-45.7-179.2-171135.2000112.4F1074 W1078 R1106 R1107 L1110 V1140 K1141 S1146 S1147 E1148F1074-L1144 HydrophobicContact CZ-CD1 4.12Å; W1078-L1144 HydrophobicContact CD2-CB 4.36Å; W1078-L1144 HydrophobicContact CD2-CD1 4.24Å; W1078-L1144 HydrophobicContact CD2-CG 4.37Å; W1078-L1144 HydrophobicContact CE3-CD1 3.79Å; W1078-L1144 HydrophobicContact CE3-CG 4.28Å; W1078-L1144 HydrophobicContact CH2-CB 4.15Å; W1078-L1144 HydrophobicContact CH2-CD1 4.02Å; W1078-L1144 HydrophobicContact CH2-CG 3.98Å; W1078-L1144 VanDerWaalsContact CZ2-CA 3.45Å; W1078-L1144 HydrophobicContact CZ2-CB 3.92Å; W1078-L1144 HydrophobicContact CZ2-CD1 4.36Å; W1078-L1144 HydrophobicContact CZ2-CG 4.17Å; W1078-L1144 HydrophobicContact CZ3-CB 4.46Å; W1078-L1144 HydrophobicContact CZ3-CD1 3.67Å; W1078-L1144 HydrophobicContact CZ3-CG 3.98Å; R1106-L1144 HydrophobicContact CB-CD1 3.74Å; R1106-L1144 WeakPolarHBondContact O-CD1 3.32Å; R1107-L1144 HydrophobicContact CB-CD2 3.94Å; R1107-L1144 VanDerWaalsContact CD-CD2 3.48Å; R1107-L1144 HydrophobicContact CG-CD2 4.33Å; L1110-L1144 HydrophobicContact CB-CD1 4.38Å; L1110-L1144 HydrophobicContact CB-CD2 4.3Å; L1110-L1144 HydrophobicContact CD2-CB 4.23Å; L1110-L1144 HydrophobicContact CD2-CD1 4.23Å; L1110-L1144 HydrophobicContact CD2-CD2 4.01Å; L1110-L1144 HydrophobicContact CD2-CG 4.42Å; V1140-L1144 WeakPolarHBondContact O-CB 3.37Å; V1140-L1144 PolarHBondContact O-N 3Å; V1140-L1144 VanDerWaalsContact O-N 3.12Å; K1141-L1144 PolarHBondContact O-N 3.28Å; L1144-S1146 VanDerWaalsContact C-N 3.26Å; L1144-S1146 PolarHBondContact O-N 3.1Å; L1144-S1147 WeakPolarHBondContact O-CB 3.48Å; L1144-S1147 PolarHBondContact O-N 3.1Å; L1144-S1147 VanDerWaalsContact O-N 3.09Å; L1144-E1148 HydrophobicContact CD2-CB 4.46Å; L1144-E1148 WeakPolarHBondContact O-CB 3.47Å; L1144-E1148 PolarHBondContact O-N 3.15Å
1145I81.5Confident80.1Confident69.6 Ų69.650.4 Ų50.436%0.35727%0.265SS..Hα-helixtrans-56.5-40.4177.2-69171000111.3R1107 K1141 S1147 E1148 A1149R1107-I1145 VanDerWaalsContact NH1-CG1 3.31Å; K1141-I1145 HydrophobicContact CD-CD1 4.26Å; K1141-I1145 HydrophobicContact CG-CD1 3.68Å; K1141-I1145 VanDerWaalsContact CG-CD1 3.48Å; K1141-I1145 HydrophobicContact CG-CG1 4.36Å; K1141-I1145 WeakPolarHBondContact O-CB 3.34Å; K1141-I1145 WeakPolarHBondContact O-CD1 3.38Å; K1141-I1145 VanDerWaalsContact O-CG1 3.28Å; K1141-I1145 WeakPolarHBondContact O-CG1 3.35Å; K1141-I1145 PolarHBondContact O-N 3.25Å; K1141-I1145 VanDerWaalsContact O-N 3.13Å; I1145-S1147 VanDerWaalsContact C-N 3.3Å; I1145-S1147 PolarHBondContact O-N 3.24Å; I1145-E1148 PolarHBondContact O-N 3.13Å; I1145-A1149 WeakPolarHBondContact O-CB 3.42Å; I1145-A1149 PolarHBondContact O-N 3.11Å; I1145-A1149 VanDerWaalsContact O-N 3.11Å
1146S79.5Confident80.5Confident75.6 Ų75.650.8 Ų50.853%0.52926%0.259SS..Hα-helixtrans-63.7-33.9178.4164.80000113.2R1142 S1143 L1144R1142-S1146 WeakPolarHBondContact O-CB 3.42Å; R1142-S1146 PolarHBondContact O-N 3.17Å; S1143-S1146 PolarHBondContact O-OG 3.14Å; L1144-S1146 VanDerWaalsContact C-N 3.26Å; L1144-S1146 PolarHBondContact O-N 3.1Å
1147S77.9Confident81.1Confident12.4 Ų12.446.7 Ų46.79%0.08724%0.237CC..Hα-helixtrans-81.3-37.9179.6-630000111.4K1082 S1143 L1144 I1145 A1149 V1150 W1151K1082-S1147 WeakPolarHBondContact CE-OG 3.31Å; S1143-S1147 PolarHBondContact O-N 2.8Å; S1143-S1147 PolarHBondContact O-OG 3.46Å; S1143-S1147 VanDerWaalsContact O-OG 3.11Å; L1144-S1147 WeakPolarHBondContact O-CB 3.48Å; L1144-S1147 PolarHBondContact O-N 3.1Å; L1144-S1147 VanDerWaalsContact O-N 3.09Å; I1145-S1147 VanDerWaalsContact C-N 3.3Å; I1145-S1147 PolarHBondContact O-N 3.24Å; S1147-A1149 VanDerWaalsContact C-N 3.35Å; S1147-A1149 PolarHBondContact O-N 3.04Å; S1147-V1150 WeakPolarHBondContact O-CB 3.19Å; S1147-V1150 PolarHBondContact O-N 3.44Å; S1147-V1150 VanDerWaalsContact O-N 3.17Å; S1147-W1151 VanDerWaalsContact O-CD1 3.32Å; S1147-W1151 PolarHBondContact O-N 2.84Å
1148E78.4Confident81.2Confident39.6 Ų39.647.6 Ų47.619%0.18524%0.243CC..Hα-helixtrans-61.6-43.6175.8-177.3177.2-160.400112.2L1103 R1107 L1144 I1145 V1150 W1151 Q1152L1103-E1148 HydrophobicContact CD2-CB 4.24Å; R1107-E1148 WeakPolarHBondContact CD-OE2 3.38Å; R1107-E1148 VanDerWaalsContact CG-OE2 3.32Å; R1107-E1148 WeakPolarHBondContact CG-OE2 3.48Å; R1107-E1148 IonicContact CZ-OE2 3.16Å; R1107-E1148 IonicContact NE-OE2 3.12Å; R1107-E1148 IonicContact NH1-OE2 3.21Å; R1107-E1148 PolarHBondContact NH1-OE2 3.24Å; L1144-E1148 HydrophobicContact CD2-CB 4.46Å; L1144-E1148 WeakPolarHBondContact O-CB 3.47Å; L1144-E1148 PolarHBondContact O-N 3.15Å; I1145-E1148 PolarHBondContact O-N 3.13Å; E1148-V1150 PolarHBondContact O-N 3.22Å; E1148-W1151 PolarHBondContact O-N 3.03Å; E1148-W1151 VanDerWaalsContact O-N 3.07Å; E1148-Q1152 HydrophobicContact CG-CB 4.18Å; E1148-Q1152 HydrophobicContact CG-CG 3.72Å; E1148-Q1152 VanDerWaalsContact CG-CG 3.47Å; E1148-Q1152 WeakPolarHBondContact O-CA 3.36Å; E1148-Q1152 WeakPolarHBondContact O-CB 3.31Å; E1148-Q1152 WeakPolarHBondContact O-CG 3.48Å; E1148-Q1152 PolarHBondContact O-N 3.05Å; E1148-Q1152 PolarHBondContact OE1-NE2 3.25Å; E1148-Q1152 VanDerWaalsContact OE1-NE2 3.13Å
1149A77.2Confident81.4Confident65.4 Ų65.446.2 Ų46.254%0.5424%0.242SC..Hα-helixtrans-57.1-24.5-179.500000114I1145 S1147I1145-A1149 WeakPolarHBondContact O-CB 3.42Å; I1145-A1149 PolarHBondContact O-N 3.11Å; I1145-A1149 VanDerWaalsContact O-N 3.11Å; S1147-A1149 VanDerWaalsContact C-N 3.35Å; S1147-A1149 PolarHBondContact O-N 3.04Å
1150V78.4Confident81.7Confident37 Ų3743.3 Ų43.322%0.22423%0.231CC..Hα-helixtrans-80.3-36.3179.1175.20000112.3C1085 S1147 E1148 V1198C1085-V1150 HydrophobicContact CB-CG1 4.31Å; C1085-V1150 VanDerWaalsContact SG-CG1 3.54Å; C1085-V1150 WeakPolarHBondContact SG-CG1 3.21Å; S1147-V1150 WeakPolarHBondContact O-CB 3.19Å; S1147-V1150 PolarHBondContact O-N 3.44Å; S1147-V1150 VanDerWaalsContact O-N 3.17Å; E1148-V1150 PolarHBondContact O-N 3.22Å; V1150-V1198 HydrophobicContact CG1-CG2 4.36Å
1151W79.2Confident81.9Confident12.8 Ų12.844.1 Ų44.15%0.04824%0.235CC..Hα-helixtrans-100.1-26.4-169.8-72.490.7000114.4P1083 A1088 L1096 I1099 L1103 S1147 E1148 P1153 Y1154 Q1155 V1198P1083-W1151 HydrophobicContact CB-CZ2 4.17Å; A1088-W1151 HydrophobicContact CB-CH2 4.09Å; A1088-W1151 HydrophobicContact CB-CZ2 4.39Å; L1096-W1151 HydrophobicContact CB-CZ3 4.33Å; L1096-W1151 HydrophobicContact CD2-CH2 3.88Å; L1096-W1151 HydrophobicContact CD2-CZ3 3.82Å; I1099-W1151 HydrophobicContact CB-CE3 4.48Å; I1099-W1151 HydrophobicContact CB-CH2 4.31Å; I1099-W1151 HydrophobicContact CB-CZ2 4.49Å; I1099-W1151 HydrophobicContact CB-CZ3 4.32Å; I1099-W1151 HydrophobicContact CD1-CH2 4.04Å; I1099-W1151 HydrophobicContact CD1-CZ2 4.34Å; I1099-W1151 HydrophobicContact CD1-CZ3 4.37Å; I1099-W1151 HydrophobicContact CG2-CD2 4.14Å; I1099-W1151 HydrophobicContact CG2-CE3 4.17Å; I1099-W1151 HydrophobicContact CG2-CH2 3.91Å; I1099-W1151 HydrophobicContact CG2-CZ2 3.79Å; I1099-W1151 HydrophobicContact CG2-CZ3 4.14Å; L1103-W1151 HydrophobicContact CD1-CB 3.97Å; L1103-W1151 VanDerWaalsContact CD1-CD1 3.49Å; L1103-W1151 HydrophobicContact CD1-CD2 4.38Å; L1103-W1151 HydrophobicContact CD1-CG 3.74Å; L1103-W1151 HydrophobicContact CD2-CB 3.45Å; L1103-W1151 VanDerWaalsContact CD2-CB 3.45Å; L1103-W1151 HydrophobicContact CD2-CG 3.85Å; S1147-W1151 VanDerWaalsContact O-CD1 3.32Å; S1147-W1151 PolarHBondContact O-N 2.84Å; E1148-W1151 PolarHBondContact O-N 3.03Å; E1148-W1151 VanDerWaalsContact O-N 3.07Å; W1151-P1153 VanDerWaalsContact C-CD 3.45Å; W1151-P1153 VanDerWaalsContact C-N 3.34Å; W1151-Y1154 WeakPolarHBondContact O-CB 3.46Å; W1151-Y1154 PolarHBondContact O-N 3.26Å; W1151-Y1154 VanDerWaalsContact O-N 3.12Å; W1151-Q1155 PolarHBondContact O-N 3.27Å; W1151-V1198 HydrophobicContact CD2-CG2 4.24Å; W1151-V1198 HydrophobicContact CE3-CG1 4.39Å; W1151-V1198 HydrophobicContact CE3-CG2 4.28Å; W1151-V1198 HydrophobicContact CH2-CG2 4.25Å; W1151-V1198 HydrophobicContact CZ2-CG2 4.24Å; W1151-V1198 HydrophobicContact CZ3-CG2 4.18Å
1152Q79.3Confident82Confident61.4 Ų61.444.4 Ų44.429%0.28724%0.24SC..Hα-helixtrans-52.3-42.5-178.9-116.6-81.7-7.100114.2E1148 Y1154 Q1155 Q1156E1148-Q1152 HydrophobicContact CG-CB 4.18Å; E1148-Q1152 HydrophobicContact CG-CG 3.72Å; E1148-Q1152 VanDerWaalsContact CG-CG 3.47Å; E1148-Q1152 WeakPolarHBondContact O-CA 3.36Å; E1148-Q1152 WeakPolarHBondContact O-CB 3.31Å; E1148-Q1152 WeakPolarHBondContact O-CG 3.48Å; E1148-Q1152 PolarHBondContact O-N 3.05Å; E1148-Q1152 PolarHBondContact OE1-NE2 3.25Å; E1148-Q1152 VanDerWaalsContact OE1-NE2 3.13Å; Q1152-Y1154 VanDerWaalsContact C-N 3.3Å; Q1152-Y1154 PolarHBondContact O-N 3.29Å; Q1152-Q1155 PolarHBondContact O-N 3.34Å; Q1152-Q1156 VanDerWaalsContact CD-CD 3.5Å; Q1152-Q1156 HydrophobicContact CG-CG 4.25Å; Q1152-Q1156 WeakPolarHBondContact O-CB 3.37Å; Q1152-Q1156 WeakPolarHBondContact O-CG 3.3Å; Q1152-Q1156 PolarHBondContact O-N 3.11Å
1153P81.9Confident82.1Confident10.4 Ų10.442.3 Ų42.37%0.06824%0.238CC..Hα-helixtrans-60.3-36.1178.6-26.235.9000114.1W1151 F1157 W1186 L1193W1151-P1153 VanDerWaalsContact C-CD 3.45Å; W1151-P1153 VanDerWaalsContact C-N 3.34Å; P1153-F1157 VanDerWaalsContact O-CB 3.27Å; P1153-F1157 WeakPolarHBondContact O-CB 3.39Å; P1153-F1157 PolarHBondContact O-N 3.39Å; P1153-W1186 HydrophobicContact CB-CH2 4.4Å; P1153-W1186 HydrophobicContact CB-CZ3 4.23Å; P1153-W1186 VanDerWaalsContact O-CH2 3.3Å; P1153-W1186 WeakPolarHBondContact O-CH2 3.3Å; P1153-W1186 WeakPolarHBondContact O-CZ3 3.36Å; P1153-L1193 HydrophobicContact CB-CD1 3.73Å; P1153-L1193 HydrophobicContact CG-CD1 3.75Å; P1153-L1193 HydrophobicContact CG-CD2 3.9Å; P1153-L1193 HydrophobicContact CG-CG 4.45Å
1154Y82Confident82.3Confident13.8 Ų13.842.4 Ų42.45%0.05424%0.237CC..Hα-helixtrans-71.9-41.1179.7174.8-95.1000112.3L1096 M1097 A1100 W1151 Q1152 F1157 T1158 V1198 V1202L1096-Y1154 HydrophobicContact CB-CE1 3.86Å; L1096-Y1154 VanDerWaalsContact CB-OH 3.3Å; L1096-Y1154 WeakPolarHBondContact CB-OH 3.23Å; L1096-Y1154 HydrophobicContact CD1-CE1 4.5Å; L1096-Y1154 HydrophobicContact CD1-CE2 4.35Å; M1097-Y1154 HydrophobicContact CG-CE1 4.32Å; M1097-Y1154 HydrophobicContact SD-CD1 4.48Å; M1097-Y1154 HydrophobicContact SD-CE1 4.1Å; A1100-Y1154 HydrophobicContact CB-CD1 4.21Å; A1100-Y1154 HydrophobicContact CB-CE1 4.48Å; W1151-Y1154 WeakPolarHBondContact O-CB 3.46Å; W1151-Y1154 PolarHBondContact O-N 3.26Å; W1151-Y1154 VanDerWaalsContact O-N 3.12Å; Q1152-Y1154 VanDerWaalsContact C-N 3.3Å; Q1152-Y1154 PolarHBondContact O-N 3.29Å; Y1154-F1157 PolarHBondContact O-N 3.19Å; Y1154-T1158 VanDerWaalsContact O-CB 3.3Å; Y1154-T1158 WeakPolarHBondContact O-CB 3.26Å; Y1154-T1158 PolarHBondContact O-N 3.33Å; Y1154-T1158 VanDerWaalsContact O-N 3.16Å; Y1154-T1158 PolarHBondContact O-OG1 3.03Å; Y1154-V1198 VanDerWaalsContact CB-CG1 3.41Å; Y1154-V1198 HydrophobicContact CD2-CG1 4.37Å; Y1154-V1198 HydrophobicContact CG-CG1 4.01Å; Y1154-V1202 HydrophobicContact CD2-CG2 4.02Å; Y1154-V1202 HydrophobicContact CG-CG2 4.35Å
1155Q81.3Confident82.4Confident46.6 Ų46.642.5 Ų42.522%0.21824%0.238CC..Hα-helixtrans-62.8-47.3177.9-170.3178.810.200111.3M1097 A1100 N1101 S1104 W1151 Q1152 F1157 T1158 S1159M1097-Q1155 HydrophobicContact CE-CG 4.37Å; A1100-Q1155 HydrophobicContact CB-CB 4.04Å; A1100-Q1155 HydrophobicContact CB-CG 4.13Å; N1101-Q1155 PolarHBondContact OD1-NE2 3.39Å; S1104-Q1155 PolarHBondContact OG-NE2 3.27Å; W1151-Q1155 PolarHBondContact O-N 3.27Å; Q1152-Q1155 PolarHBondContact O-N 3.34Å; Q1155-F1157 PolarHBondContact O-N 3.13Å; Q1155-T1158 PolarHBondContact O-N 3.04Å; Q1155-S1159 WeakPolarHBondContact O-CB 3.42Å; Q1155-S1159 PolarHBondContact O-N 3.25Å; Q1155-S1159 VanDerWaalsContact O-N 3.12Å; Q1155-S1159 PolarHBondContact O-OG 3.13Å; Q1155-S1159 VanDerWaalsContact O-OG 3.12Å
1156Q84.9Confident82.6Confident79.6 Ų79.646.8 Ų46.837%0.37225%0.254SS..Hα-helixtrans-64-41.7179.7-69.5-174.6-6.100112.4Q1152 T1158 S1159 T1160 W1186Q1152-Q1156 VanDerWaalsContact CD-CD 3.5Å; Q1152-Q1156 HydrophobicContact CG-CG 4.25Å; Q1152-Q1156 WeakPolarHBondContact O-CB 3.37Å; Q1152-Q1156 WeakPolarHBondContact O-CG 3.3Å; Q1152-Q1156 PolarHBondContact O-N 3.11Å; Q1156-T1158 VanDerWaalsContact C-N 3.32Å; Q1156-T1158 PolarHBondContact O-N 2.97Å; Q1156-S1159 PolarHBondContact O-OG 2.92Å; Q1156-S1159 VanDerWaalsContact O-OG 3.12Å; Q1156-T1160 WeakPolarHBondContact O-CB 3.36Å; Q1156-T1160 PolarHBondContact O-N 3.09Å; Q1156-T1160 VanDerWaalsContact O-N 3.11Å; Q1156-T1160 PolarHBondContact O-OG1 3.26Å; Q1156-T1160 VanDerWaalsContact O-OG1 3.06Å; Q1156-W1186 VanDerWaalsContact C-CZ2 3.49Å; Q1156-W1186 HydrophobicContact CB-CH2 3.76Å; Q1156-W1186 HydrophobicContact CB-CZ2 3.64Å
1157F86.8Confident83Confident4 Ų446.4 Ų46.42%0.01824%0.244CC..Hα-helixtrans-64.5-46.4179177.4-100.4000111.3P1153 Y1154 Q1155 T1160 L1161 F1182 W1186 V1202 L1206 Y1209P1153-F1157 VanDerWaalsContact O-CB 3.27Å; P1153-F1157 WeakPolarHBondContact O-CB 3.39Å; P1153-F1157 PolarHBondContact O-N 3.39Å; Y1154-F1157 PolarHBondContact O-N 3.19Å; Q1155-F1157 PolarHBondContact O-N 3.13Å; F1157-T1160 PolarHBondContact O-N 2.82Å; F1157-L1161 HydrophobicContact CE1-CD2 4.11Å; F1157-L1161 HydrophobicContact CZ-CD2 4.42Å; F1157-L1161 VanDerWaalsContact O-CB 3.24Å; F1157-L1161 WeakPolarHBondContact O-CB 3.32Å; F1157-L1161 PolarHBondContact O-N 3.14Å; F1157-L1161 VanDerWaalsContact O-N 3.16Å; F1157-F1182 HydrophobicContact CD2-CE1 4.36Å; F1157-F1182 HydrophobicContact CD2-CE2 4.41Å; F1157-F1182 AromaticContact CD2-CZ 3.68Å; F1157-F1182 HydrophobicContact CD2-CZ 3.84Å; F1157-F1182 AromaticContact CE2-CE1 3.89Å; F1157-F1182 HydrophobicContact CE2-CE1 4.07Å; F1157-F1182 AromaticContact CE2-CZ 3.72Å; F1157-F1182 HydrophobicContact CE2-CZ 3.85Å; F1157-F1182 HydrophobicContact CG-CZ 4.4Å; F1157-F1182 HydrophobicContact CZ-CE1 4.46Å; F1157-W1186 VanDerWaalsContact CA-CZ2 3.45Å; F1157-W1186 HydrophobicContact CB-CD2 4.14Å; F1157-W1186 HydrophobicContact CB-CE3 4.22Å; F1157-W1186 HydrophobicContact CB-CH2 3.85Å; F1157-W1186 HydrophobicContact CB-CZ2 3.74Å; F1157-W1186 HydrophobicContact CB-CZ3 4.08Å; F1157-W1186 HydrophobicContact CD2-CB 4.21Å; F1157-W1186 AromaticContact CD2-CD1 3.81Å; F1157-W1186 AromaticContact CD2-CD2 3.62Å; F1157-W1186 HydrophobicContact CD2-CD2 3.62Å; F1157-W1186 AromaticContact CD2-CE2 3.87Å; F1157-W1186 HydrophobicContact CD2-CE3 4.14Å; F1157-W1186 AromaticContact CD2-CG 3.62Å; F1157-W1186 HydrophobicContact CD2-CG 3.62Å; F1157-W1186 AromaticContact CD2-NE1 3.94Å; F1157-W1186 HydrophobicContact CE2-CB 4.34Å; F1157-W1186 HydrophobicContact CE2-CD2 4.46Å; F1157-W1186 HydrophobicContact CE2-CG 4.16Å; F1157-W1186 HydrophobicContact CG-CD2 4.36Å; F1157-W1186 HydrophobicContact CG-CE3 4.49Å; F1157-W1186 VanDerWaalsContact N-CZ2 3.29Å; F1157-V1202 HydrophobicContact CB-CG1 3.94Å; F1157-V1202 HydrophobicContact CB-CG2 4.42Å; F1157-V1202 HydrophobicContact CD1-CG1 3.9Å; F1157-V1202 HydrophobicContact CD1-CG2 4.42Å; F1157-V1202 HydrophobicContact CD2-CG1 3.82Å; F1157-V1202 HydrophobicContact CE1-CG1 4.35Å; F1157-V1202 HydrophobicContact CE2-CG1 4.27Å; F1157-V1202 HydrophobicContact CG-CG1 3.61Å; F1157-V1202 HydrophobicContact CG-CG2 4.49Å; F1157-V1202 HydrophobicContact CZ-CG1 4.38Å; F1157-L1206 HydrophobicContact CE2-CB 4.48Å; F1157-L1206 HydrophobicContact CE2-CD1 4.25Å; F1157-L1206 HydrophobicContact CZ-CB 4.37Å; F1157-Y1209 HydrophobicContact CZ-CD2 4.49Å
1158T83.4Confident83.4Confident24.8 Ų24.850.6 Ų50.615%0.15226%0.262CS..Hα-helixtrans-71.7-37.3-174.8-51.70000112.1M1097 Y1154 Q1155 Q1156 N1162M1097-T1158 HydrophobicContact CE-CG2 4.35Å; M1097-T1158 HydrophobicContact CG-CG2 4.17Å; M1097-T1158 HydrophobicContact SD-CG2 3.59Å; M1097-T1158 WeakPolarHBondContact SD-CG2 3.42Å; Y1154-T1158 VanDerWaalsContact O-CB 3.3Å; Y1154-T1158 WeakPolarHBondContact O-CB 3.26Å; Y1154-T1158 PolarHBondContact O-N 3.33Å; Y1154-T1158 VanDerWaalsContact O-N 3.16Å; Y1154-T1158 PolarHBondContact O-OG1 3.03Å; Q1155-T1158 PolarHBondContact O-N 3.04Å; Q1156-T1158 VanDerWaalsContact C-N 3.32Å; Q1156-T1158 PolarHBondContact O-N 2.97Å; T1158-N1162 VanDerWaalsContact O-CB 3.29Å; T1158-N1162 WeakPolarHBondContact O-CB 3.35Å; T1158-N1162 PolarHBondContact O-N 3.03Å; T1158-N1162 VanDerWaalsContact O-N 3.15Å; T1158-N1162 PolarHBondContact O-ND2 3.25Å; T1158-N1162 VanDerWaalsContact O-ND2 3.15Å
1159S83.7Confident83.8Confident52.2 Ų52.248.8 Ų48.837%0.36525%0.254SS..Hα-helixtrans-64.6-49.6176.984.90000111.6Q1155 Q1156 L1161 N1162 E1163Q1155-S1159 WeakPolarHBondContact O-CB 3.42Å; Q1155-S1159 PolarHBondContact O-N 3.25Å; Q1155-S1159 VanDerWaalsContact O-N 3.12Å; Q1155-S1159 PolarHBondContact O-OG 3.13Å; Q1155-S1159 VanDerWaalsContact O-OG 3.12Å; Q1156-S1159 PolarHBondContact O-OG 2.92Å; Q1156-S1159 VanDerWaalsContact O-OG 3.12Å; S1159-L1161 VanDerWaalsContact C-N 3.34Å; S1159-L1161 PolarHBondContact O-N 3.3Å; S1159-N1162 WeakPolarHBondContact O-CB 3.07Å; S1159-N1162 PolarHBondContact O-N 3.06Å; S1159-N1162 VanDerWaalsContact O-N 3.13Å; S1159-E1163 WeakPolarHBondContact O-CG 3.28Å; S1159-E1163 PolarHBondContact O-N 2.98Å; S1159-E1163 VanDerWaalsContact O-N 3.15Å
1160T86.5Confident84Confident47.4 Ų47.448.4 Ų48.429%0.29124%0.242SC..Hα-helixtrans-65.7-38.8179.8-51.40000111.9Q1156 F1157 N1162 E1163 L1164 F1182Q1156-T1160 WeakPolarHBondContact O-CB 3.36Å; Q1156-T1160 PolarHBondContact O-N 3.09Å; Q1156-T1160 VanDerWaalsContact O-N 3.11Å; Q1156-T1160 PolarHBondContact O-OG1 3.26Å; Q1156-T1160 VanDerWaalsContact O-OG1 3.06Å; F1157-T1160 PolarHBondContact O-N 2.82Å; T1160-N1162 VanDerWaalsContact C-N 3.3Å; T1160-N1162 PolarHBondContact O-N 3.18Å; T1160-E1163 PolarHBondContact O-N 2.97Å; T1160-L1164 HydrophobicContact CG2-CD1 4.29Å; T1160-L1164 HydrophobicContact CG2-CG 4.46Å; T1160-L1164 WeakPolarHBondContact O-CB 3.46Å; T1160-L1164 VanDerWaalsContact O-CG 3.31Å; T1160-L1164 WeakPolarHBondContact O-CG 3.4Å; T1160-L1164 PolarHBondContact O-N 3.17Å; T1160-L1164 VanDerWaalsContact O-N 3.13Å; T1160-F1182 HydrophobicContact CG2-CD2 3.55Å; T1160-F1182 VanDerWaalsContact CG2-CD2 3.45Å; T1160-F1182 HydrophobicContact CG2-CE2 3.39Å; T1160-F1182 VanDerWaalsContact CG2-CE2 3.42Å; T1160-F1182 HydrophobicContact CG2-CG 4.41Å; T1160-F1182 HydrophobicContact CG2-CZ 4.32Å
1161L86.4Confident84.2Confident19.2 Ų19.251.7 Ų51.710%0.10126%0.258CS..Hα-helixtrans-61.7-39.9175.1-176.368.5000111.7F1157 S1159 E1163 G1165 F1179 F1182 Y1209 L1253F1157-L1161 HydrophobicContact CE1-CD2 4.11Å; F1157-L1161 HydrophobicContact CZ-CD2 4.42Å; F1157-L1161 VanDerWaalsContact O-CB 3.24Å; F1157-L1161 WeakPolarHBondContact O-CB 3.32Å; F1157-L1161 PolarHBondContact O-N 3.14Å; F1157-L1161 VanDerWaalsContact O-N 3.16Å; S1159-L1161 VanDerWaalsContact C-N 3.34Å; S1159-L1161 PolarHBondContact O-N 3.3Å; L1161-E1163 VanDerWaalsContact C-N 3.35Å; L1161-G1165 WeakPolarHBondContact O-CA 3.46Å; L1161-G1165 PolarHBondContact O-N 3.15Å; L1161-G1165 VanDerWaalsContact O-N 3.1Å; L1161-F1179 HydrophobicContact CD1-CE2 4.15Å; L1161-F1179 HydrophobicContact CD1-CZ 4.35Å; L1161-F1182 HydrophobicContact CB-CE1 4.39Å; L1161-F1182 HydrophobicContact CB-CZ 4.19Å; L1161-F1182 HydrophobicContact CD1-CE1 4.04Å; L1161-Y1209 HydrophobicContact CD1-CD2 4.26Å; L1161-Y1209 HydrophobicContact CD1-CE2 3.96Å; L1161-Y1209 HydrophobicContact CD2-CD2 4.26Å; L1161-Y1209 HydrophobicContact CD2-CE2 3.6Å; L1161-Y1209 VanDerWaalsContact CD2-CE2 3.48Å; L1161-Y1209 HydrophobicContact CG-CE2 4.43Å; L1161-L1253 HydrophobicContact CD1-CD1 4.06Å; L1161-L1253 HydrophobicContact CG-CD1 4.27Å
1162N84.9Confident84.5Confident72.4 Ų72.451.2 Ų51.239%0.38726%0.256SS..Hα-helixtrans-69.8-33.4177.3-79.8-31000113.1T1158 S1159 T1160 G1165 K1166T1158-N1162 VanDerWaalsContact O-CB 3.29Å; T1158-N1162 WeakPolarHBondContact O-CB 3.35Å; T1158-N1162 PolarHBondContact O-N 3.03Å; T1158-N1162 VanDerWaalsContact O-N 3.15Å; T1158-N1162 PolarHBondContact O-ND2 3.25Å; T1158-N1162 VanDerWaalsContact O-ND2 3.15Å; S1159-N1162 WeakPolarHBondContact O-CB 3.07Å; S1159-N1162 PolarHBondContact O-N 3.06Å; S1159-N1162 VanDerWaalsContact O-N 3.13Å; T1160-N1162 VanDerWaalsContact C-N 3.3Å; T1160-N1162 PolarHBondContact O-N 3.18Å; N1162-G1165 PolarHBondContact O-N 3.1Å; N1162-K1166 VanDerWaalsContact O-CG 3.31Å; N1162-K1166 WeakPolarHBondContact O-CG 3.24Å; N1162-K1166 PolarHBondContact O-N 3.06Å; N1162-K1166 VanDerWaalsContact O-N 3.08Å
1163E86.2Confident84.6Confident126.6 Ų126.651.7 Ų51.759%0.59226%0.255SS*.Hα-helixtrans-66.6-50.5174-74.5177.9171.600111.2S1159 T1160 L1161 G1165 K1166S1159-E1163 WeakPolarHBondContact O-CG 3.28Å; S1159-E1163 PolarHBondContact O-N 2.98Å; S1159-E1163 VanDerWaalsContact O-N 3.15Å; T1160-E1163 PolarHBondContact O-N 2.97Å; L1161-E1163 VanDerWaalsContact C-N 3.35Å; E1163-G1165 VanDerWaalsContact C-N 3.28Å; E1163-G1165 PolarHBondContact O-N 3.31Å; E1163-K1166 PolarHBondContact O-N 3.24Å; E1163-K1166 VanDerWaalsContact O-N 3.1Å
1164L86.6Confident84.7Confident18.4 Ų18.456.2 Ų56.210%0.09628%0.283CS..Hα-helixtrans-60.6-36.8176.4-67.8171.6000111.7T1160 K1166 E1167 F1172 V1178 F1179 F1182 L1249T1160-L1164 HydrophobicContact CG2-CD1 4.29Å; T1160-L1164 HydrophobicContact CG2-CG 4.46Å; T1160-L1164 WeakPolarHBondContact O-CB 3.46Å; T1160-L1164 VanDerWaalsContact O-CG 3.31Å; T1160-L1164 WeakPolarHBondContact O-CG 3.4Å; T1160-L1164 PolarHBondContact O-N 3.17Å; T1160-L1164 VanDerWaalsContact O-N 3.13Å; L1164-K1166 VanDerWaalsContact C-N 3.28Å; L1164-K1166 PolarHBondContact O-N 3Å; L1164-K1166 VanDerWaalsContact O-N 3.17Å; L1164-E1167 PolarHBondContact O-N 3.12Å; L1164-F1172 HydrophobicContact CD2-CE2 4.13Å; L1164-F1172 HydrophobicContact CD2-CZ 4.37Å; L1164-V1178 HydrophobicContact CD2-CG1 4.19Å; L1164-F1179 HydrophobicContact CD1-CD2 4.2Å; L1164-F1182 HydrophobicContact CD1-CB 4.02Å; L1164-F1182 HydrophobicContact CD1-CD1 3.92Å; L1164-F1182 HydrophobicContact CD1-CD2 4.21Å; L1164-F1182 HydrophobicContact CD1-CE1 4.41Å; L1164-F1182 HydrophobicContact CD1-CG 3.77Å; L1164-L1249 HydrophobicContact CB-CD2 4.23Å; L1164-L1249 VanDerWaalsContact O-CD2 3.29Å; L1164-L1249 WeakPolarHBondContact O-CD2 3.47Å
1165G84.7Confident84.8Confident2.4 Ų2.459.8 Ų59.83%0.02530%0.299CS..Hα-helixtrans-63.5-22.517900000115L1161 N1162 E1163 E1167 V1248 L1249 R1250L1161-G1165 WeakPolarHBondContact O-CA 3.46Å; L1161-G1165 PolarHBondContact O-N 3.15Å; L1161-G1165 VanDerWaalsContact O-N 3.1Å; N1162-G1165 PolarHBondContact O-N 3.1Å; E1163-G1165 VanDerWaalsContact C-N 3.28Å; E1163-G1165 PolarHBondContact O-N 3.31Å; G1165-E1167 VanDerWaalsContact C-N 3.34Å; G1165-V1248 WeakPolarHBondContact O-CB 3.39Å; G1165-L1249 PolarHBondContact O-N 3.04Å; G1165-R1250 VanDerWaalsContact O-CB 3.25Å; G1165-R1250 WeakPolarHBondContact O-CB 3.4Å; G1165-R1250 PolarHBondContact O-N 3.38Å; G1165-R1250 VanDerWaalsContact O-N 3.07Å
1166K86Confident84.9Confident160.6 Ų160.659.2 Ų59.270%0.69830%0.297SS*.THydrogen-bonded Turntrans-81.4-15.7-178-72.8170.5-175.1176.40113.9N1162 E1163 L1164N1162-K1166 VanDerWaalsContact O-CG 3.31Å; N1162-K1166 WeakPolarHBondContact O-CG 3.24Å; N1162-K1166 PolarHBondContact O-N 3.06Å; N1162-K1166 VanDerWaalsContact O-N 3.08Å; E1163-K1166 PolarHBondContact O-N 3.24Å; E1163-K1166 VanDerWaalsContact O-N 3.1Å; L1164-K1166 VanDerWaalsContact C-N 3.28Å; L1164-K1166 PolarHBondContact O-N 3Å; L1164-K1166 VanDerWaalsContact O-N 3.17Å
1167E86.6Confident85Confident67 Ų6760.8 Ų60.831%0.31330%0.304SS..SBendtrans-70.3140.1-178.7-67.6-164.2-155.500112.3L1164 G1165 W1169 F1172 K1175 V1248 L1249L1164-E1167 PolarHBondContact O-N 3.12Å; G1165-E1167 VanDerWaalsContact C-N 3.34Å; E1167-W1169 PolarHBondContact O-N 3.11Å; E1167-F1172 HydrophobicContact CB-CB 4.29Å; E1167-F1172 HydrophobicContact CB-CD2 3.85Å; E1167-F1172 HydrophobicContact CB-CG 4.39Å; E1167-F1172 HydrophobicContact CG-CD2 4.33Å; E1167-F1172 WeakPolarHBondContact OE2-CD2 3.35Å; E1167-K1175 IonicContact OE1-NZ 3.39Å; E1167-K1175 IonicContact OE2-NZ 3.63Å; E1167-K1175 PolarHBondContact OE2-NZ 3.15Å; E1167-V1248 VanDerWaalsContact O-CA 3.32Å; E1167-V1248 WeakPolarHBondContact O-CA 3.42Å; E1167-V1248 WeakPolarHBondContact O-CB 3.38Å; E1167-L1249 PolarHBondContact O-N 3.28Å; E1167-L1249 VanDerWaalsContact O-N 3.13Å
1168E86.5Confident85.1Confident102 Ų10263.4 Ų63.448%0.47732%0.32SS..BIsolated β-bridgetrans-64.5132.1174.4-66.1-179.6176.100110.8L1170 L1171 F1172E1168-L1170 VanDerWaalsContact C-N 3.29Å; E1168-L1170 PolarHBondContact O-N 3.26Å; E1168-L1171 HydrophobicContact CB-CD1 4.36Å; E1168-L1171 PolarHBondContact O-N 3.26Å; E1168-L1171 VanDerWaalsContact O-N 3.11Å; E1168-F1172 VanDerWaalsContact O-CB 3.32Å; E1168-F1172 WeakPolarHBondContact O-CB 3.42Å; E1168-F1172 PolarHBondContact O-N 3.23Å
1169W86.9Confident85.3Confident1.2 Ų1.262.2 Ų62.21%0.00531%0.313CS..Hα-helixtrans-62-37.6-174.2179.6-115.6000113.1E1167 L1171 F1172 R1173 L1176 L1216 C1219 L1247 L1249 L1252E1167-W1169 PolarHBondContact O-N 3.11Å; W1169-L1171 PolarHBondContact O-N 3.15Å; W1169-F1172 HydrophobicContact CE3-CB 4.43Å; W1169-F1172 HydrophobicContact CE3-CD1 4.18Å; W1169-F1172 AromaticContact CZ3-CD1 3.96Å; W1169-F1172 HydrophobicContact CZ3-CD1 3.98Å; W1169-F1172 PolarHBondContact O-N 3.01Å; W1169-R1173 HydrophobicContact CD2-CB 4.27Å; W1169-R1173 HydrophobicContact CH2-CB 4.46Å; W1169-R1173 HydrophobicContact CZ2-CB 4.28Å; W1169-R1173 VanDerWaalsContact O-CB 3.27Å; W1169-R1173 WeakPolarHBondContact O-CB 3.38Å; W1169-R1173 VanDerWaalsContact O-CG 3.31Å; W1169-R1173 WeakPolarHBondContact O-CG 3.3Å; W1169-R1173 PolarHBondContact O-N 2.94Å; W1169-L1176 HydrophobicContact CH2-CD1 3.93Å; W1169-L1176 HydrophobicContact CH2-CD2 3.79Å; W1169-L1176 HydrophobicContact CZ3-CD1 4.39Å; W1169-L1176 HydrophobicContact CZ3-CD2 3.95Å; W1169-L1216 HydrophobicContact CH2-CB 4.39Å; W1169-L1216 HydrophobicContact CH2-CD2 4.08Å; W1169-C1219 HydrophobicContact CH2-CB 4.48Å; W1169-C1219 HydrophobicContact CZ2-CB 3.78Å; W1169-C1219 WeakPolarHBondContact CZ2-O 3.28Å; W1169-C1219 PolarHBondContact NE1-O 3.18Å; W1169-C1219 VanDerWaalsContact NE1-O 3.08Å; W1169-L1247 HydrophobicContact CB-CB 4.18Å; W1169-L1247 HydrophobicContact CB-CD2 3.88Å; W1169-L1247 HydrophobicContact CB-CG 3.91Å; W1169-L1247 VanDerWaalsContact CB-O 3.25Å; W1169-L1247 WeakPolarHBondContact CB-O 3.36Å; W1169-L1247 HydrophobicContact CG-CD2 3.83Å; W1169-L1247 HydrophobicContact CG-CG 4.3Å; W1169-L1247 PolarHBondContact N-O 3.24Å; W1169-L1249 HydrophobicContact CE3-CD1 4.15Å; W1169-L1249 HydrophobicContact CZ3-CD1 3.8Å; W1169-L1252 HydrophobicContact CD2-CD1 3.24Å; W1169-L1252 VanDerWaalsContact CE2-CD1 3.45Å; W1169-L1252 HydrophobicContact CE3-CD1 3.24Å; W1169-L1252 VanDerWaalsContact CE3-CD1 3.4Å; W1169-L1252 HydrophobicContact CG-CD1 3.89Å; W1169-L1252 HydrophobicContact CH2-CD1 3.65Å; W1169-L1252 HydrophobicContact CZ2-CD1 3.67Å; W1169-L1252 HydrophobicContact CZ3-CD1 3.44Å; W1169-L1252 VanDerWaalsContact CZ3-CD1 3.42Å
1170L81Confident85.5Confident56.2 Ų56.260.5 Ų60.529%0.29430%0.302SS..Hα-helixtrans-60.8-29.8178.7-74.6164.3000112.7E1168 R1173 W1229E1168-L1170 VanDerWaalsContact C-N 3.29Å; E1168-L1170 PolarHBondContact O-N 3.26Å; L1170-R1173 WeakPolarHBondContact O-CG 3.4Å; L1170-R1173 PolarHBondContact O-NE 2.94Å; L1170-R1173 VanDerWaalsContact O-NE 3.11Å; L1170-W1229 HydrophobicContact CD2-CZ2 4.33Å
1171L83Confident85.6Confident107.6 Ų107.662.6 Ų62.656%0.56331%0.312SS*.Hα-helixtrans-88.2-43.5173.7-64.2172.6000111.1E1168 W1169 R1173 T1174E1168-L1171 HydrophobicContact CB-CD1 4.36Å; E1168-L1171 PolarHBondContact O-N 3.26Å; E1168-L1171 VanDerWaalsContact O-N 3.11Å; W1169-L1171 PolarHBondContact O-N 3.15Å; L1171-R1173 VanDerWaalsContact C-N 3.32Å; L1171-R1173 PolarHBondContact O-N 3.23Å; L1171-T1174 PolarHBondContact O-N 3.16Å; L1171-T1174 PolarHBondContact O-OG1 3.12Å
1172F85.2Confident85.8Confident0.8 Ų0.862.6 Ų62.60%0.00431%0.311CS..Hα-helixtrans-68.2-28-176-165.3-96.2000113.6L1164 E1167 E1168 W1169 T1174 K1175 L1176 F1179 L1249L1164-F1172 HydrophobicContact CD2-CE2 4.13Å; L1164-F1172 HydrophobicContact CD2-CZ 4.37Å; E1167-F1172 HydrophobicContact CB-CB 4.29Å; E1167-F1172 HydrophobicContact CB-CD2 3.85Å; E1167-F1172 HydrophobicContact CB-CG 4.39Å; E1167-F1172 HydrophobicContact CG-CD2 4.33Å; E1167-F1172 WeakPolarHBondContact OE2-CD2 3.35Å; E1168-F1172 VanDerWaalsContact O-CB 3.32Å; E1168-F1172 WeakPolarHBondContact O-CB 3.42Å; E1168-F1172 PolarHBondContact O-N 3.23Å; W1169-F1172 HydrophobicContact CE3-CB 4.43Å; W1169-F1172 HydrophobicContact CE3-CD1 4.18Å; W1169-F1172 AromaticContact CZ3-CD1 3.96Å; W1169-F1172 HydrophobicContact CZ3-CD1 3.98Å; W1169-F1172 PolarHBondContact O-N 3.01Å; F1172-T1174 PolarHBondContact O-N 3.12Å; F1172-T1174 VanDerWaalsContact O-N 3.08Å; F1172-K1175 HydrophobicContact CD2-CB 4.48Å; F1172-K1175 CarbonylContact O-C 3.44Å; F1172-K1175 WeakPolarHBondContact O-CA 3.32Å; F1172-K1175 PolarHBondContact O-N 3.1Å; F1172-L1176 HydrophobicContact CD1-CD2 4.43Å; F1172-L1176 HydrophobicContact CE1-CD2 4.42Å; F1172-L1176 PolarHBondContact O-N 3.01Å; F1172-F1179 HydrophobicContact CE1-CB 4.1Å; F1172-F1179 HydrophobicContact CZ-CB 3.92Å; F1172-L1249 HydrophobicContact CD1-CB 4.42Å; F1172-L1249 HydrophobicContact CD1-CD1 3.94Å; F1172-L1249 HydrophobicContact CD1-CD2 4.05Å; F1172-L1249 HydrophobicContact CD1-CG 4.37Å; F1172-L1249 HydrophobicContact CD2-CD2 4.48Å; F1172-L1249 HydrophobicContact CE1-CD1 3.85Å; F1172-L1249 HydrophobicContact CE1-CD2 3.53Å; F1172-L1249 VanDerWaalsContact CE1-CD2 3.47Å; F1172-L1249 HydrophobicContact CE1-CG 4.22Å; F1172-L1249 HydrophobicContact CE2-CD2 4.19Å; F1172-L1249 HydrophobicContact CG-CD2 4.46Å; F1172-L1249 HydrophobicContact CZ-CD2 3.61Å; F1172-L1249 VanDerWaalsContact CZ-CD2 3.49Å
1173R82Confident86Confident71.6 Ų71.659.2 Ų59.227%0.2729%0.293SS..THydrogen-bonded Turntrans-57.9-23-179.466.7-175.9178.1159.22.8114W1169 L1170 L1171 K1175 I1220 G1221W1169-R1173 HydrophobicContact CD2-CB 4.27Å; W1169-R1173 HydrophobicContact CH2-CB 4.46Å; W1169-R1173 HydrophobicContact CZ2-CB 4.28Å; W1169-R1173 VanDerWaalsContact O-CB 3.27Å; W1169-R1173 WeakPolarHBondContact O-CB 3.38Å; W1169-R1173 VanDerWaalsContact O-CG 3.31Å; W1169-R1173 WeakPolarHBondContact O-CG 3.3Å; W1169-R1173 PolarHBondContact O-N 2.94Å; L1170-R1173 WeakPolarHBondContact O-CG 3.4Å; L1170-R1173 PolarHBondContact O-NE 2.94Å; L1170-R1173 VanDerWaalsContact O-NE 3.11Å; L1171-R1173 VanDerWaalsContact C-N 3.32Å; L1171-R1173 PolarHBondContact O-N 3.23Å; R1173-K1175 VanDerWaalsContact C-N 3.35Å; R1173-I1220 HydrophobicContact CB-CG1 4.49Å; R1173-I1220 HydrophobicContact CB-CG2 4.35Å; R1173-I1220 WeakPolarHBondContact CD-O 3.27Å; R1173-I1220 HydrophobicContact CG-CG2 4.3Å; R1173-I1220 PolarHBondContact NH1-O 3.3Å; R1173-G1221 PolarHBondContact NH1-O 2.94Å
1174T83Confident86.1Confident106.6 Ų106.656.9 Ų56.965%0.65428%0.284SS*.THydrogen-bonded Turntrans-83.1-15.7174.3610000113.2L1171 F1172L1171-T1174 PolarHBondContact O-N 3.16Å; L1171-T1174 PolarHBondContact O-OG1 3.12Å; F1172-T1174 PolarHBondContact O-N 3.12Å; F1172-T1174 VanDerWaalsContact O-N 3.08Å
1175K84.6Confident86.2Confident89.6 Ų89.659.5 Ų59.539%0.3930%0.301SS..  trans-110.825.4-175.5-58-177.4-170.7168.80113.7E1167 F1172 R1173 H1177 V1178E1167-K1175 IonicContact OE1-NZ 3.39Å; E1167-K1175 IonicContact OE2-NZ 3.63Å; E1167-K1175 PolarHBondContact OE2-NZ 3.15Å; F1172-K1175 HydrophobicContact CD2-CB 4.48Å; F1172-K1175 CarbonylContact O-C 3.44Å; F1172-K1175 WeakPolarHBondContact O-CA 3.32Å; F1172-K1175 PolarHBondContact O-N 3.1Å; R1173-K1175 VanDerWaalsContact C-N 3.35Å; K1175-H1177 PolarHBondContact O-N 3.29Å; K1175-H1177 VanDerWaalsContact O-N 3.08Å; K1175-V1178 HydrophobicContact CB-CG2 4.09Å; K1175-V1178 WeakPolarHBondContact O-CB 3.39Å; K1175-V1178 PolarHBondContact O-N 3.16Å
1176L84Confident86.3Confident33.8 Ų33.859.9 Ų59.918%0.17730%0.302CS..Hα-helixtrans-55.8-27.5-177.4-121.4125.2000114W1169 F1172 V1178 F1179 A1180 L1216 I1220W1169-L1176 HydrophobicContact CH2-CD1 3.93Å; W1169-L1176 HydrophobicContact CH2-CD2 3.79Å; W1169-L1176 HydrophobicContact CZ3-CD1 4.39Å; W1169-L1176 HydrophobicContact CZ3-CD2 3.95Å; F1172-L1176 HydrophobicContact CD1-CD2 4.43Å; F1172-L1176 HydrophobicContact CE1-CD2 4.42Å; F1172-L1176 PolarHBondContact O-N 3.01Å; L1176-V1178 VanDerWaalsContact C-N 3.32Å; L1176-V1178 PolarHBondContact O-N 3Å; L1176-F1179 PolarHBondContact O-N 3.29Å; L1176-A1180 PolarHBondContact O-N 3.16Å; L1176-L1216 HydrophobicContact CD1-CB 3.83Å; L1176-L1216 HydrophobicContact CD1-CD1 4.23Å; L1176-L1216 HydrophobicContact CD1-CG 4.49Å; L1176-L1216 HydrophobicContact CD2-CB 4.21Å; L1176-L1216 HydrophobicContact CD2-CD1 4.34Å; L1176-L1216 HydrophobicContact CG-CB 4.48Å; L1176-I1220 HydrophobicContact CD1-CD1 3.95Å; L1176-I1220 HydrophobicContact CD1-CG1 3.99Å
1177H87.2Confident86.3Confident112.8 Ų112.856.9 Ų56.952%0.52229%0.289SS..Hα-helixtrans-62.5-34.8175.762.3-85.3000112.7K1175 F1179 A1180 D1181K1175-H1177 PolarHBondContact O-N 3.29Å; K1175-H1177 VanDerWaalsContact O-N 3.08Å; H1177-F1179 VanDerWaalsContact C-N 3.29Å; H1177-F1179 PolarHBondContact O-N 3.13Å; H1177-A1180 WeakPolarHBondContact O-CA 3.36Å; H1177-A1180 VanDerWaalsContact O-CB 3.31Å; H1177-A1180 WeakPolarHBondContact O-CB 3.41Å; H1177-A1180 PolarHBondContact O-N 3.28Å; H1177-A1180 VanDerWaalsContact O-N 3.13Å; H1177-D1181 WeakPolarHBondContact O-CB 3.38Å; H1177-D1181 VanDerWaalsContact O-CG 3.3Å; H1177-D1181 PolarHBondContact O-N 3.14Å
1178V88.1Confident86.3Confident57.2 Ų57.258.5 Ų58.535%0.34730%0.296SS..Hα-helixtrans-61.6-39.8178.1-178.70000111.1L1164 K1175 L1176 D1181 F1182L1164-V1178 HydrophobicContact CD2-CG1 4.19Å; K1175-V1178 HydrophobicContact CB-CG2 4.09Å; K1175-V1178 WeakPolarHBondContact O-CB 3.39Å; K1175-V1178 PolarHBondContact O-N 3.16Å; L1176-V1178 VanDerWaalsContact C-N 3.32Å; L1176-V1178 PolarHBondContact O-N 3Å; V1178-D1181 PolarHBondContact O-N 3.34Å; V1178-F1182 WeakPolarHBondContact O-CB 3.39Å; V1178-F1182 PolarHBondContact O-N 3.32Å; V1178-F1182 VanDerWaalsContact O-N 3.1Å
1179F88.2Confident86.2Confident0 Ų057.9 Ų57.90%029%0.292CS..Hα-helixtrans-68.7-38.9175.3-167.9-122.6000112L1161 L1164 F1172 L1176 H1177 F1182 L1183 Y1209 L1213 L1216 L1249 L1253L1161-F1179 HydrophobicContact CD1-CE2 4.15Å; L1161-F1179 HydrophobicContact CD1-CZ 4.35Å; L1164-F1179 HydrophobicContact CD1-CD2 4.2Å; F1172-F1179 HydrophobicContact CE1-CB 4.1Å; F1172-F1179 HydrophobicContact CZ-CB 3.92Å; L1176-F1179 PolarHBondContact O-N 3.29Å; H1177-F1179 VanDerWaalsContact C-N 3.29Å; H1177-F1179 PolarHBondContact O-N 3.13Å; F1179-F1182 HydrophobicContact CD2-CD1 4.26Å; F1179-F1182 HydrophobicContact CE2-CD1 4.27Å; F1179-F1182 HydrophobicContact CE2-CE1 4.43Å; F1179-F1182 WeakPolarHBondContact O-CB 3.36Å; F1179-F1182 PolarHBondContact O-N 3.08Å; F1179-L1183 HydrophobicContact CD1-CD1 4.04Å; F1179-L1183 HydrophobicContact CE1-CD1 3.67Å; F1179-L1183 HydrophobicContact CE1-CG 4.38Å; F1179-L1183 HydrophobicContact CE2-CD2 4.36Å; F1179-L1183 HydrophobicContact CE2-CG 4.4Å; F1179-L1183 HydrophobicContact CZ-CD1 3.97Å; F1179-L1183 HydrophobicContact CZ-CD2 4.26Å; F1179-L1183 HydrophobicContact CZ-CG 4.29Å; F1179-L1183 WeakPolarHBondContact O-CG 3.28Å; F1179-L1183 PolarHBondContact O-N 3.01Å; F1179-Y1209 HydrophobicContact CZ-CD1 4.47Å; F1179-Y1209 HydrophobicContact CZ-CG 4.29Å; F1179-L1213 HydrophobicContact CD1-CD1 4.18Å; F1179-L1216 HydrophobicContact CD1-CD1 4.16Å; F1179-L1216 HydrophobicContact CE1-CD1 4.16Å; F1179-L1249 HydrophobicContact CD2-CD2 4.33Å; F1179-L1253 HydrophobicContact CE1-CD2 4.14Å; F1179-L1253 HydrophobicContact CE2-CD2 4.28Å; F1179-L1253 HydrophobicContact CZ-CD2 3.57Å
1180A87.6Confident86Confident17.6 Ų17.659 Ų5915%0.14530%0.298CS..Hα-helixtrans-62-46176.400000111.8L1176 H1177 F1182 L1183 N1184 L1213L1176-A1180 PolarHBondContact O-N 3.16Å; H1177-A1180 WeakPolarHBondContact O-CA 3.36Å; H1177-A1180 VanDerWaalsContact O-CB 3.31Å; H1177-A1180 WeakPolarHBondContact O-CB 3.41Å; H1177-A1180 PolarHBondContact O-N 3.28Å; H1177-A1180 VanDerWaalsContact O-N 3.13Å; A1180-F1182 VanDerWaalsContact C-N 3.34Å; A1180-F1182 PolarHBondContact O-N 3.03Å; A1180-L1183 PolarHBondContact O-N 3.23Å; A1180-N1184 WeakPolarHBondContact O-CB 3.45Å; A1180-N1184 VanDerWaalsContact O-CG 3.3Å; A1180-N1184 PolarHBondContact O-N 3.18Å; A1180-N1184 PolarHBondContact O-ND2 3.23Å; A1180-N1184 VanDerWaalsContact O-ND2 3.13Å; A1180-L1213 VanDerWaalsContact CA-CD1 3.48Å; A1180-L1213 HydrophobicContact CB-CD1 3.72Å; A1180-L1213 HydrophobicContact CB-CD2 3.92Å; A1180-L1213 HydrophobicContact CB-CG 4.45Å
1181D89.6Confident86Confident90.8 Ų90.862.6 Ų62.649%0.48631%0.311SS..Hα-helixtrans-64.6-40.4179.6-65.8-20.7000111.3H1177 V1178 N1184 T1185H1177-D1181 WeakPolarHBondContact O-CB 3.38Å; H1177-D1181 VanDerWaalsContact O-CG 3.3Å; H1177-D1181 PolarHBondContact O-N 3.14Å; V1178-D1181 PolarHBondContact O-N 3.34Å; D1181-N1184 PolarHBondContact O-N 3.21Å; D1181-T1185 VanDerWaalsContact O-CB 3.24Å; D1181-T1185 WeakPolarHBondContact O-CB 3.36Å; D1181-T1185 PolarHBondContact O-N 3.11Å; D1181-T1185 PolarHBondContact O-OG1 3.21Å
1182F90.1Very high85.9Confident20.2 Ų20.264.3 Ų64.39%0.08932%0.321CS..Hα-helixtrans-57.2-51.7172.8167-105000112.1F1157 T1160 L1161 L1164 V1178 F1179 A1180 N1184 T1185 W1186F1157-F1182 HydrophobicContact CD2-CE1 4.36Å; F1157-F1182 HydrophobicContact CD2-CE2 4.41Å; F1157-F1182 AromaticContact CD2-CZ 3.68Å; F1157-F1182 HydrophobicContact CD2-CZ 3.84Å; F1157-F1182 AromaticContact CE2-CE1 3.89Å; F1157-F1182 HydrophobicContact CE2-CE1 4.07Å; F1157-F1182 AromaticContact CE2-CZ 3.72Å; F1157-F1182 HydrophobicContact CE2-CZ 3.85Å; F1157-F1182 HydrophobicContact CG-CZ 4.4Å; F1157-F1182 HydrophobicContact CZ-CE1 4.46Å; T1160-F1182 HydrophobicContact CG2-CD2 3.55Å; T1160-F1182 VanDerWaalsContact CG2-CD2 3.45Å; T1160-F1182 HydrophobicContact CG2-CE2 3.39Å; T1160-F1182 VanDerWaalsContact CG2-CE2 3.42Å; T1160-F1182 HydrophobicContact CG2-CG 4.41Å; T1160-F1182 HydrophobicContact CG2-CZ 4.32Å; L1161-F1182 HydrophobicContact CB-CE1 4.39Å; L1161-F1182 HydrophobicContact CB-CZ 4.19Å; L1161-F1182 HydrophobicContact CD1-CE1 4.04Å; L1164-F1182 HydrophobicContact CD1-CB 4.02Å; L1164-F1182 HydrophobicContact CD1-CD1 3.92Å; L1164-F1182 HydrophobicContact CD1-CD2 4.21Å; L1164-F1182 HydrophobicContact CD1-CE1 4.41Å; L1164-F1182 HydrophobicContact CD1-CG 3.77Å; V1178-F1182 WeakPolarHBondContact O-CB 3.39Å; V1178-F1182 PolarHBondContact O-N 3.32Å; V1178-F1182 VanDerWaalsContact O-N 3.1Å; F1179-F1182 HydrophobicContact CD2-CD1 4.26Å; F1179-F1182 HydrophobicContact CE2-CD1 4.27Å; F1179-F1182 HydrophobicContact CE2-CE1 4.43Å; F1179-F1182 WeakPolarHBondContact O-CB 3.36Å; F1179-F1182 PolarHBondContact O-N 3.08Å; A1180-F1182 VanDerWaalsContact C-N 3.34Å; A1180-F1182 PolarHBondContact O-N 3.03Å; F1182-N1184 PolarHBondContact O-N 2.99Å; F1182-T1185 PolarHBondContact O-N 3.12Å; F1182-W1186 AromaticContact CD2-CD1 3.63Å; F1182-W1186 AromaticContact CD2-NE1 3.87Å; F1182-W1186 AromaticContact CE2-CD1 3.24Å; F1182-W1186 HydrophobicContact CE2-CG 4.39Å; F1182-W1186 AromaticContact CE2-NE1 3.21Å; F1182-W1186 VanDerWaalsContact CE2-NE1 3.28Å; F1182-W1186 AromaticContact CZ-CD1 3.71Å; F1182-W1186 AromaticContact CZ-NE1 3.88Å; F1182-W1186 VanDerWaalsContact O-CD1 3.28Å; F1182-W1186 PolarHBondContact O-N 2.97Å; F1182-W1186 VanDerWaalsContact O-N 3.12Å
1183L89.1Confident85.5Confident0 Ų066.7 Ų66.70%033%0.334CS..Hα-helixtrans-64.8-42.3-179.6-64.8175.9000111.8F1179 A1180 T1185 W1186 K1187 L1206 Y1209 L1210 L1213F1179-L1183 HydrophobicContact CD1-CD1 4.04Å; F1179-L1183 HydrophobicContact CE1-CD1 3.67Å; F1179-L1183 HydrophobicContact CE1-CG 4.38Å; F1179-L1183 HydrophobicContact CE2-CD2 4.36Å; F1179-L1183 HydrophobicContact CE2-CG 4.4Å; F1179-L1183 HydrophobicContact CZ-CD1 3.97Å; F1179-L1183 HydrophobicContact CZ-CD2 4.26Å; F1179-L1183 HydrophobicContact CZ-CG 4.29Å; F1179-L1183 WeakPolarHBondContact O-CG 3.28Å; F1179-L1183 PolarHBondContact O-N 3.01Å; A1180-L1183 PolarHBondContact O-N 3.23Å; L1183-T1185 VanDerWaalsContact C-N 3.34Å; L1183-T1185 PolarHBondContact O-N 3.23Å; L1183-W1186 PolarHBondContact O-N 3.12Å; L1183-K1187 WeakPolarHBondContact O-CB 3.35Å; L1183-K1187 PolarHBondContact O-N 3.13Å; L1183-L1206 HydrophobicContact CB-CD1 4.13Å; L1183-L1206 HydrophobicContact CD2-CD1 3.86Å; L1183-L1206 HydrophobicContact CG-CD1 4.33Å; L1183-L1206 VanDerWaalsContact O-CD1 3.31Å; L1183-L1206 WeakPolarHBondContact O-CD1 3.35Å; L1183-Y1209 HydrophobicContact CD2-CD2 4.44Å; L1183-Y1209 HydrophobicContact CD2-CG 4.47Å; L1183-L1210 HydrophobicContact CB-CD2 3.78Å; L1183-L1210 HydrophobicContact CB-CG 4.29Å; L1183-L1210 HydrophobicContact CD1-CD2 4.23Å; L1183-L1210 HydrophobicContact CD1-CG 4.46Å; L1183-L1213 HydrophobicContact CD1-CB 4.43Å; L1183-L1213 HydrophobicContact CD1-CD1 3.94Å
1184N87.9Confident85Confident78.4 Ų78.467.9 Ų67.942%0.41935%0.351SS..Hα-helixtrans-65.5-39.3178.4-73.5-35.9000112.2A1180 D1181 F1182 W1186 K1187 E1188A1180-N1184 WeakPolarHBondContact O-CB 3.45Å; A1180-N1184 VanDerWaalsContact O-CG 3.3Å; A1180-N1184 PolarHBondContact O-N 3.18Å; A1180-N1184 PolarHBondContact O-ND2 3.23Å; A1180-N1184 VanDerWaalsContact O-ND2 3.13Å; D1181-N1184 PolarHBondContact O-N 3.21Å; F1182-N1184 PolarHBondContact O-N 2.99Å; N1184-W1186 VanDerWaalsContact C-N 3.32Å; N1184-W1186 PolarHBondContact O-N 3.37Å; N1184-K1187 VanDerWaalsContact O-CB 3.27Å; N1184-K1187 WeakPolarHBondContact O-CB 3.28Å; N1184-K1187 PolarHBondContact O-N 3.24Å; N1184-E1188 PolarHBondContact O-N 3.27Å; N1184-E1188 VanDerWaalsContact O-N 3.12Å
1185T88.2Confident84.5Confident74 Ų7469.3 Ų69.345%0.45436%0.359SS..Hα-helixtrans-61.1-42.8175.7-58.80000111.3D1181 F1182 L1183 K1187 E1188 K1189D1181-T1185 VanDerWaalsContact O-CB 3.24Å; D1181-T1185 WeakPolarHBondContact O-CB 3.36Å; D1181-T1185 PolarHBondContact O-N 3.11Å; D1181-T1185 PolarHBondContact O-OG1 3.21Å; F1182-T1185 PolarHBondContact O-N 3.12Å; L1183-T1185 VanDerWaalsContact C-N 3.34Å; L1183-T1185 PolarHBondContact O-N 3.23Å; T1185-K1187 VanDerWaalsContact C-N 3.33Å; T1185-E1188 PolarHBondContact O-N 3.17Å; T1185-K1189 HydrophobicContact CG2-CD 4.41Å; T1185-K1189 WeakPolarHBondContact O-CG 3.35Å; T1185-K1189 PolarHBondContact O-N 3.17Å; T1185-K1189 VanDerWaalsContact O-N 3.12Å
1186W87.9Confident84Confident10 Ų1066.9 Ų66.94%0.03835%0.35CS..Hα-helixtrans-71.3-31.6177.2-86.3102.2000113.7P1153 Q1156 F1157 F1182 L1183 N1184 E1188 K1189 L1190 V1202 L1206P1153-W1186 HydrophobicContact CB-CH2 4.4Å; P1153-W1186 HydrophobicContact CB-CZ3 4.23Å; P1153-W1186 VanDerWaalsContact O-CH2 3.3Å; P1153-W1186 WeakPolarHBondContact O-CH2 3.3Å; P1153-W1186 WeakPolarHBondContact O-CZ3 3.36Å; Q1156-W1186 VanDerWaalsContact C-CZ2 3.49Å; Q1156-W1186 HydrophobicContact CB-CH2 3.76Å; Q1156-W1186 HydrophobicContact CB-CZ2 3.64Å; F1157-W1186 VanDerWaalsContact CA-CZ2 3.45Å; F1157-W1186 HydrophobicContact CB-CD2 4.14Å; F1157-W1186 HydrophobicContact CB-CE3 4.22Å; F1157-W1186 HydrophobicContact CB-CH2 3.85Å; F1157-W1186 HydrophobicContact CB-CZ2 3.74Å; F1157-W1186 HydrophobicContact CB-CZ3 4.08Å; F1157-W1186 HydrophobicContact CD2-CB 4.21Å; F1157-W1186 AromaticContact CD2-CD1 3.81Å; F1157-W1186 AromaticContact CD2-CD2 3.62Å; F1157-W1186 HydrophobicContact CD2-CD2 3.62Å; F1157-W1186 AromaticContact CD2-CE2 3.87Å; F1157-W1186 HydrophobicContact CD2-CE3 4.14Å; F1157-W1186 AromaticContact CD2-CG 3.62Å; F1157-W1186 HydrophobicContact CD2-CG 3.62Å; F1157-W1186 AromaticContact CD2-NE1 3.94Å; F1157-W1186 HydrophobicContact CE2-CB 4.34Å; F1157-W1186 HydrophobicContact CE2-CD2 4.46Å; F1157-W1186 HydrophobicContact CE2-CG 4.16Å; F1157-W1186 HydrophobicContact CG-CD2 4.36Å; F1157-W1186 HydrophobicContact CG-CE3 4.49Å; F1157-W1186 VanDerWaalsContact N-CZ2 3.29Å; F1182-W1186 AromaticContact CD2-CD1 3.63Å; F1182-W1186 AromaticContact CD2-NE1 3.87Å; F1182-W1186 AromaticContact CE2-CD1 3.24Å; F1182-W1186 HydrophobicContact CE2-CG 4.39Å; F1182-W1186 AromaticContact CE2-NE1 3.21Å; F1182-W1186 VanDerWaalsContact CE2-NE1 3.28Å; F1182-W1186 AromaticContact CZ-CD1 3.71Å; F1182-W1186 AromaticContact CZ-NE1 3.88Å; F1182-W1186 VanDerWaalsContact O-CD1 3.28Å; F1182-W1186 PolarHBondContact O-N 2.97Å; F1182-W1186 VanDerWaalsContact O-N 3.12Å; L1183-W1186 PolarHBondContact O-N 3.12Å; N1184-W1186 VanDerWaalsContact C-N 3.32Å; N1184-W1186 PolarHBondContact O-N 3.37Å; W1186-E1188 VanDerWaalsContact C-N 3.32Å; W1186-E1188 PolarHBondContact O-N 3.13Å; W1186-K1189 HydrophobicContact CD2-CD 4.34Å; W1186-K1189 HydrophobicContact CE3-CB 4.23Å; W1186-K1189 HydrophobicContact CE3-CD 4.28Å; W1186-K1189 HydrophobicContact CH2-CD 4.42Å; W1186-K1189 HydrophobicContact CZ2-CD 4.47Å; W1186-K1189 HydrophobicContact CZ3-CD 4.37Å; W1186-K1189 PolarHBondContact O-N 3.11Å; W1186-L1190 WeakPolarHBondContact O-CB 3.38Å; W1186-L1190 PolarHBondContact O-N 3.14Å; W1186-V1202 HydrophobicContact CE3-CG1 4.19Å; W1186-V1202 HydrophobicContact CZ3-CG1 4.35Å; W1186-L1206 HydrophobicContact CB-CD1 4.04Å; W1186-L1206 HydrophobicContact CB-CD2 4.44Å
1187K86.3Confident83.6Confident97.8 Ų97.870.3 Ų70.343%0.42536%0.364SS..Hα-helixtrans-60-41.8172.1-168.7-177.7179.1-178.50111.9L1183 N1184 T1185 L1206 L1210L1183-K1187 WeakPolarHBondContact O-CB 3.35Å; L1183-K1187 PolarHBondContact O-N 3.13Å; N1184-K1187 VanDerWaalsContact O-CB 3.27Å; N1184-K1187 WeakPolarHBondContact O-CB 3.28Å; N1184-K1187 PolarHBondContact O-N 3.24Å; T1185-K1187 VanDerWaalsContact C-N 3.33Å; K1187-L1206 VanDerWaalsContact CA-CD2 3.44Å; K1187-L1206 HydrophobicContact CB-CD2 3.89Å; K1187-L1206 HydrophobicContact CG-CD2 4.36Å; K1187-L1210 HydrophobicContact CB-CD1 4.4Å; K1187-L1210 HydrophobicContact CD-CD1 4.09Å; K1187-L1210 HydrophobicContact CG-CD1 4.26Å
1188E86.4Confident83Confident99.8 Ų99.865.4 Ų65.447%0.46634%0.342SS..Hα-helixtrans-73.9-40.1175.9-64-52.8133.100112.1N1184 T1185 W1186 L1190 K1191N1184-E1188 PolarHBondContact O-N 3.27Å; N1184-E1188 VanDerWaalsContact O-N 3.12Å; T1185-E1188 PolarHBondContact O-N 3.17Å; W1186-E1188 VanDerWaalsContact C-N 3.32Å; W1186-E1188 PolarHBondContact O-N 3.13Å; E1188-L1190 VanDerWaalsContact C-N 3.34Å; E1188-L1190 PolarHBondContact O-N 3.18Å; E1188-K1191 WeakPolarHBondContact O-CB 3.28Å; E1188-K1191 PolarHBondContact O-N 3.19Å; E1188-K1191 VanDerWaalsContact O-N 3.16Å; E1188-K1191 IonicContact OE1-NZ 3.04Å; E1188-K1191 PolarHBondContact OE1-NZ 3.1Å; E1188-K1191 IonicContact OE2-NZ 2.86Å; E1188-K1191 PolarHBondContact OE2-NZ 3.15Å
1189K83.7Confident82.5Confident90.4 Ų90.463 Ų6339%0.39333%0.327SS..Hα-helixtrans-59.4-42.1176.1-77.4-176.8175.8-175.30112.8T1185 W1186 K1191 N1192 L1193T1185-K1189 HydrophobicContact CG2-CD 4.41Å; T1185-K1189 WeakPolarHBondContact O-CG 3.35Å; T1185-K1189 PolarHBondContact O-N 3.17Å; T1185-K1189 VanDerWaalsContact O-N 3.12Å; W1186-K1189 HydrophobicContact CD2-CD 4.34Å; W1186-K1189 HydrophobicContact CE3-CB 4.23Å; W1186-K1189 HydrophobicContact CE3-CD 4.28Å; W1186-K1189 HydrophobicContact CH2-CD 4.42Å; W1186-K1189 HydrophobicContact CZ2-CD 4.47Å; W1186-K1189 HydrophobicContact CZ3-CD 4.37Å; W1186-K1189 PolarHBondContact O-N 3.11Å; K1189-K1191 VanDerWaalsContact C-N 3.32Å; K1189-K1191 PolarHBondContact O-N 3.14Å; K1189-N1192 PolarHBondContact O-N 3.11Å; K1189-N1192 VanDerWaalsContact O-N 3.14Å; K1189-L1193 WeakPolarHBondContact O-CG 3.39Å; K1189-L1193 PolarHBondContact O-N 3.29Å
1190L82.6Confident82.1Confident23 Ų2364.5 Ų64.512%0.1234%0.343CS..Hα-helixtrans-64.9-27.5-179.7-91.9162.1000113.8W1186 E1188 N1192 L1193 T1199 V1202 Q1203 L1206W1186-L1190 WeakPolarHBondContact O-CB 3.38Å; W1186-L1190 PolarHBondContact O-N 3.14Å; E1188-L1190 VanDerWaalsContact C-N 3.34Å; E1188-L1190 PolarHBondContact O-N 3.18Å; L1190-N1192 VanDerWaalsContact C-N 3.28Å; L1190-N1192 PolarHBondContact O-N 3.09Å; L1190-L1193 PolarHBondContact O-N 3.14Å; L1190-T1199 HydrophobicContact CD2-CG2 4.47Å; L1190-T1199 WeakPolarHBondContact CD2-O 3.46Å; L1190-V1202 HydrophobicContact CD1-CB 4.32Å; L1190-V1202 HydrophobicContact CD1-CG1 3.9Å; L1190-V1202 HydrophobicContact CD2-CB 4.36Å; L1190-V1202 HydrophobicContact CD2-CG1 4.24Å; L1190-V1202 HydrophobicContact CG-CG1 4.41Å; L1190-Q1203 HydrophobicContact CD1-CB 4.18Å; L1190-Q1203 HydrophobicContact CD2-CB 4.33Å; L1190-L1206 HydrophobicContact CD1-CB 4.39Å; L1190-L1206 HydrophobicContact CD1-CD2 3.7Å
1191K82Confident81.6Confident131.6 Ų131.668.2 Ų68.257%0.57235%0.353SS*.Hα-helixtrans-65.4-27.2176.9-68.7177.2-169.4165.10113E1188 K1189E1188-K1191 WeakPolarHBondContact O-CB 3.28Å; E1188-K1191 PolarHBondContact O-N 3.19Å; E1188-K1191 VanDerWaalsContact O-N 3.16Å; E1188-K1191 IonicContact OE1-NZ 3.04Å; E1188-K1191 PolarHBondContact OE1-NZ 3.1Å; E1188-K1191 IonicContact OE2-NZ 2.86Å; E1188-K1191 PolarHBondContact OE2-NZ 3.15Å; K1189-K1191 VanDerWaalsContact C-N 3.32Å; K1189-K1191 PolarHBondContact O-N 3.14Å
1192N79.7Confident81.2Confident143.6 Ų143.663.9 Ų63.977%0.76833%0.33SS*.THydrogen-bonded Turntrans-96.8-1.9-175.1-62.8-27.7000113K1189 L1190K1189-N1192 PolarHBondContact O-N 3.11Å; K1189-N1192 VanDerWaalsContact O-N 3.14Å; L1190-N1192 VanDerWaalsContact C-N 3.28Å; L1190-N1192 PolarHBondContact O-N 3.09Å
1193L76.7Confident80.9Confident51.2 Ų51.267.4 Ų67.427%0.26835%0.347SS..SBendtrans-99.6141.9-177.1-72.8166.9000111.4P1153 K1189 L1190 V1195 T1199P1153-L1193 HydrophobicContact CB-CD1 3.73Å; P1153-L1193 HydrophobicContact CG-CD1 3.75Å; P1153-L1193 HydrophobicContact CG-CD2 3.9Å; P1153-L1193 HydrophobicContact CG-CG 4.45Å; K1189-L1193 WeakPolarHBondContact O-CG 3.39Å; K1189-L1193 PolarHBondContact O-N 3.29Å; L1190-L1193 PolarHBondContact O-N 3.14Å; L1193-V1195 PolarHBondContact O-N 3.06Å; L1193-T1199 HydrophobicContact CB-CG2 4.12Å; L1193-T1199 HydrophobicContact CD1-CG2 4.47Å
1194P72.9Confident80.6Confident96.8 Ų96.870.2 Ų70.263%0.62937%0.37SS*.  trans-64.7133.8176.325.2-31.8000110.9N1196 T1199P1194-N1196 PolarHBondContact O-N 3.07Å; P1194-N1196 VanDerWaalsContact O-N 3.12Å; P1194-T1199 PolarHBondContact O-OG1 3.27Å
1195V71.6Confident80.4Confident136.6 Ų136.668 Ų6883%0.82836%0.361SS*.  trans-68.5111.4-177.7-175.70000109.9L1193L1193-V1195 PolarHBondContact O-N 3.06Å
1196N75.1Confident80.3Confident39.6 Ų39.664.7 Ų64.721%0.21234%0.34CS..  trans-136.3175.8172.463.835.9000110.2P1194 V1198 T1199 G1200P1194-N1196 PolarHBondContact O-N 3.07Å; P1194-N1196 VanDerWaalsContact O-N 3.12Å; N1196-V1198 VanDerWaalsContact C-N 3.28Å; N1196-V1198 PolarHBondContact O-N 3.2Å; N1196-V1198 WeakPolarHBondContact OD1-CA 3.3Å; N1196-V1198 WeakPolarHBondContact OD1-CB 3.29Å; N1196-V1198 PolarHBondContact OD1-N 3.09Å; N1196-V1198 VanDerWaalsContact OD1-N 3.11Å; N1196-T1199 PolarHBondContact N-OG1 3.12Å; N1196-T1199 PolarHBondContact O-N 3.19Å; N1196-T1199 PolarHBondContact O-OG1 3.08Å; N1196-T1199 WeakPolarHBondContact OD1-CB 3.49Å; N1196-T1199 WeakPolarHBondContact OD1-CG2 3.42Å; N1196-T1199 PolarHBondContact OD1-N 3.21Å; N1196-T1199 PolarHBondContact OD1-OG1 3.27Å; N1196-G1200 PolarHBondContact O-N 3.24Å; N1196-G1200 VanDerWaalsContact O-N 3.09Å
1197F74.1Confident80.2Confident104.8 Ų104.868.5 Ų68.546%0.4636%0.361SS..Hα-helixtrans-59.1-35.2-178.6-89.1-78.8000113.1A1088 K1089 G1200 R1201A1088-F1197 HydrophobicContact CB-CB 4.08Å; A1088-F1197 HydrophobicContact CB-CD1 3.96Å; A1088-F1197 HydrophobicContact CB-CE1 4.01Å; A1088-F1197 WeakPolarHBondContact O-CE1 3.39Å; A1088-F1197 WeakPolarHBondContact O-CZ 3.19Å; K1089-F1197 HydrophobicContact CB-CD1 3.98Å; K1089-F1197 HydrophobicContact CB-CE1 4.27Å; K1089-F1197 HydrophobicContact CB-CE2 4.42Å; K1089-F1197 HydrophobicContact CB-CG 4.32Å; K1089-F1197 HydrophobicContact CD-CD1 4.22Å; K1089-F1197 HydrophobicContact CD-CE1 4.03Å; K1089-F1197 HydrophobicContact CD-CE2 4.4Å; K1089-F1197 HydrophobicContact CD-CZ 4.22Å; K1089-F1197 VanDerWaalsContact CE-CE2 3.4Å; K1089-F1197 HydrophobicContact CG-CD1 4.07Å; K1089-F1197 HydrophobicContact CG-CD2 4.34Å; K1089-F1197 HydrophobicContact CG-CE1 3.97Å; K1089-F1197 HydrophobicContact CG-CE2 4.01Å; K1089-F1197 HydrophobicContact CG-CG 4.49Å; K1089-F1197 HydrophobicContact CG-CZ 4.21Å; F1197-G1200 PolarHBondContact O-N 3.07Å; F1197-R1201 PolarHBondContact O-N 3.11Å; F1197-R1201 VanDerWaalsContact O-N 3.09Å
1198V74.6Confident80.2Confident9.6 Ų9.667.5 Ų67.56%0.05836%0.357CS..Hα-helixtrans-69.3-48-178.8179.20000111A1088 V1150 W1151 Y1154 N1196 G1200 R1201 V1202A1088-V1198 HydrophobicContact CB-CG2 3.72Å; V1150-V1198 HydrophobicContact CG1-CG2 4.36Å; W1151-V1198 HydrophobicContact CD2-CG2 4.24Å; W1151-V1198 HydrophobicContact CE3-CG1 4.39Å; W1151-V1198 HydrophobicContact CE3-CG2 4.28Å; W1151-V1198 HydrophobicContact CH2-CG2 4.25Å; W1151-V1198 HydrophobicContact CZ2-CG2 4.24Å; W1151-V1198 HydrophobicContact CZ3-CG2 4.18Å; Y1154-V1198 VanDerWaalsContact CB-CG1 3.41Å; Y1154-V1198 HydrophobicContact CD2-CG1 4.37Å; Y1154-V1198 HydrophobicContact CG-CG1 4.01Å; N1196-V1198 VanDerWaalsContact C-N 3.28Å; N1196-V1198 PolarHBondContact O-N 3.2Å; N1196-V1198 WeakPolarHBondContact OD1-CA 3.3Å; N1196-V1198 WeakPolarHBondContact OD1-CB 3.29Å; N1196-V1198 PolarHBondContact OD1-N 3.09Å; N1196-V1198 VanDerWaalsContact OD1-N 3.11Å; V1198-G1200 VanDerWaalsContact C-N 3.3Å; V1198-G1200 PolarHBondContact O-N 3.15Å; V1198-R1201 WeakPolarHBondContact O-CB 3.3Å; V1198-R1201 PolarHBondContact O-N 3.21Å; V1198-R1201 VanDerWaalsContact O-N 3.08Å; V1198-V1202 PolarHBondContact O-N 3.18Å
1199T77.7Confident80.3Confident7 Ų764.2 Ų64.24%0.04334%0.34CS..Hα-helixtrans-65.4-33.4174.955.60000112.1L1190 L1193 P1194 N1196 R1201 V1202 Q1203L1190-T1199 HydrophobicContact CD2-CG2 4.47Å; L1190-T1199 WeakPolarHBondContact CD2-O 3.46Å; L1193-T1199 HydrophobicContact CB-CG2 4.12Å; L1193-T1199 HydrophobicContact CD1-CG2 4.47Å; P1194-T1199 PolarHBondContact O-OG1 3.27Å; N1196-T1199 PolarHBondContact N-OG1 3.12Å; N1196-T1199 PolarHBondContact O-N 3.19Å; N1196-T1199 PolarHBondContact O-OG1 3.08Å; N1196-T1199 WeakPolarHBondContact OD1-CB 3.49Å; N1196-T1199 WeakPolarHBondContact OD1-CG2 3.42Å; N1196-T1199 PolarHBondContact OD1-N 3.21Å; N1196-T1199 PolarHBondContact OD1-OG1 3.27Å; T1199-R1201 VanDerWaalsContact C-N 3.31Å; T1199-R1201 PolarHBondContact O-N 3.35Å; T1199-V1202 PolarHBondContact O-N 3.24Å; T1199-Q1203 VanDerWaalsContact O-CB 3.3Å; T1199-Q1203 WeakPolarHBondContact O-CB 3.32Å; T1199-Q1203 PolarHBondContact O-N 3.27Å; T1199-Q1203 VanDerWaalsContact O-N 3.11Å
1200G79.8Confident80.4Confident31.8 Ų31.861.8 Ų61.833%0.32833%0.332SS..Hα-helixtrans-61.1-37.217500000113.1N1196 F1197 V1198 Q1203 A1204N1196-G1200 PolarHBondContact O-N 3.24Å; N1196-G1200 VanDerWaalsContact O-N 3.09Å; F1197-G1200 PolarHBondContact O-N 3.07Å; V1198-G1200 VanDerWaalsContact C-N 3.3Å; V1198-G1200 PolarHBondContact O-N 3.15Å; G1200-Q1203 PolarHBondContact O-N 3.12Å; G1200-A1204 WeakPolarHBondContact O-CB 3.48Å; G1200-A1204 PolarHBondContact O-N 2.91Å
1201R77Confident80.6Confident94.2 Ų94.263.1 Ų63.136%0.35535%0.346SS..Hα-helixtrans-70.6-41.4175.9-123.7178.8-179.6141.6-0.7112.6L1091 E1093 L1096 F1197 V1198 T1199 Q1203 A1204 S1205L1091-R1201 PolarHBondContact O-NH1 3.38Å; L1091-R1201 PolarHBondContact O-NH2 3.2Å; L1091-R1201 VanDerWaalsContact O-NH2 3.09Å; E1093-R1201 IonicContact OE1-NH2 3.47Å; L1096-R1201 HydrophobicContact CD1-CG 4.41Å; F1197-R1201 PolarHBondContact O-N 3.11Å; F1197-R1201 VanDerWaalsContact O-N 3.09Å; V1198-R1201 WeakPolarHBondContact O-CB 3.3Å; V1198-R1201 PolarHBondContact O-N 3.21Å; V1198-R1201 VanDerWaalsContact O-N 3.08Å; T1199-R1201 VanDerWaalsContact C-N 3.31Å; T1199-R1201 PolarHBondContact O-N 3.35Å; R1201-Q1203 VanDerWaalsContact C-N 3.3Å; R1201-Q1203 PolarHBondContact O-N 3.21Å; R1201-A1204 PolarHBondContact O-N 3.22Å; R1201-S1205 PolarHBondContact O-N 3.1Å; R1201-S1205 PolarHBondContact O-OG 3.28Å
1202V82.2Confident80.8Confident1.6 Ų1.656.8 Ų56.81%0.0132%0.318CS..Hα-helixtrans-60.8-42.2173.5-178.40000110.4Y1154 F1157 W1186 L1190 V1198 T1199 A1204 S1205 L1206Y1154-V1202 HydrophobicContact CD2-CG2 4.02Å; Y1154-V1202 HydrophobicContact CG-CG2 4.35Å; F1157-V1202 HydrophobicContact CB-CG1 3.94Å; F1157-V1202 HydrophobicContact CB-CG2 4.42Å; F1157-V1202 HydrophobicContact CD1-CG1 3.9Å; F1157-V1202 HydrophobicContact CD1-CG2 4.42Å; F1157-V1202 HydrophobicContact CD2-CG1 3.82Å; F1157-V1202 HydrophobicContact CE1-CG1 4.35Å; F1157-V1202 HydrophobicContact CE2-CG1 4.27Å; F1157-V1202 HydrophobicContact CG-CG1 3.61Å; F1157-V1202 HydrophobicContact CG-CG2 4.49Å; F1157-V1202 HydrophobicContact CZ-CG1 4.38Å; W1186-V1202 HydrophobicContact CE3-CG1 4.19Å; W1186-V1202 HydrophobicContact CZ3-CG1 4.35Å; L1190-V1202 HydrophobicContact CD1-CB 4.32Å; L1190-V1202 HydrophobicContact CD1-CG1 3.9Å; L1190-V1202 HydrophobicContact CD2-CB 4.36Å; L1190-V1202 HydrophobicContact CD2-CG1 4.24Å; L1190-V1202 HydrophobicContact CG-CG1 4.41Å; V1198-V1202 PolarHBondContact O-N 3.18Å; T1199-V1202 PolarHBondContact O-N 3.24Å; V1202-A1204 PolarHBondContact O-N 3.15Å; V1202-S1205 PolarHBondContact O-N 3.16Å; V1202-L1206 VanDerWaalsContact O-CB 3.28Å; V1202-L1206 WeakPolarHBondContact O-CB 3.23Å; V1202-L1206 PolarHBondContact O-N 3.12Å
1203Q83.2Confident81.1Confident94 Ų9452 Ų5244%0.43929%0.292SS..Hα-helixtrans-64.2-39.7177.8-171.7172.66.800112.7L1190 T1199 G1200 R1201 L1206 N1207L1190-Q1203 HydrophobicContact CD1-CB 4.18Å; L1190-Q1203 HydrophobicContact CD2-CB 4.33Å; T1199-Q1203 VanDerWaalsContact O-CB 3.3Å; T1199-Q1203 WeakPolarHBondContact O-CB 3.32Å; T1199-Q1203 PolarHBondContact O-N 3.27Å; T1199-Q1203 VanDerWaalsContact O-N 3.11Å; G1200-Q1203 PolarHBondContact O-N 3.12Å; R1201-Q1203 VanDerWaalsContact C-N 3.3Å; R1201-Q1203 PolarHBondContact O-N 3.21Å; Q1203-L1206 PolarHBondContact O-N 2.94Å; Q1203-N1207 WeakPolarHBondContact O-CB 3.38Å; Q1203-N1207 VanDerWaalsContact O-CG 3.29Å; Q1203-N1207 PolarHBondContact O-N 2.99Å; Q1203-N1207 VanDerWaalsContact O-N 3.1Å; Q1203-N1207 PolarHBondContact O-ND2 3.05Å
1204A83.1Confident81.4Confident57.8 Ų57.853 Ų5348%0.47830%0.302SS..Hα-helixtrans-62.3-46.8175.400000111.8G1200 R1201 V1202 N1207 K1208G1200-A1204 WeakPolarHBondContact O-CB 3.48Å; G1200-A1204 PolarHBondContact O-N 2.91Å; R1201-A1204 PolarHBondContact O-N 3.22Å; V1202-A1204 PolarHBondContact O-N 3.15Å; A1204-N1207 PolarHBondContact O-N 3.19Å; A1204-K1208 WeakPolarHBondContact O-CB 3.44Å; A1204-K1208 PolarHBondContact O-N 3.32Å
1205S82.7Confident82Confident32.8 Ų32.850.4 Ų50.423%0.22928%0.281CS..Hα-helixtrans-64.2-41.6176.7-60.60000112.1R1201 V1202 N1207 K1208 Y1209R1201-S1205 PolarHBondContact O-N 3.1Å; R1201-S1205 PolarHBondContact O-OG 3.28Å; V1202-S1205 PolarHBondContact O-N 3.16Å; S1205-N1207 PolarHBondContact O-N 2.92Å; S1205-K1208 WeakPolarHBondContact O-CB 3.12Å; S1205-K1208 PolarHBondContact O-N 3.34Å; S1205-Y1209 WeakPolarHBondContact O-CD2 3.34Å; S1205-Y1209 PolarHBondContact O-N 3.04Å
1206L86.7Confident82.7Confident3.8 Ų3.843.9 Ų43.92%0.0224%0.242CC..Hα-helixtrans-60.9-46.6177.2-17678000111.8F1157 L1183 W1186 K1187 L1190 V1202 Q1203 K1208 Y1209 L1210F1157-L1206 HydrophobicContact CE2-CB 4.48Å; F1157-L1206 HydrophobicContact CE2-CD1 4.25Å; F1157-L1206 HydrophobicContact CZ-CB 4.37Å; L1183-L1206 HydrophobicContact CB-CD1 4.13Å; L1183-L1206 HydrophobicContact CD2-CD1 3.86Å; L1183-L1206 HydrophobicContact CG-CD1 4.33Å; L1183-L1206 VanDerWaalsContact O-CD1 3.31Å; L1183-L1206 WeakPolarHBondContact O-CD1 3.35Å; W1186-L1206 HydrophobicContact CB-CD1 4.04Å; W1186-L1206 HydrophobicContact CB-CD2 4.44Å; K1187-L1206 VanDerWaalsContact CA-CD2 3.44Å; K1187-L1206 HydrophobicContact CB-CD2 3.89Å; K1187-L1206 HydrophobicContact CG-CD2 4.36Å; L1190-L1206 HydrophobicContact CD1-CB 4.39Å; L1190-L1206 HydrophobicContact CD1-CD2 3.7Å; V1202-L1206 VanDerWaalsContact O-CB 3.28Å; V1202-L1206 WeakPolarHBondContact O-CB 3.23Å; V1202-L1206 PolarHBondContact O-N 3.12Å; Q1203-L1206 PolarHBondContact O-N 2.94Å; L1206-K1208 VanDerWaalsContact C-N 3.31Å; L1206-K1208 PolarHBondContact O-N 3.06Å; L1206-Y1209 PolarHBondContact O-N 3.22Å; L1206-L1210 HydrophobicContact CD1-CD1 4.12Å; L1206-L1210 HydrophobicContact CD1-CG 4.23Å; L1206-L1210 HydrophobicContact CD2-CD1 4.16Å; L1206-L1210 HydrophobicContact CG-CD1 3.89Å; L1206-L1210 HydrophobicContact CG-CG 4.38Å; L1206-L1210 VanDerWaalsContact O-CB 3.31Å; L1206-L1210 WeakPolarHBondContact O-CB 3.38Å; L1206-L1210 VanDerWaalsContact O-CG 3.29Å; L1206-L1210 WeakPolarHBondContact O-CG 3.27Å; L1206-L1210 PolarHBondContact O-N 2.97Å
1207N85.9Confident83Confident91 Ų9147.9 Ų47.949%0.48726%0.257SS..Hα-helixtrans-61.9-40.1178.6-72.9-19.5000111.7Q1203 A1204 S1205 L1210 A1211Q1203-N1207 WeakPolarHBondContact O-CB 3.38Å; Q1203-N1207 VanDerWaalsContact O-CG 3.29Å; Q1203-N1207 PolarHBondContact O-N 2.99Å; Q1203-N1207 VanDerWaalsContact O-N 3.1Å; Q1203-N1207 PolarHBondContact O-ND2 3.05Å; A1204-N1207 PolarHBondContact O-N 3.19Å; S1205-N1207 PolarHBondContact O-N 2.92Å; N1207-L1210 PolarHBondContact O-N 2.82Å; N1207-A1211 WeakPolarHBondContact O-CB 3.37Å; N1207-A1211 PolarHBondContact O-N 3.26Å
1208K85.9Confident83.3Confident75.8 Ų75.845.2 Ų45.233%0.3325%0.246SC..Hα-helixtrans-60.4-46.4176.1-179.1168.2177.1158.50112A1204 S1205 L1206 A1211 L1212 S1256 D1257A1204-K1208 WeakPolarHBondContact O-CB 3.44Å; A1204-K1208 PolarHBondContact O-N 3.32Å; S1205-K1208 WeakPolarHBondContact O-CB 3.12Å; S1205-K1208 PolarHBondContact O-N 3.34Å; L1206-K1208 VanDerWaalsContact C-N 3.31Å; L1206-K1208 PolarHBondContact O-N 3.06Å; K1208-A1211 PolarHBondContact O-N 3.05Å; K1208-L1212 PolarHBondContact O-N 3.28Å; K1208-L1212 VanDerWaalsContact O-N 3.12Å; K1208-S1256 WeakPolarHBondContact CE-OG 3.41Å; K1208-S1256 PolarHBondContact NZ-OG 2.98Å; K1208-D1257 VanDerWaalsContact CE-OD1 3.28Å; K1208-D1257 WeakPolarHBondContact CE-OD1 3.35Å; K1208-D1257 VanDerWaalsContact NZ-CG 3.32Å; K1208-D1257 IonicContact NZ-OD1 3.34Å; K1208-D1257 PolarHBondContact NZ-OD1 3.01Å; K1208-D1257 IonicContact NZ-OD2 3.28Å; K1208-D1257 PolarHBondContact NZ-OD2 3.23Å
1209Y88.1Confident83.7Confident31 Ų3144.8 Ų44.812%0.12224%0.243CC..Hα-helixtrans-77.7-30.4-179.1-60.2-46.6000114F1157 L1161 F1179 L1183 S1205 L1206 A1211 L1212 L1213 L1253F1157-Y1209 HydrophobicContact CZ-CD2 4.49Å; L1161-Y1209 HydrophobicContact CD1-CD2 4.26Å; L1161-Y1209 HydrophobicContact CD1-CE2 3.96Å; L1161-Y1209 HydrophobicContact CD2-CD2 4.26Å; L1161-Y1209 HydrophobicContact CD2-CE2 3.6Å; L1161-Y1209 VanDerWaalsContact CD2-CE2 3.48Å; L1161-Y1209 HydrophobicContact CG-CE2 4.43Å; F1179-Y1209 HydrophobicContact CZ-CD1 4.47Å; F1179-Y1209 HydrophobicContact CZ-CG 4.29Å; L1183-Y1209 HydrophobicContact CD2-CD2 4.44Å; L1183-Y1209 HydrophobicContact CD2-CG 4.47Å; S1205-Y1209 WeakPolarHBondContact O-CD2 3.34Å; S1205-Y1209 PolarHBondContact O-N 3.04Å; L1206-Y1209 PolarHBondContact O-N 3.22Å; Y1209-A1211 VanDerWaalsContact C-N 3.3Å; Y1209-A1211 PolarHBondContact O-N 3.38Å; Y1209-L1212 HydrophobicContact CD1-CD2 4.4Å; Y1209-L1212 WeakPolarHBondContact O-CB 3.43Å; Y1209-L1212 PolarHBondContact O-N 3.15Å; Y1209-L1213 PolarHBondContact O-N 3.14Å; Y1209-L1213 VanDerWaalsContact O-N 3.14Å; Y1209-L1253 HydrophobicContact CD1-CD2 3.69Å; Y1209-L1253 HydrophobicContact CE1-CB 3.86Å; Y1209-L1253 HydrophobicContact CE1-CD1 4.44Å; Y1209-L1253 HydrophobicContact CE1-CD2 3.73Å; Y1209-L1253 HydrophobicContact CE1-CG 4.24Å; Y1209-L1253 HydrophobicContact CG-CD2 4.4Å
1210L86.4Confident83.9Confident40.4 Ų40.446.9 Ų46.921%0.21225%0.254CS..Hα-helixtrans-64.1-36.5170.6-78.1172.2000111.8L1183 K1187 L1206 N1207 L1212 P1214L1183-L1210 HydrophobicContact CB-CD2 3.78Å; L1183-L1210 HydrophobicContact CB-CG 4.29Å; L1183-L1210 HydrophobicContact CD1-CD2 4.23Å; L1183-L1210 HydrophobicContact CD1-CG 4.46Å; K1187-L1210 HydrophobicContact CB-CD1 4.4Å; K1187-L1210 HydrophobicContact CD-CD1 4.09Å; K1187-L1210 HydrophobicContact CG-CD1 4.26Å; L1206-L1210 HydrophobicContact CD1-CD1 4.12Å; L1206-L1210 HydrophobicContact CD1-CG 4.23Å; L1206-L1210 HydrophobicContact CD2-CD1 4.16Å; L1206-L1210 HydrophobicContact CG-CD1 3.89Å; L1206-L1210 HydrophobicContact CG-CG 4.38Å; L1206-L1210 VanDerWaalsContact O-CB 3.31Å; L1206-L1210 WeakPolarHBondContact O-CB 3.38Å; L1206-L1210 VanDerWaalsContact O-CG 3.29Å; L1206-L1210 WeakPolarHBondContact O-CG 3.27Å; L1206-L1210 PolarHBondContact O-N 2.97Å; N1207-L1210 PolarHBondContact O-N 2.82Å; L1210-L1212 VanDerWaalsContact C-N 3.32Å; L1210-P1214 VanDerWaalsContact O-CD 3.28Å; L1210-P1214 WeakPolarHBondContact O-CD 3.3Å
1211A85.9Confident83.8Confident50.2 Ų50.245.6 Ų45.642%0.41524%0.24SC..Hα-helixtrans-67-33.3173.200000112.3N1207 K1208 Y1209 P1214 H1215 I1260N1207-A1211 WeakPolarHBondContact O-CB 3.37Å; N1207-A1211 PolarHBondContact O-N 3.26Å; K1208-A1211 PolarHBondContact O-N 3.05Å; Y1209-A1211 VanDerWaalsContact C-N 3.3Å; Y1209-A1211 PolarHBondContact O-N 3.38Å; A1211-P1214 WeakPolarHBondContact O-CD 3.36Å; A1211-H1215 PolarHBondContact O-CD2 3.02Å; A1211-H1215 PolarHBondContact O-NE2 2.87Å; A1211-I1260 HydrophobicContact CB-CD1 4.18Å
1212L87.1Confident83.9Confident0 Ų048.1 Ų48.10%026%0.255CS..Hα-helixtrans-72-34.4178.4-178.365.1000113.5K1208 Y1209 L1210 H1215 L1216 L1253 I1259 I1260K1208-L1212 PolarHBondContact O-N 3.28Å; K1208-L1212 VanDerWaalsContact O-N 3.12Å; Y1209-L1212 HydrophobicContact CD1-CD2 4.4Å; Y1209-L1212 WeakPolarHBondContact O-CB 3.43Å; Y1209-L1212 PolarHBondContact O-N 3.15Å; L1210-L1212 VanDerWaalsContact C-N 3.32Å; L1212-H1215 WeakPolarHBondContact O-CA 3.38Å; L1212-H1215 VanDerWaalsContact O-CB 3.28Å; L1212-H1215 WeakPolarHBondContact O-CB 3.39Å; L1212-H1215 PolarHBondContact O-N 3.12Å; L1212-L1216 HydrophobicContact CD1-CD2 4.39Å; L1212-L1216 HydrophobicContact CD1-CG 4.47Å; L1212-L1216 HydrophobicContact CD2-CD1 4.42Å; L1212-L1216 HydrophobicContact CD2-CD2 4.23Å; L1212-L1216 HydrophobicContact CD2-CG 4.42Å; L1212-L1216 HydrophobicContact CG-CD1 4.36Å; L1212-L1216 HydrophobicContact CG-CD2 4.12Å; L1212-L1216 HydrophobicContact CG-CG 4.04Å; L1212-L1216 PolarHBondContact O-N 3.13Å; L1212-L1216 VanDerWaalsContact O-N 3.14Å; L1212-L1253 HydrophobicContact CD2-CD2 4.03Å; L1212-I1259 HydrophobicContact CD1-CB 3.73Å; L1212-I1259 HydrophobicContact CD1-CD1 3.86Å; L1212-I1259 HydrophobicContact CD1-CG1 4.38Å; L1212-I1259 HydrophobicContact CD1-CG2 3.59Å; L1212-I1260 HydrophobicContact CB-CD1 4.43Å; L1212-I1260 HydrophobicContact CD1-CG1 4.31Å
1213L85.6Confident83.8Confident42.2 Ų42.250.7 Ų50.722%0.22127%0.267CS..Hα-helixtrans-53.6-45.2-168.7-171.5111.7000115F1179 A1180 L1183 Y1209 H1215 L1216F1179-L1213 HydrophobicContact CD1-CD1 4.18Å; A1180-L1213 VanDerWaalsContact CA-CD1 3.48Å; A1180-L1213 HydrophobicContact CB-CD1 3.72Å; A1180-L1213 HydrophobicContact CB-CD2 3.92Å; A1180-L1213 HydrophobicContact CB-CG 4.45Å; L1183-L1213 HydrophobicContact CD1-CB 4.43Å; L1183-L1213 HydrophobicContact CD1-CD1 3.94Å; Y1209-L1213 PolarHBondContact O-N 3.14Å; Y1209-L1213 VanDerWaalsContact O-N 3.14Å; L1213-H1215 PolarHBondContact O-N 3.29Å; L1213-H1215 VanDerWaalsContact O-N 3.15Å; L1213-L1216 HydrophobicContact CD1-CD1 4.48Å; L1213-L1216 PolarHBondContact O-N 3.28Å
1214P83.8Confident83.8Confident73 Ų7347.1 Ų47.147%0.47425%0.25SS..Hα-helixtrans-64.5-19.8177.3-21.134.1000114.1L1210 A1211 K1217L1210-P1214 VanDerWaalsContact O-CD 3.28Å; L1210-P1214 WeakPolarHBondContact O-CD 3.3Å; A1211-P1214 WeakPolarHBondContact O-CD 3.36Å; P1214-K1217 VanDerWaalsContact O-CD 3.31Å; P1214-K1217 WeakPolarHBondContact O-CD 3.25Å; P1214-K1217 WeakPolarHBondContact O-CE 3.34Å; P1214-K1217 VanDerWaalsContact O-CG 3.26Å; P1214-K1217 WeakPolarHBondContact O-CG 3.31Å
1215H85.9Confident83.6Confident41.4 Ų41.446.2 Ų46.219%0.19224%0.238CC..Hα-helixtrans-87.5-29.7-178.5-58.3-59.9000112.5A1211 L1212 L1213 K1217 F1218 I1259 I1263A1211-H1215 PolarHBondContact O-CD2 3.02Å; A1211-H1215 PolarHBondContact O-NE2 2.87Å; L1212-H1215 WeakPolarHBondContact O-CA 3.38Å; L1212-H1215 VanDerWaalsContact O-CB 3.28Å; L1212-H1215 WeakPolarHBondContact O-CB 3.39Å; L1212-H1215 PolarHBondContact O-N 3.12Å; L1213-H1215 PolarHBondContact O-N 3.29Å; L1213-H1215 VanDerWaalsContact O-N 3.15Å; H1215-K1217 PolarHBondContact O-N 3.23Å; H1215-K1217 VanDerWaalsContact O-N 3.14Å; H1215-F1218 WeakPolarHBondContact O-CB 3.26Å; H1215-F1218 PolarHBondContact O-N 3.11Å; H1215-F1218 VanDerWaalsContact O-N 3.11Å; H1215-I1259 HydrophobicContact CB-CG2 3.88Å; H1215-I1263 HydrophobicContact CB-CD1 3.82Å; H1215-I1263 HydrophobicContact CB-CG1 4.41Å; H1215-I1263 WeakPolarHBondContact ND1-CD1 3.37Å; H1215-I1263 VanDerWaalsContact ND1-CG1 3.32Å; H1215-I1263 WeakPolarHBondContact ND1-CG1 3.32Å
1216L84.6Confident83.4Confident0.2 Ų0.247.6 Ų47.60%0.00125%0.247CC..Hα-helixtrans-59.8-26.4-179.8-69.1175.8000113.5W1169 L1176 F1179 L1212 L1213 F1218 C1219 I1220 L1252 I1259W1169-L1216 HydrophobicContact CH2-CB 4.39Å; W1169-L1216 HydrophobicContact CH2-CD2 4.08Å; L1176-L1216 HydrophobicContact CD1-CB 3.83Å; L1176-L1216 HydrophobicContact CD1-CD1 4.23Å; L1176-L1216 HydrophobicContact CD1-CG 4.49Å; L1176-L1216 HydrophobicContact CD2-CB 4.21Å; L1176-L1216 HydrophobicContact CD2-CD1 4.34Å; L1176-L1216 HydrophobicContact CG-CB 4.48Å; F1179-L1216 HydrophobicContact CD1-CD1 4.16Å; F1179-L1216 HydrophobicContact CE1-CD1 4.16Å; L1212-L1216 HydrophobicContact CD1-CD2 4.39Å; L1212-L1216 HydrophobicContact CD1-CG 4.47Å; L1212-L1216 HydrophobicContact CD2-CD1 4.42Å; L1212-L1216 HydrophobicContact CD2-CD2 4.23Å; L1212-L1216 HydrophobicContact CD2-CG 4.42Å; L1212-L1216 HydrophobicContact CG-CD1 4.36Å; L1212-L1216 HydrophobicContact CG-CD2 4.12Å; L1212-L1216 HydrophobicContact CG-CG 4.04Å; L1212-L1216 PolarHBondContact O-N 3.13Å; L1212-L1216 VanDerWaalsContact O-N 3.14Å; L1213-L1216 HydrophobicContact CD1-CD1 4.48Å; L1213-L1216 PolarHBondContact O-N 3.28Å; L1216-F1218 PolarHBondContact O-N 3.28Å; L1216-F1218 VanDerWaalsContact O-N 3.16Å; L1216-C1219 CarbonylContact O-C 3.58Å; L1216-C1219 WeakPolarHBondContact O-CA 3.38Å; L1216-C1219 VanDerWaalsContact O-CB 3.29Å; L1216-C1219 WeakPolarHBondContact O-CB 3.36Å; L1216-C1219 PolarHBondContact O-N 3.2Å; L1216-I1220 PolarHBondContact O-N 3.1Å; L1216-L1252 HydrophobicContact CD2-CB 4.5Å; L1216-L1252 HydrophobicContact CD2-CD1 4.42Å; L1216-I1259 HydrophobicContact CD2-CD1 4.5Å
1217K82.7Confident83.1Confident123.2 Ų123.252.7 Ų52.754%0.53628%0.275SS..THydrogen-bonded Turntrans-59.4-28174.489.1-174.7179.5178.80113.5P1214 H1215 C1219 I1220P1214-K1217 VanDerWaalsContact O-CD 3.31Å; P1214-K1217 WeakPolarHBondContact O-CD 3.25Å; P1214-K1217 WeakPolarHBondContact O-CE 3.34Å; P1214-K1217 VanDerWaalsContact O-CG 3.26Å; P1214-K1217 WeakPolarHBondContact O-CG 3.31Å; H1215-K1217 PolarHBondContact O-N 3.23Å; H1215-K1217 VanDerWaalsContact O-N 3.14Å; K1217-C1219 VanDerWaalsContact C-N 3.31Å; K1217-I1220 HydrophobicContact CG-CD1 4.44Å; K1217-I1220 VanDerWaalsContact O-CD1 3.28Å; K1217-I1220 WeakPolarHBondContact O-CD1 3.4Å; K1217-I1220 WeakPolarHBondContact O-CG1 3.36Å
1218F81.2Confident83Confident48.6 Ų48.649.1 Ų49.121%0.21326%0.255CS..THydrogen-bonded Turntrans-86.9-8.9176.4-58.2-75.5000112.6H1215 L1216 I1263 I1266 K1267H1215-F1218 WeakPolarHBondContact O-CB 3.26Å; H1215-F1218 PolarHBondContact O-N 3.11Å; H1215-F1218 VanDerWaalsContact O-N 3.11Å; L1216-F1218 PolarHBondContact O-N 3.28Å; L1216-F1218 VanDerWaalsContact O-N 3.16Å; F1218-I1263 HydrophobicContact CB-CD1 4.35Å; F1218-I1263 HydrophobicContact CD2-CD1 3.85Å; F1218-I1263 HydrophobicContact CE2-CD1 4.43Å; F1218-I1263 HydrophobicContact CG-CD1 4.4Å; F1218-I1266 HydrophobicContact CB-CG2 3.99Å; F1218-I1266 WeakPolarHBondContact O-CG2 3.41Å; F1218-K1267 HydrophobicContact CD1-CG 3.87Å; F1218-K1267 HydrophobicContact CD2-CG 4.27Å; F1218-K1267 HydrophobicContact CE1-CD 4.38Å; F1218-K1267 HydrophobicContact CE1-CG 3.98Å; F1218-K1267 HydrophobicContact CE2-CD 4.45Å; F1218-K1267 HydrophobicContact CE2-CG 4.36Å; F1218-K1267 HydrophobicContact CG-CG 4.01Å; F1218-K1267 HydrophobicContact CZ-CD 4.28Å; F1218-K1267 VanDerWaalsContact CZ-CE 3.44Å; F1218-K1267 HydrophobicContact CZ-CG 4.23Å
1219C81.9Confident83Confident0 Ų046.2 Ų46.20%024%0.242CC..SBendtrans-92.81.3178.6-59.40000112.9W1169 L1216 K1217 G1221 F1232W1169-C1219 HydrophobicContact CH2-CB 4.48Å; W1169-C1219 HydrophobicContact CZ2-CB 3.78Å; W1169-C1219 WeakPolarHBondContact CZ2-O 3.28Å; W1169-C1219 PolarHBondContact NE1-O 3.18Å; W1169-C1219 VanDerWaalsContact NE1-O 3.08Å; L1216-C1219 CarbonylContact O-C 3.58Å; L1216-C1219 WeakPolarHBondContact O-CA 3.38Å; L1216-C1219 VanDerWaalsContact O-CB 3.29Å; L1216-C1219 WeakPolarHBondContact O-CB 3.36Å; L1216-C1219 PolarHBondContact O-N 3.2Å; K1217-C1219 VanDerWaalsContact C-N 3.31Å; C1219-G1221 VanDerWaalsContact C-N 3.32Å; C1219-G1221 PolarHBondContact O-N 3.08Å; C1219-F1232 HydrophobicContact CB-CE2 4.11Å; C1219-F1232 HydrophobicContact CB-CZ 3.68Å
1220I82.7Confident82.8Confident52.6 Ų52.649.3 Ų49.327%0.2726%0.264SS..SBendtrans-63.3-37-179.8-63.5174.2000111.2R1173 L1176 L1216 K1217 E1222 W1229R1173-I1220 HydrophobicContact CB-CG1 4.49Å; R1173-I1220 HydrophobicContact CB-CG2 4.35Å; R1173-I1220 WeakPolarHBondContact CD-O 3.27Å; R1173-I1220 HydrophobicContact CG-CG2 4.3Å; R1173-I1220 PolarHBondContact NH1-O 3.3Å; L1176-I1220 HydrophobicContact CD1-CD1 3.95Å; L1176-I1220 HydrophobicContact CD1-CG1 3.99Å; L1216-I1220 PolarHBondContact O-N 3.1Å; K1217-I1220 HydrophobicContact CG-CD1 4.44Å; K1217-I1220 VanDerWaalsContact O-CD1 3.28Å; K1217-I1220 WeakPolarHBondContact O-CD1 3.4Å; K1217-I1220 WeakPolarHBondContact O-CG1 3.36Å; I1220-E1222 VanDerWaalsContact C-N 3.34Å; I1220-E1222 HydrophobicContact CG2-CB 4.28Å; I1220-E1222 PolarHBondContact O-N 3.1Å; I1220-W1229 WeakPolarHBondContact O-CH2 3.37Å
1221G77.6Confident82.6Confident2.8 Ų2.850.7 Ų50.73%0.02927%0.269CS..  trans61.939.1177.300000113.8R1173 C1219 H1223 F1224 W1229R1173-G1221 PolarHBondContact NH1-O 2.94Å; C1219-G1221 VanDerWaalsContact C-N 3.32Å; C1219-G1221 PolarHBondContact O-N 3.08Å; G1221-H1223 VanDerWaalsContact C-N 3.29Å; G1221-H1223 PolarHBondContact O-N 2.97Å; G1221-F1224 VanDerWaalsContact CA-CD2 3.44Å; G1221-F1224 WeakPolarHBondContact O-CB 3.49Å; G1221-F1224 PolarHBondContact O-N 3.1Å; G1221-F1224 VanDerWaalsContact O-N 3.12Å; G1221-W1229 WeakPolarHBondContact O-CZ2 3.31Å
1222E79Confident82.7Confident147.4 Ų147.448.3 Ų48.369%0.68925%0.249SC*.THydrogen-bonded Turntrans-59-37.5-178.3-174.4174.5178.800112.7I1220I1220-E1222 VanDerWaalsContact C-N 3.34Å; I1220-E1222 HydrophobicContact CG2-CB 4.28Å; I1220-E1222 PolarHBondContact O-N 3.1Å
1223H79.1Confident82.5Confident55.6 Ų55.649.2 Ų49.226%0.25726%0.255SS..THydrogen-bonded Turntrans-99.15-179.3-53-44.3000113.6G1221 A1273 V1277G1221-H1223 VanDerWaalsContact C-N 3.29Å; G1221-H1223 PolarHBondContact O-N 2.97Å; H1223-A1273 HydrophobicContact CB-CB 3.97Å; H1223-A1273 WeakPolarHBondContact O-CB 3.31Å; H1223-V1277 HydrophobicContact CB-CG2 4.1Å
1224F83.2Confident82.4Confident18.8 Ų18.854.8 Ų54.88%0.08227%0.273CS..  trans-75.2131.2-175.9-73.12.9000111.5G1221 H1228 W1229 F1232 L1269 N1270 A1273G1221-F1224 VanDerWaalsContact CA-CD2 3.44Å; G1221-F1224 WeakPolarHBondContact O-CB 3.49Å; G1221-F1224 PolarHBondContact O-N 3.1Å; G1221-F1224 VanDerWaalsContact O-N 3.12Å; F1224-H1228 HydrophobicContact CB-CB 3.7Å; F1224-H1228 HydrophobicContact CD1-CB 3.88Å; F1224-H1228 HydrophobicContact CD2-CB 4.31Å; F1224-H1228 HydrophobicContact CE1-CB 4.47Å; F1224-H1228 HydrophobicContact CG-CB 3.71Å; F1224-W1229 HydrophobicContact CB-CD2 4.17Å; F1224-W1229 HydrophobicContact CB-CG 4.21Å; F1224-W1229 HydrophobicContact CB-CZ2 4.2Å; F1224-W1229 AromaticContact CD2-CD2 3.92Å; F1224-W1229 HydrophobicContact CD2-CD2 3.92Å; F1224-W1229 AromaticContact CD2-CE2 3.95Å; F1224-W1229 AromaticContact CD2-CE3 3.85Å; F1224-W1229 HydrophobicContact CD2-CE3 4.01Å; F1224-W1229 HydrophobicContact CD2-CG 4.44Å; F1224-W1229 HydrophobicContact CD2-CH2 4.19Å; F1224-W1229 HydrophobicContact CD2-CZ2 4.11Å; F1224-W1229 HydrophobicContact CD2-CZ3 4.14Å; F1224-W1229 HydrophobicContact CE2-CE3 4.47Å; F1224-W1229 HydrophobicContact CE2-CZ3 4.38Å; F1224-W1229 HydrophobicContact CG-CD2 4.48Å; F1224-W1229 HydrophobicContact CG-CZ2 4.45Å; F1224-W1229 PolarHBondContact O-NE1 2.94Å; F1224-F1232 HydrophobicContact CD2-CB 4.38Å; F1224-F1232 HydrophobicContact CD2-CG 4.48Å; F1224-F1232 HydrophobicContact CE2-CB 3.92Å; F1224-F1232 HydrophobicContact CE2-CD1 4.49Å; F1224-F1232 AromaticContact CE2-CD2 3.83Å; F1224-F1232 HydrophobicContact CE2-CD2 3.83Å; F1224-F1232 HydrophobicContact CE2-CE2 4.44Å; F1224-F1232 AromaticContact CE2-CG 3.84Å; F1224-F1232 HydrophobicContact CE2-CG 3.88Å; F1224-F1232 HydrophobicContact CZ-CD2 4.36Å; F1224-L1269 HydrophobicContact CE1-CD2 4.28Å; F1224-L1269 HydrophobicContact CE1-CG 4.04Å; F1224-L1269 HydrophobicContact CE2-CD2 4.11Å; F1224-L1269 HydrophobicContact CZ-CB 4.36Å; F1224-L1269 HydrophobicContact CZ-CD2 3.76Å; F1224-L1269 HydrophobicContact CZ-CG 3.98Å; F1224-N1270 HydrophobicContact CE1-CB 4.24Å; F1224-N1270 HydrophobicContact CZ-CB 4.48Å; F1224-A1273 HydrophobicContact CD1-CB 3.83Å; F1224-A1273 HydrophobicContact CE1-CB 4.21Å
1225D78.5Confident82.5Confident39.4 Ų39.453 Ų5321%0.21126%0.26CS..  trans-88.1-178.6162.575.115.7000110.8D1227 H1228 W1229 R1280D1225-D1227 VanDerWaalsContact C-N 3.26Å; D1225-D1227 PolarHBondContact O-N 3.15Å; D1225-D1227 WeakPolarHBondContact OD1-CA 3.42Å; D1225-D1227 WeakPolarHBondContact OD1-CB 3.23Å; D1225-D1227 PolarHBondContact OD1-N 3.18Å; D1225-D1227 VanDerWaalsContact OD1-N 3.08Å; D1225-H1228 PolarHBondContact N-ND1 3.32Å; D1225-H1228 VanDerWaalsContact N-ND1 3.12Å; D1225-H1228 CarbonylContact O-C 3.55Å; D1225-H1228 WeakPolarHBondContact O-CB 3.5Å; D1225-H1228 PolarHBondContact O-N 3.08Å; D1225-H1228 VanDerWaalsContact O-N 3.07Å; D1225-H1228 IonicContact OD1-CE1 3.21Å; D1225-H1228 IonicContact OD1-CG 3.33Å; D1225-H1228 PolarHBondContact OD1-N 3.13Å; D1225-H1228 IonicContact OD1-ND1 3.31Å; D1225-H1228 PolarHBondContact OD1-ND1 3.23Å; D1225-H1228 IonicContact OD2-CE1 3.07Å; D1225-H1228 PolarHBondContact OD2-CE1 3.11Å; D1225-H1228 VanDerWaalsContact OD2-CE1 3.28Å; D1225-H1228 IonicContact OD2-ND1 3.32Å; D1225-H1228 PolarHBondContact OD2-ND1 3.21Å; D1225-H1228 VanDerWaalsContact OD2-ND1 3.11Å; D1225-W1229 PolarHBondContact O-N 3.14Å; D1225-R1280 IonicContact OD2-CZ 3.19Å; D1225-R1280 IonicContact OD2-NH1 3.28Å; D1225-R1280 PolarHBondContact OD2-NH1 2.87Å; D1225-R1280 IonicContact OD2-NH2 3.36Å; D1225-R1280 PolarHBondContact OD2-NH2 3.16Å
1226S79.6Confident82.3Confident62.6 Ų62.651 Ų5144%0.43825%0.251SS..Hα-helixtrans-53.9-38.5176.768.50000113.4W1229 V1230S1226-W1229 PolarHBondContact O-N 3.35Å; S1226-V1230 VanDerWaalsContact O-CG2 3.31Å; S1226-V1230 WeakPolarHBondContact O-CG2 3.35Å; S1226-V1230 PolarHBondContact O-N 3.19Å; S1226-V1230 VanDerWaalsContact O-N 3.08Å
1227D80.9Confident82.2Confident111.2 Ų111.258.6 Ų58.660%0.59528%0.284SS*.Hα-helixtrans-73.6-40.7-178.3-65.9-20.7000110.8D1225 W1229 V1230 E1231D1225-D1227 VanDerWaalsContact C-N 3.26Å; D1225-D1227 PolarHBondContact O-N 3.15Å; D1225-D1227 WeakPolarHBondContact OD1-CA 3.42Å; D1225-D1227 WeakPolarHBondContact OD1-CB 3.23Å; D1225-D1227 PolarHBondContact OD1-N 3.18Å; D1225-D1227 VanDerWaalsContact OD1-N 3.08Å; D1227-W1229 VanDerWaalsContact C-N 3.3Å; D1227-W1229 PolarHBondContact O-N 3.19Å; D1227-V1230 PolarHBondContact O-N 3.3Å; D1227-E1231 PolarHBondContact O-N 3.1Å
1228H83.8Confident82Confident13.8 Ų13.854 Ų546%0.06427%0.265CS..Hα-helixtrans-61.3-38.9172.4-64.5107.2000111.7F1224 D1225 E1231 F1232 L1269 E1276F1224-H1228 HydrophobicContact CB-CB 3.7Å; F1224-H1228 HydrophobicContact CD1-CB 3.88Å; F1224-H1228 HydrophobicContact CD2-CB 4.31Å; F1224-H1228 HydrophobicContact CE1-CB 4.47Å; F1224-H1228 HydrophobicContact CG-CB 3.71Å; D1225-H1228 PolarHBondContact N-ND1 3.32Å; D1225-H1228 VanDerWaalsContact N-ND1 3.12Å; D1225-H1228 CarbonylContact O-C 3.55Å; D1225-H1228 WeakPolarHBondContact O-CB 3.5Å; D1225-H1228 PolarHBondContact O-N 3.08Å; D1225-H1228 VanDerWaalsContact O-N 3.07Å; D1225-H1228 IonicContact OD1-CE1 3.21Å; D1225-H1228 IonicContact OD1-CG 3.33Å; D1225-H1228 PolarHBondContact OD1-N 3.13Å; D1225-H1228 IonicContact OD1-ND1 3.31Å; D1225-H1228 PolarHBondContact OD1-ND1 3.23Å; D1225-H1228 IonicContact OD2-CE1 3.07Å; D1225-H1228 PolarHBondContact OD2-CE1 3.11Å; D1225-H1228 VanDerWaalsContact OD2-CE1 3.28Å; D1225-H1228 IonicContact OD2-ND1 3.32Å; D1225-H1228 PolarHBondContact OD2-ND1 3.21Å; D1225-H1228 VanDerWaalsContact OD2-ND1 3.11Å; H1228-E1231 PolarHBondContact O-N 3.04Å; H1228-F1232 VanDerWaalsContact O-CB 3.26Å; H1228-F1232 WeakPolarHBondContact O-CB 3.29Å; H1228-F1232 PolarHBondContact O-N 3.17Å; H1228-L1269 HydrophobicContact CB-CD1 4.43Å; H1228-E1276 IonicContact CE1-OE2 3.22Å; H1228-E1276 PolarHBondContact CE1-OE2 3.11Å; H1228-E1276 VanDerWaalsContact CE1-OE2 3.24Å; H1228-E1276 IonicContact NE2-OE2 3.1Å; H1228-E1276 PolarHBondContact NE2-OE2 2.92Å
1229W85.8Confident81.7Confident16.6 Ų16.655.1 Ų55.16%0.06328%0.277CS..Hα-helixtrans-66.1-38.8175.8-79.4114.3000112.7L1170 I1220 G1221 F1224 D1225 S1226 D1227 F1232 C1233 Y1244 L1247L1170-W1229 HydrophobicContact CD2-CZ2 4.33Å; I1220-W1229 WeakPolarHBondContact O-CH2 3.37Å; G1221-W1229 WeakPolarHBondContact O-CZ2 3.31Å; F1224-W1229 HydrophobicContact CB-CD2 4.17Å; F1224-W1229 HydrophobicContact CB-CG 4.21Å; F1224-W1229 HydrophobicContact CB-CZ2 4.2Å; F1224-W1229 AromaticContact CD2-CD2 3.92Å; F1224-W1229 HydrophobicContact CD2-CD2 3.92Å; F1224-W1229 AromaticContact CD2-CE2 3.95Å; F1224-W1229 AromaticContact CD2-CE3 3.85Å; F1224-W1229 HydrophobicContact CD2-CE3 4.01Å; F1224-W1229 HydrophobicContact CD2-CG 4.44Å; F1224-W1229 HydrophobicContact CD2-CH2 4.19Å; F1224-W1229 HydrophobicContact CD2-CZ2 4.11Å; F1224-W1229 HydrophobicContact CD2-CZ3 4.14Å; F1224-W1229 HydrophobicContact CE2-CE3 4.47Å; F1224-W1229 HydrophobicContact CE2-CZ3 4.38Å; F1224-W1229 HydrophobicContact CG-CD2 4.48Å; F1224-W1229 HydrophobicContact CG-CZ2 4.45Å; F1224-W1229 PolarHBondContact O-NE1 2.94Å; D1225-W1229 PolarHBondContact O-N 3.14Å; S1226-W1229 PolarHBondContact O-N 3.35Å; D1227-W1229 VanDerWaalsContact C-N 3.3Å; D1227-W1229 PolarHBondContact O-N 3.19Å; W1229-F1232 HydrophobicContact CE3-CB 4.48Å; W1229-F1232 AromaticContact CE3-CD1 3.89Å; W1229-F1232 HydrophobicContact CE3-CD1 3.89Å; W1229-F1232 HydrophobicContact CE3-CE1 4.42Å; W1229-F1232 HydrophobicContact CE3-CG 4.37Å; W1229-F1232 AromaticContact CZ3-CD1 3.84Å; W1229-F1232 HydrophobicContact CZ3-CD1 3.84Å; W1229-F1232 AromaticContact CZ3-CE1 3.91Å; W1229-F1232 HydrophobicContact CZ3-CE1 4.03Å; W1229-F1232 HydrophobicContact CZ3-CG 4.41Å; W1229-F1232 PolarHBondContact O-N 3.11Å; W1229-C1233 WeakPolarHBondContact O-CB 3.24Å; W1229-C1233 PolarHBondContact O-N 3.17Å; W1229-C1233 PolarHBondContact O-SG 3.23Å; W1229-C1233 VanDerWaalsContact O-SG 3.37Å; W1229-Y1244 HydrophobicContact CB-CD1 4.14Å; W1229-Y1244 HydrophobicContact CB-CD2 4.35Å; W1229-Y1244 HydrophobicContact CB-CG 4Å; W1229-Y1244 HydrophobicContact CD2-CG 4.41Å; W1229-Y1244 HydrophobicContact CG-CD1 4.43Å; W1229-Y1244 HydrophobicContact CG-CD2 4.31Å; W1229-Y1244 AromaticContact CG-CG 3.93Å; W1229-Y1244 HydrophobicContact CG-CG 4.1Å; W1229-L1247 HydrophobicContact CE3-CD1 4.43Å; W1229-L1247 HydrophobicContact CZ3-CD2 4.37Å
1230V83.4Confident81.1Confident96 Ų9661.4 Ų61.458%0.58232%0.318SS*.Hα-helixtrans-64.2-46174.8171.10000110.8S1226 D1227 F1232 C1233 R1234S1226-V1230 VanDerWaalsContact O-CG2 3.31Å; S1226-V1230 WeakPolarHBondContact O-CG2 3.35Å; S1226-V1230 PolarHBondContact O-N 3.19Å; S1226-V1230 VanDerWaalsContact O-N 3.08Å; D1227-V1230 PolarHBondContact O-N 3.3Å; V1230-F1232 VanDerWaalsContact C-N 3.33Å; V1230-F1232 PolarHBondContact O-N 3.22Å; V1230-C1233 PolarHBondContact O-N 3.19Å; V1230-R1234 WeakPolarHBondContact O-CB 3.41Å; V1230-R1234 PolarHBondContact O-N 3.16Å
1231E82.7Confident80.5Confident68.6 Ų68.665.4 Ų65.432%0.32134%0.34SS..Hα-helixtrans-64.2-39.2176.9-178.173.7-165.600111.8D1227 H1228 R1234 L1235 L1269D1227-E1231 PolarHBondContact O-N 3.1Å; H1228-E1231 PolarHBondContact O-N 3.04Å; E1231-R1234 WeakPolarHBondContact O-CB 3.4Å; E1231-R1234 PolarHBondContact O-N 3.2Å; E1231-R1234 IonicContact OE1-CZ 3.57Å; E1231-R1234 IonicContact OE1-NE 3.43Å; E1231-R1234 PolarHBondContact OE1-NE 2.86Å; E1231-R1234 IonicContact OE1-NH2 3.65Å; E1231-R1234 PolarHBondContact OE1-NH2 3.26Å; E1231-R1234 IonicContact OE2-CZ 3.02Å; E1231-R1234 IonicContact OE2-NE 3.32Å; E1231-R1234 PolarHBondContact OE2-NE 3.01Å; E1231-R1234 IonicContact OE2-NH2 3.03Å; E1231-R1234 PolarHBondContact OE2-NH2 3.17Å; E1231-L1235 HydrophobicContact CG-CD1 4.42Å; E1231-L1235 HydrophobicContact CG-CG 4.4Å; E1231-L1235 VanDerWaalsContact O-CG 3.3Å; E1231-L1235 WeakPolarHBondContact O-CG 3.39Å; E1231-L1235 PolarHBondContact O-N 3.07Å; E1231-L1269 HydrophobicContact CB-CD1 4.33Å; E1231-L1269 HydrophobicContact CB-CD2 4.42Å; E1231-L1269 HydrophobicContact CG-CD1 4.02Å; E1231-L1269 HydrophobicContact CG-CD2 4.4Å; E1231-L1269 WeakPolarHBondContact OE2-CD1 3.41Å
1232F86.4Confident80.1Confident0 Ų066.6 Ų66.60%035%0.346CS..Hα-helixtrans-60.2-50173.5-179.8-105.4000111.5C1219 F1224 H1228 W1229 V1230 R1234 L1235 L1236 L1247 L1252 I1266 L1269C1219-F1232 HydrophobicContact CB-CE2 4.11Å; C1219-F1232 HydrophobicContact CB-CZ 3.68Å; F1224-F1232 HydrophobicContact CD2-CB 4.38Å; F1224-F1232 HydrophobicContact CD2-CG 4.48Å; F1224-F1232 HydrophobicContact CE2-CB 3.92Å; F1224-F1232 HydrophobicContact CE2-CD1 4.49Å; F1224-F1232 AromaticContact CE2-CD2 3.83Å; F1224-F1232 HydrophobicContact CE2-CD2 3.83Å; F1224-F1232 HydrophobicContact CE2-CE2 4.44Å; F1224-F1232 AromaticContact CE2-CG 3.84Å; F1224-F1232 HydrophobicContact CE2-CG 3.88Å; F1224-F1232 HydrophobicContact CZ-CD2 4.36Å; H1228-F1232 VanDerWaalsContact O-CB 3.26Å; H1228-F1232 WeakPolarHBondContact O-CB 3.29Å; H1228-F1232 PolarHBondContact O-N 3.17Å; W1229-F1232 HydrophobicContact CE3-CB 4.48Å; W1229-F1232 AromaticContact CE3-CD1 3.89Å; W1229-F1232 HydrophobicContact CE3-CD1 3.89Å; W1229-F1232 HydrophobicContact CE3-CE1 4.42Å; W1229-F1232 HydrophobicContact CE3-CG 4.37Å; W1229-F1232 AromaticContact CZ3-CD1 3.84Å; W1229-F1232 HydrophobicContact CZ3-CD1 3.84Å; W1229-F1232 AromaticContact CZ3-CE1 3.91Å; W1229-F1232 HydrophobicContact CZ3-CE1 4.03Å; W1229-F1232 HydrophobicContact CZ3-CG 4.41Å; W1229-F1232 PolarHBondContact O-N 3.11Å; V1230-F1232 VanDerWaalsContact C-N 3.33Å; V1230-F1232 PolarHBondContact O-N 3.22Å; F1232-R1234 VanDerWaalsContact C-N 3.26Å; F1232-R1234 PolarHBondContact O-N 3.2Å; F1232-L1235 PolarHBondContact O-N 3.03Å; F1232-L1235 VanDerWaalsContact O-N 3.15Å; F1232-L1236 HydrophobicContact CD1-CD1 3.99Å; F1232-L1236 HydrophobicContact CD1-CG 4.46Å; F1232-L1236 HydrophobicContact CE1-CD1 3.42Å; F1232-L1236 VanDerWaalsContact CE1-CD1 3.46Å; F1232-L1236 HydrophobicContact CE1-CG 4.33Å; F1232-L1236 HydrophobicContact CE2-CD1 4.2Å; F1232-L1236 HydrophobicContact CE2-CD2 4.41Å; F1232-L1236 HydrophobicContact CE2-CG 4.41Å; F1232-L1236 HydrophobicContact CG-CD1 4.4Å; F1232-L1236 HydrophobicContact CZ-CD1 3.53Å; F1232-L1236 VanDerWaalsContact CZ-CD1 3.47Å; F1232-L1236 HydrophobicContact CZ-CD2 4.35Å; F1232-L1236 HydrophobicContact CZ-CG 4.24Å; F1232-L1236 VanDerWaalsContact O-CG 3.27Å; F1232-L1236 WeakPolarHBondContact O-CG 3.31Å; F1232-L1236 PolarHBondContact O-N 3.13Å; F1232-L1236 VanDerWaalsContact O-N 3.12Å; F1232-L1247 HydrophobicContact CE1-CD2 4.37Å; F1232-L1252 HydrophobicContact CE1-CD2 4.29Å; F1232-L1252 HydrophobicContact CZ-CD2 4.29Å; F1232-I1266 HydrophobicContact CD2-CG1 4.48Å; F1232-I1266 HydrophobicContact CD2-CG2 4.39Å; F1232-I1266 HydrophobicContact CE2-CD1 4.29Å; F1232-I1266 HydrophobicContact CE2-CG1 4.36Å; F1232-I1266 HydrophobicContact CE2-CG2 4.02Å; F1232-L1269 HydrophobicContact CB-CD2 3.92Å; F1232-L1269 HydrophobicContact CD2-CD2 4.42Å
1233C84Confident79.8Confident18.6 Ų18.666.4 Ų66.413%0.12634%0.343CS..Hα-helixtrans-59.5-36.9176.4-70.20000112.3W1229 V1230 L1236 K1237 L1238W1229-C1233 WeakPolarHBondContact O-CB 3.24Å; W1229-C1233 PolarHBondContact O-N 3.17Å; W1229-C1233 PolarHBondContact O-SG 3.23Å; W1229-C1233 VanDerWaalsContact O-SG 3.37Å; V1230-C1233 PolarHBondContact O-N 3.19Å; C1233-L1236 PolarHBondContact O-N 3.03Å; C1233-K1237 PolarHBondContact O-N 3.12Å; C1233-L1238 HydrophobicContact CB-CD1 4.46Å; C1233-L1238 PolarHBondContact O-N 3.11Å
1234R84.5Confident79.5Confident159.6 Ų159.668.5 Ų68.560%0.60235%0.35SS*.Hα-helixtrans-65.4-43.9175.6-168.3-171.673.287.20.1112.2V1230 E1231 F1232 L1236 K1237V1230-R1234 WeakPolarHBondContact O-CB 3.41Å; V1230-R1234 PolarHBondContact O-N 3.16Å; E1231-R1234 WeakPolarHBondContact O-CB 3.4Å; E1231-R1234 PolarHBondContact O-N 3.2Å; E1231-R1234 IonicContact OE1-CZ 3.57Å; E1231-R1234 IonicContact OE1-NE 3.43Å; E1231-R1234 PolarHBondContact OE1-NE 2.86Å; E1231-R1234 IonicContact OE1-NH2 3.65Å; E1231-R1234 PolarHBondContact OE1-NH2 3.26Å; E1231-R1234 IonicContact OE2-CZ 3.02Å; E1231-R1234 IonicContact OE2-NE 3.32Å; E1231-R1234 PolarHBondContact OE2-NE 3.01Å; E1231-R1234 IonicContact OE2-NH2 3.03Å; E1231-R1234 PolarHBondContact OE2-NH2 3.17Å; F1232-R1234 VanDerWaalsContact C-N 3.26Å; F1232-R1234 PolarHBondContact O-N 3.2Å; R1234-L1236 VanDerWaalsContact C-N 3.26Å; R1234-L1236 PolarHBondContact O-N 3.18Å; R1234-K1237 PolarHBondContact O-N 3.12Å; R1234-K1237 VanDerWaalsContact O-N 3.1Å
1235L84.2Confident79.2Confident35.4 Ų35.471.3 Ų71.319%0.18537%0.365CS..Hα-helixtrans-61.9-33.6176.7-73.3173.3000112.1E1231 F1232 K1237 N1265 I1266 L1269E1231-L1235 HydrophobicContact CG-CD1 4.42Å; E1231-L1235 HydrophobicContact CG-CG 4.4Å; E1231-L1235 VanDerWaalsContact O-CG 3.3Å; E1231-L1235 WeakPolarHBondContact O-CG 3.39Å; E1231-L1235 PolarHBondContact O-N 3.07Å; F1232-L1235 PolarHBondContact O-N 3.03Å; F1232-L1235 VanDerWaalsContact O-N 3.15Å; L1235-K1237 VanDerWaalsContact C-N 3.29Å; L1235-K1237 PolarHBondContact O-N 3.21Å; L1235-N1265 HydrophobicContact CD1-CB 4.06Å; L1235-N1265 HydrophobicContact CD2-CB 3.88Å; L1235-I1266 HydrophobicContact CD1-CG1 4.43Å; L1235-L1269 HydrophobicContact CD1-CD2 4.32Å
1236L82.6Confident79.2Confident0.8 Ų0.876.5 Ų76.50%0.00439%0.386CS..THydrogen-bonded Turntrans-80-9178.6-63.7-172.2000114.6F1232 C1233 R1234 L1238 L1252 A1255 N1258 I1259 I1266F1232-L1236 HydrophobicContact CD1-CD1 3.99Å; F1232-L1236 HydrophobicContact CD1-CG 4.46Å; F1232-L1236 HydrophobicContact CE1-CD1 3.42Å; F1232-L1236 VanDerWaalsContact CE1-CD1 3.46Å; F1232-L1236 HydrophobicContact CE1-CG 4.33Å; F1232-L1236 HydrophobicContact CE2-CD1 4.2Å; F1232-L1236 HydrophobicContact CE2-CD2 4.41Å; F1232-L1236 HydrophobicContact CE2-CG 4.41Å; F1232-L1236 HydrophobicContact CG-CD1 4.4Å; F1232-L1236 HydrophobicContact CZ-CD1 3.53Å; F1232-L1236 VanDerWaalsContact CZ-CD1 3.47Å; F1232-L1236 HydrophobicContact CZ-CD2 4.35Å; F1232-L1236 HydrophobicContact CZ-CG 4.24Å; F1232-L1236 VanDerWaalsContact O-CG 3.27Å; F1232-L1236 WeakPolarHBondContact O-CG 3.31Å; F1232-L1236 PolarHBondContact O-N 3.13Å; F1232-L1236 VanDerWaalsContact O-N 3.12Å; C1233-L1236 PolarHBondContact O-N 3.03Å; R1234-L1236 VanDerWaalsContact C-N 3.26Å; R1234-L1236 PolarHBondContact O-N 3.18Å; L1236-L1238 VanDerWaalsContact C-N 3.25Å; L1236-L1238 HydrophobicContact CB-CD1 4.15Å; L1236-L1238 HydrophobicContact CB-CD2 4.37Å; L1236-L1238 HydrophobicContact CB-CG 3.82Å; L1236-L1238 HydrophobicContact CD1-CD1 4.02Å; L1236-L1238 HydrophobicContact CD1-CG 4.48Å; L1236-L1238 PolarHBondContact O-N 3.32Å; L1236-L1252 HydrophobicContact CD1-CD2 3.52Å; L1236-L1252 VanDerWaalsContact CD1-CD2 3.41Å; L1236-A1255 HydrophobicContact CB-CB 4.35Å; L1236-N1258 PolarHBondContact O-ND2 3.18Å; L1236-N1258 VanDerWaalsContact O-ND2 3.11Å; L1236-I1259 HydrophobicContact CD1-CG1 4.41Å; L1236-I1259 HydrophobicContact CD2-CB 4.43Å; L1236-I1259 HydrophobicContact CD2-CD1 4.17Å; L1236-I1259 HydrophobicContact CD2-CG1 3.31Å; L1236-I1266 HydrophobicContact CD2-CD1 4.08Å
1237K81.8Confident79.3Confident158.4 Ų158.473.6 Ų73.669%0.68937%0.366SS*.THydrogen-bonded Turntrans53.239.2-173-54.7177.9-175.2161.80112.8C1233 R1234 L1235 N1258C1233-K1237 PolarHBondContact O-N 3.12Å; R1234-K1237 PolarHBondContact O-N 3.12Å; R1234-K1237 VanDerWaalsContact O-N 3.1Å; L1235-K1237 VanDerWaalsContact C-N 3.29Å; L1235-K1237 PolarHBondContact O-N 3.21Å; K1237-N1258 PolarHBondContact NZ-OD1 2.87Å; K1237-N1258 VanDerWaalsContact NZ-OD1 3.07Å
1238L79.4Confident79.6Confident26.8 Ų26.870 Ų7014%0.1435%0.348CS..  trans-70152.5175.8-67.3174.1000110.8C1233 L1236 V1242 L1247 N1251 A1255C1233-L1238 HydrophobicContact CB-CD1 4.46Å; C1233-L1238 PolarHBondContact O-N 3.11Å; L1236-L1238 VanDerWaalsContact C-N 3.25Å; L1236-L1238 HydrophobicContact CB-CD1 4.15Å; L1236-L1238 HydrophobicContact CB-CD2 4.37Å; L1236-L1238 HydrophobicContact CB-CG 3.82Å; L1236-L1238 HydrophobicContact CD1-CD1 4.02Å; L1236-L1238 HydrophobicContact CD1-CG 4.48Å; L1236-L1238 PolarHBondContact O-N 3.32Å; L1238-V1242 HydrophobicContact CB-CB 4.44Å; L1238-V1242 HydrophobicContact CD1-CG1 4.4Å; L1238-L1247 HydrophobicContact CD1-CD1 3.58Å; L1238-L1247 VanDerWaalsContact CD1-CD1 3.45Å; L1238-L1247 HydrophobicContact CD1-CD2 3.48Å; L1238-L1247 VanDerWaalsContact CD1-CD2 3.48Å; L1238-L1247 HydrophobicContact CD1-CG 4.48Å; L1238-N1251 HydrophobicContact CD1-CB 4.47Å; L1238-N1251 HydrophobicContact CD2-CB 4.07Å; L1238-N1251 WeakPolarHBondContact CD2-O 3.25Å; L1238-A1255 HydrophobicContact CD2-CB 4.11Å
1239P75.2Confident79.7Confident72.2 Ų72.269.3 Ų69.347%0.46935%0.345SS..  trans-55.3141.3174-22.932.8000111.3D1241 V1242P1239-D1241 WeakPolarHBondContact CB-OD1 3.36Å; P1239-D1241 PolarHBondContact O-N 3.24Å; P1239-D1241 VanDerWaalsContact O-N 3.11Å; P1239-V1242 HydrophobicContact CB-CG2 4.27Å; P1239-V1242 HydrophobicContact CG-CG2 4.37Å; P1239-V1242 WeakPolarHBondContact O-CB 3.48Å; P1239-V1242 PolarHBondContact O-N 3.06Å
1240P67.6Low79.6Confident132.8 Ų132.874.9 Ų74.986%0.86237%0.366SS*.THydrogen-bonded Turntrans-62.4-17.1-174.123.8-33000114.2V1242P1240-V1242 VanDerWaalsContact C-N 3.29Å; P1240-V1242 PolarHBondContact O-N 2.97Å
1241D71Confident79.7Confident135.2 Ų135.271.8 Ų71.872%0.72335%0.346SS*.THydrogen-bonded Turntrans-76.9-15.1176.8-14.6-40.7000113.3P1239 K1243P1239-D1241 WeakPolarHBondContact CB-OD1 3.36Å; P1239-D1241 PolarHBondContact O-N 3.24Å; P1239-D1241 VanDerWaalsContact O-N 3.11Å; D1241-K1243 PolarHBondContact O-N 3.15Å; D1241-K1243 VanDerWaalsContact O-N 3.16Å
1242V69.6Low79.8Confident28.4 Ų28.468.5 Ų68.517%0.17233%0.33CS..  trans-85.994.8179.9-1740000109.9L1238 P1239 P1240 L1247 N1251L1238-V1242 HydrophobicContact CB-CB 4.44Å; L1238-V1242 HydrophobicContact CD1-CG1 4.4Å; P1239-V1242 HydrophobicContact CB-CG2 4.27Å; P1239-V1242 HydrophobicContact CG-CG2 4.37Å; P1239-V1242 WeakPolarHBondContact O-CB 3.48Å; P1239-V1242 PolarHBondContact O-N 3.06Å; P1240-V1242 VanDerWaalsContact C-N 3.29Å; P1240-V1242 PolarHBondContact O-N 2.97Å; V1242-L1247 HydrophobicContact CG1-CD1 3.95Å; V1242-L1247 HydrophobicContact CG1-CD2 3.62Å; V1242-L1247 HydrophobicContact CG1-CG 4.23Å; V1242-N1251 WeakPolarHBondContact CG1-ND2 3.37Å
1243K72.1Confident79.6Confident143.2 Ų143.268.9 Ų68.962%0.62333%0.333SS*.  trans-72155.9166-66.8-173.6-179.4-173.80110.9D1241 D1245 K1246 L1247D1241-K1243 PolarHBondContact O-N 3.15Å; D1241-K1243 VanDerWaalsContact O-N 3.16Å; K1243-D1245 VanDerWaalsContact C-N 3.27Å; K1243-D1245 WeakPolarHBondContact CB-OD1 3.35Å; K1243-D1245 PolarHBondContact O-N 3.26Å; K1243-K1246 PolarHBondContact O-N 3.12Å; K1243-K1246 VanDerWaalsContact O-N 3.1Å; K1243-L1247 PolarHBondContact O-N 3.2Å
1244Y74Confident79.6Confident99.8 Ų99.873.7 Ų73.739%0.39136%0.356SS..G310 helixtrans-62.8-27.9-177.769.9-94.2000113.3W1229 K1246 L1247W1229-Y1244 HydrophobicContact CB-CD1 4.14Å; W1229-Y1244 HydrophobicContact CB-CD2 4.35Å; W1229-Y1244 HydrophobicContact CB-CG 4Å; W1229-Y1244 HydrophobicContact CD2-CG 4.41Å; W1229-Y1244 HydrophobicContact CG-CD1 4.43Å; W1229-Y1244 HydrophobicContact CG-CD2 4.31Å; W1229-Y1244 AromaticContact CG-CG 3.93Å; W1229-Y1244 HydrophobicContact CG-CG 4.1Å; Y1244-K1246 VanDerWaalsContact C-N 3.29Å; Y1244-K1246 PolarHBondContact O-N 3.12Å; Y1244-L1247 WeakPolarHBondContact O-CB 3.33Å; Y1244-L1247 PolarHBondContact O-N 3.19Å
1245D75.5Confident79.5Confident77.8 Ų77.866.4 Ų66.442%0.41633%0.33SS..G310 helixtrans-70-21.717648.8-24.4000113.3K1243K1243-D1245 VanDerWaalsContact C-N 3.27Å; K1243-D1245 WeakPolarHBondContact CB-OD1 3.35Å; K1243-D1245 PolarHBondContact O-N 3.26Å
1246K78.2Confident79.5Confident147.8 Ų147.864.7 Ų64.764%0.64332%0.321SS*.G310 helixtrans-110.713179.7-63.9-173.3179.7-175.50113.6K1243 Y1244 V1248K1243-K1246 PolarHBondContact O-N 3.12Å; K1243-K1246 VanDerWaalsContact O-N 3.1Å; Y1244-K1246 VanDerWaalsContact C-N 3.29Å; Y1244-K1246 PolarHBondContact O-N 3.12Å; K1246-V1248 PolarHBondContact O-N 3.22Å
1247L82Confident79.5Confident2.6 Ų2.668.6 Ų68.61%0.01434%0.342CS..  trans-68.5121.7179.3-154.5100.1000109.3W1169 W1229 F1232 L1238 V1242 K1243 Y1244 N1251 L1252W1169-L1247 HydrophobicContact CB-CB 4.18Å; W1169-L1247 HydrophobicContact CB-CD2 3.88Å; W1169-L1247 HydrophobicContact CB-CG 3.91Å; W1169-L1247 VanDerWaalsContact CB-O 3.25Å; W1169-L1247 WeakPolarHBondContact CB-O 3.36Å; W1169-L1247 HydrophobicContact CG-CD2 3.83Å; W1169-L1247 HydrophobicContact CG-CG 4.3Å; W1169-L1247 PolarHBondContact N-O 3.24Å; W1229-L1247 HydrophobicContact CE3-CD1 4.43Å; W1229-L1247 HydrophobicContact CZ3-CD2 4.37Å; F1232-L1247 HydrophobicContact CE1-CD2 4.37Å; L1238-L1247 HydrophobicContact CD1-CD1 3.58Å; L1238-L1247 VanDerWaalsContact CD1-CD1 3.45Å; L1238-L1247 HydrophobicContact CD1-CD2 3.48Å; L1238-L1247 VanDerWaalsContact CD1-CD2 3.48Å; L1238-L1247 HydrophobicContact CD1-CG 4.48Å; V1242-L1247 HydrophobicContact CG1-CD1 3.95Å; V1242-L1247 HydrophobicContact CG1-CD2 3.62Å; V1242-L1247 HydrophobicContact CG1-CG 4.23Å; K1243-L1247 PolarHBondContact O-N 3.2Å; Y1244-L1247 WeakPolarHBondContact O-CB 3.33Å; Y1244-L1247 PolarHBondContact O-N 3.19Å; L1247-N1251 HydrophobicContact CD1-CB 3.93Å; L1247-N1251 HydrophobicContact CD2-CB 4.32Å; L1247-L1252 HydrophobicContact CD2-CD1 4.19Å; L1247-L1252 HydrophobicContact CD2-CD2 4Å; L1247-L1252 HydrophobicContact CD2-CG 3.9Å
1248V87.1Confident79.6Confident35.2 Ų35.263.3 Ų63.321%0.21332%0.321CS..BIsolated β-bridgetrans-107.5158.3174.3-66.20000110.9G1165 E1167 K1246 R1250 N1251G1165-V1248 WeakPolarHBondContact O-CB 3.39Å; E1167-V1248 VanDerWaalsContact O-CA 3.32Å; E1167-V1248 WeakPolarHBondContact O-CA 3.42Å; E1167-V1248 WeakPolarHBondContact O-CB 3.38Å; K1246-V1248 PolarHBondContact O-N 3.22Å; V1248-R1250 HydrophobicContact CG2-CB 4.12Å; V1248-R1250 PolarHBondContact O-N 3.25Å; V1248-R1250 VanDerWaalsContact O-N 3.14Å; V1248-N1251 HydrophobicContact CG2-CB 4.38Å; V1248-N1251 VanDerWaalsContact CG2-OD1 3.32Å; V1248-N1251 WeakPolarHBondContact CG2-OD1 3.37Å; V1248-N1251 PolarHBondContact N-ND2 2.98Å; V1248-N1251 WeakPolarHBondContact O-CB 3.35Å; V1248-N1251 PolarHBondContact O-N 3.15Å
1249L85.6Confident79.9Confident0 Ų062 Ų620%031%0.314CS..Hα-helixtrans-53.5-39.1178.6178.765.7000111.9L1164 G1165 E1167 W1169 F1172 F1179 N1251 L1252 L1253L1164-L1249 HydrophobicContact CB-CD2 4.23Å; L1164-L1249 VanDerWaalsContact O-CD2 3.29Å; L1164-L1249 WeakPolarHBondContact O-CD2 3.47Å; G1165-L1249 PolarHBondContact O-N 3.04Å; E1167-L1249 PolarHBondContact O-N 3.28Å; E1167-L1249 VanDerWaalsContact O-N 3.13Å; W1169-L1249 HydrophobicContact CE3-CD1 4.15Å; W1169-L1249 HydrophobicContact CZ3-CD1 3.8Å; F1172-L1249 HydrophobicContact CD1-CB 4.42Å; F1172-L1249 HydrophobicContact CD1-CD1 3.94Å; F1172-L1249 HydrophobicContact CD1-CD2 4.05Å; F1172-L1249 HydrophobicContact CD1-CG 4.37Å; F1172-L1249 HydrophobicContact CD2-CD2 4.48Å; F1172-L1249 HydrophobicContact CE1-CD1 3.85Å; F1172-L1249 HydrophobicContact CE1-CD2 3.53Å; F1172-L1249 VanDerWaalsContact CE1-CD2 3.47Å; F1172-L1249 HydrophobicContact CE1-CG 4.22Å; F1172-L1249 HydrophobicContact CE2-CD2 4.19Å; F1172-L1249 HydrophobicContact CG-CD2 4.46Å; F1172-L1249 HydrophobicContact CZ-CD2 3.61Å; F1172-L1249 VanDerWaalsContact CZ-CD2 3.49Å; F1179-L1249 HydrophobicContact CD2-CD2 4.33Å; L1249-N1251 PolarHBondContact O-N 3.17Å; L1249-N1251 VanDerWaalsContact O-N 3.15Å; L1249-L1252 WeakPolarHBondContact O-CA 3.46Å; L1249-L1252 WeakPolarHBondContact O-CB 3.33Å; L1249-L1252 PolarHBondContact O-N 3.23Å; L1249-L1253 HydrophobicContact CD1-CD2 4.43Å; L1249-L1253 HydrophobicContact CD1-CG 4.44Å; L1249-L1253 HydrophobicContact CD2-CD1 4.4Å; L1249-L1253 HydrophobicContact CG-CD1 4.11Å; L1249-L1253 HydrophobicContact CG-CD2 4.5Å; L1249-L1253 HydrophobicContact CG-CG 4.12Å; L1249-L1253 WeakPolarHBondContact O-CG 3.37Å; L1249-L1253 PolarHBondContact O-N 3.27Å
1250R85.3Confident80.3Confident133.8 Ų133.860.9 Ų60.951%0.50530%0.304SS..Hα-helixtrans-54.7-35.5177.2-175.4172.6-175.1-148.51.5113.1G1165 V1248 L1252 L1253 L1254G1165-R1250 VanDerWaalsContact O-CB 3.25Å; G1165-R1250 WeakPolarHBondContact O-CB 3.4Å; G1165-R1250 PolarHBondContact O-N 3.38Å; G1165-R1250 VanDerWaalsContact O-N 3.07Å; V1248-R1250 HydrophobicContact CG2-CB 4.12Å; V1248-R1250 PolarHBondContact O-N 3.25Å; V1248-R1250 VanDerWaalsContact O-N 3.14Å; R1250-L1252 VanDerWaalsContact C-N 3.31Å; R1250-L1252 PolarHBondContact O-N 3.02Å; R1250-L1253 PolarHBondContact O-N 3.17Å; R1250-L1254 HydrophobicContact CG-CD1 4.15Å; R1250-L1254 HydrophobicContact CG-CG 4.4Å; R1250-L1254 WeakPolarHBondContact O-CB 3.42Å; R1250-L1254 VanDerWaalsContact O-CG 3.26Å; R1250-L1254 WeakPolarHBondContact O-CG 3.33Å; R1250-L1254 PolarHBondContact O-N 3.25Å
1251N84.6Confident81.1Confident30.2 Ų30.261.2 Ų61.216%0.16130%0.298CS..Hα-helixtrans-65.1-38.1178.4-63.8-12.1000111.1L1238 V1242 L1247 V1248 L1249 A1255L1238-N1251 HydrophobicContact CD1-CB 4.47Å; L1238-N1251 HydrophobicContact CD2-CB 4.07Å; L1238-N1251 WeakPolarHBondContact CD2-O 3.25Å; V1242-N1251 WeakPolarHBondContact CG1-ND2 3.37Å; L1247-N1251 HydrophobicContact CD1-CB 3.93Å; L1247-N1251 HydrophobicContact CD2-CB 4.32Å; V1248-N1251 HydrophobicContact CG2-CB 4.38Å; V1248-N1251 VanDerWaalsContact CG2-OD1 3.32Å; V1248-N1251 WeakPolarHBondContact CG2-OD1 3.37Å; V1248-N1251 PolarHBondContact N-ND2 2.98Å; V1248-N1251 WeakPolarHBondContact O-CB 3.35Å; V1248-N1251 PolarHBondContact O-N 3.15Å; L1249-N1251 PolarHBondContact O-N 3.17Å; L1249-N1251 VanDerWaalsContact O-N 3.15Å; N1251-A1255 WeakPolarHBondContact O-CB 3.36Å; N1251-A1255 PolarHBondContact O-N 2.96Å; N1251-A1255 VanDerWaalsContact O-N 3.09Å
1252L84Confident81.7Confident0 Ų055.5 Ų55.50%027%0.272CS..Hα-helixtrans-72.8-36.1175.5-63.3172.3000112.2W1169 L1216 F1232 L1236 L1247 L1249 R1250 L1254 A1255 S1256 I1259W1169-L1252 HydrophobicContact CD2-CD1 3.24Å; W1169-L1252 VanDerWaalsContact CE2-CD1 3.45Å; W1169-L1252 HydrophobicContact CE3-CD1 3.24Å; W1169-L1252 VanDerWaalsContact CE3-CD1 3.4Å; W1169-L1252 HydrophobicContact CG-CD1 3.89Å; W1169-L1252 HydrophobicContact CH2-CD1 3.65Å; W1169-L1252 HydrophobicContact CZ2-CD1 3.67Å; W1169-L1252 HydrophobicContact CZ3-CD1 3.44Å; W1169-L1252 VanDerWaalsContact CZ3-CD1 3.42Å; L1216-L1252 HydrophobicContact CD2-CB 4.5Å; L1216-L1252 HydrophobicContact CD2-CD1 4.42Å; F1232-L1252 HydrophobicContact CE1-CD2 4.29Å; F1232-L1252 HydrophobicContact CZ-CD2 4.29Å; L1236-L1252 HydrophobicContact CD1-CD2 3.52Å; L1236-L1252 VanDerWaalsContact CD1-CD2 3.41Å; L1247-L1252 HydrophobicContact CD2-CD1 4.19Å; L1247-L1252 HydrophobicContact CD2-CD2 4Å; L1247-L1252 HydrophobicContact CD2-CG 3.9Å; L1249-L1252 WeakPolarHBondContact O-CA 3.46Å; L1249-L1252 WeakPolarHBondContact O-CB 3.33Å; L1249-L1252 PolarHBondContact O-N 3.23Å; R1250-L1252 VanDerWaalsContact C-N 3.31Å; R1250-L1252 PolarHBondContact O-N 3.02Å; L1252-L1254 VanDerWaalsContact C-N 3.32Å; L1252-L1254 PolarHBondContact O-N 2.83Å; L1252-A1255 CarbonylContact O-C 3.55Å; L1252-A1255 PolarHBondContact O-N 3.33Å; L1252-S1256 PolarHBondContact O-N 3.16Å; L1252-S1256 VanDerWaalsContact O-N 3.1Å; L1252-I1259 HydrophobicContact CB-CD1 4.16Å; L1252-I1259 HydrophobicContact CD2-CD1 4.07Å; L1252-I1259 VanDerWaalsContact O-CD1 3.26Å; L1252-I1259 WeakPolarHBondContact O-CD1 3.33Å
1253L83.7Confident82.4Confident9.2 Ų9.255.4 Ų55.45%0.04827%0.27CS..Hα-helixtrans-65.1-39.3175.2-62.8178.8000111.7L1161 F1179 Y1209 L1212 L1249 R1250 A1255 S1256L1161-L1253 HydrophobicContact CD1-CD1 4.06Å; L1161-L1253 HydrophobicContact CG-CD1 4.27Å; F1179-L1253 HydrophobicContact CE1-CD2 4.14Å; F1179-L1253 HydrophobicContact CE2-CD2 4.28Å; F1179-L1253 HydrophobicContact CZ-CD2 3.57Å; Y1209-L1253 HydrophobicContact CD1-CD2 3.69Å; Y1209-L1253 HydrophobicContact CE1-CB 3.86Å; Y1209-L1253 HydrophobicContact CE1-CD1 4.44Å; Y1209-L1253 HydrophobicContact CE1-CD2 3.73Å; Y1209-L1253 HydrophobicContact CE1-CG 4.24Å; Y1209-L1253 HydrophobicContact CG-CD2 4.4Å; L1212-L1253 HydrophobicContact CD2-CD2 4.03Å; L1249-L1253 HydrophobicContact CD1-CD2 4.43Å; L1249-L1253 HydrophobicContact CD1-CG 4.44Å; L1249-L1253 HydrophobicContact CD2-CD1 4.4Å; L1249-L1253 HydrophobicContact CG-CD1 4.11Å; L1249-L1253 HydrophobicContact CG-CD2 4.5Å; L1249-L1253 HydrophobicContact CG-CG 4.12Å; L1249-L1253 WeakPolarHBondContact O-CG 3.37Å; L1249-L1253 PolarHBondContact O-N 3.27Å; R1250-L1253 PolarHBondContact O-N 3.17Å; L1253-A1255 VanDerWaalsContact C-N 3.34Å; L1253-S1256 VanDerWaalsContact O-CB 3.25Å; L1253-S1256 WeakPolarHBondContact O-CB 3.33Å; L1253-S1256 PolarHBondContact O-N 3.35Å; L1253-S1256 PolarHBondContact O-OG 3.18Å
1254L82.9Confident83Confident118.8 Ų118.851.8 Ų51.862%0.62226%0.262SS*.Hα-helixtrans-67.7-35.8174-70.3170.9000112R1250 L1252 S1256R1250-L1254 HydrophobicContact CG-CD1 4.15Å; R1250-L1254 HydrophobicContact CG-CG 4.4Å; R1250-L1254 WeakPolarHBondContact O-CB 3.42Å; R1250-L1254 VanDerWaalsContact O-CG 3.26Å; R1250-L1254 WeakPolarHBondContact O-CG 3.33Å; R1250-L1254 PolarHBondContact O-N 3.25Å; L1252-L1254 VanDerWaalsContact C-N 3.32Å; L1252-L1254 PolarHBondContact O-N 2.83Å; L1254-S1256 VanDerWaalsContact C-N 3.27Å; L1254-S1256 PolarHBondContact O-N 3.29Å
1255A83.8Confident83.6Confident6 Ų650.7 Ų50.75%0.0526%0.264CS..THydrogen-bonded Turntrans-85.812.4176.700000114L1236 L1238 N1251 L1252 L1253 D1257 N1258 I1259L1236-A1255 HydrophobicContact CB-CB 4.35Å; L1238-A1255 HydrophobicContact CD2-CB 4.11Å; N1251-A1255 WeakPolarHBondContact O-CB 3.36Å; N1251-A1255 PolarHBondContact O-N 2.96Å; N1251-A1255 VanDerWaalsContact O-N 3.09Å; L1252-A1255 CarbonylContact O-C 3.55Å; L1252-A1255 PolarHBondContact O-N 3.33Å; L1253-A1255 VanDerWaalsContact C-N 3.34Å; A1255-D1257 VanDerWaalsContact C-N 3.33Å; A1255-D1257 PolarHBondContact O-N 3.07Å; A1255-D1257 VanDerWaalsContact O-N 3.14Å; A1255-N1258 CarbonylContact O-C 3.41Å; A1255-N1258 WeakPolarHBondContact O-CA 3.41Å; A1255-N1258 WeakPolarHBondContact O-CB 3.35Å; A1255-N1258 PolarHBondContact O-N 3.36Å; A1255-N1258 VanDerWaalsContact O-N 3.09Å; A1255-I1259 HydrophobicContact CB-CD1 4.49Å; A1255-I1259 WeakPolarHBondContact O-CG1 3.38Å; A1255-I1259 PolarHBondContact O-N 3.06Å
1256S82.7Confident84.1Confident0 Ų047.1 Ų47.10%024%0.244CC..Hα-helixtrans-53.5-42.7-173.846.80000114K1208 L1252 L1253 L1254 N1258 I1259 I1260K1208-S1256 WeakPolarHBondContact CE-OG 3.41Å; K1208-S1256 PolarHBondContact NZ-OG 2.98Å; L1252-S1256 PolarHBondContact O-N 3.16Å; L1252-S1256 VanDerWaalsContact O-N 3.1Å; L1253-S1256 VanDerWaalsContact O-CB 3.25Å; L1253-S1256 WeakPolarHBondContact O-CB 3.33Å; L1253-S1256 PolarHBondContact O-N 3.35Å; L1253-S1256 PolarHBondContact O-OG 3.18Å; L1254-S1256 VanDerWaalsContact C-N 3.27Å; L1254-S1256 PolarHBondContact O-N 3.29Å; S1256-N1258 PolarHBondContact O-N 3.37Å; S1256-I1259 PolarHBondContact O-N 3.25Å; S1256-I1260 VanDerWaalsContact O-CG1 3.29Å; S1256-I1260 WeakPolarHBondContact O-CG1 3.26Å; S1256-I1260 PolarHBondContact O-N 2.94Å; S1256-I1260 VanDerWaalsContact O-N 3.1Å
1257D82.6Confident84.4Confident82.2 Ų82.244.7 Ų44.744%0.4423%0.234SC..Hα-helixtrans-66.6-40.4179.8-55.9-37.1000110.6K1208 A1255 I1259 I1260 D1261K1208-D1257 VanDerWaalsContact CE-OD1 3.28Å; K1208-D1257 WeakPolarHBondContact CE-OD1 3.35Å; K1208-D1257 VanDerWaalsContact NZ-CG 3.32Å; K1208-D1257 IonicContact NZ-OD1 3.34Å; K1208-D1257 PolarHBondContact NZ-OD1 3.01Å; K1208-D1257 IonicContact NZ-OD2 3.28Å; K1208-D1257 PolarHBondContact NZ-OD2 3.23Å; A1255-D1257 VanDerWaalsContact C-N 3.33Å; A1255-D1257 PolarHBondContact O-N 3.07Å; A1255-D1257 VanDerWaalsContact O-N 3.14Å; D1257-I1259 VanDerWaalsContact C-N 3.32Å; D1257-I1259 PolarHBondContact O-N 3.08Å; D1257-I1260 PolarHBondContact O-N 3.16Å; D1257-D1261 WeakPolarHBondContact O-CB 3.44Å; D1257-D1261 PolarHBondContact O-N 3.07Å; D1257-D1261 VanDerWaalsContact O-N 3.11Å
1258N84.8Confident84.5Confident47.2 Ų47.250.9 Ų50.925%0.25226%0.261SS..Hα-helixtrans-66.7-33.6175-65.2-38.4000112.6L1236 K1237 A1255 S1256 G1262L1236-N1258 PolarHBondContact O-ND2 3.18Å; L1236-N1258 VanDerWaalsContact O-ND2 3.11Å; K1237-N1258 PolarHBondContact NZ-OD1 2.87Å; K1237-N1258 VanDerWaalsContact NZ-OD1 3.07Å; A1255-N1258 CarbonylContact O-C 3.41Å; A1255-N1258 WeakPolarHBondContact O-CA 3.41Å; A1255-N1258 WeakPolarHBondContact O-CB 3.35Å; A1255-N1258 PolarHBondContact O-N 3.36Å; A1255-N1258 VanDerWaalsContact O-N 3.09Å; S1256-N1258 PolarHBondContact O-N 3.37Å; N1258-G1262 VanDerWaalsContact O-CA 3.24Å; N1258-G1262 WeakPolarHBondContact O-CA 3.39Å; N1258-G1262 PolarHBondContact O-N 3.22Å
1259I84.4Confident84.4Confident0 Ų050.1 Ų50.10%026%0.255CS..Hα-helixtrans-68.2-45.9177-66.9166.4000110.5L1212 H1215 L1216 L1236 L1252 A1255 S1256 D1257 G1262 I1263 I1266L1212-I1259 HydrophobicContact CD1-CB 3.73Å; L1212-I1259 HydrophobicContact CD1-CD1 3.86Å; L1212-I1259 HydrophobicContact CD1-CG1 4.38Å; L1212-I1259 HydrophobicContact CD1-CG2 3.59Å; H1215-I1259 HydrophobicContact CB-CG2 3.88Å; L1216-I1259 HydrophobicContact CD2-CD1 4.5Å; L1236-I1259 HydrophobicContact CD1-CG1 4.41Å; L1236-I1259 HydrophobicContact CD2-CB 4.43Å; L1236-I1259 HydrophobicContact CD2-CD1 4.17Å; L1236-I1259 HydrophobicContact CD2-CG1 3.31Å; L1252-I1259 HydrophobicContact CB-CD1 4.16Å; L1252-I1259 HydrophobicContact CD2-CD1 4.07Å; L1252-I1259 VanDerWaalsContact O-CD1 3.26Å; L1252-I1259 WeakPolarHBondContact O-CD1 3.33Å; A1255-I1259 HydrophobicContact CB-CD1 4.49Å; A1255-I1259 WeakPolarHBondContact O-CG1 3.38Å; A1255-I1259 PolarHBondContact O-N 3.06Å; S1256-I1259 PolarHBondContact O-N 3.25Å; D1257-I1259 VanDerWaalsContact C-N 3.32Å; D1257-I1259 PolarHBondContact O-N 3.08Å; I1259-G1262 CarbonylContact O-C 3.57Å; I1259-G1262 PolarHBondContact O-N 2.9Å; I1259-I1263 VanDerWaalsContact O-CA 3.3Å; I1259-I1263 WeakPolarHBondContact O-CA 3.37Å; I1259-I1263 WeakPolarHBondContact O-CB 3.36Å; I1259-I1263 PolarHBondContact O-N 3.16Å; I1259-I1266 HydrophobicContact CB-CD1 4.43Å; I1259-I1266 HydrophobicContact CG1-CD1 4.45Å; I1259-I1266 HydrophobicContact CG2-CD1 4.2Å
1260I83.8Confident84.4Confident49.2 Ų49.251.8 Ų51.825%0.25226%0.264SS..Hα-helixtrans-65-48.9-178.3-67.3166.4000109.7A1211 L1212 S1256 D1257 G1262 I1263A1211-I1260 HydrophobicContact CB-CD1 4.18Å; L1212-I1260 HydrophobicContact CB-CD1 4.43Å; L1212-I1260 HydrophobicContact CD1-CG1 4.31Å; S1256-I1260 VanDerWaalsContact O-CG1 3.29Å; S1256-I1260 WeakPolarHBondContact O-CG1 3.26Å; S1256-I1260 PolarHBondContact O-N 2.94Å; S1256-I1260 VanDerWaalsContact O-N 3.1Å; D1257-I1260 PolarHBondContact O-N 3.16Å; I1260-G1262 VanDerWaalsContact C-N 3.34Å; I1260-G1262 PolarHBondContact O-N 3.33Å; I1260-I1263 VanDerWaalsContact O-CG2 3.27Å; I1260-I1263 WeakPolarHBondContact O-CG2 3.35Å; I1260-I1263 PolarHBondContact O-N 3.23Å
1261D84.8Confident84.2Confident139 Ų13948.5 Ų48.574%0.74326%0.261SS*.Hα-helixtrans-68.3-35.7178.5-70-13.6000112.3D1257 I1263D1257-D1261 WeakPolarHBondContact O-CB 3.44Å; D1257-D1261 PolarHBondContact O-N 3.07Å; D1257-D1261 VanDerWaalsContact O-N 3.11Å; D1261-I1263 VanDerWaalsContact C-N 3.34Å; D1261-I1263 PolarHBondContact O-N 3.06Å
1262G83.2Confident84Confident15.6 Ų15.648.5 Ų48.516%0.16126%0.264CS..THydrogen-bonded Turntrans-88.73.5-175.500000115.8N1258 I1259 I1260 S1264 N1265 I1266N1258-G1262 VanDerWaalsContact O-CA 3.24Å; N1258-G1262 WeakPolarHBondContact O-CA 3.39Å; N1258-G1262 PolarHBondContact O-N 3.22Å; I1259-G1262 CarbonylContact O-C 3.57Å; I1259-G1262 PolarHBondContact O-N 2.9Å; I1260-G1262 VanDerWaalsContact C-N 3.34Å; I1260-G1262 PolarHBondContact O-N 3.33Å; G1262-S1264 VanDerWaalsContact C-N 3.28Å; G1262-S1264 PolarHBondContact O-N 3.06Å; G1262-S1264 VanDerWaalsContact O-N 3.11Å; G1262-N1265 WeakPolarHBondContact O-CA 3.3Å; G1262-N1265 WeakPolarHBondContact O-CB 3.26Å; G1262-N1265 PolarHBondContact O-N 3.1Å; G1262-N1265 VanDerWaalsContact O-N 3.08Å; G1262-I1266 PolarHBondContact O-N 3.28Å; G1262-I1266 VanDerWaalsContact O-N 3.16Å
1263I85.6Confident83.9Confident26.8 Ų26.848.5 Ų48.514%0.13726%0.264CS..Hα-helixtrans-57.7-34-169.2-170.261000114.1H1215 F1218 I1259 I1260 D1261 N1265 I1266 K1267H1215-I1263 HydrophobicContact CB-CD1 3.82Å; H1215-I1263 HydrophobicContact CB-CG1 4.41Å; H1215-I1263 WeakPolarHBondContact ND1-CD1 3.37Å; H1215-I1263 VanDerWaalsContact ND1-CG1 3.32Å; H1215-I1263 WeakPolarHBondContact ND1-CG1 3.32Å; F1218-I1263 HydrophobicContact CB-CD1 4.35Å; F1218-I1263 HydrophobicContact CD2-CD1 3.85Å; F1218-I1263 HydrophobicContact CE2-CD1 4.43Å; F1218-I1263 HydrophobicContact CG-CD1 4.4Å; I1259-I1263 VanDerWaalsContact O-CA 3.3Å; I1259-I1263 WeakPolarHBondContact O-CA 3.37Å; I1259-I1263 WeakPolarHBondContact O-CB 3.36Å; I1259-I1263 PolarHBondContact O-N 3.16Å; I1260-I1263 VanDerWaalsContact O-CG2 3.27Å; I1260-I1263 WeakPolarHBondContact O-CG2 3.35Å; I1260-I1263 PolarHBondContact O-N 3.23Å; D1261-I1263 VanDerWaalsContact C-N 3.34Å; D1261-I1263 PolarHBondContact O-N 3.06Å; I1263-N1265 VanDerWaalsContact C-N 3.28Å; I1263-N1265 PolarHBondContact O-N 3.23Å; I1263-I1266 HydrophobicContact CD1-CB 4.46Å; I1263-I1266 PolarHBondContact O-N 3.08Å; I1263-K1267 HydrophobicContact CD1-CG 4.4Å; I1263-K1267 HydrophobicContact CG1-CD 4.35Å; I1263-K1267 HydrophobicContact CG1-CG 4.34Å; I1263-K1267 WeakPolarHBondContact O-CB 3.19Å; I1263-K1267 WeakPolarHBondContact O-CG 3.38Å; I1263-K1267 PolarHBondContact O-N 3.14Å
1264S84.7Confident83.7Confident66.2 Ų66.253.2 Ų53.246%0.46329%0.286SS..Hα-helixtrans-61.4-38.2178.3166.30000111.6G1262 K1268G1262-S1264 VanDerWaalsContact C-N 3.28Å; G1262-S1264 PolarHBondContact O-N 3.06Å; G1262-S1264 VanDerWaalsContact O-N 3.11Å; S1264-K1268 WeakPolarHBondContact O-CB 3.49Å; S1264-K1268 VanDerWaalsContact O-CG 3.24Å; S1264-K1268 WeakPolarHBondContact O-CG 3.31Å; S1264-K1268 PolarHBondContact O-N 3.23Å; S1264-K1268 VanDerWaalsContact O-N 3.1Å
1265N86.9Confident83.5Confident77.8 Ų77.850.1 Ų50.142%0.41627%0.271SS..Hα-helixtrans-74.8-39.9179.1-64.1-27000111.2L1235 G1262 I1263 K1267 K1268 L1269L1235-N1265 HydrophobicContact CD1-CB 4.06Å; L1235-N1265 HydrophobicContact CD2-CB 3.88Å; G1262-N1265 WeakPolarHBondContact O-CA 3.3Å; G1262-N1265 WeakPolarHBondContact O-CB 3.26Å; G1262-N1265 PolarHBondContact O-N 3.1Å; G1262-N1265 VanDerWaalsContact O-N 3.08Å; I1263-N1265 VanDerWaalsContact C-N 3.28Å; I1263-N1265 PolarHBondContact O-N 3.23Å; N1265-K1267 VanDerWaalsContact C-N 3.35Å; N1265-K1267 PolarHBondContact O-N 3.17Å; N1265-K1268 WeakPolarHBondContact O-CB 3.45Å; N1265-K1268 PolarHBondContact O-N 3.04Å; N1265-L1269 WeakPolarHBondContact O-CB 3.29Å; N1265-L1269 PolarHBondContact O-N 3.08Å
1266I85.6Confident83.3Confident1 Ų150.8 Ų50.81%0.00527%0.273CS..Hα-helixtrans-63-42.9176.1-60.7171.7000110.8F1218 F1232 L1235 L1236 I1259 G1262 I1263 K1268 L1269 N1270F1218-I1266 HydrophobicContact CB-CG2 3.99Å; F1218-I1266 WeakPolarHBondContact O-CG2 3.41Å; F1232-I1266 HydrophobicContact CD2-CG1 4.48Å; F1232-I1266 HydrophobicContact CD2-CG2 4.39Å; F1232-I1266 HydrophobicContact CE2-CD1 4.29Å; F1232-I1266 HydrophobicContact CE2-CG1 4.36Å; F1232-I1266 HydrophobicContact CE2-CG2 4.02Å; L1235-I1266 HydrophobicContact CD1-CG1 4.43Å; L1236-I1266 HydrophobicContact CD2-CD1 4.08Å; I1259-I1266 HydrophobicContact CB-CD1 4.43Å; I1259-I1266 HydrophobicContact CG1-CD1 4.45Å; I1259-I1266 HydrophobicContact CG2-CD1 4.2Å; G1262-I1266 PolarHBondContact O-N 3.28Å; G1262-I1266 VanDerWaalsContact O-N 3.16Å; I1263-I1266 HydrophobicContact CD1-CB 4.46Å; I1263-I1266 PolarHBondContact O-N 3.08Å; I1266-K1268 VanDerWaalsContact C-N 3.33Å; I1266-K1268 PolarHBondContact O-N 3.23Å; I1266-L1269 WeakPolarHBondContact O-CB 3.5Å; I1266-L1269 PolarHBondContact O-N 3.27Å; I1266-N1270 PolarHBondContact O-N 3.06Å; I1266-N1270 VanDerWaalsContact O-N 3.11Å
1267K84.4Confident83.2Confident97 Ų9752.5 Ų52.542%0.42228%0.284SS..Hα-helixtrans-60.1-44.3174.7-77.8178.7177.2179.20112F1218 I1263 N1265 L1269 N1270 S1271F1218-K1267 HydrophobicContact CD1-CG 3.87Å; F1218-K1267 HydrophobicContact CD2-CG 4.27Å; F1218-K1267 HydrophobicContact CE1-CD 4.38Å; F1218-K1267 HydrophobicContact CE1-CG 3.98Å; F1218-K1267 HydrophobicContact CE2-CD 4.45Å; F1218-K1267 HydrophobicContact CE2-CG 4.36Å; F1218-K1267 HydrophobicContact CG-CG 4.01Å; F1218-K1267 HydrophobicContact CZ-CD 4.28Å; F1218-K1267 VanDerWaalsContact CZ-CE 3.44Å; F1218-K1267 HydrophobicContact CZ-CG 4.23Å; I1263-K1267 HydrophobicContact CD1-CG 4.4Å; I1263-K1267 HydrophobicContact CG1-CD 4.35Å; I1263-K1267 HydrophobicContact CG1-CG 4.34Å; I1263-K1267 WeakPolarHBondContact O-CB 3.19Å; I1263-K1267 WeakPolarHBondContact O-CG 3.38Å; I1263-K1267 PolarHBondContact O-N 3.14Å; N1265-K1267 VanDerWaalsContact C-N 3.35Å; N1265-K1267 PolarHBondContact O-N 3.17Å; K1267-L1269 VanDerWaalsContact C-N 3.34Å; K1267-L1269 PolarHBondContact O-N 3.26Å; K1267-N1270 PolarHBondContact O-N 3.3Å; K1267-S1271 WeakPolarHBondContact O-CB 3.24Å; K1267-S1271 PolarHBondContact O-N 3.19Å; K1267-S1271 VanDerWaalsContact O-N 3.09Å; K1267-S1271 PolarHBondContact O-OG 3.21Å; K1267-S1271 VanDerWaalsContact O-OG 3.11Å
1268K84.3Confident83Confident134 Ų13451.5 Ų51.558%0.58328%0.283SS*.Hα-helixtrans-60.8-44176-75.3174.7-178.2179.50111.6S1264 N1265 I1266 N1270 S1271 S1272S1264-K1268 WeakPolarHBondContact O-CB 3.49Å; S1264-K1268 VanDerWaalsContact O-CG 3.24Å; S1264-K1268 WeakPolarHBondContact O-CG 3.31Å; S1264-K1268 PolarHBondContact O-N 3.23Å; S1264-K1268 VanDerWaalsContact O-N 3.1Å; N1265-K1268 WeakPolarHBondContact O-CB 3.45Å; N1265-K1268 PolarHBondContact O-N 3.04Å; I1266-K1268 VanDerWaalsContact C-N 3.33Å; I1266-K1268 PolarHBondContact O-N 3.23Å; K1268-N1270 VanDerWaalsContact C-N 3.33Å; K1268-N1270 PolarHBondContact O-N 3.07Å; K1268-S1271 WeakPolarHBondContact CA-OG 3.28Å; K1268-S1271 PolarHBondContact O-N 3.19Å; K1268-S1271 PolarHBondContact O-OG 3.32Å; K1268-S1272 VanDerWaalsContact O-CB 3.27Å; K1268-S1272 WeakPolarHBondContact O-CB 3.35Å; K1268-S1272 PolarHBondContact O-N 3.19Å
1269L84.9Confident82.8Confident19 Ų1949.4 Ų49.410%0.09927%0.272CS..Hα-helixtrans-60.1-45.2176.9-172.267.6000111.5F1224 H1228 E1231 F1232 L1235 N1265 I1266 K1267 S1272 A1273F1224-L1269 HydrophobicContact CE1-CD2 4.28Å; F1224-L1269 HydrophobicContact CE1-CG 4.04Å; F1224-L1269 HydrophobicContact CE2-CD2 4.11Å; F1224-L1269 HydrophobicContact CZ-CB 4.36Å; F1224-L1269 HydrophobicContact CZ-CD2 3.76Å; F1224-L1269 HydrophobicContact CZ-CG 3.98Å; H1228-L1269 HydrophobicContact CB-CD1 4.43Å; E1231-L1269 HydrophobicContact CB-CD1 4.33Å; E1231-L1269 HydrophobicContact CB-CD2 4.42Å; E1231-L1269 HydrophobicContact CG-CD1 4.02Å; E1231-L1269 HydrophobicContact CG-CD2 4.4Å; E1231-L1269 WeakPolarHBondContact OE2-CD1 3.41Å; F1232-L1269 HydrophobicContact CB-CD2 3.92Å; F1232-L1269 HydrophobicContact CD2-CD2 4.42Å; L1235-L1269 HydrophobicContact CD1-CD2 4.32Å; N1265-L1269 WeakPolarHBondContact O-CB 3.29Å; N1265-L1269 PolarHBondContact O-N 3.08Å; I1266-L1269 WeakPolarHBondContact O-CB 3.5Å; I1266-L1269 PolarHBondContact O-N 3.27Å; K1267-L1269 VanDerWaalsContact C-N 3.34Å; K1267-L1269 PolarHBondContact O-N 3.26Å; L1269-S1272 WeakPolarHBondContact O-CB 3.33Å; L1269-S1272 PolarHBondContact O-N 3.25Å; L1269-A1273 WeakPolarHBondContact O-CB 3.34Å; L1269-A1273 PolarHBondContact O-N 3.28Å
1270N84.5Confident82.6Confident34.2 Ų34.253.6 Ų53.618%0.18329%0.288CS..Hα-helixtrans-65.2-42.9177.5-163.333.4000113.2F1224 I1266 K1267 K1268 S1272 A1273 Q1274F1224-N1270 HydrophobicContact CE1-CB 4.24Å; F1224-N1270 HydrophobicContact CZ-CB 4.48Å; I1266-N1270 PolarHBondContact O-N 3.06Å; I1266-N1270 VanDerWaalsContact O-N 3.11Å; K1267-N1270 PolarHBondContact O-N 3.3Å; K1268-N1270 VanDerWaalsContact C-N 3.33Å; K1268-N1270 PolarHBondContact O-N 3.07Å; N1270-S1272 VanDerWaalsContact C-N 3.3Å; N1270-S1272 PolarHBondContact O-N 3.14Å; N1270-A1273 PolarHBondContact O-N 3.2Å; N1270-Q1274 WeakPolarHBondContact O-CB 3.33Å; N1270-Q1274 PolarHBondContact O-N 3.18Å; N1270-Q1274 VanDerWaalsContact O-N 3.15Å
1271S81.5Confident82.7Confident64.2 Ų64.257.4 Ų57.445%0.44931%0.305SS..Hα-helixtrans-64.1-35.717442.80000112.7K1267 K1268 V1275K1267-S1271 WeakPolarHBondContact O-CB 3.24Å; K1267-S1271 PolarHBondContact O-N 3.19Å; K1267-S1271 VanDerWaalsContact O-N 3.09Å; K1267-S1271 PolarHBondContact O-OG 3.21Å; K1267-S1271 VanDerWaalsContact O-OG 3.11Å; K1268-S1271 WeakPolarHBondContact CA-OG 3.28Å; K1268-S1271 PolarHBondContact O-N 3.19Å; K1268-S1271 PolarHBondContact O-OG 3.32Å; S1271-V1275 WeakPolarHBondContact O-CB 3.35Å; S1271-V1275 VanDerWaalsContact O-CG2 3.32Å; S1271-V1275 WeakPolarHBondContact O-CG2 3.34Å; S1271-V1275 PolarHBondContact O-N 3.03Å; S1271-V1275 VanDerWaalsContact O-N 3.07Å
1272S80.7Confident82.6Confident30.4 Ų30.451.1 Ų51.121%0.21327%0.272CS..Hα-helixtrans-64.7-49.6176.7-175.60000111K1268 L1269 N1270 Q1274 V1275 E1276 S1335 L1336K1268-S1272 VanDerWaalsContact O-CB 3.27Å; K1268-S1272 WeakPolarHBondContact O-CB 3.35Å; K1268-S1272 PolarHBondContact O-N 3.19Å; L1269-S1272 WeakPolarHBondContact O-CB 3.33Å; L1269-S1272 PolarHBondContact O-N 3.25Å; N1270-S1272 VanDerWaalsContact C-N 3.3Å; N1270-S1272 PolarHBondContact O-N 3.14Å; S1272-Q1274 VanDerWaalsContact C-N 3.32Å; S1272-Q1274 PolarHBondContact O-N 3.16Å; S1272-V1275 PolarHBondContact O-N 3.28Å; S1272-E1276 WeakPolarHBondContact O-CB 3.32Å; S1272-E1276 PolarHBondContact O-N 3.05Å; S1272-E1276 VanDerWaalsContact O-N 3.12Å; S1272-S1335 WeakPolarHBondContact OG-CB 3.26Å; S1272-S1335 PolarHBondContact OG-OG 3.27Å; S1272-S1335 VanDerWaalsContact OG-OG 3.12Å; S1272-L1336 VanDerWaalsContact O-CD1 3.28Å; S1272-L1336 WeakPolarHBondContact O-CD1 3.45Å; S1272-L1336 VanDerWaalsContact OG-CD2 3.31Å; S1272-L1336 WeakPolarHBondContact OG-CD2 3.29Å
1273A81.5Confident82.7Confident0 Ų050.6 Ų50.60%027%0.266CS..Hα-helixtrans-60.7-40.6179.600000112.3H1223 F1224 L1269 N1270 V1275 E1276 V1277H1223-A1273 HydrophobicContact CB-CB 3.97Å; H1223-A1273 WeakPolarHBondContact O-CB 3.31Å; F1224-A1273 HydrophobicContact CD1-CB 3.83Å; F1224-A1273 HydrophobicContact CE1-CB 4.21Å; L1269-A1273 WeakPolarHBondContact O-CB 3.34Å; L1269-A1273 PolarHBondContact O-N 3.28Å; N1270-A1273 PolarHBondContact O-N 3.2Å; A1273-V1275 PolarHBondContact O-N 3.26Å; A1273-E1276 WeakPolarHBondContact O-CA 3.48Å; A1273-E1276 VanDerWaalsContact O-CB 3.25Å; A1273-E1276 WeakPolarHBondContact O-CB 3.21Å; A1273-E1276 PolarHBondContact O-N 3.29Å; A1273-E1276 VanDerWaalsContact O-N 3.16Å; A1273-V1277 WeakPolarHBondContact O-CG2 3.28Å; A1273-V1277 PolarHBondContact O-N 3.2Å
1274Q80.9Confident82.7Confident109.4 Ų109.451.6 Ų51.651%0.51128%0.278SS..Hα-helixtrans-63.4-46.3178.3-1731801.700112.5N1270 S1272 E1276 V1277 S1278N1270-Q1274 WeakPolarHBondContact O-CB 3.33Å; N1270-Q1274 PolarHBondContact O-N 3.18Å; N1270-Q1274 VanDerWaalsContact O-N 3.15Å; S1272-Q1274 VanDerWaalsContact C-N 3.32Å; S1272-Q1274 PolarHBondContact O-N 3.16Å; Q1274-E1276 VanDerWaalsContact C-N 3.29Å; Q1274-E1276 PolarHBondContact O-N 3.24Å; Q1274-V1277 PolarHBondContact O-N 3.3Å; Q1274-S1278 PolarHBondContact O-N 3.24Å; Q1274-S1278 PolarHBondContact O-OG 3.14Å
1275V77.5Confident82.9Confident52.2 Ų52.252.5 Ų52.532%0.31628%0.275SS..Hα-helixtrans-66.2-35.1177173.70000110.5S1271 S1272 A1273 V1277 S1278 I1279 L1336S1271-V1275 WeakPolarHBondContact O-CB 3.35Å; S1271-V1275 VanDerWaalsContact O-CG2 3.32Å; S1271-V1275 WeakPolarHBondContact O-CG2 3.34Å; S1271-V1275 PolarHBondContact O-N 3.03Å; S1271-V1275 VanDerWaalsContact O-N 3.07Å; S1272-V1275 PolarHBondContact O-N 3.28Å; A1273-V1275 PolarHBondContact O-N 3.26Å; V1275-V1277 VanDerWaalsContact C-N 3.28Å; V1275-V1277 PolarHBondContact O-N 3.01Å; V1275-S1278 PolarHBondContact O-N 2.98Å; V1275-S1278 PolarHBondContact O-OG 3.14Å; V1275-I1279 HydrophobicContact CG1-CD1 4.02Å; V1275-I1279 HydrophobicContact CG1-CG1 4.42Å; V1275-I1279 WeakPolarHBondContact O-CD1 3.18Å; V1275-I1279 WeakPolarHBondContact O-CG1 3.33Å; V1275-I1279 PolarHBondContact O-N 3.12Å; V1275-I1279 VanDerWaalsContact O-N 3.14Å; V1275-L1336 HydrophobicContact CB-CD1 3.59Å; V1275-L1336 VanDerWaalsContact CB-CD1 3.48Å; V1275-L1336 HydrophobicContact CB-CG 4.36Å; V1275-L1336 HydrophobicContact CG1-CB 4.38Å; V1275-L1336 HydrophobicContact CG1-CD1 3.67Å; V1275-L1336 VanDerWaalsContact CG1-CD1 3.48Å; V1275-L1336 HydrophobicContact CG1-CG 4.12Å; V1275-L1336 HydrophobicContact CG2-CD1 4.22Å
1276E79.7Confident83Confident20.4 Ų20.448.8 Ų48.810%0.09526%0.255CS..Hα-helixtrans-62.7-38.1175.8-176.9173.616400113.2H1228 S1272 A1273 Q1274 S1278 I1279 R1280 L1336 N1337 V1339 Q1340H1228-E1276 IonicContact CE1-OE2 3.22Å; H1228-E1276 PolarHBondContact CE1-OE2 3.11Å; H1228-E1276 VanDerWaalsContact CE1-OE2 3.24Å; H1228-E1276 IonicContact NE2-OE2 3.1Å; H1228-E1276 PolarHBondContact NE2-OE2 2.92Å; S1272-E1276 WeakPolarHBondContact O-CB 3.32Å; S1272-E1276 PolarHBondContact O-N 3.05Å; S1272-E1276 VanDerWaalsContact O-N 3.12Å; A1273-E1276 WeakPolarHBondContact O-CA 3.48Å; A1273-E1276 VanDerWaalsContact O-CB 3.25Å; A1273-E1276 WeakPolarHBondContact O-CB 3.21Å; A1273-E1276 PolarHBondContact O-N 3.29Å; A1273-E1276 VanDerWaalsContact O-N 3.16Å; Q1274-E1276 VanDerWaalsContact C-N 3.29Å; Q1274-E1276 PolarHBondContact O-N 3.24Å; E1276-S1278 PolarHBondContact O-N 2.96Å; E1276-I1279 WeakPolarHBondContact O-CB 3.32Å; E1276-I1279 PolarHBondContact O-N 3.02Å; E1276-R1280 WeakPolarHBondContact O-CG 3.2Å; E1276-R1280 PolarHBondContact O-N 3.26Å; E1276-R1280 VanDerWaalsContact O-N 3.09Å; E1276-R1280 PolarHBondContact O-NE 3.43Å; E1276-R1280 IonicContact OE1-CZ 3.35Å; E1276-R1280 VanDerWaalsContact OE1-CZ 3.28Å; E1276-R1280 IonicContact OE1-NE 3.37Å; E1276-R1280 PolarHBondContact OE1-NE 3.21Å; E1276-R1280 IonicContact OE1-NH2 3.37Å; E1276-R1280 PolarHBondContact OE1-NH2 3.1Å; E1276-L1336 HydrophobicContact CB-CD1 4.27Å; E1276-N1337 PolarHBondContact OE2-ND2 2.86Å; E1276-V1339 HydrophobicContact CB-CG1 4.07Å; E1276-V1339 HydrophobicContact CB-CG2 4.47Å; E1276-V1339 HydrophobicContact CG-CG1 3.69Å; E1276-V1339 VanDerWaalsContact CG-CG1 3.49Å; E1276-V1339 HydrophobicContact CG-CG2 4.42Å; E1276-V1339 VanDerWaalsContact OE1-CG1 3.24Å; E1276-V1339 WeakPolarHBondContact OE1-CG1 3.45Å; E1276-V1339 WeakPolarHBondContact OE2-CG2 3.45Å; E1276-Q1340 VanDerWaalsContact CG-CD 3.5Å; E1276-Q1340 VanDerWaalsContact CG-NE2 3.31Å; E1276-Q1340 PolarHBondContact OE1-NE2 3.14Å
1277V80.9Confident83.1Confident36.2 Ų36.252.4 Ų52.422%0.21927%0.274CS..Hα-helixtrans-61.5-45.7175.8172.50000111.2H1223 A1273 Q1274 V1275 I1279 R1280 E1281H1223-V1277 HydrophobicContact CB-CG2 4.1Å; A1273-V1277 WeakPolarHBondContact O-CG2 3.28Å; A1273-V1277 PolarHBondContact O-N 3.2Å; Q1274-V1277 PolarHBondContact O-N 3.3Å; V1275-V1277 VanDerWaalsContact C-N 3.28Å; V1275-V1277 PolarHBondContact O-N 3.01Å; V1277-I1279 VanDerWaalsContact C-N 3.28Å; V1277-I1279 PolarHBondContact O-N 3.21Å; V1277-R1280 WeakPolarHBondContact O-CB 3.36Å; V1277-R1280 PolarHBondContact O-N 3.23Å; V1277-R1280 VanDerWaalsContact O-N 3.11Å; V1277-E1281 HydrophobicContact CG1-CG 4.35Å; V1277-E1281 WeakPolarHBondContact O-CB 3.1Å; V1277-E1281 WeakPolarHBondContact O-CG 3.39Å; V1277-E1281 PolarHBondContact O-N 3.18Å
1278S79.6Confident83.3Confident61.4 Ų61.451.8 Ų51.843%0.42928%0.279SS..Hα-helixtrans-63.4-33.917825.20000112.8Q1274 V1275 E1276 E1281 A1282Q1274-S1278 PolarHBondContact O-N 3.24Å; Q1274-S1278 PolarHBondContact O-OG 3.14Å; V1275-S1278 PolarHBondContact O-N 2.98Å; V1275-S1278 PolarHBondContact O-OG 3.14Å; E1276-S1278 PolarHBondContact O-N 2.96Å; S1278-E1281 PolarHBondContact O-N 3.46Å; S1278-A1282 VanDerWaalsContact O-CB 3.27Å; S1278-A1282 WeakPolarHBondContact O-CB 3.38Å; S1278-A1282 PolarHBondContact O-N 3.33Å; S1278-A1282 VanDerWaalsContact O-N 3.1Å
1279I80Confident83.6Confident3.2 Ų3.246.3 Ų46.32%0.01626%0.255CS..Hα-helixtrans-64.3-45172.9-66163.4000110.6V1275 E1276 V1277 E1281 A1282 I1283 I1331 L1336 V1339 Q1340 R1344V1275-I1279 HydrophobicContact CG1-CD1 4.02Å; V1275-I1279 HydrophobicContact CG1-CG1 4.42Å; V1275-I1279 WeakPolarHBondContact O-CD1 3.18Å; V1275-I1279 WeakPolarHBondContact O-CG1 3.33Å; V1275-I1279 PolarHBondContact O-N 3.12Å; V1275-I1279 VanDerWaalsContact O-N 3.14Å; E1276-I1279 WeakPolarHBondContact O-CB 3.32Å; E1276-I1279 PolarHBondContact O-N 3.02Å; V1277-I1279 VanDerWaalsContact C-N 3.28Å; V1277-I1279 PolarHBondContact O-N 3.21Å; I1279-E1281 VanDerWaalsContact C-N 3.34Å; I1279-A1282 PolarHBondContact O-N 3.26Å; I1279-I1283 HydrophobicContact CG2-CD1 3.78Å; I1279-I1283 HydrophobicContact CG2-CG1 4.44Å; I1279-I1283 WeakPolarHBondContact O-CB 3.39Å; I1279-I1283 VanDerWaalsContact O-CG1 3.29Å; I1279-I1283 WeakPolarHBondContact O-CG1 3.38Å; I1279-I1283 PolarHBondContact O-N 3.27Å; I1279-I1283 VanDerWaalsContact O-N 3.08Å; I1279-I1331 HydrophobicContact CB-CG2 4.44Å; I1279-I1331 HydrophobicContact CD1-CG2 4.22Å; I1279-I1331 HydrophobicContact CG1-CG2 3.66Å; I1279-I1331 HydrophobicContact CG2-CG2 4.29Å; I1279-L1336 HydrophobicContact CB-CD2 4.38Å; I1279-L1336 HydrophobicContact CD1-CB 4.19Å; I1279-L1336 HydrophobicContact CD1-CD1 4.41Å; I1279-L1336 HydrophobicContact CD1-CD2 3.34Å; I1279-L1336 HydrophobicContact CD1-CG 3.67Å; I1279-L1336 HydrophobicContact CG1-CD2 3.93Å; I1279-L1336 HydrophobicContact CG2-CD2 3.69Å; I1279-V1339 HydrophobicContact CD1-CB 4.27Å; I1279-V1339 HydrophobicContact CD1-CG1 4.28Å; I1279-V1339 HydrophobicContact CG2-CG1 4.4Å; I1279-Q1340 HydrophobicContact CG2-CB 4.39Å; I1279-Q1340 VanDerWaalsContact CG2-OE1 3.3Å; I1279-R1344 VanDerWaalsContact CD1-NH1 3.25Å
1280R80.8Confident83.7Confident89 Ų8946.1 Ų46.134%0.33626%0.256SS..Hα-helixtrans-63.3-43.8179-71.2-177.1-135.8168-4.5111.8D1225 E1276 V1277 A1282 I1283 A1284D1225-R1280 IonicContact OD2-CZ 3.19Å; D1225-R1280 IonicContact OD2-NH1 3.28Å; D1225-R1280 PolarHBondContact OD2-NH1 2.87Å; D1225-R1280 IonicContact OD2-NH2 3.36Å; D1225-R1280 PolarHBondContact OD2-NH2 3.16Å; E1276-R1280 WeakPolarHBondContact O-CG 3.2Å; E1276-R1280 PolarHBondContact O-N 3.26Å; E1276-R1280 VanDerWaalsContact O-N 3.09Å; E1276-R1280 PolarHBondContact O-NE 3.43Å; E1276-R1280 IonicContact OE1-CZ 3.35Å; E1276-R1280 VanDerWaalsContact OE1-CZ 3.28Å; E1276-R1280 IonicContact OE1-NE 3.37Å; E1276-R1280 PolarHBondContact OE1-NE 3.21Å; E1276-R1280 IonicContact OE1-NH2 3.37Å; E1276-R1280 PolarHBondContact OE1-NH2 3.1Å; V1277-R1280 WeakPolarHBondContact O-CB 3.36Å; V1277-R1280 PolarHBondContact O-N 3.23Å; V1277-R1280 VanDerWaalsContact O-N 3.11Å; R1280-A1282 VanDerWaalsContact C-N 3.33Å; R1280-A1282 PolarHBondContact O-N 2.95Å; R1280-I1283 PolarHBondContact O-N 3.24Å; R1280-A1284 WeakPolarHBondContact O-CB 3.3Å; R1280-A1284 PolarHBondContact O-N 3.02Å
1281E84.2Confident83.7Confident128.4 Ų128.447.5 Ų47.560%0.627%0.272SS*.Hα-helixtrans-62.2-45.3177.9-72.4176.7163.300111.5V1277 S1278 I1279 I1283 A1284 E1285V1277-E1281 HydrophobicContact CG1-CG 4.35Å; V1277-E1281 WeakPolarHBondContact O-CB 3.1Å; V1277-E1281 WeakPolarHBondContact O-CG 3.39Å; V1277-E1281 PolarHBondContact O-N 3.18Å; S1278-E1281 PolarHBondContact O-N 3.46Å; I1279-E1281 VanDerWaalsContact C-N 3.34Å; E1281-I1283 VanDerWaalsContact C-N 3.34Å; E1281-I1283 PolarHBondContact O-N 3.12Å; E1281-A1284 CarbonylContact O-C 3.59Å; E1281-A1284 WeakPolarHBondContact O-CB 3.13Å; E1281-A1284 PolarHBondContact O-N 3.02Å; E1281-E1285 WeakPolarHBondContact O-CB 3.37Å; E1281-E1285 PolarHBondContact O-N 3.25Å
1282A83.6Confident84Confident7.4 Ų7.449 Ų496%0.06128%0.278CS..Hα-helixtrans-65.3-37.4177.100000112.9S1278 I1279 R1280 E1285 L1286 L1327 I1331S1278-A1282 VanDerWaalsContact O-CB 3.27Å; S1278-A1282 WeakPolarHBondContact O-CB 3.38Å; S1278-A1282 PolarHBondContact O-N 3.33Å; S1278-A1282 VanDerWaalsContact O-N 3.1Å; I1279-A1282 PolarHBondContact O-N 3.26Å; R1280-A1282 VanDerWaalsContact C-N 3.33Å; R1280-A1282 PolarHBondContact O-N 2.95Å; A1282-E1285 WeakPolarHBondContact O-CB 3.2Å; A1282-E1285 PolarHBondContact O-N 3.17Å; A1282-L1286 VanDerWaalsContact O-CG 3.29Å; A1282-L1286 WeakPolarHBondContact O-CG 3.35Å; A1282-L1286 PolarHBondContact O-N 3.12Å; A1282-L1286 VanDerWaalsContact O-N 3.11Å; A1282-L1327 HydrophobicContact CB-CD1 4.38Å; A1282-L1327 HydrophobicContact CB-CD2 4.1Å; A1282-L1327 HydrophobicContact CB-CG 4.25Å; A1282-I1331 HydrophobicContact CB-CD1 3.32Å; A1282-I1331 VanDerWaalsContact CB-CD1 3.44Å; A1282-I1331 HydrophobicContact CB-CG1 4.42Å
1283I84.6Confident84.3Confident4.8 Ų4.848 Ų483%0.02527%0.272CS..Hα-helixtrans-67.3-39.6173.9-69.4168.4000110.8I1279 R1280 E1281 E1285 L1286 D1287 Q1340 K1343 R1344I1279-I1283 HydrophobicContact CG2-CD1 3.78Å; I1279-I1283 HydrophobicContact CG2-CG1 4.44Å; I1279-I1283 WeakPolarHBondContact O-CB 3.39Å; I1279-I1283 VanDerWaalsContact O-CG1 3.29Å; I1279-I1283 WeakPolarHBondContact O-CG1 3.38Å; I1279-I1283 PolarHBondContact O-N 3.27Å; I1279-I1283 VanDerWaalsContact O-N 3.08Å; R1280-I1283 PolarHBondContact O-N 3.24Å; E1281-I1283 VanDerWaalsContact C-N 3.34Å; E1281-I1283 PolarHBondContact O-N 3.12Å; I1283-E1285 VanDerWaalsContact C-N 3.31Å; I1283-E1285 PolarHBondContact O-N 3.09Å; I1283-L1286 WeakPolarHBondContact O-CB 3.4Å; I1283-L1286 PolarHBondContact O-N 3.24Å; I1283-L1286 VanDerWaalsContact O-N 3.14Å; I1283-D1287 PolarHBondContact O-N 3.21Å; I1283-Q1340 HydrophobicContact CD1-CB 3.97Å; I1283-Q1340 HydrophobicContact CD1-CG 4.48Å; I1283-K1343 HydrophobicContact CD1-CB 4.2Å; I1283-K1343 HydrophobicContact CG2-CB 4.43Å; I1283-K1343 HydrophobicContact CG2-CD 4.2Å; I1283-R1344 HydrophobicContact CD1-CG 3.78Å; I1283-R1344 HydrophobicContact CG1-CG 4.44Å
1284A86.8Confident84.6Confident48.4 Ų48.451.5 Ų51.540%0.429%0.293SS..Hα-helixtrans-64.9-35.5174.600000112.2R1280 E1281 L1286 D1287 T1288R1280-A1284 WeakPolarHBondContact O-CB 3.3Å; R1280-A1284 PolarHBondContact O-N 3.02Å; E1281-A1284 CarbonylContact O-C 3.59Å; E1281-A1284 WeakPolarHBondContact O-CB 3.13Å; E1281-A1284 PolarHBondContact O-N 3.02Å; A1284-L1286 VanDerWaalsContact C-N 3.33Å; A1284-D1287 PolarHBondContact O-N 3.06Å; A1284-T1288 WeakPolarHBondContact O-CB 3.34Å; A1284-T1288 VanDerWaalsContact O-CG2 3.32Å; A1284-T1288 WeakPolarHBondContact O-CG2 3.37Å; A1284-T1288 PolarHBondContact O-N 3.26Å; A1284-T1288 PolarHBondContact O-OG1 3.08Å
1285E88.7Confident84.8Confident85 Ų8546.6 Ų46.640%0.39727%0.27SS..Hα-helixtrans-62.7-41.3171.7-167.8-169.615200111.4E1281 A1282 I1283 T1288 W1289 K1324 L1327E1281-E1285 WeakPolarHBondContact O-CB 3.37Å; E1281-E1285 PolarHBondContact O-N 3.25Å; A1282-E1285 WeakPolarHBondContact O-CB 3.2Å; A1282-E1285 PolarHBondContact O-N 3.17Å; I1283-E1285 VanDerWaalsContact C-N 3.31Å; I1283-E1285 PolarHBondContact O-N 3.09Å; E1285-T1288 VanDerWaalsContact CA-OG1 3.3Å; E1285-T1288 WeakPolarHBondContact CA-OG1 3.45Å; E1285-T1288 PolarHBondContact O-N 3.08Å; E1285-T1288 PolarHBondContact O-OG1 3.25Å; E1285-W1289 VanDerWaalsContact O-CB 3.25Å; E1285-W1289 WeakPolarHBondContact O-CB 3.31Å; E1285-W1289 PolarHBondContact O-N 3.18Å; E1285-K1324 IonicContact OE1-NZ 3.03Å; E1285-K1324 PolarHBondContact OE1-NZ 3.28Å; E1285-L1327 WeakPolarHBondContact OE2-CD2 3.42Å
1286L88.2Confident85.1Confident0 Ų048.6 Ų48.60%028%0.276CS..Hα-helixtrans-65.3-44.2175.1-68.6170.1000112.2A1282 I1283 A1284 T1288 W1289 A1290 K1324 L1328 W1347 L1351A1282-L1286 VanDerWaalsContact O-CG 3.29Å; A1282-L1286 WeakPolarHBondContact O-CG 3.35Å; A1282-L1286 PolarHBondContact O-N 3.12Å; A1282-L1286 VanDerWaalsContact O-N 3.11Å; I1283-L1286 WeakPolarHBondContact O-CB 3.4Å; I1283-L1286 PolarHBondContact O-N 3.24Å; I1283-L1286 VanDerWaalsContact O-N 3.14Å; A1284-L1286 VanDerWaalsContact C-N 3.33Å; L1286-T1288 VanDerWaalsContact C-N 3.29Å; L1286-T1288 PolarHBondContact O-N 3.17Å; L1286-W1289 PolarHBondContact O-N 3.24Å; L1286-A1290 VanDerWaalsContact O-CB 3.27Å; L1286-A1290 WeakPolarHBondContact O-CB 3.24Å; L1286-A1290 PolarHBondContact O-N 3.11Å; L1286-K1324 HydrophobicContact CD2-CB 3.67Å; L1286-K1324 HydrophobicContact CD2-CD 4.15Å; L1286-K1324 HydrophobicContact CD2-CG 3.87Å; L1286-L1328 HydrophobicContact CD1-CD1 4.03Å; L1286-L1328 HydrophobicContact CD1-CD2 3.57Å; L1286-L1328 HydrophobicContact CD1-CG 3.84Å; L1286-W1347 HydrophobicContact CB-CD2 3.96Å; L1286-W1347 HydrophobicContact CB-CE3 4.35Å; L1286-W1347 HydrophobicContact CB-CG 4.32Å; L1286-W1347 HydrophobicContact CB-CZ2 4.38Å; L1286-W1347 HydrophobicContact CD1-CB 3.99Å; L1286-W1347 HydrophobicContact CD1-CD2 4.27Å; L1286-W1347 HydrophobicContact CD1-CG 3.86Å; L1286-L1351 HydrophobicContact CD2-CD1 4.17Å
1287D88.1Confident85.1Confident75 Ų7549.3 Ų49.340%0.40128%0.28SS..Hα-helixtrans-60.1-41.3176.4-70.8-27000110.7I1283 A1284 A1291 W1347I1283-D1287 PolarHBondContact O-N 3.21Å; A1284-D1287 PolarHBondContact O-N 3.06Å; D1287-A1291 PolarHBondContact O-N 3.24Å; D1287-W1347 WeakPolarHBondContact OD1-CZ2 3.39Å; D1287-W1347 PolarHBondContact OD1-NE1 3.15Å; D1287-W1347 VanDerWaalsContact OD1-NE1 3.15Å
1288T88.8Confident84.8Confident85.6 Ų85.652.2 Ų52.253%0.52529%0.294SS..Hα-helixtrans-70.9-43.5177.9-16.20000112.3A1284 E1285 L1286 A1290 A1291 T1292A1284-T1288 WeakPolarHBondContact O-CB 3.34Å; A1284-T1288 VanDerWaalsContact O-CG2 3.32Å; A1284-T1288 WeakPolarHBondContact O-CG2 3.37Å; A1284-T1288 PolarHBondContact O-N 3.26Å; A1284-T1288 PolarHBondContact O-OG1 3.08Å; E1285-T1288 VanDerWaalsContact CA-OG1 3.3Å; E1285-T1288 WeakPolarHBondContact CA-OG1 3.45Å; E1285-T1288 PolarHBondContact O-N 3.08Å; E1285-T1288 PolarHBondContact O-OG1 3.25Å; L1286-T1288 VanDerWaalsContact C-N 3.29Å; L1286-T1288 PolarHBondContact O-N 3.17Å; T1288-A1290 VanDerWaalsContact C-N 3.33Å; T1288-A1290 PolarHBondContact O-N 3.24Å; T1288-A1291 WeakPolarHBondContact O-CB 3.43Å; T1288-A1291 PolarHBondContact O-N 3.01Å; T1288-T1292 WeakPolarHBondContact O-CG2 3.3Å; T1288-T1292 PolarHBondContact O-N 2.93Å; T1288-T1292 PolarHBondContact O-OG1 3.17Å; T1288-T1292 VanDerWaalsContact O-OG1 3.08Å
1289W91Very high84.1Confident18.6 Ų18.654.7 Ų54.77%0.0730%0.302CS..Hα-helixtrans-60.4-43.5175.7170.979.6000111.5E1285 L1286 A1291 T1292 C1293 Q1320 V1321 K1324 L1351 L1354 M1408E1285-W1289 VanDerWaalsContact O-CB 3.25Å; E1285-W1289 WeakPolarHBondContact O-CB 3.31Å; E1285-W1289 PolarHBondContact O-N 3.18Å; L1286-W1289 PolarHBondContact O-N 3.24Å; W1289-A1291 VanDerWaalsContact C-N 3.25Å; W1289-A1291 PolarHBondContact O-N 3.05Å; W1289-T1292 PolarHBondContact O-N 3.11Å; W1289-T1292 VanDerWaalsContact O-N 3.11Å; W1289-T1292 PolarHBondContact O-OG1 3.08Å; W1289-C1293 HydrophobicContact CD2-CB 4.38Å; W1289-C1293 HydrophobicContact CG-CB 4.42Å; W1289-C1293 HydrophobicContact CZ2-CB 4.26Å; W1289-C1293 VanDerWaalsContact O-CB 3.28Å; W1289-C1293 WeakPolarHBondContact O-CB 3.31Å; W1289-C1293 PolarHBondContact O-N 3.16Å; W1289-Q1320 HydrophobicContact CZ2-CB 4.49Å; W1289-Q1320 VanDerWaalsContact NE1-OE1 3.14Å; W1289-V1321 HydrophobicContact CH2-CG2 3.82Å; W1289-V1321 HydrophobicContact CZ2-CG2 3.81Å; W1289-K1324 HydrophobicContact CD2-CG 4.04Å; W1289-K1324 HydrophobicContact CE3-CG 4.33Å; W1289-K1324 HydrophobicContact CG-CG 4.28Å; W1289-L1351 HydrophobicContact CE3-CD2 4.46Å; W1289-L1351 HydrophobicContact CH2-CD2 3.82Å; W1289-L1351 HydrophobicContact CZ3-CD2 3.59Å; W1289-L1351 VanDerWaalsContact CZ3-CD2 3.49Å; W1289-L1354 HydrophobicContact CH2-CD2 3.83Å; W1289-L1354 HydrophobicContact CZ3-CD2 4.37Å; W1289-M1408 HydrophobicContact CZ3-SD 4.42Å
1290A86Confident83Confident14.4 Ų14.457.4 Ų57.412%0.11932%0.32CS..Hα-helixtrans-62.7-30.9178.100000113.5L1286 T1288 W1347 M1408L1286-A1290 VanDerWaalsContact O-CB 3.27Å; L1286-A1290 WeakPolarHBondContact O-CB 3.24Å; L1286-A1290 PolarHBondContact O-N 3.11Å; T1288-A1290 VanDerWaalsContact C-N 3.33Å; T1288-A1290 PolarHBondContact O-N 3.24Å; A1290-W1347 HydrophobicContact CB-CH2 3.33Å; A1290-W1347 HydrophobicContact CB-CZ2 4.21Å; A1290-W1347 HydrophobicContact CB-CZ3 4.01Å; A1290-M1408 HydrophobicContact CB-CG 3.81Å; A1290-M1408 HydrophobicContact CB-SD 4.38Å
1291A85.1Confident81.5Confident63 Ų6359.3 Ų59.352%0.52135%0.347SS..Hα-helixtrans-77.7-26.217600000113.3D1287 T1288 W1289D1287-A1291 PolarHBondContact O-N 3.24Å; T1288-A1291 WeakPolarHBondContact O-CB 3.43Å; T1288-A1291 PolarHBondContact O-N 3.01Å; W1289-A1291 VanDerWaalsContact C-N 3.25Å; W1289-A1291 PolarHBondContact O-N 3.05Å
1292T86.5Confident79.8Confident96.6 Ų96.658.5 Ų58.559%0.59335%0.347SS*.Hα-helixtrans-109-27.5-168.453.10000114.7T1288 W1289 T1294T1288-T1292 WeakPolarHBondContact O-CG2 3.3Å; T1288-T1292 PolarHBondContact O-N 2.93Å; T1288-T1292 PolarHBondContact O-OG1 3.17Å; T1288-T1292 VanDerWaalsContact O-OG1 3.08Å; W1289-T1292 PolarHBondContact O-N 3.11Å; W1289-T1292 VanDerWaalsContact O-N 3.11Å; W1289-T1292 PolarHBondContact O-OG1 3.08Å; T1292-T1294 PolarHBondContact O-N 3.2Å
1293C87.1Confident78.1Confident10 Ų1068 Ų687%0.06839%0.387CS..  trans-71.7121.2-175.4-169.30000111.6W1289 Q1320 R1406 V1407W1289-C1293 HydrophobicContact CD2-CB 4.38Å; W1289-C1293 HydrophobicContact CG-CB 4.42Å; W1289-C1293 HydrophobicContact CZ2-CB 4.26Å; W1289-C1293 VanDerWaalsContact O-CB 3.28Å; W1289-C1293 WeakPolarHBondContact O-CB 3.31Å; W1289-C1293 PolarHBondContact O-N 3.16Å; C1293-Q1320 PolarHBondContact SG-OE1 3.1Å; C1293-R1406 WeakPolarHBondContact O-CA 3.3Å; C1293-V1407 HydrophobicContact CB-CG2 4.33Å; C1293-V1407 PolarHBondContact O-N 2.94Å
1294T87.9Confident76.3Confident71.6 Ų71.676.7 Ų76.744%0.43942%0.424SS..BIsolated β-bridgetrans-126.9149.2-17855.90000112.6T1292 S1405 R1406T1292-T1294 PolarHBondContact O-N 3.2Å; T1294-S1405 CarbonylContact C-O 3.49Å; T1294-S1405 WeakPolarHBondContact CA-O 3.29Å; T1294-S1405 WeakPolarHBondContact CB-O 3.34Å; T1294-S1405 WeakPolarHBondContact CB-OG 3.36Å; T1294-S1405 WeakPolarHBondContact CG2-OG 3.21Å; T1294-R1406 HydrophobicContact CG2-CG 4.18Å
1295F86.2Confident74.4Confident7.2 Ų7.281.1 Ų81.13%0.03244%0.436CS..  trans-72.6142.1170-71.6-67000111.4L1297 I1311 W1314 V1317 I1358 L1401 S1405 V1407 L1410F1295-L1297 PolarHBondContact O-N 2.93Å; F1295-I1311 HydrophobicContact CB-CD1 4.25Å; F1295-I1311 HydrophobicContact CB-CG1 4.28Å; F1295-I1311 HydrophobicContact CB-CG2 4.38Å; F1295-I1311 HydrophobicContact CD1-CD1 4.23Å; F1295-I1311 HydrophobicContact CD1-CG1 4.46Å; F1295-I1311 HydrophobicContact CD1-CG2 3.81Å; F1295-I1311 HydrophobicContact CD2-CD1 4.31Å; F1295-I1311 HydrophobicContact CE1-CD1 4.4Å; F1295-I1311 HydrophobicContact CG-CD1 4.2Å; F1295-I1311 HydrophobicContact CG-CG1 4.38Å; F1295-I1311 HydrophobicContact CG-CG2 4.36Å; F1295-W1314 HydrophobicContact CE1-CE3 4.38Å; F1295-W1314 HydrophobicContact CE1-CZ3 4.19Å; F1295-V1317 HydrophobicContact CD1-CG2 4.1Å; F1295-V1317 HydrophobicContact CE1-CB 4.38Å; F1295-V1317 HydrophobicContact CE1-CG1 3.96Å; F1295-V1317 HydrophobicContact CE1-CG2 4.23Å; F1295-V1317 HydrophobicContact CZ-CG1 4.48Å; F1295-I1358 HydrophobicContact CZ-CD1 4.39Å; F1295-I1358 HydrophobicContact CZ-CG1 4.13Å; F1295-L1401 HydrophobicContact CD2-CD2 4.23Å; F1295-L1401 HydrophobicContact CE2-CD2 4.28Å; F1295-S1405 PolarHBondContact N-O 3.05Å; F1295-V1407 HydrophobicContact CD1-CG2 4.35Å; F1295-V1407 HydrophobicContact CD2-CG2 4.07Å; F1295-V1407 HydrophobicContact CE1-CG2 4.18Å; F1295-V1407 HydrophobicContact CE2-CB 4.13Å; F1295-V1407 HydrophobicContact CE2-CG1 4.19Å; F1295-V1407 HydrophobicContact CE2-CG2 3.91Å; F1295-V1407 HydrophobicContact CG-CG2 4.29Å; F1295-V1407 HydrophobicContact CZ-CB 4.27Å; F1295-V1407 HydrophobicContact CZ-CG1 3.91Å; F1295-V1407 HydrophobicContact CZ-CG2 3.94Å; F1295-L1410 HydrophobicContact CE2-CD1 3.57Å; F1295-L1410 HydrophobicContact CE2-CG 3.97Å; F1295-L1410 HydrophobicContact CZ-CD1 3.46Å; F1295-L1410 VanDerWaalsContact CZ-CD1 3.46Å; F1295-L1410 HydrophobicContact CZ-CG 4.36Å
1296Q83.4Confident72.8Confident94.2 Ų94.285.7 Ų85.744%0.4446%0.458SS..EExtended strand (participates in β ladder)trans-88111.5170.9-65.3-179.92.600109.6I1311 T1312 N1313Q1296-I1311 WeakPolarHBondContact O-CA 3.37Å; Q1296-T1312 PolarHBondContact O-N 3Å; Q1296-T1312 VanDerWaalsContact O-N 3.16Å; Q1296-T1312 PolarHBondContact O-OG1 3.13Å; Q1296-N1313 PolarHBondContact OE1-ND2 3.13Å
1297L79.8Confident71.3Confident36 Ų3688.2 Ų88.219%0.18847%0.473CS..EExtended strand (participates in β ladder)trans-102.9123.1-178-64.2169.4000110.7F1295 L1299 I1311 M1398 L1401 E1402F1295-L1297 PolarHBondContact O-N 2.93Å; L1297-L1299 PolarHBondContact O-N 2.69Å; L1297-I1311 HydrophobicContact CD2-CB 4.39Å; L1297-I1311 HydrophobicContact CD2-CD1 4.45Å; L1297-I1311 HydrophobicContact CD2-CG1 3.42Å; L1297-I1311 VanDerWaalsContact CD2-CG1 3.45Å; L1297-M1398 HydrophobicContact CD2-CE 4.15Å; L1297-L1401 WeakPolarHBondContact CD1-O 3.43Å; L1297-E1402 HydrophobicContact CD1-CB 4.3Å; L1297-E1402 HydrophobicContact CD1-CG 4.29Å
1298N73.8Confident70.1Confident96.8 Ų96.885.4 Ų85.452%0.51846%0.459SS..EExtended strand (participates in β ladder)trans-89.3109169.8-81.9-5.2000109.7P1300 G1309 V1310 T1312N1298-P1300 WeakPolarHBondContact O-CD 3.38Å; N1298-G1309 VanDerWaalsContact O-CA 3.28Å; N1298-G1309 WeakPolarHBondContact O-CA 3.39Å; N1298-V1310 PolarHBondContact N-O 3.33Å; N1298-V1310 PolarHBondContact O-N 3.07Å; N1298-T1312 HydrophobicContact CB-CG2 4.12Å; N1298-T1312 VanDerWaalsContact ND2-CG2 3.27Å; N1298-T1312 WeakPolarHBondContact ND2-CG2 3.43Å; N1298-T1312 PolarHBondContact ND2-OG1 2.95Å; N1298-T1312 PolarHBondContact OD1-OG1 3.48Å
1299L65.2Low69Low112.6 Ų112.681.3 Ų81.359%0.5943%0.434SS*.  trans-83.8121.9175.5-69.9155.2000109.7L1297 S1301 E1402L1297-L1299 PolarHBondContact O-N 2.69Å; L1299-S1301 PolarHBondContact O-N 2.74Å; L1299-E1402 HydrophobicContact CD2-CG 4.29Å; L1299-E1402 VanDerWaalsContact CD2-OE1 3.26Å; L1299-E1402 WeakPolarHBondContact CD2-OE1 3.34Å
1300P56.9Low68.4Low60 Ų6082.3 Ų82.339%0.3944%0.442SS..  trans-64.8137.917720.3000111.4N1298 D1302 T1307N1298-P1300 WeakPolarHBondContact O-CD 3.38Å; P1300-D1302 PolarHBondContact O-N 3.32Å; P1300-D1302 VanDerWaalsContact O-N 3.11Å; P1300-T1307 WeakPolarHBondContact CB-OG1 3.36Å; P1300-T1307 WeakPolarHBondContact CG-O 3.32Å; P1300-T1307 VanDerWaalsContact CG-OG1 3.29Å; P1300-T1307 WeakPolarHBondContact CG-OG1 3.35Å
1301S49.8Very low68.2Low130 Ų13081.7 Ų81.791%0.90944%0.437SS*.SBendtrans-65.7-17-177.4-75.10000114.4L1299 K1303L1299-S1301 PolarHBondContact O-N 2.74Å; S1301-K1303 PolarHBondContact O-N 3.15Å
1302D48.2Very low67.9Low110.8 Ų110.880.5 Ų80.559%0.59342%0.423SS*.  trans-102.195.6-168.4-132.1-14.1000111.9P1300 K1304 H1305P1300-D1302 PolarHBondContact O-N 3.32Å; P1300-D1302 VanDerWaalsContact O-N 3.11Å; D1302-K1304 PolarHBondContact O-N 3.16Å; D1302-H1305 PolarHBondContact O-N 3.25Å
1303K47Very low67.6Low208 Ų20880.4 Ų80.490%0.90442%0.419SS*.THydrogen-bonded Turntrans-61-5.9-179-68.9-174.4177.2-178.20115S1301S1301-K1303 PolarHBondContact O-N 3.15Å
1304K46.9Very low67.6Low186.4 Ų186.480.5 Ų80.581%0.8142%0.418SS*.THydrogen-bonded Turntrans-78.8-27.3-177.9-76.3-174.9177.6177.70113.6D1302D1302-K1304 PolarHBondContact O-N 3.16Å
1305H48.5Very low67.4Low142 Ų14282.4 Ų82.466%0.65743%0.425SS*.SBendtrans-108.3121170.8-71.6-66.5000107.6D1302 T1307D1302-H1305 PolarHBondContact O-N 3.25Å; H1305-T1307 HydrophobicContact CB-CG2 4.31Å; H1305-T1307 PolarHBondContact O-N 3.27Å; H1305-T1307 PolarHBondContact O-OG1 3.28Å; H1305-T1307 VanDerWaalsContact O-OG1 3.05Å
1306Q53.4Low67.4Low181.6 Ų181.685.9 Ų85.985%0.84944%0.444SS*.  trans-66.962.5173.1-70.6177.8-4.900109.9P1308 R1395Q1306-P1308 WeakPolarHBondContact O-CD 3.18Å; Q1306-R1395 PolarHBondContact O-NH1 3Å
1307T57.6Low67.6Low52.6 Ų52.681.7 Ų81.732%0.32343%0.425SS..PPolyproline II helixtrans-84.4117.817437.40000107.2P1300 H1305P1300-T1307 WeakPolarHBondContact CB-OG1 3.36Å; P1300-T1307 WeakPolarHBondContact CG-O 3.32Å; P1300-T1307 VanDerWaalsContact CG-OG1 3.29Å; P1300-T1307 WeakPolarHBondContact CG-OG1 3.35Å; H1305-T1307 HydrophobicContact CB-CG2 4.31Å; H1305-T1307 PolarHBondContact O-N 3.27Å; H1305-T1307 PolarHBondContact O-OG1 3.28Å; H1305-T1307 VanDerWaalsContact O-OG1 3.05Å
1308P62.1Low68Low14.4 Ų14.480.9 Ų80.99%0.09442%0.421CS..PPolyproline II helixtrans-62.2152.6177.728-35.6000110.2Q1306 V1310 W1368 F1394 R1395 M1398Q1306-P1308 WeakPolarHBondContact O-CD 3.18Å; P1308-V1310 PolarHBondContact O-N 2.96Å; P1308-V1310 VanDerWaalsContact O-N 3.14Å; P1308-W1368 HydrophobicContact CG-CH2 4.13Å; P1308-F1394 HydrophobicContact CG-CE1 4.49Å; P1308-R1395 VanDerWaalsContact CD-NH1 3.34Å; P1308-R1395 HydrophobicContact CG-CG 4.14Å; P1308-M1398 HydrophobicContact CB-CB 3.73Å; P1308-M1398 HydrophobicContact CB-CG 4.36Å; P1308-M1398 HydrophobicContact CG-CB 4.22Å; P1308-M1398 HydrophobicContact CG-CG 4.46Å
1309G67.2Low68.7Low0.6 Ų0.680.8 Ų80.81%0.00642%0.42CS..PPolyproline II helixtrans-56.1127.2172.200000110.7N1298 M1398 E1402N1298-G1309 VanDerWaalsContact O-CA 3.28Å; N1298-G1309 WeakPolarHBondContact O-CA 3.39Å; G1309-M1398 WeakPolarHBondContact O-CE 3.34Å; G1309-E1402 PolarHBondContact N-OE1 2.9Å
1310V77.1Confident69.9Low40.2 Ų40.278.2 Ų78.224%0.24441%0.405CS..EExtended strand (participates in β ladder)trans-93.1134.6-176.7179.60000109.1N1298 P1308 T1312 Q1365 V1369N1298-V1310 PolarHBondContact N-O 3.33Å; N1298-V1310 PolarHBondContact O-N 3.07Å; P1308-V1310 PolarHBondContact O-N 2.96Å; P1308-V1310 VanDerWaalsContact O-N 3.14Å; V1310-T1312 PolarHBondContact O-N 3.25Å; V1310-Q1365 VanDerWaalsContact CG1-CD 3.44Å; V1310-Q1365 HydrophobicContact CG1-CG 4.15Å; V1310-Q1365 VanDerWaalsContact CG1-NE2 3.28Å; V1310-V1369 HydrophobicContact CG1-CG2 4.42Å
1311I83Confident71.5Confident1.8 Ų1.875.4 Ų75.41%0.00939%0.387CS..EExtended strand (participates in β ladder)trans-72.7129.4178-63.4159.6000109.3F1295 Q1296 L1297 W1314 L1361 Q1365 M1398 L1401F1295-I1311 HydrophobicContact CB-CD1 4.25Å; F1295-I1311 HydrophobicContact CB-CG1 4.28Å; F1295-I1311 HydrophobicContact CB-CG2 4.38Å; F1295-I1311 HydrophobicContact CD1-CD1 4.23Å; F1295-I1311 HydrophobicContact CD1-CG1 4.46Å; F1295-I1311 HydrophobicContact CD1-CG2 3.81Å; F1295-I1311 HydrophobicContact CD2-CD1 4.31Å; F1295-I1311 HydrophobicContact CE1-CD1 4.4Å; F1295-I1311 HydrophobicContact CG-CD1 4.2Å; F1295-I1311 HydrophobicContact CG-CG1 4.38Å; F1295-I1311 HydrophobicContact CG-CG2 4.36Å; Q1296-I1311 WeakPolarHBondContact O-CA 3.37Å; L1297-I1311 HydrophobicContact CD2-CB 4.39Å; L1297-I1311 HydrophobicContact CD2-CD1 4.45Å; L1297-I1311 HydrophobicContact CD2-CG1 3.42Å; L1297-I1311 VanDerWaalsContact CD2-CG1 3.45Å; I1311-W1314 HydrophobicContact CB-CD2 4.45Å; I1311-W1314 HydrophobicContact CB-CH2 4.04Å; I1311-W1314 HydrophobicContact CB-CZ2 3.49Å; I1311-W1314 VanDerWaalsContact CB-CZ2 3.47Å; I1311-W1314 HydrophobicContact CD1-CH2 3.44Å; I1311-W1314 VanDerWaalsContact CD1-CH2 3.45Å; I1311-W1314 HydrophobicContact CD1-CZ2 3.74Å; I1311-W1314 HydrophobicContact CD1-CZ3 4.26Å; I1311-W1314 HydrophobicContact CG1-CH2 4.34Å; I1311-W1314 HydrophobicContact CG1-CZ2 4.2Å; I1311-W1314 HydrophobicContact CG2-CD2 3.91Å; I1311-W1314 HydrophobicContact CG2-CE3 4.27Å; I1311-W1314 HydrophobicContact CG2-CG 4.29Å; I1311-W1314 HydrophobicContact CG2-CH2 4.02Å; I1311-W1314 HydrophobicContact CG2-CZ2 3.67Å; I1311-W1314 HydrophobicContact CG2-CZ3 4.32Å; I1311-W1314 PolarHBondContact O-NE1 2.92Å; I1311-W1314 VanDerWaalsContact O-NE1 3.14Å; I1311-L1361 HydrophobicContact CD1-CD2 3.89Å; I1311-Q1365 VanDerWaalsContact N-OE1 3.13Å; I1311-Q1365 PolarHBondContact O-NE2 3.21Å; I1311-M1398 HydrophobicContact CD1-CE 3.91Å; I1311-M1398 HydrophobicContact CD1-SD 4.24Å; I1311-M1398 HydrophobicContact CG1-CE 3.78Å; I1311-L1401 HydrophobicContact CD1-CD1 3.97Å
1312T78.9Confident73.4Confident37 Ų3772.8 Ų72.823%0.22736%0.36CS..EExtended strand (participates in β ladder)trans-115.7160.1175.754.90000112.1Q1296 N1298 V1310 W1314 T2060Q1296-T1312 PolarHBondContact O-N 3Å; Q1296-T1312 VanDerWaalsContact O-N 3.16Å; Q1296-T1312 PolarHBondContact O-OG1 3.13Å; N1298-T1312 HydrophobicContact CB-CG2 4.12Å; N1298-T1312 VanDerWaalsContact ND2-CG2 3.27Å; N1298-T1312 WeakPolarHBondContact ND2-CG2 3.43Å; N1298-T1312 PolarHBondContact ND2-OG1 2.95Å; N1298-T1312 PolarHBondContact OD1-OG1 3.48Å; V1310-T1312 PolarHBondContact O-N 3.25Å; T1312-W1314 PolarHBondContact O-N 3.2Å; T1312-T2060 HydrophobicContact CG2-CG2 3.99Å
1313N80.4Confident75.4Confident93.8 Ų93.872.6 Ų72.650%0.50236%0.359SS..  trans63.445.4177.4-68-22.2000114.7Q1296 N1315 D1316Q1296-N1313 PolarHBondContact OE1-ND2 3.13Å; N1313-N1315 VanDerWaalsContact C-N 3.3Å; N1313-N1315 PolarHBondContact O-N 3.21Å; N1313-N1315 VanDerWaalsContact O-N 3.09Å; N1313-D1316 PolarHBondContact O-N 3.05Å; N1313-D1316 VanDerWaalsContact O-N 3.13Å
1314W85.5Confident77.4Confident13.6 Ų13.664.4 Ų64.45%0.05232%0.323CS..Hα-helixtrans-51-36.7175.9-67.795000114.3F1295 I1311 T1312 D1316 V1317 L1318 I1358 L1361 H1362 Q1365F1295-W1314 HydrophobicContact CE1-CE3 4.38Å; F1295-W1314 HydrophobicContact CE1-CZ3 4.19Å; I1311-W1314 HydrophobicContact CB-CD2 4.45Å; I1311-W1314 HydrophobicContact CB-CH2 4.04Å; I1311-W1314 HydrophobicContact CB-CZ2 3.49Å; I1311-W1314 VanDerWaalsContact CB-CZ2 3.47Å; I1311-W1314 HydrophobicContact CD1-CH2 3.44Å; I1311-W1314 VanDerWaalsContact CD1-CH2 3.45Å; I1311-W1314 HydrophobicContact CD1-CZ2 3.74Å; I1311-W1314 HydrophobicContact CD1-CZ3 4.26Å; I1311-W1314 HydrophobicContact CG1-CH2 4.34Å; I1311-W1314 HydrophobicContact CG1-CZ2 4.2Å; I1311-W1314 HydrophobicContact CG2-CD2 3.91Å; I1311-W1314 HydrophobicContact CG2-CE3 4.27Å; I1311-W1314 HydrophobicContact CG2-CG 4.29Å; I1311-W1314 HydrophobicContact CG2-CH2 4.02Å; I1311-W1314 HydrophobicContact CG2-CZ2 3.67Å; I1311-W1314 HydrophobicContact CG2-CZ3 4.32Å; I1311-W1314 PolarHBondContact O-NE1 2.92Å; I1311-W1314 VanDerWaalsContact O-NE1 3.14Å; T1312-W1314 PolarHBondContact O-N 3.2Å; W1314-D1316 VanDerWaalsContact C-N 3.32Å; W1314-D1316 PolarHBondContact O-N 3.09Å; W1314-V1317 PolarHBondContact O-N 2.9Å; W1314-L1318 HydrophobicContact CB-CD1 4.46Å; W1314-L1318 WeakPolarHBondContact O-CB 3.34Å; W1314-L1318 WeakPolarHBondContact O-CG 3.38Å; W1314-L1318 PolarHBondContact O-N 3.08Å; W1314-I1358 HydrophobicContact CE3-CG2 3.81Å; W1314-I1358 HydrophobicContact CZ3-CG2 3.89Å; W1314-I1358 WeakPolarHBondContact CZ3-O 3.28Å; W1314-L1361 HydrophobicContact CH2-CB 4.14Å; W1314-L1361 HydrophobicContact CH2-CD2 3.83Å; W1314-L1361 HydrophobicContact CH2-CG 3.71Å; W1314-L1361 HydrophobicContact CZ3-CB 4.44Å; W1314-L1361 HydrophobicContact CZ3-CD2 4.36Å; W1314-L1361 HydrophobicContact CZ3-CG 4.45Å; W1314-H1362 AromaticContact CD1-CD2 3.42Å; W1314-H1362 VanDerWaalsContact CD1-CD2 3.42Å; W1314-H1362 AromaticContact CD1-NE2 3.76Å; W1314-H1362 HydrophobicContact CD2-CB 3.82Å; W1314-H1362 AromaticContact CD2-CD2 3.7Å; W1314-H1362 AromaticContact CD2-CG 3.88Å; W1314-H1362 AromaticContact CE2-CD2 3.7Å; W1314-H1362 HydrophobicContact CE3-CB 3.77Å; W1314-H1362 HydrophobicContact CG-CB 4.4Å; W1314-H1362 AromaticContact CG-CD2 3.52Å; W1314-H1362 VanDerWaalsContact CG-CD2 3.41Å; W1314-H1362 AromaticContact CG-CG 3.92Å; W1314-H1362 AromaticContact CG-NE2 3.88Å; W1314-H1362 HydrophobicContact CH2-CB 4.29Å; W1314-H1362 HydrophobicContact CZ2-CB 4.31Å; W1314-H1362 HydrophobicContact CZ3-CB 4.02Å; W1314-H1362 AromaticContact NE1-CD2 3.55Å; W1314-H1362 PolarHBondContact NE1-CD2 3.36Å; W1314-Q1365 HydrophobicContact CZ2-CB 4.36Å; W1314-Q1365 VanDerWaalsContact NE1-NE2 3.1Å
1315N84.6Confident79.4Confident111.8 Ų111.857.3 Ų57.360%0.59829%0.293SS*.Hα-helixtrans-63.7-34.6-176.5-69.2-23.8000112.9N1313 L1318 N1319N1313-N1315 VanDerWaalsContact C-N 3.3Å; N1313-N1315 PolarHBondContact O-N 3.21Å; N1313-N1315 VanDerWaalsContact O-N 3.09Å; N1315-L1318 PolarHBondContact O-N 2.99Å; N1315-N1319 VanDerWaalsContact O-CB 3.27Å; N1315-N1319 WeakPolarHBondContact O-CB 3.41Å; N1315-N1319 PolarHBondContact O-N 3.15Å; N1315-N1319 PolarHBondContact O-ND2 3.14Å; N1315-N1319 PolarHBondContact O-OD1 2.97Å
1316D86.1Confident81.3Confident78.8 Ų78.853.1 Ų53.142%0.42128%0.283SS..Hα-helixtrans-65.4-48.1179.1-161.814.4000110.5N1313 W1314 L1318 N1319 Q1320N1313-D1316 PolarHBondContact O-N 3.05Å; N1313-D1316 VanDerWaalsContact O-N 3.13Å; W1314-D1316 VanDerWaalsContact C-N 3.32Å; W1314-D1316 PolarHBondContact O-N 3.09Å; D1316-L1318 PolarHBondContact O-N 3.12Å; D1316-N1319 PolarHBondContact O-N 3.22Å; D1316-Q1320 WeakPolarHBondContact O-CB 3.41Å; D1316-Q1320 VanDerWaalsContact O-CG 3.29Å; D1316-Q1320 WeakPolarHBondContact O-CG 3.32Å; D1316-Q1320 PolarHBondContact O-N 3.34Å; D1316-Q1320 PolarHBondContact OD1-NE2 2.99Å; D1316-Q1320 PolarHBondContact OD2-NE2 3.23Å
1317V87.7Confident82.9Confident7.8 Ų7.846.6 Ų46.65%0.04725%0.254CS..Hα-helixtrans-64.6-43.6177.2-177.50000111.5F1295 W1314 N1319 Q1320 V1321 I1358 V1407F1295-V1317 HydrophobicContact CD1-CG2 4.1Å; F1295-V1317 HydrophobicContact CE1-CB 4.38Å; F1295-V1317 HydrophobicContact CE1-CG1 3.96Å; F1295-V1317 HydrophobicContact CE1-CG2 4.23Å; F1295-V1317 HydrophobicContact CZ-CG1 4.48Å; W1314-V1317 PolarHBondContact O-N 2.9Å; V1317-N1319 PolarHBondContact O-N 2.65Å; V1317-Q1320 PolarHBondContact O-N 3.08Å; V1317-V1321 VanDerWaalsContact O-CG2 3.3Å; V1317-V1321 WeakPolarHBondContact O-CG2 3.34Å; V1317-V1321 PolarHBondContact O-N 3.26Å; V1317-I1358 HydrophobicContact CG1-CD1 3.95Å; V1317-V1407 HydrophobicContact CG1-CB 4.48Å; V1317-V1407 HydrophobicContact CG1-CG1 3.96Å; V1317-V1407 HydrophobicContact CG1-CG2 3.79Å; V1317-V1407 HydrophobicContact CG2-CG2 4.39Å
1318L87.6Confident84.1Confident19 Ų1944.6 Ų44.610%0.09924%0.241CC..Hα-helixtrans-62.1-43.3177.4-77.6169.1000111.9W1314 N1315 D1316 V1321 H1322 N1355 I1358 Q1359W1314-L1318 HydrophobicContact CB-CD1 4.46Å; W1314-L1318 WeakPolarHBondContact O-CB 3.34Å; W1314-L1318 WeakPolarHBondContact O-CG 3.38Å; W1314-L1318 PolarHBondContact O-N 3.08Å; N1315-L1318 PolarHBondContact O-N 2.99Å; D1316-L1318 PolarHBondContact O-N 3.12Å; L1318-V1321 PolarHBondContact O-N 3.29Å; L1318-H1322 WeakPolarHBondContact O-CB 3.16Å; L1318-H1322 PolarHBondContact O-CD2 3.24Å; L1318-H1322 PolarHBondContact O-N 3.14Å; L1318-N1355 WeakPolarHBondContact CD2-OD1 3.42Å; L1318-I1358 HydrophobicContact CD2-CB 4.27Å; L1318-I1358 HydrophobicContact CD2-CG2 3.61Å; L1318-I1358 HydrophobicContact CG-CG2 3.94Å; L1318-Q1359 HydrophobicContact CD2-CG 3.94Å
1319N89Confident85.1Confident93.2 Ų93.249.6 Ų49.650%0.49826%0.263SS..Hα-helixtrans-63.6-44.5177.1-71.5-16.2000111.3N1315 D1316 V1317 V1321 H1322 D1323N1315-N1319 VanDerWaalsContact O-CB 3.27Å; N1315-N1319 WeakPolarHBondContact O-CB 3.41Å; N1315-N1319 PolarHBondContact O-N 3.15Å; N1315-N1319 PolarHBondContact O-ND2 3.14Å; N1315-N1319 PolarHBondContact O-OD1 2.97Å; D1316-N1319 PolarHBondContact O-N 3.22Å; V1317-N1319 PolarHBondContact O-N 2.65Å; N1319-V1321 VanDerWaalsContact C-N 3.33Å; N1319-V1321 PolarHBondContact O-N 3.18Å; N1319-H1322 PolarHBondContact O-N 3.1Å; N1319-H1322 VanDerWaalsContact O-N 3.16Å; N1319-D1323 WeakPolarHBondContact O-CB 3.25Å; N1319-D1323 VanDerWaalsContact O-CG 3.27Å; N1319-D1323 PolarHBondContact O-N 3.04Å
1320Q89.9Confident85.9Confident59.6 Ų59.653.1 Ų53.128%0.27929%0.288SS..Hα-helixtrans-59.5-43.3175.8-71.4176.833.600112W1289 C1293 D1316 V1317 H1322 D1323 K1324W1289-Q1320 HydrophobicContact CZ2-CB 4.49Å; W1289-Q1320 VanDerWaalsContact NE1-OE1 3.14Å; C1293-Q1320 PolarHBondContact SG-OE1 3.1Å; D1316-Q1320 WeakPolarHBondContact O-CB 3.41Å; D1316-Q1320 VanDerWaalsContact O-CG 3.29Å; D1316-Q1320 WeakPolarHBondContact O-CG 3.32Å; D1316-Q1320 PolarHBondContact O-N 3.34Å; D1316-Q1320 PolarHBondContact OD1-NE2 2.99Å; D1316-Q1320 PolarHBondContact OD2-NE2 3.23Å; V1317-Q1320 PolarHBondContact O-N 3.08Å; Q1320-H1322 VanDerWaalsContact C-N 3.34Å; Q1320-H1322 PolarHBondContact O-N 3.01Å; Q1320-D1323 PolarHBondContact O-N 3.03Å; Q1320-K1324 WeakPolarHBondContact O-CB 3.42Å; Q1320-K1324 VanDerWaalsContact O-CG 3.3Å; Q1320-K1324 WeakPolarHBondContact O-CG 3.25Å; Q1320-K1324 PolarHBondContact O-N 3.33Å
1321V90.3Very high85.9Confident0 Ų052 Ų520%028%0.28CS..Hα-helixtrans-62.1-42.9176172.30000111W1289 V1317 L1318 N1319 K1324 Q1325 L1351 L1354 N1355 I1358W1289-V1321 HydrophobicContact CH2-CG2 3.82Å; W1289-V1321 HydrophobicContact CZ2-CG2 3.81Å; V1317-V1321 VanDerWaalsContact O-CG2 3.3Å; V1317-V1321 WeakPolarHBondContact O-CG2 3.34Å; V1317-V1321 PolarHBondContact O-N 3.26Å; L1318-V1321 PolarHBondContact O-N 3.29Å; N1319-V1321 VanDerWaalsContact C-N 3.33Å; N1319-V1321 PolarHBondContact O-N 3.18Å; V1321-K1324 PolarHBondContact O-N 3.11Å; V1321-Q1325 HydrophobicContact CG1-CG 4.48Å; V1321-Q1325 VanDerWaalsContact O-CG 3.31Å; V1321-Q1325 WeakPolarHBondContact O-CG 3.4Å; V1321-Q1325 PolarHBondContact O-N 3.18Å; V1321-L1351 HydrophobicContact CG1-CD2 4.46Å; V1321-L1354 HydrophobicContact CG2-CD2 4.17Å; V1321-N1355 HydrophobicContact CG1-CB 3.95Å; V1321-I1358 HydrophobicContact CG2-CD1 4.06Å
1322H89.6Confident85.4Confident76.6 Ų76.658.4 Ų58.436%0.35531%0.308SS..Hα-helixtrans-64.7-40.8176.7-75.5-50.6000112.7L1318 N1319 Q1320 K1324 Q1325 A1326L1318-H1322 WeakPolarHBondContact O-CB 3.16Å; L1318-H1322 PolarHBondContact O-CD2 3.24Å; L1318-H1322 PolarHBondContact O-N 3.14Å; N1319-H1322 PolarHBondContact O-N 3.1Å; N1319-H1322 VanDerWaalsContact O-N 3.16Å; Q1320-H1322 VanDerWaalsContact C-N 3.34Å; Q1320-H1322 PolarHBondContact O-N 3.01Å; H1322-K1324 VanDerWaalsContact C-N 3.34Å; H1322-K1324 PolarHBondContact O-N 3.18Å; H1322-Q1325 PolarHBondContact ND1-OE1 3.21Å; H1322-Q1325 WeakPolarHBondContact O-CB 3.43Å; H1322-Q1325 PolarHBondContact O-N 3.02Å; H1322-A1326 WeakPolarHBondContact O-CB 3.4Å; H1322-A1326 PolarHBondContact O-N 3.23Å
1323D90.4Very high84.9Confident106.4 Ų106.465.5 Ų65.557%0.56934%0.336SS*.Hα-helixtrans-63.1-40.8175.7-69.6-18.7000111.3N1319 Q1320 A1326 L1327N1319-D1323 WeakPolarHBondContact O-CB 3.25Å; N1319-D1323 VanDerWaalsContact O-CG 3.27Å; N1319-D1323 PolarHBondContact O-N 3.04Å; Q1320-D1323 PolarHBondContact O-N 3.03Å; D1323-A1326 PolarHBondContact O-N 3.12Å; D1323-L1327 WeakPolarHBondContact O-CB 3.43Å; D1323-L1327 PolarHBondContact O-N 3.14Å
1324K89.8Confident84.2Confident34.6 Ų34.663.4 Ų63.415%0.1533%0.328CS..Hα-helixtrans-69-34.9175.9-65.8-32.2173.1-161.20112.7E1285 L1286 W1289 Q1320 V1321 H1322 L1327 L1328 L1351E1285-K1324 IonicContact OE1-NZ 3.03Å; E1285-K1324 PolarHBondContact OE1-NZ 3.28Å; L1286-K1324 HydrophobicContact CD2-CB 3.67Å; L1286-K1324 HydrophobicContact CD2-CD 4.15Å; L1286-K1324 HydrophobicContact CD2-CG 3.87Å; W1289-K1324 HydrophobicContact CD2-CG 4.04Å; W1289-K1324 HydrophobicContact CE3-CG 4.33Å; W1289-K1324 HydrophobicContact CG-CG 4.28Å; Q1320-K1324 WeakPolarHBondContact O-CB 3.42Å; Q1320-K1324 VanDerWaalsContact O-CG 3.3Å; Q1320-K1324 WeakPolarHBondContact O-CG 3.25Å; Q1320-K1324 PolarHBondContact O-N 3.33Å; V1321-K1324 PolarHBondContact O-N 3.11Å; H1322-K1324 VanDerWaalsContact C-N 3.34Å; H1322-K1324 PolarHBondContact O-N 3.18Å; K1324-L1327 PolarHBondContact O-N 3.02Å; K1324-L1328 WeakPolarHBondContact O-CB 3.49Å; K1324-L1328 PolarHBondContact O-N 3.09Å; K1324-L1328 VanDerWaalsContact O-N 3.09Å; K1324-L1351 HydrophobicContact CB-CD1 3.83Å; K1324-L1351 HydrophobicContact CB-CD2 4.31Å
1325Q89.2Confident83Confident37 Ų3767.4 Ų67.417%0.17336%0.358CS..Hα-helixtrans-63.7-44.9170.8-75176.1-17.100111.1V1321 H1322 L1327 L1328 E1329 L1351V1321-Q1325 HydrophobicContact CG1-CG 4.48Å; V1321-Q1325 VanDerWaalsContact O-CG 3.31Å; V1321-Q1325 WeakPolarHBondContact O-CG 3.4Å; V1321-Q1325 PolarHBondContact O-N 3.18Å; H1322-Q1325 PolarHBondContact ND1-OE1 3.21Å; H1322-Q1325 WeakPolarHBondContact O-CB 3.43Å; H1322-Q1325 PolarHBondContact O-N 3.02Å; Q1325-L1327 VanDerWaalsContact C-N 3.32Å; Q1325-L1327 PolarHBondContact O-N 3.15Å; Q1325-L1328 CarbonylContact O-C 3.41Å; Q1325-L1328 PolarHBondContact O-N 3.18Å; Q1325-E1329 WeakPolarHBondContact O-CB 3.21Å; Q1325-E1329 WeakPolarHBondContact O-CG 3.38Å; Q1325-E1329 PolarHBondContact O-N 3.1Å; Q1325-L1351 HydrophobicContact CG-CB 3.81Å; Q1325-L1351 HydrophobicContact CG-CD1 4.15Å; Q1325-L1351 PolarHBondContact NE2-O 3.14Å; Q1325-L1351 VanDerWaalsContact NE2-O 3.12Å
1326A88Confident81.9Confident54.4 Ų54.463.8 Ų63.845%0.4534%0.339SS..Hα-helixtrans-62.8-38.7177.300000112.1H1322 D1323 L1328 E1329 S1330H1322-A1326 WeakPolarHBondContact O-CB 3.4Å; H1322-A1326 PolarHBondContact O-N 3.23Å; D1323-A1326 PolarHBondContact O-N 3.12Å; A1326-L1328 PolarHBondContact O-N 3.34Å; A1326-E1329 PolarHBondContact O-N 3.07Å; A1326-S1330 WeakPolarHBondContact O-CB 3.42Å; A1326-S1330 PolarHBondContact O-N 3.04Å
1327L86Confident80.7Confident45 Ų4564.5 Ų64.524%0.23634%0.343CS..Hα-helixtrans-57.7-49.1172.8-178.364.8000111.1A1282 E1285 D1323 K1324 Q1325 E1329 S1330 I1331A1282-L1327 HydrophobicContact CB-CD1 4.38Å; A1282-L1327 HydrophobicContact CB-CD2 4.1Å; A1282-L1327 HydrophobicContact CB-CG 4.25Å; E1285-L1327 WeakPolarHBondContact OE2-CD2 3.42Å; D1323-L1327 WeakPolarHBondContact O-CB 3.43Å; D1323-L1327 PolarHBondContact O-N 3.14Å; K1324-L1327 PolarHBondContact O-N 3.02Å; Q1325-L1327 VanDerWaalsContact C-N 3.32Å; Q1325-L1327 PolarHBondContact O-N 3.15Å; L1327-E1329 VanDerWaalsContact C-N 3.34Å; L1327-E1329 PolarHBondContact O-N 3.25Å; L1327-S1330 WeakPolarHBondContact O-CB 3.48Å; L1327-S1330 PolarHBondContact O-N 3.38Å; L1327-S1330 PolarHBondContact O-OG 3.1Å; L1327-I1331 HydrophobicContact CG-CD1 4.36Å; L1327-I1331 WeakPolarHBondContact O-CD1 3.45Å; L1327-I1331 WeakPolarHBondContact O-CG1 3.39Å; L1327-I1331 PolarHBondContact O-N 3.01Å; L1327-I1331 VanDerWaalsContact O-N 3.08Å
1328L84.4Confident79.7Confident10.4 Ų10.471.1 Ų71.15%0.05438%0.378CS..Hα-helixtrans-65.2-36.4177.2-88.8162000113.3L1286 K1324 Q1325 A1326 S1330 I1331 K1332 R1344 W1347 Q1348 L1351L1286-L1328 HydrophobicContact CD1-CD1 4.03Å; L1286-L1328 HydrophobicContact CD1-CD2 3.57Å; L1286-L1328 HydrophobicContact CD1-CG 3.84Å; K1324-L1328 WeakPolarHBondContact O-CB 3.49Å; K1324-L1328 PolarHBondContact O-N 3.09Å; K1324-L1328 VanDerWaalsContact O-N 3.09Å; Q1325-L1328 CarbonylContact O-C 3.41Å; Q1325-L1328 PolarHBondContact O-N 3.18Å; A1326-L1328 PolarHBondContact O-N 3.34Å; L1328-S1330 VanDerWaalsContact C-N 3.31Å; L1328-S1330 PolarHBondContact O-N 2.8Å; L1328-I1331 HydrophobicContact CD2-CD1 4.45Å; L1328-I1331 PolarHBondContact O-N 3.24Å; L1328-K1332 PolarHBondContact O-N 3.32Å; L1328-K1332 VanDerWaalsContact O-N 3.13Å; L1328-R1344 HydrophobicContact CD1-CG 3.76Å; L1328-R1344 HydrophobicContact CD2-CG 4.27Å; L1328-R1344 HydrophobicContact CG-CG 4.16Å; L1328-R1344 PolarHBondContact O-NH2 3.04Å; L1328-W1347 HydrophobicContact CD1-CB 3.87Å; L1328-W1347 HydrophobicContact CD2-CB 4.35Å; L1328-Q1348 HydrophobicContact CD1-CB 4.32Å; L1328-Q1348 VanDerWaalsContact CD2-CA 3.42Å; L1328-Q1348 HydrophobicContact CD2-CB 3.58Å; L1328-Q1348 HydrophobicContact CD2-CG 4.22Å; L1328-Q1348 VanDerWaalsContact CD2-N 3.31Å; L1328-L1351 HydrophobicContact CD1-CD1 3.71Å; L1328-L1351 HydrophobicContact CD2-CD1 4.34Å
1329E83.3Confident78.7Confident120.6 Ų120.672.9 Ų72.956%0.56439%0.389SS*.Hα-helixtrans-67.2-35.9175.2-76.1-168.3169.900112.6Q1325 A1326 L1327 I1331 K1332 K1333Q1325-E1329 WeakPolarHBondContact O-CB 3.21Å; Q1325-E1329 WeakPolarHBondContact O-CG 3.38Å; Q1325-E1329 PolarHBondContact O-N 3.1Å; A1326-E1329 PolarHBondContact O-N 3.07Å; L1327-E1329 VanDerWaalsContact C-N 3.34Å; L1327-E1329 PolarHBondContact O-N 3.25Å; E1329-I1331 VanDerWaalsContact C-N 3.32Å; E1329-I1331 PolarHBondContact O-N 3.16Å; E1329-K1332 WeakPolarHBondContact O-CB 3.28Å; E1329-K1332 WeakPolarHBondContact O-CD 3.24Å; E1329-K1332 VanDerWaalsContact O-CG 3.27Å; E1329-K1332 WeakPolarHBondContact O-CG 2.97Å; E1329-K1332 PolarHBondContact O-N 3.17Å; E1329-K1333 PolarHBondContact O-N 3.39Å
1330S82.3Confident77.7Confident73.4 Ų73.470.7 Ų70.751%0.51338%0.376SS..Hα-helixtrans-62.9-38174.880.40000111.5A1326 L1327 L1328 K1332 K1333A1326-S1330 WeakPolarHBondContact O-CB 3.42Å; A1326-S1330 PolarHBondContact O-N 3.04Å; L1327-S1330 WeakPolarHBondContact O-CB 3.48Å; L1327-S1330 PolarHBondContact O-N 3.38Å; L1327-S1330 PolarHBondContact O-OG 3.1Å; L1328-S1330 VanDerWaalsContact C-N 3.31Å; L1328-S1330 PolarHBondContact O-N 2.8Å; S1330-K1332 VanDerWaalsContact C-N 3.35Å; S1330-K1332 PolarHBondContact O-N 3.21Å; S1330-K1333 PolarHBondContact O-N 3.22Å
1331I78.4Confident77Confident17.4 Ų17.472.8 Ų72.89%0.08938%0.384CS..Hα-helixtrans-71.5-22.1177.6-65.5163.8000111I1279 A1282 L1327 L1328 E1329 K1333 S1334 R1344I1279-I1331 HydrophobicContact CB-CG2 4.44Å; I1279-I1331 HydrophobicContact CD1-CG2 4.22Å; I1279-I1331 HydrophobicContact CG1-CG2 3.66Å; I1279-I1331 HydrophobicContact CG2-CG2 4.29Å; A1282-I1331 HydrophobicContact CB-CD1 3.32Å; A1282-I1331 VanDerWaalsContact CB-CD1 3.44Å; A1282-I1331 HydrophobicContact CB-CG1 4.42Å; L1327-I1331 HydrophobicContact CG-CD1 4.36Å; L1327-I1331 WeakPolarHBondContact O-CD1 3.45Å; L1327-I1331 WeakPolarHBondContact O-CG1 3.39Å; L1327-I1331 PolarHBondContact O-N 3.01Å; L1327-I1331 VanDerWaalsContact O-N 3.08Å; L1328-I1331 HydrophobicContact CD2-CD1 4.45Å; L1328-I1331 PolarHBondContact O-N 3.24Å; E1329-I1331 VanDerWaalsContact C-N 3.32Å; E1329-I1331 PolarHBondContact O-N 3.16Å; I1331-K1333 PolarHBondContact O-N 2.92Å; I1331-K1333 VanDerWaalsContact O-N 3.1Å; I1331-S1334 VanDerWaalsContact O-CB 3.3Å; I1331-S1334 WeakPolarHBondContact O-CB 3.3Å; I1331-S1334 PolarHBondContact O-N 3.18Å; I1331-S1334 PolarHBondContact O-OG 3.48Å; I1331-R1344 VanDerWaalsContact O-CZ 3.31Å; I1331-R1344 PolarHBondContact O-NE 2.89Å; I1331-R1344 PolarHBondContact O-NH2 2.67Å
1332K71.9Confident76.5Confident136.2 Ų136.278.8 Ų78.859%0.59242%0.417SS*.Hα-helixtrans-69.9-12.9179.3-159.7173.4-178.3171.90113.2L1328 E1329 S1330 S1334L1328-K1332 PolarHBondContact O-N 3.32Å; L1328-K1332 VanDerWaalsContact O-N 3.13Å; E1329-K1332 WeakPolarHBondContact O-CB 3.28Å; E1329-K1332 WeakPolarHBondContact O-CD 3.24Å; E1329-K1332 VanDerWaalsContact O-CG 3.27Å; E1329-K1332 WeakPolarHBondContact O-CG 2.97Å; E1329-K1332 PolarHBondContact O-N 3.17Å; S1330-K1332 VanDerWaalsContact C-N 3.35Å; S1330-K1332 PolarHBondContact O-N 3.21Å; K1332-S1334 VanDerWaalsContact C-N 3.31Å; K1332-S1334 PolarHBondContact O-N 2.91Å
1333K67.5Low76.1Confident186 Ų18680.4 Ų80.481%0.80942%0.422SS*.THydrogen-bonded Turntrans-65.83.2171.6-65.4178.8-178.1175.70114.5E1329 S1330 I1331E1329-K1333 PolarHBondContact O-N 3.39Å; S1330-K1333 PolarHBondContact O-N 3.22Å; I1331-K1333 PolarHBondContact O-N 2.92Å; I1331-K1333 VanDerWaalsContact O-N 3.1Å
1334S65.7Low75.6Confident49.8 Ų49.876.4 Ų76.435%0.34840%0.399SS..SBendtrans-90.1132.8162.968.60000112.2I1331 K1332 L1336I1331-S1334 VanDerWaalsContact O-CB 3.3Å; I1331-S1334 WeakPolarHBondContact O-CB 3.3Å; I1331-S1334 PolarHBondContact O-N 3.18Å; I1331-S1334 PolarHBondContact O-OG 3.48Å; K1332-S1334 VanDerWaalsContact C-N 3.31Å; K1332-S1334 PolarHBondContact O-N 2.91Å; S1334-L1336 VanDerWaalsContact C-N 3.27Å; S1334-L1336 PolarHBondContact O-N 2.97Å; S1334-L1336 VanDerWaalsContact O-N 3.11Å
1335S61.9Low75.3Confident97 Ų9776.6 Ų76.668%0.67840%0.403SS*.SBendtrans-84.88.7-171.654.10000115.6S1272 N1337S1272-S1335 WeakPolarHBondContact OG-CB 3.26Å; S1272-S1335 PolarHBondContact OG-OG 3.27Å; S1272-S1335 VanDerWaalsContact OG-OG 3.12Å; S1335-N1337 PolarHBondContact O-N 3.27Å
1336L61.2Low75.2Confident37.2 Ų37.279.6 Ų79.620%0.19542%0.416CS..  trans-99.494.5-175.1-73.3157.2000111.6S1272 V1275 E1276 I1279 S1334 N1338 V1339 Q1340 F1341 R1344S1272-L1336 VanDerWaalsContact O-CD1 3.28Å; S1272-L1336 WeakPolarHBondContact O-CD1 3.45Å; S1272-L1336 VanDerWaalsContact OG-CD2 3.31Å; S1272-L1336 WeakPolarHBondContact OG-CD2 3.29Å; V1275-L1336 HydrophobicContact CB-CD1 3.59Å; V1275-L1336 VanDerWaalsContact CB-CD1 3.48Å; V1275-L1336 HydrophobicContact CB-CG 4.36Å; V1275-L1336 HydrophobicContact CG1-CB 4.38Å; V1275-L1336 HydrophobicContact CG1-CD1 3.67Å; V1275-L1336 VanDerWaalsContact CG1-CD1 3.48Å; V1275-L1336 HydrophobicContact CG1-CG 4.12Å; V1275-L1336 HydrophobicContact CG2-CD1 4.22Å; E1276-L1336 HydrophobicContact CB-CD1 4.27Å; I1279-L1336 HydrophobicContact CB-CD2 4.38Å; I1279-L1336 HydrophobicContact CD1-CB 4.19Å; I1279-L1336 HydrophobicContact CD1-CD1 4.41Å; I1279-L1336 HydrophobicContact CD1-CD2 3.34Å; I1279-L1336 HydrophobicContact CD1-CG 3.67Å; I1279-L1336 HydrophobicContact CG1-CD2 3.93Å; I1279-L1336 HydrophobicContact CG2-CD2 3.69Å; S1334-L1336 VanDerWaalsContact C-N 3.27Å; S1334-L1336 PolarHBondContact O-N 2.97Å; S1334-L1336 VanDerWaalsContact O-N 3.11Å; L1336-N1338 VanDerWaalsContact C-N 3.31Å; L1336-N1338 PolarHBondContact O-N 3.35Å; L1336-V1339 HydrophobicContact CB-CG2 4.29Å; L1336-V1339 HydrophobicContact CD1-CG2 4.39Å; L1336-Q1340 HydrophobicContact CD2-CB 3.73Å; L1336-F1341 HydrophobicContact CB-CB 4.14Å; L1336-F1341 HydrophobicContact CB-CD2 4.47Å; L1336-F1341 HydrophobicContact CD1-CD2 4.44Å; L1336-R1344 PolarHBondContact O-NH1 3.28Å; L1336-R1344 PolarHBondContact O-NH2 3.16Å; L1336-R1344 VanDerWaalsContact O-NH2 3.1Å
1337N60.7Low75.3Confident93.4 Ų93.477.7 Ų77.750%0.49940%0.397SS..  trans-77.1-15.1-175.6-75.1-19.2000114.2E1276 S1335 V1339 Q1340 F1341 R1344E1276-N1337 PolarHBondContact OE2-ND2 2.86Å; S1335-N1337 PolarHBondContact O-N 3.27Å; N1337-V1339 VanDerWaalsContact C-N 3.25Å; N1337-V1339 PolarHBondContact O-N 3.44Å; N1337-V1339 VanDerWaalsContact O-N 3.08Å; N1337-Q1340 PolarHBondContact O-N 3.46Å; N1337-F1341 WeakPolarHBondContact O-CB 3.35Å; N1337-F1341 VanDerWaalsContact O-CD2 3.25Å; N1337-F1341 WeakPolarHBondContact O-CD2 3.43Å; N1337-F1341 PolarHBondContact O-N 3.36Å; N1337-R1344 VanDerWaalsContact C-NH2 3.26Å; N1337-R1344 PolarHBondContact O-NH2 3.08Å
1338N66.7Low75.3Confident146.8 Ų146.879 Ų7979%0.78540%0.402SS*.SBendtrans-88.3-32.7-168.2-67.6-6.6000115L1336 Q1340 F1341 D1342L1336-N1338 VanDerWaalsContact C-N 3.31Å; L1336-N1338 PolarHBondContact O-N 3.35Å; N1338-Q1340 PolarHBondContact O-N 3.13Å; N1338-F1341 WeakPolarHBondContact O-CB 3.47Å; N1338-F1341 PolarHBondContact O-N 3.09Å; N1338-D1342 WeakPolarHBondContact O-CB 3.27Å; N1338-D1342 PolarHBondContact O-N 2.98Å
1339V66Low75.5Confident55.8 Ų55.884.4 Ų84.434%0.33843%0.427SS..THydrogen-bonded Turntrans-72.485.6-175.7178.50000111.4E1276 I1279 L1336 N1337 F1341 K1343 R1344E1276-V1339 HydrophobicContact CB-CG1 4.07Å; E1276-V1339 HydrophobicContact CB-CG2 4.47Å; E1276-V1339 HydrophobicContact CG-CG1 3.69Å; E1276-V1339 VanDerWaalsContact CG-CG1 3.49Å; E1276-V1339 HydrophobicContact CG-CG2 4.42Å; E1276-V1339 VanDerWaalsContact OE1-CG1 3.24Å; E1276-V1339 WeakPolarHBondContact OE1-CG1 3.45Å; E1276-V1339 WeakPolarHBondContact OE2-CG2 3.45Å; I1279-V1339 HydrophobicContact CD1-CB 4.27Å; I1279-V1339 HydrophobicContact CD1-CG1 4.28Å; I1279-V1339 HydrophobicContact CG2-CG1 4.4Å; L1336-V1339 HydrophobicContact CB-CG2 4.29Å; L1336-V1339 HydrophobicContact CD1-CG2 4.39Å; N1337-V1339 VanDerWaalsContact C-N 3.25Å; N1337-V1339 PolarHBondContact O-N 3.44Å; N1337-V1339 VanDerWaalsContact O-N 3.08Å; V1339-F1341 PolarHBondContact O-N 2.92Å; V1339-F1341 VanDerWaalsContact O-N 3.11Å; V1339-K1343 PolarHBondContact O-N 2.96Å; V1339-R1344 VanDerWaalsContact O-CZ 3.26Å; V1339-R1344 PolarHBondContact O-NE 3.38Å; V1339-R1344 PolarHBondContact O-NH1 3.02Å; V1339-R1344 PolarHBondContact O-NH2 3.15Å
1340Q69.6Low75.7Confident46.4 Ų46.478.6 Ų78.622%0.21740%0.4CS..THydrogen-bonded Turntrans15.416.6179.3-61-172.44.600113.7E1276 I1279 I1283 L1336 N1337 N1338 D1342 K1343 R1344E1276-Q1340 VanDerWaalsContact CG-CD 3.5Å; E1276-Q1340 VanDerWaalsContact CG-NE2 3.31Å; E1276-Q1340 PolarHBondContact OE1-NE2 3.14Å; I1279-Q1340 HydrophobicContact CG2-CB 4.39Å; I1279-Q1340 VanDerWaalsContact CG2-OE1 3.3Å; I1283-Q1340 HydrophobicContact CD1-CB 3.97Å; I1283-Q1340 HydrophobicContact CD1-CG 4.48Å; L1336-Q1340 HydrophobicContact CD2-CB 3.73Å; N1337-Q1340 PolarHBondContact O-N 3.46Å; N1338-Q1340 PolarHBondContact O-N 3.13Å; Q1340-D1342 VanDerWaalsContact C-N 3.3Å; Q1340-D1342 PolarHBondContact O-N 3.14Å; Q1340-K1343 HydrophobicContact CB-CB 4.4Å; Q1340-K1343 PolarHBondContact O-N 3.3Å; Q1340-K1343 VanDerWaalsContact O-N 3.14Å; Q1340-R1344 WeakPolarHBondContact O-CB 3.26Å; Q1340-R1344 PolarHBondContact O-N 3.25Å
1341F73.5Confident76.1Confident104.8 Ų104.875.2 Ų75.246%0.4638%0.376SS..Hα-helixtrans-55.4-44.6178-176.3-94.2000111.9L1336 N1337 N1338 V1339 K1343 R1344 T1345L1336-F1341 HydrophobicContact CB-CB 4.14Å; L1336-F1341 HydrophobicContact CB-CD2 4.47Å; L1336-F1341 HydrophobicContact CD1-CD2 4.44Å; N1337-F1341 WeakPolarHBondContact O-CB 3.35Å; N1337-F1341 VanDerWaalsContact O-CD2 3.25Å; N1337-F1341 WeakPolarHBondContact O-CD2 3.43Å; N1337-F1341 PolarHBondContact O-N 3.36Å; N1338-F1341 WeakPolarHBondContact O-CB 3.47Å; N1338-F1341 PolarHBondContact O-N 3.09Å; V1339-F1341 PolarHBondContact O-N 2.92Å; V1339-F1341 VanDerWaalsContact O-N 3.11Å; F1341-K1343 PolarHBondContact O-N 2.91Å; F1341-R1344 VanDerWaalsContact CD2-NH2 3.34Å; F1341-R1344 PolarHBondContact O-N 3.1Å; F1341-T1345 HydrophobicContact CD1-CG2 4.17Å; F1341-T1345 WeakPolarHBondContact CD1-OG1 3.38Å; F1341-T1345 HydrophobicContact CE1-CG2 3.71Å; F1341-T1345 WeakPolarHBondContact CE1-OG1 3.49Å; F1341-T1345 HydrophobicContact CE2-CG2 4.11Å; F1341-T1345 HydrophobicContact CZ-CG2 3.68Å; F1341-T1345 WeakPolarHBondContact CZ-OG1 3.48Å; F1341-T1345 VanDerWaalsContact O-CB 3.26Å; F1341-T1345 WeakPolarHBondContact O-CB 3.32Å; F1341-T1345 PolarHBondContact O-N 3.13Å; F1341-T1345 PolarHBondContact O-OG1 3.1Å
1342D79.8Confident76.7Confident126.2 Ų126.277.5 Ų77.568%0.67539%0.391SS*.Hα-helixtrans-63.8-43.3-179.5-62.3-22.5000111.9N1338 Q1340 T1345 F1346N1338-D1342 WeakPolarHBondContact O-CB 3.27Å; N1338-D1342 PolarHBondContact O-N 2.98Å; Q1340-D1342 VanDerWaalsContact C-N 3.3Å; Q1340-D1342 PolarHBondContact O-N 3.14Å; D1342-T1345 WeakPolarHBondContact CA-OG1 3.23Å; D1342-T1345 PolarHBondContact O-N 3.18Å; D1342-T1345 PolarHBondContact O-OG1 3.49Å; D1342-F1346 VanDerWaalsContact O-CB 3.28Å; D1342-F1346 WeakPolarHBondContact O-CB 3.44Å; D1342-F1346 PolarHBondContact O-N 3.11Å
1343K81.9Confident77.4Confident109.6 Ų109.672.3 Ų72.348%0.47737%0.37SS..Hα-helixtrans-66.1-41.3176.8-72.9-168.4176.2-170.20112.4I1283 V1339 Q1340 F1341 T1345 F1346 W1347I1283-K1343 HydrophobicContact CD1-CB 4.2Å; I1283-K1343 HydrophobicContact CG2-CB 4.43Å; I1283-K1343 HydrophobicContact CG2-CD 4.2Å; V1339-K1343 PolarHBondContact O-N 2.96Å; Q1340-K1343 HydrophobicContact CB-CB 4.4Å; Q1340-K1343 PolarHBondContact O-N 3.3Å; Q1340-K1343 VanDerWaalsContact O-N 3.14Å; F1341-K1343 PolarHBondContact O-N 2.91Å; K1343-T1345 VanDerWaalsContact C-N 3.35Å; K1343-F1346 WeakPolarHBondContact O-CB 3.37Å; K1343-F1346 PolarHBondContact O-N 3.16Å; K1343-W1347 WeakPolarHBondContact O-CB 3.4Å; K1343-W1347 VanDerWaalsContact O-CD1 3.31Å; K1343-W1347 PolarHBondContact O-N 3.13Å
1344R79.9Confident78.5Confident22 Ų2263.4 Ų63.48%0.08333%0.331CS..Hα-helixtrans-64.3-46.1176.7-110.6-174.6-64.5-123.6-4.4111.4I1279 I1283 L1328 I1331 L1336 N1337 V1339 Q1340 F1341 F1346 W1347 Q1348I1279-R1344 VanDerWaalsContact CD1-NH1 3.25Å; I1283-R1344 HydrophobicContact CD1-CG 3.78Å; I1283-R1344 HydrophobicContact CG1-CG 4.44Å; L1328-R1344 HydrophobicContact CD1-CG 3.76Å; L1328-R1344 HydrophobicContact CD2-CG 4.27Å; L1328-R1344 HydrophobicContact CG-CG 4.16Å; L1328-R1344 PolarHBondContact O-NH2 3.04Å; I1331-R1344 VanDerWaalsContact O-CZ 3.31Å; I1331-R1344 PolarHBondContact O-NE 2.89Å; I1331-R1344 PolarHBondContact O-NH2 2.67Å; L1336-R1344 PolarHBondContact O-NH1 3.28Å; L1336-R1344 PolarHBondContact O-NH2 3.16Å; L1336-R1344 VanDerWaalsContact O-NH2 3.1Å; N1337-R1344 VanDerWaalsContact C-NH2 3.26Å; N1337-R1344 PolarHBondContact O-NH2 3.08Å; V1339-R1344 VanDerWaalsContact O-CZ 3.26Å; V1339-R1344 PolarHBondContact O-NE 3.38Å; V1339-R1344 PolarHBondContact O-NH1 3.02Å; V1339-R1344 PolarHBondContact O-NH2 3.15Å; Q1340-R1344 WeakPolarHBondContact O-CB 3.26Å; Q1340-R1344 PolarHBondContact O-N 3.25Å; F1341-R1344 VanDerWaalsContact CD2-NH2 3.34Å; F1341-R1344 PolarHBondContact O-N 3.1Å; R1344-F1346 VanDerWaalsContact C-N 3.33Å; R1344-W1347 PolarHBondContact O-N 3.03Å; R1344-Q1348 VanDerWaalsContact O-CB 3.29Å; R1344-Q1348 WeakPolarHBondContact O-CB 3.35Å; R1344-Q1348 PolarHBondContact O-N 3.24Å
1345T83.5Confident79.7Confident38.4 Ų38.462 Ų6224%0.23632%0.32CS..Hα-helixtrans-62.8-44.3178.2-40.40000110.3F1341 D1342 K1343 W1347 Q1348 E1349F1341-T1345 HydrophobicContact CD1-CG2 4.17Å; F1341-T1345 WeakPolarHBondContact CD1-OG1 3.38Å; F1341-T1345 HydrophobicContact CE1-CG2 3.71Å; F1341-T1345 WeakPolarHBondContact CE1-OG1 3.49Å; F1341-T1345 HydrophobicContact CE2-CG2 4.11Å; F1341-T1345 HydrophobicContact CZ-CG2 3.68Å; F1341-T1345 WeakPolarHBondContact CZ-OG1 3.48Å; F1341-T1345 VanDerWaalsContact O-CB 3.26Å; F1341-T1345 WeakPolarHBondContact O-CB 3.32Å; F1341-T1345 PolarHBondContact O-N 3.13Å; F1341-T1345 PolarHBondContact O-OG1 3.1Å; D1342-T1345 WeakPolarHBondContact CA-OG1 3.23Å; D1342-T1345 PolarHBondContact O-N 3.18Å; D1342-T1345 PolarHBondContact O-OG1 3.49Å; K1343-T1345 VanDerWaalsContact C-N 3.35Å; T1345-W1347 PolarHBondContact O-N 3.27Å; T1345-Q1348 PolarHBondContact O-N 3.36Å; T1345-E1349 HydrophobicContact CG2-CG 4.48Å; T1345-E1349 WeakPolarHBondContact O-CB 3.32Å; T1345-E1349 WeakPolarHBondContact O-CG 3.21Å; T1345-E1349 PolarHBondContact O-N 3.03Å
1346F88.2Confident80.9Confident101.4 Ų101.461.6 Ų61.645%0.44531%0.307SS..Hα-helixtrans-55.2-50.9172.4172-96000112.1D1342 K1343 R1344 Q1348 E1349 S1350 R1411D1342-F1346 VanDerWaalsContact O-CB 3.28Å; D1342-F1346 WeakPolarHBondContact O-CB 3.44Å; D1342-F1346 PolarHBondContact O-N 3.11Å; K1343-F1346 WeakPolarHBondContact O-CB 3.37Å; K1343-F1346 PolarHBondContact O-N 3.16Å; R1344-F1346 VanDerWaalsContact C-N 3.33Å; F1346-Q1348 VanDerWaalsContact C-N 3.35Å; F1346-Q1348 PolarHBondContact O-N 3.11Å; F1346-E1349 PolarHBondContact O-N 3.41Å; F1346-S1350 WeakPolarHBondContact O-CB 3.26Å; F1346-S1350 PolarHBondContact O-N 3.15Å; F1346-S1350 PolarHBondContact O-OG 3.29Å; F1346-R1411 VanDerWaalsContact CE2-NH1 3.28Å; F1346-R1411 VanDerWaalsContact CZ-NH1 3.28Å
1347W88.5Confident82.3Confident13.8 Ų13.861.1 Ų61.15%0.05230%0.302CS..Hα-helixtrans-65.7-37.1179.5-86118.5000112.7L1286 D1287 A1290 L1328 K1343 R1344 T1345 S1350 L1351 M1408L1286-W1347 HydrophobicContact CB-CD2 3.96Å; L1286-W1347 HydrophobicContact CB-CE3 4.35Å; L1286-W1347 HydrophobicContact CB-CG 4.32Å; L1286-W1347 HydrophobicContact CB-CZ2 4.38Å; L1286-W1347 HydrophobicContact CD1-CB 3.99Å; L1286-W1347 HydrophobicContact CD1-CD2 4.27Å; L1286-W1347 HydrophobicContact CD1-CG 3.86Å; D1287-W1347 WeakPolarHBondContact OD1-CZ2 3.39Å; D1287-W1347 PolarHBondContact OD1-NE1 3.15Å; D1287-W1347 VanDerWaalsContact OD1-NE1 3.15Å; A1290-W1347 HydrophobicContact CB-CH2 3.33Å; A1290-W1347 HydrophobicContact CB-CZ2 4.21Å; A1290-W1347 HydrophobicContact CB-CZ3 4.01Å; L1328-W1347 HydrophobicContact CD1-CB 3.87Å; L1328-W1347 HydrophobicContact CD2-CB 4.35Å; K1343-W1347 WeakPolarHBondContact O-CB 3.4Å; K1343-W1347 VanDerWaalsContact O-CD1 3.31Å; K1343-W1347 PolarHBondContact O-N 3.13Å; R1344-W1347 PolarHBondContact O-N 3.03Å; T1345-W1347 PolarHBondContact O-N 3.27Å; W1347-S1350 PolarHBondContact O-N 3.23Å; W1347-L1351 HydrophobicContact CE3-CG 4.48Å; W1347-L1351 WeakPolarHBondContact O-CB 3.35Å; W1347-L1351 VanDerWaalsContact O-CG 3.27Å; W1347-L1351 WeakPolarHBondContact O-CG 3.37Å; W1347-L1351 PolarHBondContact O-N 3.15Å; W1347-M1408 HydrophobicContact CH2-CE 4.16Å; W1347-M1408 HydrophobicContact CZ3-CE 3.91Å; W1347-M1408 HydrophobicContact CZ3-SD 4.29Å
1348Q86.3Confident83.6Confident72.2 Ų72.256.6 Ų56.634%0.33728%0.279SS..Hα-helixtrans-63.6-50.3176.9-174.6172.2-3.800111.1L1328 R1344 T1345 F1346 S1350 L1351 V1352L1328-Q1348 HydrophobicContact CD1-CB 4.32Å; L1328-Q1348 VanDerWaalsContact CD2-CA 3.42Å; L1328-Q1348 HydrophobicContact CD2-CB 3.58Å; L1328-Q1348 HydrophobicContact CD2-CG 4.22Å; L1328-Q1348 VanDerWaalsContact CD2-N 3.31Å; R1344-Q1348 VanDerWaalsContact O-CB 3.29Å; R1344-Q1348 WeakPolarHBondContact O-CB 3.35Å; R1344-Q1348 PolarHBondContact O-N 3.24Å; T1345-Q1348 PolarHBondContact O-N 3.36Å; F1346-Q1348 VanDerWaalsContact C-N 3.35Å; F1346-Q1348 PolarHBondContact O-N 3.11Å; Q1348-S1350 VanDerWaalsContact C-N 3.29Å; Q1348-S1350 PolarHBondContact O-N 3.09Å; Q1348-L1351 PolarHBondContact O-N 3.13Å; Q1348-V1352 WeakPolarHBondContact O-CB 3.36Å; Q1348-V1352 VanDerWaalsContact O-CG2 3.27Å; Q1348-V1352 WeakPolarHBondContact O-CG2 3.38Å; Q1348-V1352 PolarHBondContact O-N 3.05Å; Q1348-V1352 VanDerWaalsContact O-N 3.13Å
1349E88.6Confident84.7Confident123 Ų12353.8 Ų53.858%0.57526%0.26SS*.Hα-helixtrans-62.1-39.2175.2-70.117817800111.6T1345 F1346 V1352 D1353T1345-E1349 HydrophobicContact CG2-CG 4.48Å; T1345-E1349 WeakPolarHBondContact O-CB 3.32Å; T1345-E1349 WeakPolarHBondContact O-CG 3.21Å; T1345-E1349 PolarHBondContact O-N 3.03Å; F1346-E1349 PolarHBondContact O-N 3.41Å; E1349-V1352 PolarHBondContact O-N 3.08Å; E1349-D1353 VanDerWaalsContact O-CB 3.31Å; E1349-D1353 WeakPolarHBondContact O-CB 3.38Å; E1349-D1353 PolarHBondContact O-N 2.94Å
1350S88.7Confident85.7Confident0.4 Ų0.451.7 Ų51.70%0.00325%0.248CC..Hα-helixtrans-63.9-45.9179.6-61.80000112.4F1346 W1347 Q1348 L1354 R1411F1346-S1350 WeakPolarHBondContact O-CB 3.26Å; F1346-S1350 PolarHBondContact O-N 3.15Å; F1346-S1350 PolarHBondContact O-OG 3.29Å; W1347-S1350 PolarHBondContact O-N 3.23Å; Q1348-S1350 VanDerWaalsContact C-N 3.29Å; Q1348-S1350 PolarHBondContact O-N 3.09Å; S1350-L1354 WeakPolarHBondContact O-CB 3.32Å; S1350-L1354 PolarHBondContact O-N 3.25Å; S1350-R1411 VanDerWaalsContact CA-CZ 3.45Å; S1350-R1411 VanDerWaalsContact CB-CZ 3.48Å; S1350-R1411 WeakPolarHBondContact O-CD 3.28Å; S1350-R1411 VanDerWaalsContact OG-CZ 3.31Å; S1350-R1411 PolarHBondContact OG-NH1 3.32Å; S1350-R1411 PolarHBondContact OG-NH2 2.96Å; S1350-R1411 VanDerWaalsContact OG-NH2 3.13Å
1351L90.1Very high86.7Confident0.6 Ų0.649.4 Ų49.40%0.00324%0.238CC..Hα-helixtrans-71.3-34.8179.8-70.5175.7000112.3L1286 W1289 V1321 K1324 Q1325 L1328 W1347 Q1348 L1354 N1355L1286-L1351 HydrophobicContact CD2-CD1 4.17Å; W1289-L1351 HydrophobicContact CE3-CD2 4.46Å; W1289-L1351 HydrophobicContact CH2-CD2 3.82Å; W1289-L1351 HydrophobicContact CZ3-CD2 3.59Å; W1289-L1351 VanDerWaalsContact CZ3-CD2 3.49Å; V1321-L1351 HydrophobicContact CG1-CD2 4.46Å; K1324-L1351 HydrophobicContact CB-CD1 3.83Å; K1324-L1351 HydrophobicContact CB-CD2 4.31Å; Q1325-L1351 HydrophobicContact CG-CB 3.81Å; Q1325-L1351 HydrophobicContact CG-CD1 4.15Å; Q1325-L1351 PolarHBondContact NE2-O 3.14Å; Q1325-L1351 VanDerWaalsContact NE2-O 3.12Å; L1328-L1351 HydrophobicContact CD1-CD1 3.71Å; L1328-L1351 HydrophobicContact CD2-CD1 4.34Å; W1347-L1351 HydrophobicContact CE3-CG 4.48Å; W1347-L1351 WeakPolarHBondContact O-CB 3.35Å; W1347-L1351 VanDerWaalsContact O-CG 3.27Å; W1347-L1351 WeakPolarHBondContact O-CG 3.37Å; W1347-L1351 PolarHBondContact O-N 3.15Å; Q1348-L1351 PolarHBondContact O-N 3.13Å; L1351-L1354 HydrophobicContact CD2-CD2 4.43Å; L1351-N1355 VanDerWaalsContact O-CB 3.24Å; L1351-N1355 WeakPolarHBondContact O-CB 3.26Å; L1351-N1355 PolarHBondContact O-N 3.26Å
1352V89.6Confident87.4Confident66.8 Ų66.846.8 Ų46.841%0.40523%0.227SC..Hα-helixtrans-66.2-49.1174.8172.30000110.5Q1348 E1349 L1354 N1355 E1356Q1348-V1352 WeakPolarHBondContact O-CB 3.36Å; Q1348-V1352 VanDerWaalsContact O-CG2 3.27Å; Q1348-V1352 WeakPolarHBondContact O-CG2 3.38Å; Q1348-V1352 PolarHBondContact O-N 3.05Å; Q1348-V1352 VanDerWaalsContact O-N 3.13Å; E1349-V1352 PolarHBondContact O-N 3.08Å; V1352-L1354 VanDerWaalsContact C-N 3.32Å; V1352-L1354 PolarHBondContact O-N 3.17Å; V1352-N1355 PolarHBondContact O-N 3.14Å; V1352-E1356 WeakPolarHBondContact O-CG 3.41Å; V1352-E1356 PolarHBondContact O-N 3.2Å; V1352-E1356 VanDerWaalsContact O-N 3.14Å
1353D88.4Confident87.7Confident26.4 Ų26.443.5 Ų43.514%0.14121%0.207CC..Hα-helixtrans-61.8-41.2176.7-17640.3000111.6E1349 E1356 R1357 R1411 K1417E1349-D1353 VanDerWaalsContact O-CB 3.31Å; E1349-D1353 WeakPolarHBondContact O-CB 3.38Å; E1349-D1353 PolarHBondContact O-N 2.94Å; D1353-E1356 PolarHBondContact O-N 3.36Å; D1353-R1357 VanDerWaalsContact CG-NE 3.29Å; D1353-R1357 WeakPolarHBondContact O-CB 3.39Å; D1353-R1357 VanDerWaalsContact O-CG 3.25Å; D1353-R1357 WeakPolarHBondContact O-CG 3.18Å; D1353-R1357 PolarHBondContact O-N 3.36Å; D1353-R1357 VanDerWaalsContact O-N 3.09Å; D1353-R1357 IonicContact OD1-CZ 3.48Å; D1353-R1357 IonicContact OD1-NE 2.92Å; D1353-R1357 PolarHBondContact OD1-NE 3.29Å; D1353-R1357 IonicContact OD1-NH2 3.64Å; D1353-R1357 IonicContact OD2-CZ 3.37Å; D1353-R1357 VanDerWaalsContact OD2-CZ 3.28Å; D1353-R1357 IonicContact OD2-NE 2.86Å; D1353-R1357 PolarHBondContact OD2-NE 2.9Å; D1353-R1357 VanDerWaalsContact OD2-NE 3.11Å; D1353-R1357 IonicContact OD2-NH2 3.21Å; D1353-R1357 PolarHBondContact OD2-NH2 2.99Å; D1353-R1411 IonicContact OD2-NE 3.51Å; D1353-R1411 PolarHBondContact OD2-NE 3.17Å; D1353-R1411 VanDerWaalsContact OD2-NE 3.08Å; D1353-K1417 WeakPolarHBondContact OD1-CD 3.44Å; D1353-K1417 WeakPolarHBondContact OD1-CE 3.43Å; D1353-K1417 IonicContact OD1-NZ 2.78Å; D1353-K1417 PolarHBondContact OD1-NZ 2.96Å
1354L89.6Confident88Confident0.2 Ų0.238.3 Ų38.30%0.00119%0.185CC..Hα-helixtrans-63.4-46177-177.765.3000111.9W1289 V1321 S1350 L1351 V1352 E1356 R1357 I1358 V1407 M1408 L1410 R1411W1289-L1354 HydrophobicContact CH2-CD2 3.83Å; W1289-L1354 HydrophobicContact CZ3-CD2 4.37Å; V1321-L1354 HydrophobicContact CG2-CD2 4.17Å; S1350-L1354 WeakPolarHBondContact O-CB 3.32Å; S1350-L1354 PolarHBondContact O-N 3.25Å; L1351-L1354 HydrophobicContact CD2-CD2 4.43Å; V1352-L1354 VanDerWaalsContact C-N 3.32Å; V1352-L1354 PolarHBondContact O-N 3.17Å; L1354-E1356 VanDerWaalsContact C-N 3.34Å; L1354-E1356 PolarHBondContact O-N 3.18Å; L1354-R1357 PolarHBondContact O-N 2.89Å; L1354-I1358 HydrophobicContact CD1-CD1 4.01Å; L1354-I1358 HydrophobicContact CD1-CG1 4.22Å; L1354-I1358 HydrophobicContact CD2-CD1 4.37Å; L1354-I1358 HydrophobicContact CG-CD1 3.73Å; L1354-I1358 HydrophobicContact CG-CG1 4.33Å; L1354-I1358 WeakPolarHBondContact O-CB 3.04Å; L1354-I1358 VanDerWaalsContact O-CG1 3.25Å; L1354-I1358 WeakPolarHBondContact O-CG1 3.38Å; L1354-I1358 PolarHBondContact O-N 3.43Å; L1354-V1407 HydrophobicContact CD1-CG1 3.88Å; L1354-V1407 WeakPolarHBondContact CD1-O 3.36Å; L1354-V1407 HydrophobicContact CD2-CG1 3.83Å; L1354-V1407 HydrophobicContact CG-CG1 4.21Å; L1354-M1408 HydrophobicContact CD2-SD 4.01Å; L1354-L1410 HydrophobicContact CD1-CB 4.13Å; L1354-L1410 HydrophobicContact CD1-CD1 4.31Å; L1354-R1411 HydrophobicContact CD1-CG 4.4Å
1355N90.3Very high88.4Confident19.8 Ų19.837.8 Ų37.811%0.10618%0.183CC..Hα-helixtrans-58.9-46177.8-176.849.9000111.5L1318 V1321 L1351 V1352 R1357 I1358 Q1359L1318-N1355 WeakPolarHBondContact CD2-OD1 3.42Å; V1321-N1355 HydrophobicContact CG1-CB 3.95Å; L1351-N1355 VanDerWaalsContact O-CB 3.24Å; L1351-N1355 WeakPolarHBondContact O-CB 3.26Å; L1351-N1355 PolarHBondContact O-N 3.26Å; V1352-N1355 PolarHBondContact O-N 3.14Å; N1355-R1357 VanDerWaalsContact C-N 3.34Å; N1355-R1357 PolarHBondContact O-N 3.22Å; N1355-I1358 PolarHBondContact O-N 3.23Å; N1355-Q1359 PolarHBondContact ND2-NE2 3.32Å; N1355-Q1359 VanDerWaalsContact ND2-NE2 3.18Å; N1355-Q1359 WeakPolarHBondContact O-CB 3.42Å; N1355-Q1359 VanDerWaalsContact O-CG 3.29Å; N1355-Q1359 WeakPolarHBondContact O-CG 3.23Å; N1355-Q1359 PolarHBondContact O-N 3Å; N1355-Q1359 PolarHBondContact OD1-NE2 2.94Å; N1355-Q1359 VanDerWaalsContact OD1-NE2 3.15Å
1356E88.4Confident88.3Confident89 Ų8943.3 Ų43.342%0.41620%0.2SC..Hα-helixtrans-61.6-41.2176.6-71.7-178.1-176.100112.4V1352 D1353 L1354 C1360 K1417V1352-E1356 WeakPolarHBondContact O-CG 3.41Å; V1352-E1356 PolarHBondContact O-N 3.2Å; V1352-E1356 VanDerWaalsContact O-N 3.14Å; D1353-E1356 PolarHBondContact O-N 3.36Å; L1354-E1356 VanDerWaalsContact C-N 3.34Å; L1354-E1356 PolarHBondContact O-N 3.18Å; E1356-C1360 VanDerWaalsContact O-CB 3.29Å; E1356-C1360 WeakPolarHBondContact O-CB 3.38Å; E1356-C1360 PolarHBondContact O-N 3.16Å; E1356-K1417 WeakPolarHBondContact OE2-CE 3.24Å; E1356-K1417 IonicContact OE2-NZ 3.4Å; E1356-K1417 PolarHBondContact OE2-NZ 3.17Å
1357R89Confident88.1Confident25.2 Ų25.240.7 Ų40.710%0.09519%0.187CC..Hα-helixtrans-66.1-43.1177.2-71.6171-173.4-115.82.6112.2D1353 L1354 N1355 C1360 L1361 L1410 I1415 F1420D1353-R1357 VanDerWaalsContact CG-NE 3.29Å; D1353-R1357 WeakPolarHBondContact O-CB 3.39Å; D1353-R1357 VanDerWaalsContact O-CG 3.25Å; D1353-R1357 WeakPolarHBondContact O-CG 3.18Å; D1353-R1357 PolarHBondContact O-N 3.36Å; D1353-R1357 VanDerWaalsContact O-N 3.09Å; D1353-R1357 IonicContact OD1-CZ 3.48Å; D1353-R1357 IonicContact OD1-NE 2.92Å; D1353-R1357 PolarHBondContact OD1-NE 3.29Å; D1353-R1357 IonicContact OD1-NH2 3.64Å; D1353-R1357 IonicContact OD2-CZ 3.37Å; D1353-R1357 VanDerWaalsContact OD2-CZ 3.28Å; D1353-R1357 IonicContact OD2-NE 2.86Å; D1353-R1357 PolarHBondContact OD2-NE 2.9Å; D1353-R1357 VanDerWaalsContact OD2-NE 3.11Å; D1353-R1357 IonicContact OD2-NH2 3.21Å; D1353-R1357 PolarHBondContact OD2-NH2 2.99Å; L1354-R1357 PolarHBondContact O-N 2.89Å; N1355-R1357 VanDerWaalsContact C-N 3.34Å; N1355-R1357 PolarHBondContact O-N 3.22Å; R1357-C1360 PolarHBondContact O-N 3.26Å; R1357-L1361 VanDerWaalsContact O-CB 3.29Å; R1357-L1361 WeakPolarHBondContact O-CB 3.33Å; R1357-L1361 PolarHBondContact O-N 2.95Å; R1357-L1410 WeakPolarHBondContact CD-O 3.42Å; R1357-L1410 PolarHBondContact NH1-O 3.04Å; R1357-I1415 PolarHBondContact NH1-O 3.17Å; R1357-F1420 HydrophobicContact CB-CE2 4.28Å; R1357-F1420 HydrophobicContact CG-CD2 4.22Å; R1357-F1420 HydrophobicContact CG-CE2 4.15Å
1358I89.4Confident88Confident0 Ų040.5 Ų40.50%019%0.186CC..Hα-helixtrans-63.2-48.4177.9-67.9170.4000110.2F1295 W1314 V1317 L1318 V1321 L1354 N1355 C1360 L1361 H1362 V1407 L1410F1295-I1358 HydrophobicContact CZ-CD1 4.39Å; F1295-I1358 HydrophobicContact CZ-CG1 4.13Å; W1314-I1358 HydrophobicContact CE3-CG2 3.81Å; W1314-I1358 HydrophobicContact CZ3-CG2 3.89Å; W1314-I1358 WeakPolarHBondContact CZ3-O 3.28Å; V1317-I1358 HydrophobicContact CG1-CD1 3.95Å; L1318-I1358 HydrophobicContact CD2-CB 4.27Å; L1318-I1358 HydrophobicContact CD2-CG2 3.61Å; L1318-I1358 HydrophobicContact CG-CG2 3.94Å; V1321-I1358 HydrophobicContact CG2-CD1 4.06Å; L1354-I1358 HydrophobicContact CD1-CD1 4.01Å; L1354-I1358 HydrophobicContact CD1-CG1 4.22Å; L1354-I1358 HydrophobicContact CD2-CD1 4.37Å; L1354-I1358 HydrophobicContact CG-CD1 3.73Å; L1354-I1358 HydrophobicContact CG-CG1 4.33Å; L1354-I1358 WeakPolarHBondContact O-CB 3.04Å; L1354-I1358 VanDerWaalsContact O-CG1 3.25Å; L1354-I1358 WeakPolarHBondContact O-CG1 3.38Å; L1354-I1358 PolarHBondContact O-N 3.43Å; N1355-I1358 PolarHBondContact O-N 3.23Å; I1358-C1360 VanDerWaalsContact C-N 3.32Å; I1358-C1360 PolarHBondContact O-N 3.1Å; I1358-L1361 PolarHBondContact O-N 3.13Å; I1358-H1362 VanDerWaalsContact O-CB 3.28Å; I1358-H1362 WeakPolarHBondContact O-CB 3.32Å; I1358-H1362 PolarHBondContact O-N 3.06Å; I1358-V1407 HydrophobicContact CD1-CG1 3.81Å; I1358-L1410 HydrophobicContact CG1-CD1 3.74Å
1359Q88.6Confident87.8Confident87 Ų8740 Ų4041%0.40719%0.188SC..Hα-helixtrans-61.2-42.5177.8-70.7-176.3500111.7L1318 N1355 H1362 E1363L1318-Q1359 HydrophobicContact CD2-CG 3.94Å; N1355-Q1359 PolarHBondContact ND2-NE2 3.32Å; N1355-Q1359 VanDerWaalsContact ND2-NE2 3.18Å; N1355-Q1359 WeakPolarHBondContact O-CB 3.42Å; N1355-Q1359 VanDerWaalsContact O-CG 3.29Å; N1355-Q1359 WeakPolarHBondContact O-CG 3.23Å; N1355-Q1359 PolarHBondContact O-N 3Å; N1355-Q1359 PolarHBondContact OD1-NE2 2.94Å; N1355-Q1359 VanDerWaalsContact OD1-NE2 3.15Å; Q1359-H1362 WeakPolarHBondContact O-CB 3.5Å; Q1359-H1362 PolarHBondContact O-N 3.24Å; Q1359-E1363 WeakPolarHBondContact O-CB 3.46Å; Q1359-E1363 WeakPolarHBondContact O-CG 3.41Å; Q1359-E1363 PolarHBondContact O-N 3.14Å; Q1359-E1363 VanDerWaalsContact O-N 3.1Å
1360C88.4Confident87.1Confident11.6 Ų11.636.9 Ų36.98%0.07817%0.171CC..Hα-helixtrans-66.6-42.7177.5-165.10000112.2E1356 R1357 I1358 H1362 E1363 V1364 F1420E1356-C1360 VanDerWaalsContact O-CB 3.29Å; E1356-C1360 WeakPolarHBondContact O-CB 3.38Å; E1356-C1360 PolarHBondContact O-N 3.16Å; R1357-C1360 PolarHBondContact O-N 3.26Å; I1358-C1360 VanDerWaalsContact C-N 3.32Å; I1358-C1360 PolarHBondContact O-N 3.1Å; C1360-H1362 VanDerWaalsContact C-N 3.34Å; C1360-E1363 PolarHBondContact O-N 3.22Å; C1360-V1364 WeakPolarHBondContact O-CB 3.37Å; C1360-V1364 VanDerWaalsContact O-CG2 3.25Å; C1360-V1364 WeakPolarHBondContact O-CG2 3.32Å; C1360-V1364 PolarHBondContact O-N 3.12Å; C1360-F1420 HydrophobicContact CB-CB 4.28Å; C1360-F1420 PolarHBondContact SG-O 3.16Å
1361L89.3Confident86.7Confident0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-65.2-38.6176.8-178.662000111.4I1311 W1314 R1357 I1358 V1364 Q1365 F1394 I1397 M1398 L1401 L1410 F1420I1311-L1361 HydrophobicContact CD1-CD2 3.89Å; W1314-L1361 HydrophobicContact CH2-CB 4.14Å; W1314-L1361 HydrophobicContact CH2-CD2 3.83Å; W1314-L1361 HydrophobicContact CH2-CG 3.71Å; W1314-L1361 HydrophobicContact CZ3-CB 4.44Å; W1314-L1361 HydrophobicContact CZ3-CD2 4.36Å; W1314-L1361 HydrophobicContact CZ3-CG 4.45Å; R1357-L1361 VanDerWaalsContact O-CB 3.29Å; R1357-L1361 WeakPolarHBondContact O-CB 3.33Å; R1357-L1361 PolarHBondContact O-N 2.95Å; I1358-L1361 PolarHBondContact O-N 3.13Å; L1361-V1364 PolarHBondContact O-N 3.25Å; L1361-Q1365 WeakPolarHBondContact O-CB 3.4Å; L1361-Q1365 PolarHBondContact O-N 3.24Å; L1361-F1394 HydrophobicContact CD1-CD2 4.11Å; L1361-F1394 HydrophobicContact CD1-CE2 3.7Å; L1361-I1397 HydrophobicContact CD1-CG2 4.4Å; L1361-I1397 HydrophobicContact CD2-CG2 4.32Å; L1361-M1398 HydrophobicContact CD1-SD 4.33Å; L1361-L1401 HydrophobicContact CD2-CD1 3.91Å; L1361-L1410 HydrophobicContact CD2-CD1 4.47Å; L1361-L1410 HydrophobicContact CD2-CD2 3.9Å; L1361-F1420 HydrophobicContact CB-CD1 4.47Å; L1361-F1420 HydrophobicContact CB-CE1 4Å; L1361-F1420 HydrophobicContact CD1-CE1 3.91Å; L1361-F1420 HydrophobicContact CG-CE1 4.39Å
1362H88Confident86.2Confident50.2 Ų50.239 Ų3923%0.23218%0.181CC..Hα-helixtrans-60.4-46.4173.8178.7-142.6000111.6W1314 I1358 Q1359 C1360 V1364 Q1365 R1366 D2059W1314-H1362 AromaticContact CD1-CD2 3.42Å; W1314-H1362 VanDerWaalsContact CD1-CD2 3.42Å; W1314-H1362 AromaticContact CD1-NE2 3.76Å; W1314-H1362 HydrophobicContact CD2-CB 3.82Å; W1314-H1362 AromaticContact CD2-CD2 3.7Å; W1314-H1362 AromaticContact CD2-CG 3.88Å; W1314-H1362 AromaticContact CE2-CD2 3.7Å; W1314-H1362 HydrophobicContact CE3-CB 3.77Å; W1314-H1362 HydrophobicContact CG-CB 4.4Å; W1314-H1362 AromaticContact CG-CD2 3.52Å; W1314-H1362 VanDerWaalsContact CG-CD2 3.41Å; W1314-H1362 AromaticContact CG-CG 3.92Å; W1314-H1362 AromaticContact CG-NE2 3.88Å; W1314-H1362 HydrophobicContact CH2-CB 4.29Å; W1314-H1362 HydrophobicContact CZ2-CB 4.31Å; W1314-H1362 HydrophobicContact CZ3-CB 4.02Å; W1314-H1362 AromaticContact NE1-CD2 3.55Å; W1314-H1362 PolarHBondContact NE1-CD2 3.36Å; I1358-H1362 VanDerWaalsContact O-CB 3.28Å; I1358-H1362 WeakPolarHBondContact O-CB 3.32Å; I1358-H1362 PolarHBondContact O-N 3.06Å; Q1359-H1362 WeakPolarHBondContact O-CB 3.5Å; Q1359-H1362 PolarHBondContact O-N 3.24Å; C1360-H1362 VanDerWaalsContact C-N 3.34Å; H1362-V1364 PolarHBondContact O-N 3Å; H1362-Q1365 PolarHBondContact O-N 3.08Å; H1362-R1366 VanDerWaalsContact NE2-CD 3.28Å; H1362-R1366 WeakPolarHBondContact NE2-CD 3.37Å; H1362-R1366 WeakPolarHBondContact O-CB 3.41Å; H1362-R1366 VanDerWaalsContact O-CG 3.29Å; H1362-R1366 WeakPolarHBondContact O-CG 3.3Å; H1362-R1366 PolarHBondContact O-N 3.14Å; H1362-D2059 IonicContact CD2-OD1 3.2Å; H1362-D2059 IonicContact CE1-OD1 3.25Å; H1362-D2059 IonicContact NE2-OD1 2.79Å; H1362-D2059 PolarHBondContact NE2-OD1 2.89Å; H1362-D2059 IonicContact NE2-OD2 2.66Å
1363E86.3Confident85.3Confident56.8 Ų56.837.5 Ų37.527%0.26517%0.173SC..Hα-helixtrans-62.1-44.1175.2-137.7-175-165.900112.4Q1359 C1360 R1366 R1367 R1424Q1359-E1363 WeakPolarHBondContact O-CB 3.46Å; Q1359-E1363 WeakPolarHBondContact O-CG 3.41Å; Q1359-E1363 PolarHBondContact O-N 3.14Å; Q1359-E1363 VanDerWaalsContact O-N 3.1Å; C1360-E1363 PolarHBondContact O-N 3.22Å; E1363-R1366 PolarHBondContact O-N 3.12Å; E1363-R1367 WeakPolarHBondContact O-CB 3.34Å; E1363-R1367 WeakPolarHBondContact O-CG 3.35Å; E1363-R1367 PolarHBondContact O-N 3.15Å; E1363-R1367 VanDerWaalsContact O-N 3.11Å; E1363-R1367 IonicContact OE1-CZ 3.54Å; E1363-R1367 VanDerWaalsContact OE1-CZ 3.28Å; E1363-R1367 IonicContact OE1-NE 3.54Å; E1363-R1367 PolarHBondContact OE1-NE 3.45Å; E1363-R1367 IonicContact OE1-NH1 3.12Å; E1363-R1367 PolarHBondContact OE1-NH1 3.36Å; E1363-R1367 VanDerWaalsContact OE1-NH1 3.14Å; E1363-R1367 IonicContact OE1-NH2 3.43Å; E1363-R1367 PolarHBondContact OE1-NH2 3.19Å; E1363-R1367 IonicContact OE2-CZ 2.69Å; E1363-R1367 IonicContact OE2-NH1 3.07Å; E1363-R1367 PolarHBondContact OE2-NH1 3.14Å; E1363-R1367 IonicContact OE2-NH2 2.89Å; E1363-R1367 PolarHBondContact OE2-NH2 3.29Å; E1363-R1424 WeakPolarHBondContact OE2-CD 3.34Å; E1363-R1424 IonicContact OE2-NH1 2.66Å
1364V89.1Confident84.5Confident0.2 Ų0.236.8 Ų36.80%0.00117%0.169CC..Hα-helixtrans-62.3-49.1177.4165.90000110.5C1360 L1361 H1362 R1366 R1367 W1368 F1394 M1423 R1424 L1427C1360-V1364 WeakPolarHBondContact O-CB 3.37Å; C1360-V1364 VanDerWaalsContact O-CG2 3.25Å; C1360-V1364 WeakPolarHBondContact O-CG2 3.32Å; C1360-V1364 PolarHBondContact O-N 3.12Å; L1361-V1364 PolarHBondContact O-N 3.25Å; H1362-V1364 PolarHBondContact O-N 3Å; V1364-R1366 VanDerWaalsContact C-N 3.35Å; V1364-R1366 PolarHBondContact O-N 3.07Å; V1364-R1367 PolarHBondContact O-N 3.18Å; V1364-W1368 VanDerWaalsContact O-CB 3.24Å; V1364-W1368 WeakPolarHBondContact O-CB 3.42Å; V1364-W1368 PolarHBondContact O-N 3.3Å; V1364-F1394 HydrophobicContact CG1-CD2 3.66Å; V1364-F1394 HydrophobicContact CG1-CE2 4.09Å; V1364-F1394 HydrophobicContact CG1-CG 4.38Å; V1364-M1423 HydrophobicContact CG1-CB 4.33Å; V1364-M1423 HydrophobicContact CG1-CE 4.06Å; V1364-M1423 HydrophobicContact CG1-SD 4.44Å; V1364-M1423 HydrophobicContact CG2-CB 4.17Å; V1364-R1424 HydrophobicContact CG2-CB 4.11Å; V1364-L1427 HydrophobicContact CB-CD1 4.2Å; V1364-L1427 HydrophobicContact CG1-CD1 3.77Å; V1364-L1427 HydrophobicContact CG2-CD1 4.29Å; V1364-L1427 WeakPolarHBondContact O-CD1 3.38Å
1365Q87.4Confident83.8Confident10.6 Ų10.636.9 Ų36.95%0.0517%0.169CC..Hα-helixtrans-59.4-47.2178.1-178.5179-77.700110.7V1310 I1311 W1314 L1361 H1362 R1367 W1368 V1369 F1394V1310-Q1365 VanDerWaalsContact CG1-CD 3.44Å; V1310-Q1365 HydrophobicContact CG1-CG 4.15Å; V1310-Q1365 VanDerWaalsContact CG1-NE2 3.28Å; I1311-Q1365 VanDerWaalsContact N-OE1 3.13Å; I1311-Q1365 PolarHBondContact O-NE2 3.21Å; W1314-Q1365 HydrophobicContact CZ2-CB 4.36Å; W1314-Q1365 VanDerWaalsContact NE1-NE2 3.1Å; L1361-Q1365 WeakPolarHBondContact O-CB 3.4Å; L1361-Q1365 PolarHBondContact O-N 3.24Å; H1362-Q1365 PolarHBondContact O-N 3.08Å; Q1365-R1367 VanDerWaalsContact C-N 3.29Å; Q1365-R1367 PolarHBondContact O-N 3.21Å; Q1365-W1368 PolarHBondContact O-N 3.08Å; Q1365-V1369 HydrophobicContact CG-CG2 4.2Å; Q1365-V1369 WeakPolarHBondContact O-CB 3.37Å; Q1365-V1369 VanDerWaalsContact O-CG2 3.26Å; Q1365-V1369 WeakPolarHBondContact O-CG2 3.38Å; Q1365-V1369 PolarHBondContact O-N 3.22Å; Q1365-F1394 HydrophobicContact CB-CE2 4.02Å; Q1365-F1394 HydrophobicContact CB-CZ 3.86Å; Q1365-F1394 HydrophobicContact CG-CE2 4.48Å; Q1365-F1394 HydrophobicContact CG-CZ 3.92Å
1366R82.5Confident82.8Confident153.6 Ų153.639 Ų3958%0.5819%0.186SC*.Hα-helixtrans-59.7-44.9179.5-135.2-178.670.2-173.51.9112.2H1362 E1363 V1364 Y1370 P2058H1362-R1366 VanDerWaalsContact NE2-CD 3.28Å; H1362-R1366 WeakPolarHBondContact NE2-CD 3.37Å; H1362-R1366 WeakPolarHBondContact O-CB 3.41Å; H1362-R1366 VanDerWaalsContact O-CG 3.29Å; H1362-R1366 WeakPolarHBondContact O-CG 3.3Å; H1362-R1366 PolarHBondContact O-N 3.14Å; E1363-R1366 PolarHBondContact O-N 3.12Å; V1364-R1366 VanDerWaalsContact C-N 3.35Å; V1364-R1366 PolarHBondContact O-N 3.07Å; R1366-Y1370 WeakPolarHBondContact O-CB 3.35Å; R1366-Y1370 PolarHBondContact O-N 3.1Å; R1366-P2058 PolarHBondContact NE-O 3.4Å
1367R83.5Confident81.7Confident46.8 Ų46.839.2 Ų39.218%0.17719%0.185CC..Hα-helixtrans-69.6-39.9176.6-72.7-175.3-177.9137.78.3111.9E1363 V1364 Q1365 Y1370 L1371 R1424 L1427E1363-R1367 WeakPolarHBondContact O-CB 3.34Å; E1363-R1367 WeakPolarHBondContact O-CG 3.35Å; E1363-R1367 PolarHBondContact O-N 3.15Å; E1363-R1367 VanDerWaalsContact O-N 3.11Å; E1363-R1367 IonicContact OE1-CZ 3.54Å; E1363-R1367 VanDerWaalsContact OE1-CZ 3.28Å; E1363-R1367 IonicContact OE1-NE 3.54Å; E1363-R1367 PolarHBondContact OE1-NE 3.45Å; E1363-R1367 IonicContact OE1-NH1 3.12Å; E1363-R1367 PolarHBondContact OE1-NH1 3.36Å; E1363-R1367 VanDerWaalsContact OE1-NH1 3.14Å; E1363-R1367 IonicContact OE1-NH2 3.43Å; E1363-R1367 PolarHBondContact OE1-NH2 3.19Å; E1363-R1367 IonicContact OE2-CZ 2.69Å; E1363-R1367 IonicContact OE2-NH1 3.07Å; E1363-R1367 PolarHBondContact OE2-NH1 3.14Å; E1363-R1367 IonicContact OE2-NH2 2.89Å; E1363-R1367 PolarHBondContact OE2-NH2 3.29Å; V1364-R1367 PolarHBondContact O-N 3.18Å; Q1365-R1367 VanDerWaalsContact C-N 3.29Å; Q1365-R1367 PolarHBondContact O-N 3.21Å; R1367-Y1370 WeakPolarHBondContact O-CB 3.49Å; R1367-Y1370 PolarHBondContact O-N 3.19Å; R1367-L1371 VanDerWaalsContact O-CB 3.22Å; R1367-L1371 WeakPolarHBondContact O-CB 3.36Å; R1367-L1371 VanDerWaalsContact O-CG 3.28Å; R1367-L1371 WeakPolarHBondContact O-CG 3.35Å; R1367-L1371 PolarHBondContact O-N 3.08Å; R1367-R1424 PolarHBondContact NH1-O 3.42Å; R1367-L1427 HydrophobicContact CB-CB 4.26Å; R1367-L1427 HydrophobicContact CB-CD1 4.16Å
1368W86.9Confident80.5Confident10.4 Ų10.440.1 Ų40.14%0.03920%0.202CC..Hα-helixtrans-65.8-45179.8179.390.2000111.6P1308 V1364 Q1365 Y1370 L1371 E1372 F1387 D1391 F1394 R1395 L1427P1308-W1368 HydrophobicContact CG-CH2 4.13Å; V1364-W1368 VanDerWaalsContact O-CB 3.24Å; V1364-W1368 WeakPolarHBondContact O-CB 3.42Å; V1364-W1368 PolarHBondContact O-N 3.3Å; Q1365-W1368 PolarHBondContact O-N 3.08Å; W1368-Y1370 PolarHBondContact O-N 3.08Å; W1368-L1371 PolarHBondContact O-N 3.1Å; W1368-L1371 VanDerWaalsContact O-N 3.13Å; W1368-E1372 HydrophobicContact CD2-CB 4.27Å; W1368-E1372 HydrophobicContact CE3-CB 4.49Å; W1368-E1372 HydrophobicContact CH2-CB 4.41Å; W1368-E1372 VanDerWaalsContact CH2-CD 3.46Å; W1368-E1372 HydrophobicContact CH2-CG 4.15Å; W1368-E1372 WeakPolarHBondContact CH2-OE2 3.39Å; W1368-E1372 HydrophobicContact CZ2-CB 4.16Å; W1368-E1372 HydrophobicContact CZ2-CG 3.77Å; W1368-E1372 VanDerWaalsContact O-CB 3.28Å; W1368-E1372 WeakPolarHBondContact O-CB 3.41Å; W1368-E1372 PolarHBondContact O-N 3.34Å; W1368-F1387 AromaticContact CD1-CE2 3.92Å; W1368-F1387 AromaticContact CD1-CZ 3.6Å; W1368-F1387 HydrophobicContact CG-CZ 4.41Å; W1368-F1387 AromaticContact NE1-CZ 3.69Å; W1368-D1391 VanDerWaalsContact CE2-OD1 3.26Å; W1368-D1391 VanDerWaalsContact CZ2-OD1 3.26Å; W1368-D1391 WeakPolarHBondContact CZ2-OD1 3.4Å; W1368-D1391 PolarHBondContact NE1-OD1 3.17Å; W1368-F1394 HydrophobicContact CB-CD1 4.47Å; W1368-F1394 HydrophobicContact CB-CE1 4.47Å; W1368-F1394 AromaticContact CD1-CD1 3.95Å; W1368-F1394 AromaticContact CD2-CD1 3.62Å; W1368-F1394 HydrophobicContact CD2-CD1 3.62Å; W1368-F1394 AromaticContact CD2-CE1 3.66Å; W1368-F1394 HydrophobicContact CD2-CE1 3.66Å; W1368-F1394 HydrophobicContact CD2-CG 4.42Å; W1368-F1394 AromaticContact CE2-CD1 3.74Å; W1368-F1394 AromaticContact CE3-CD1 3.88Å; W1368-F1394 HydrophobicContact CE3-CD1 4.03Å; W1368-F1394 AromaticContact CE3-CE1 3.57Å; W1368-F1394 HydrophobicContact CE3-CE1 3.57Å; W1368-F1394 VanDerWaalsContact CE3-CE1 3.46Å; W1368-F1394 HydrophobicContact CE3-CZ 4.43Å; W1368-F1394 AromaticContact CG-CD1 3.87Å; W1368-F1394 HydrophobicContact CG-CD1 3.87Å; W1368-F1394 AromaticContact CG-CE1 4Å; W1368-F1394 HydrophobicContact CG-CE1 4.14Å; W1368-F1394 HydrophobicContact CG-CG 4.4Å; W1368-F1394 HydrophobicContact CH2-CD1 4.39Å; W1368-F1394 HydrophobicContact CH2-CE1 4.42Å; W1368-F1394 HydrophobicContact CZ2-CD1 4.23Å; W1368-F1394 HydrophobicContact CZ2-CE1 4.44Å; W1368-F1394 HydrophobicContact CZ3-CD1 4.31Å; W1368-F1394 AromaticContact CZ3-CE1 3.81Å; W1368-F1394 HydrophobicContact CZ3-CE1 3.99Å; W1368-F1394 AromaticContact NE1-CD1 3.96Å; W1368-R1395 HydrophobicContact CZ2-CG 4.49Å; W1368-L1427 HydrophobicContact CB-CD1 4.4Å; W1368-L1427 HydrophobicContact CB-CD2 4.39Å
1369V80.4Confident79.3Confident61 Ų6141.9 Ų41.937%0.3721%0.213SC..Hα-helixtrans-58.8-35.9175.4170.40000111.4V1310 Q1365 P1373 T2060 R2061V1310-V1369 HydrophobicContact CG1-CG2 4.42Å; Q1365-V1369 HydrophobicContact CG-CG2 4.2Å; Q1365-V1369 WeakPolarHBondContact O-CB 3.37Å; Q1365-V1369 VanDerWaalsContact O-CG2 3.26Å; Q1365-V1369 WeakPolarHBondContact O-CG2 3.38Å; Q1365-V1369 PolarHBondContact O-N 3.22Å; V1369-P1373 WeakPolarHBondContact O-CD 3.24Å; V1369-T2060 WeakPolarHBondContact CG1-O 3.4Å; V1369-R2061 HydrophobicContact CG1-CB 4.43Å
1370Y74.9Confident78.4Confident58.8 Ų58.838.6 Ų38.623%0.23120%0.198CC..Hα-helixtrans-71.7-42175.4177.7-107.1000112.9R1366 R1367 W1368 I1374 Q1431 L1434 D1459 L1462R1366-Y1370 WeakPolarHBondContact O-CB 3.35Å; R1366-Y1370 PolarHBondContact O-N 3.1Å; R1367-Y1370 WeakPolarHBondContact O-CB 3.49Å; R1367-Y1370 PolarHBondContact O-N 3.19Å; W1368-Y1370 PolarHBondContact O-N 3.08Å; Y1370-I1374 HydrophobicContact CD1-CD1 4.29Å; Y1370-I1374 HydrophobicContact CD2-CD1 4.42Å; Y1370-I1374 HydrophobicContact CE1-CD1 4.13Å; Y1370-I1374 HydrophobicContact CE2-CD1 4.01Å; Y1370-I1374 HydrophobicContact CG-CD1 4.45Å; Y1370-I1374 VanDerWaalsContact O-CD1 3.26Å; Y1370-I1374 WeakPolarHBondContact O-CD1 3.34Å; Y1370-I1374 WeakPolarHBondContact O-CG1 3.37Å; Y1370-Q1431 HydrophobicContact CE1-CG 4.4Å; Y1370-L1434 HydrophobicContact CE1-CD2 3.96Å; Y1370-D1459 WeakPolarHBondContact CE2-OD1 3.38Å; Y1370-D1459 VanDerWaalsContact CZ-OD1 3.3Å; Y1370-D1459 VanDerWaalsContact OH-CA 3.31Å; Y1370-D1459 WeakPolarHBondContact OH-CA 3.43Å; Y1370-D1459 PolarHBondContact OH-O 3.07Å; Y1370-D1459 PolarHBondContact OH-OD1 3.11Å; Y1370-L1462 HydrophobicContact CE1-CD1 4.37Å; Y1370-L1462 WeakPolarHBondContact OH-CB 3.14Å; Y1370-L1462 VanDerWaalsContact OH-CD1 3.27Å; Y1370-L1462 WeakPolarHBondContact OH-CD1 3.26Å
1371L79.9Confident77.4Confident0.6 Ų0.643.1 Ų43.10%0.00323%0.227CC..Hα-helixtrans-86-30.6-172.8-68.5179.4000113.8R1367 W1368 I1374 F1375 F1387 L1427 C1430 Q1431 L1434R1367-L1371 VanDerWaalsContact O-CB 3.22Å; R1367-L1371 WeakPolarHBondContact O-CB 3.36Å; R1367-L1371 VanDerWaalsContact O-CG 3.28Å; R1367-L1371 WeakPolarHBondContact O-CG 3.35Å; R1367-L1371 PolarHBondContact O-N 3.08Å; W1368-L1371 PolarHBondContact O-N 3.1Å; W1368-L1371 VanDerWaalsContact O-N 3.13Å; L1371-I1374 HydrophobicContact CD2-CD1 4.49Å; L1371-I1374 PolarHBondContact O-N 3.19Å; L1371-I1374 VanDerWaalsContact O-N 3.13Å; L1371-F1375 HydrophobicContact CB-CD2 4.02Å; L1371-F1375 HydrophobicContact CB-CE2 4.41Å; L1371-F1375 HydrophobicContact CD1-CE2 4.33Å; L1371-F1375 HydrophobicContact CD2-CD2 4.32Å; L1371-F1375 HydrophobicContact CD2-CE2 4.02Å; L1371-F1375 HydrophobicContact CG-CD2 4.49Å; L1371-F1375 HydrophobicContact CG-CE2 4.43Å; L1371-F1375 WeakPolarHBondContact O-CB 3.28Å; L1371-F1375 WeakPolarHBondContact O-CD2 3.41Å; L1371-F1375 PolarHBondContact O-N 3.17Å; L1371-F1387 HydrophobicContact CB-CD2 4.23Å; L1371-F1387 HydrophobicContact CB-CE2 3.64Å; L1371-F1387 HydrophobicContact CB-CZ 4.36Å; L1371-F1387 HydrophobicContact CD1-CE2 4.46Å; L1371-L1427 HydrophobicContact CD1-CB 4.42Å; L1371-L1427 HydrophobicContact CD1-CD2 3.86Å; L1371-C1430 HydrophobicContact CD1-CB 4.09Å; L1371-Q1431 HydrophobicContact CD1-CB 4.34Å; L1371-Q1431 HydrophobicContact CD2-CB 4.42Å; L1371-L1434 HydrophobicContact CD2-CD2 3.7Å
1372E79.4Confident76.6Confident43.4 Ų43.451.9 Ų51.920%0.20327%0.266CS..Hα-helixtrans-56.6-47.4-176.1-171.8-105.4-163.600113W1368 I1374 F1375 S1376 F1387 R1395W1368-E1372 HydrophobicContact CD2-CB 4.27Å; W1368-E1372 HydrophobicContact CE3-CB 4.49Å; W1368-E1372 HydrophobicContact CH2-CB 4.41Å; W1368-E1372 VanDerWaalsContact CH2-CD 3.46Å; W1368-E1372 HydrophobicContact CH2-CG 4.15Å; W1368-E1372 WeakPolarHBondContact CH2-OE2 3.39Å; W1368-E1372 HydrophobicContact CZ2-CB 4.16Å; W1368-E1372 HydrophobicContact CZ2-CG 3.77Å; W1368-E1372 VanDerWaalsContact O-CB 3.28Å; W1368-E1372 WeakPolarHBondContact O-CB 3.41Å; W1368-E1372 PolarHBondContact O-N 3.34Å; E1372-I1374 VanDerWaalsContact C-N 3.29Å; E1372-I1374 PolarHBondContact O-N 3.15Å; E1372-F1375 PolarHBondContact O-N 3.32Å; E1372-S1376 WeakPolarHBondContact O-CB 3.41Å; E1372-S1376 PolarHBondContact O-N 2.93Å; E1372-S1376 PolarHBondContact O-OG 3.09Å; E1372-F1387 VanDerWaalsContact CA-CZ 3.45Å; E1372-F1387 HydrophobicContact CB-CE1 4.26Å; E1372-F1387 HydrophobicContact CB-CZ 3.8Å; E1372-F1387 HydrophobicContact CG-CE1 4.27Å; E1372-F1387 HydrophobicContact CG-CZ 4.22Å; E1372-R1395 IonicContact OE1-CZ 3.44Å; E1372-R1395 IonicContact OE1-NH2 3.33Å; E1372-R1395 PolarHBondContact OE1-NH2 3.18Å
1373P71.8Confident75.9Confident36.6 Ų36.650.7 Ų50.724%0.23826%0.261CS..Hα-helixtrans-66.3-28.8179.3-21.734.2000113V1369 S1376 K1377 Q1467V1369-P1373 WeakPolarHBondContact O-CD 3.24Å; P1373-S1376 WeakPolarHBondContact CA-OG 3.43Å; P1373-S1376 PolarHBondContact O-OG 3.04Å; P1373-K1377 WeakPolarHBondContact O-CD 3.41Å; P1373-K1377 VanDerWaalsContact O-CE 3.29Å; P1373-K1377 WeakPolarHBondContact O-CE 3.27Å; P1373-K1377 WeakPolarHBondContact O-CG 3.28Å; P1373-Q1467 HydrophobicContact CB-CG 3.7Å; P1373-Q1467 HydrophobicContact CG-CG 4.22Å; P1373-Q1467 VanDerWaalsContact CG-NE2 3.26Å
1374I71.2Confident75.5Confident11.6 Ų11.651.8 Ų51.86%0.05926%0.263CS..Hα-helixtrans-78.1-46.5-177.8-59.4169.2000110Y1370 L1371 E1372 V1379 L1434 L1462Y1370-I1374 HydrophobicContact CD1-CD1 4.29Å; Y1370-I1374 HydrophobicContact CD2-CD1 4.42Å; Y1370-I1374 HydrophobicContact CE1-CD1 4.13Å; Y1370-I1374 HydrophobicContact CE2-CD1 4.01Å; Y1370-I1374 HydrophobicContact CG-CD1 4.45Å; Y1370-I1374 VanDerWaalsContact O-CD1 3.26Å; Y1370-I1374 WeakPolarHBondContact O-CD1 3.34Å; Y1370-I1374 WeakPolarHBondContact O-CG1 3.37Å; L1371-I1374 HydrophobicContact CD2-CD1 4.49Å; L1371-I1374 PolarHBondContact O-N 3.19Å; L1371-I1374 VanDerWaalsContact O-N 3.13Å; E1372-I1374 VanDerWaalsContact C-N 3.29Å; E1372-I1374 PolarHBondContact O-N 3.15Å; I1374-V1379 HydrophobicContact CG2-CB 4.38Å; I1374-V1379 HydrophobicContact CG2-CG2 4.4Å; I1374-V1379 WeakPolarHBondContact O-CG2 3.41Å; I1374-L1434 HydrophobicContact CD1-CD2 3.85Å; I1374-L1434 HydrophobicContact CG2-CD1 3.83Å; I1374-L1434 HydrophobicContact CG2-CD2 4.27Å; I1374-L1462 HydrophobicContact CD1-CB 3.96Å; I1374-L1462 HydrophobicContact CD1-CD1 3.68Å; I1374-L1462 HydrophobicContact CD1-CD2 4.19Å; I1374-L1462 HydrophobicContact CD1-CG 4.28Å; I1374-L1462 HydrophobicContact CG1-CB 4.45Å; I1374-L1462 HydrophobicContact CG1-CD1 4Å; I1374-L1462 HydrophobicContact CG1-CD2 4.45Å; I1374-L1462 HydrophobicContact CG2-CD1 4.41Å; I1374-L1462 HydrophobicContact CG2-CD2 4.13Å
1375F74.8Confident75.2Confident1.8 Ų1.854.8 Ų54.81%0.00828%0.284CS..Hα-helixtrans-77.2-35.1-176.9-88.8-81.8000112.1L1371 E1372 K1377 G1378 L1380 D1383 W1384 F1387 C1430L1371-F1375 HydrophobicContact CB-CD2 4.02Å; L1371-F1375 HydrophobicContact CB-CE2 4.41Å; L1371-F1375 HydrophobicContact CD1-CE2 4.33Å; L1371-F1375 HydrophobicContact CD2-CD2 4.32Å; L1371-F1375 HydrophobicContact CD2-CE2 4.02Å; L1371-F1375 HydrophobicContact CG-CD2 4.49Å; L1371-F1375 HydrophobicContact CG-CE2 4.43Å; L1371-F1375 WeakPolarHBondContact O-CB 3.28Å; L1371-F1375 WeakPolarHBondContact O-CD2 3.41Å; L1371-F1375 PolarHBondContact O-N 3.17Å; E1372-F1375 PolarHBondContact O-N 3.32Å; F1375-K1377 VanDerWaalsContact C-N 3.26Å; F1375-K1377 PolarHBondContact O-N 3.03Å; F1375-K1377 VanDerWaalsContact O-N 3.11Å; F1375-G1378 PolarHBondContact O-N 3.3Å; F1375-L1380 HydrophobicContact CD1-CB 4.28Å; F1375-L1380 HydrophobicContact CE1-CB 3.77Å; F1375-L1380 HydrophobicContact CE1-CD1 4.17Å; F1375-L1380 HydrophobicContact CE1-CG 4.47Å; F1375-L1380 HydrophobicContact CE2-CD1 4.42Å; F1375-L1380 HydrophobicContact CZ-CB 4.32Å; F1375-L1380 HydrophobicContact CZ-CD1 4.02Å; F1375-D1383 HydrophobicContact CE1-CB 4.05Å; F1375-D1383 HydrophobicContact CZ-CB 4.35Å; F1375-W1384 HydrophobicContact CB-CE3 3.67Å; F1375-W1384 HydrophobicContact CB-CZ3 3.61Å; F1375-W1384 VanDerWaalsContact CB-CZ3 3.48Å; F1375-W1384 AromaticContact CD1-CE3 3.93Å; F1375-W1384 HydrophobicContact CD1-CE3 4.13Å; F1375-W1384 HydrophobicContact CG-CE3 4.34Å; F1375-W1384 VanDerWaalsContact O-CE3 3.25Å; F1375-W1384 VanDerWaalsContact O-CZ3 3.25Å; F1375-W1384 WeakPolarHBondContact O-CZ3 3.37Å; F1375-F1387 HydrophobicContact CB-CB 4.4Å; F1375-F1387 HydrophobicContact CB-CD1 3.83Å; F1375-F1387 HydrophobicContact CB-CD2 4.36Å; F1375-F1387 HydrophobicContact CB-CE1 4.2Å; F1375-F1387 HydrophobicContact CB-CG 4.03Å; F1375-F1387 HydrophobicContact CD1-CB 4.15Å; F1375-F1387 HydrophobicContact CD1-CG 4.37Å; F1375-F1387 HydrophobicContact CD2-CD2 4.21Å; F1375-F1387 HydrophobicContact CD2-CG 4.31Å; F1375-F1387 HydrophobicContact CE1-CB 4.39Å; F1375-F1387 HydrophobicContact CG-CB 4.21Å; F1375-F1387 HydrophobicContact CG-CD1 4.34Å; F1375-F1387 HydrophobicContact CG-CD2 4.39Å; F1375-F1387 AromaticContact CG-CG 3.87Å; F1375-F1387 HydrophobicContact CG-CG 4.04Å; F1375-C1430 HydrophobicContact CE2-CB 4.13Å; F1375-C1430 HydrophobicContact CZ-CB 4.02Å
1376S69.4Low75Confident64 Ų6459.7 Ų59.745%0.44830%0.302SS..Hα-helixtrans-60.6-27.2176.459.80000113.4E1372 P1373 G1378E1372-S1376 WeakPolarHBondContact O-CB 3.41Å; E1372-S1376 PolarHBondContact O-N 2.93Å; E1372-S1376 PolarHBondContact O-OG 3.09Å; P1373-S1376 WeakPolarHBondContact CA-OG 3.43Å; P1373-S1376 PolarHBondContact O-OG 3.04Å; S1376-G1378 VanDerWaalsContact C-N 3.27Å; S1376-G1378 PolarHBondContact O-N 3.12Å
1377K65.7Low75.2Confident92.4 Ų92.452.5 Ų52.540%0.40227%0.274SS..THydrogen-bonded Turntrans-81.11.4174.3-68.8-176.7179.6-172.40114.3P1373 F1375 V1379 G1466 D1469P1373-K1377 WeakPolarHBondContact O-CD 3.41Å; P1373-K1377 VanDerWaalsContact O-CE 3.29Å; P1373-K1377 WeakPolarHBondContact O-CE 3.27Å; P1373-K1377 WeakPolarHBondContact O-CG 3.28Å; F1375-K1377 VanDerWaalsContact C-N 3.26Å; F1375-K1377 PolarHBondContact O-N 3.03Å; F1375-K1377 VanDerWaalsContact O-N 3.11Å; K1377-V1379 HydrophobicContact CB-CG2 4.28Å; K1377-G1466 VanDerWaalsContact CD-O 3.3Å; K1377-G1466 WeakPolarHBondContact CD-O 3.35Å; K1377-G1466 WeakPolarHBondContact CE-O 3.39Å; K1377-G1466 PolarHBondContact NZ-O 3.07Å; K1377-D1469 IonicContact NZ-OD1 3.35Å; K1377-D1469 PolarHBondContact NZ-OD1 3.38Å; K1377-D1469 IonicContact NZ-OD2 3.25Å; K1377-D1469 PolarHBondContact NZ-OD2 2.94Å
1378G64.4Low75.2Confident44.4 Ų44.455 Ų5546%0.45829%0.288SS..THydrogen-bonded Turntrans80.318.4171.700000115.8F1375 S1376 L1380F1375-G1378 PolarHBondContact O-N 3.3Å; S1376-G1378 VanDerWaalsContact C-N 3.27Å; S1376-G1378 PolarHBondContact O-N 3.12Å; G1378-L1380 VanDerWaalsContact C-N 3.27Å; G1378-L1380 PolarHBondContact O-N 3.21Å; G1378-L1380 VanDerWaalsContact O-N 3.09Å
1379V63.4Low75.2Confident38.6 Ų38.661.6 Ų61.623%0.23432%0.317CS..SBendtrans-65.1-17.7-178-1750000112.1I1374 K1377 Y1437 L1462I1374-V1379 HydrophobicContact CG2-CB 4.38Å; I1374-V1379 HydrophobicContact CG2-CG2 4.4Å; I1374-V1379 WeakPolarHBondContact O-CG2 3.41Å; K1377-V1379 HydrophobicContact CB-CG2 4.28Å; V1379-Y1437 HydrophobicContact CG1-CD1 4.16Å; V1379-Y1437 HydrophobicContact CG1-CE1 3.5Å; V1379-Y1437 VanDerWaalsContact CG1-CE1 3.43Å; V1379-L1462 HydrophobicContact CG1-CD2 4.4Å
1380L69.6Low75.6Confident17.4 Ų17.458.8 Ų58.89%0.09130%0.3CS..  trans-141.581.9-175.9-81.5138.4000113F1375 G1378 K1382 D1383 W1384 L1434 Y1437F1375-L1380 HydrophobicContact CD1-CB 4.28Å; F1375-L1380 HydrophobicContact CE1-CB 3.77Å; F1375-L1380 HydrophobicContact CE1-CD1 4.17Å; F1375-L1380 HydrophobicContact CE1-CG 4.47Å; F1375-L1380 HydrophobicContact CE2-CD1 4.42Å; F1375-L1380 HydrophobicContact CZ-CB 4.32Å; F1375-L1380 HydrophobicContact CZ-CD1 4.02Å; G1378-L1380 VanDerWaalsContact C-N 3.27Å; G1378-L1380 PolarHBondContact O-N 3.21Å; G1378-L1380 VanDerWaalsContact O-N 3.09Å; L1380-K1382 VanDerWaalsContact C-N 3.3Å; L1380-K1382 PolarHBondContact O-N 3.22Å; L1380-K1382 VanDerWaalsContact O-N 3.13Å; L1380-D1383 HydrophobicContact CB-CB 4.49Å; L1380-D1383 PolarHBondContact O-N 3.42Å; L1380-W1384 WeakPolarHBondContact O-CB 3.31Å; L1380-W1384 PolarHBondContact O-N 3.27Å; L1380-W1384 VanDerWaalsContact O-N 3.12Å; L1380-L1434 HydrophobicContact CD1-CB 4.29Å; L1380-L1434 HydrophobicContact CD1-CD1 3.64Å; L1380-Y1437 HydrophobicContact CD1-CD1 4.32Å; L1380-Y1437 HydrophobicContact CD1-CG 4.24Å; L1380-Y1437 HydrophobicContact CD2-CD1 4.28Å; L1380-Y1437 HydrophobicContact CD2-CD2 3.95Å; L1380-Y1437 HydrophobicContact CD2-CE2 4.27Å; L1380-Y1437 HydrophobicContact CD2-CG 4.03Å; L1380-Y1437 HydrophobicContact CG-CD1 4.19Å; L1380-Y1437 HydrophobicContact CG-CD2 4.3Å; L1380-Y1437 HydrophobicContact CG-CG 4.17Å
1381P66.9Low76.2Confident105.4 Ų105.457.4 Ų57.468%0.68430%0.296SS*.Hα-helixtrans-61-30.9-177.7-2332.2000114.2
1382K72.3Confident76.5Confident185.4 Ų185.463.6 Ų63.681%0.80633%0.325SS*.Hα-helixtrans-70.2-41.5-177.2-68.1-174.9178.2-178.80112.4L1380 S1385L1380-K1382 VanDerWaalsContact C-N 3.3Å; L1380-K1382 PolarHBondContact O-N 3.22Å; L1380-K1382 VanDerWaalsContact O-N 3.13Å; K1382-S1385 PolarHBondContact O-OG 3.22Å
1383D75Confident76.9Confident24.2 Ų24.264.3 Ų64.313%0.12933%0.33CS..Hα-helixtrans-94.7-9.8-178.3-65.3-71.5000112.9F1375 L1380 S1385 R1386 F1387 A1433F1375-D1383 HydrophobicContact CE1-CB 4.05Å; F1375-D1383 HydrophobicContact CZ-CB 4.35Å; L1380-D1383 HydrophobicContact CB-CB 4.49Å; L1380-D1383 PolarHBondContact O-N 3.42Å; D1383-S1385 VanDerWaalsContact C-N 3.26Å; D1383-S1385 PolarHBondContact O-N 3.01Å; D1383-R1386 WeakPolarHBondContact O-CA 3.45Å; D1383-R1386 WeakPolarHBondContact O-CB 3.37Å; D1383-R1386 PolarHBondContact O-N 2.99Å; D1383-R1386 IonicContact OD1-CZ 3.37Å; D1383-R1386 IonicContact OD1-NE 3.34Å; D1383-R1386 IonicContact OD1-NH1 3.27Å; D1383-R1386 PolarHBondContact OD1-NH1 3.2Å; D1383-F1387 PolarHBondContact O-N 3.16Å; D1383-F1387 VanDerWaalsContact O-N 3.12Å; D1383-A1433 HydrophobicContact CB-CB 4.46Å; D1383-A1433 WeakPolarHBondContact OD2-CB 3.45Å
1384W77.6Confident77.7Confident81.6 Ų81.662.6 Ų62.631%0.30932%0.319SS..Hα-helixtrans-52.1-42173.1176.6-117.3000112.5F1375 L1380 R1386 F1387 Q1388F1375-W1384 HydrophobicContact CB-CE3 3.67Å; F1375-W1384 HydrophobicContact CB-CZ3 3.61Å; F1375-W1384 VanDerWaalsContact CB-CZ3 3.48Å; F1375-W1384 AromaticContact CD1-CE3 3.93Å; F1375-W1384 HydrophobicContact CD1-CE3 4.13Å; F1375-W1384 HydrophobicContact CG-CE3 4.34Å; F1375-W1384 VanDerWaalsContact O-CE3 3.25Å; F1375-W1384 VanDerWaalsContact O-CZ3 3.25Å; F1375-W1384 WeakPolarHBondContact O-CZ3 3.37Å; L1380-W1384 WeakPolarHBondContact O-CB 3.31Å; L1380-W1384 PolarHBondContact O-N 3.27Å; L1380-W1384 VanDerWaalsContact O-N 3.12Å; W1384-R1386 VanDerWaalsContact C-N 3.27Å; W1384-R1386 PolarHBondContact O-N 3.29Å; W1384-F1387 HydrophobicContact CE3-CB 4.35Å; W1384-F1387 AromaticContact CE3-CD1 3.96Å; W1384-F1387 HydrophobicContact CE3-CD1 4.08Å; W1384-F1387 HydrophobicContact CH2-CD1 4.44Å; W1384-F1387 AromaticContact CZ3-CD1 3.66Å; W1384-F1387 HydrophobicContact CZ3-CD1 3.66Å; W1384-F1387 HydrophobicContact CZ3-CE1 4.22Å; W1384-F1387 HydrophobicContact CZ3-CG 4.48Å; W1384-F1387 PolarHBondContact O-N 3.16Å; W1384-F1387 VanDerWaalsContact O-N 3.15Å; W1384-Q1388 HydrophobicContact CD2-CG 3.9Å; W1384-Q1388 VanDerWaalsContact CE2-CD 3.44Å; W1384-Q1388 VanDerWaalsContact CE2-CG 3.43Å; W1384-Q1388 VanDerWaalsContact CE2-NE2 3.31Å; W1384-Q1388 HydrophobicContact CE3-CG 4.35Å; W1384-Q1388 HydrophobicContact CG-CG 4.33Å; W1384-Q1388 HydrophobicContact CH2-CG 4.25Å; W1384-Q1388 HydrophobicContact CZ2-CG 3.69Å; W1384-Q1388 HydrophobicContact CZ3-CG 4.45Å; W1384-Q1388 VanDerWaalsContact O-CB 3.3Å; W1384-Q1388 WeakPolarHBondContact O-CB 3.38Å; W1384-Q1388 WeakPolarHBondContact O-CG 3.32Å; W1384-Q1388 PolarHBondContact O-N 3.18Å
1385S82.1Confident78.5Confident62.4 Ų62.464.9 Ų64.944%0.43633%0.327SS..Hα-helixtrans-62-29.4177.466.10000113.7K1382 D1383 K1389K1382-S1385 PolarHBondContact O-OG 3.22Å; D1383-S1385 VanDerWaalsContact C-N 3.26Å; D1383-S1385 PolarHBondContact O-N 3.01Å; S1385-K1389 WeakPolarHBondContact O-CG 3.39Å; S1385-K1389 PolarHBondContact O-N 3.09Å
1386R83.4Confident79Confident114.2 Ų114.267.1 Ų67.143%0.43135%0.346SS..Hα-helixtrans-75.2-47.2175.1-63.9176.7175.7179.4-9.3110.1D1383 W1384 Q1388 K1389 V1390D1383-R1386 WeakPolarHBondContact O-CA 3.45Å; D1383-R1386 WeakPolarHBondContact O-CB 3.37Å; D1383-R1386 PolarHBondContact O-N 2.99Å; D1383-R1386 IonicContact OD1-CZ 3.37Å; D1383-R1386 IonicContact OD1-NE 3.34Å; D1383-R1386 IonicContact OD1-NH1 3.27Å; D1383-R1386 PolarHBondContact OD1-NH1 3.2Å; W1384-R1386 VanDerWaalsContact C-N 3.27Å; W1384-R1386 PolarHBondContact O-N 3.29Å; R1386-Q1388 VanDerWaalsContact C-N 3.32Å; R1386-Q1388 PolarHBondContact O-N 3.13Å; R1386-K1389 PolarHBondContact O-N 3.03Å; R1386-V1390 PolarHBondContact O-N 3.23Å
1387F85.7Confident79.8Confident1.2 Ų1.264.4 Ų64.41%0.00533%0.326CS..Hα-helixtrans-60-42.8176.6-174.7-96.5000111.7W1368 L1371 E1372 F1375 D1383 W1384 K1389 V1390 D1391 L1427W1368-F1387 AromaticContact CD1-CE2 3.92Å; W1368-F1387 AromaticContact CD1-CZ 3.6Å; W1368-F1387 HydrophobicContact CG-CZ 4.41Å; W1368-F1387 AromaticContact NE1-CZ 3.69Å; L1371-F1387 HydrophobicContact CB-CD2 4.23Å; L1371-F1387 HydrophobicContact CB-CE2 3.64Å; L1371-F1387 HydrophobicContact CB-CZ 4.36Å; L1371-F1387 HydrophobicContact CD1-CE2 4.46Å; E1372-F1387 VanDerWaalsContact CA-CZ 3.45Å; E1372-F1387 HydrophobicContact CB-CE1 4.26Å; E1372-F1387 HydrophobicContact CB-CZ 3.8Å; E1372-F1387 HydrophobicContact CG-CE1 4.27Å; E1372-F1387 HydrophobicContact CG-CZ 4.22Å; F1375-F1387 HydrophobicContact CB-CB 4.4Å; F1375-F1387 HydrophobicContact CB-CD1 3.83Å; F1375-F1387 HydrophobicContact CB-CD2 4.36Å; F1375-F1387 HydrophobicContact CB-CE1 4.2Å; F1375-F1387 HydrophobicContact CB-CG 4.03Å; F1375-F1387 HydrophobicContact CD1-CB 4.15Å; F1375-F1387 HydrophobicContact CD1-CG 4.37Å; F1375-F1387 HydrophobicContact CD2-CD2 4.21Å; F1375-F1387 HydrophobicContact CD2-CG 4.31Å; F1375-F1387 HydrophobicContact CE1-CB 4.39Å; F1375-F1387 HydrophobicContact CG-CB 4.21Å; F1375-F1387 HydrophobicContact CG-CD1 4.34Å; F1375-F1387 HydrophobicContact CG-CD2 4.39Å; F1375-F1387 AromaticContact CG-CG 3.87Å; F1375-F1387 HydrophobicContact CG-CG 4.04Å; D1383-F1387 PolarHBondContact O-N 3.16Å; D1383-F1387 VanDerWaalsContact O-N 3.12Å; W1384-F1387 HydrophobicContact CE3-CB 4.35Å; W1384-F1387 AromaticContact CE3-CD1 3.96Å; W1384-F1387 HydrophobicContact CE3-CD1 4.08Å; W1384-F1387 HydrophobicContact CH2-CD1 4.44Å; W1384-F1387 AromaticContact CZ3-CD1 3.66Å; W1384-F1387 HydrophobicContact CZ3-CD1 3.66Å; W1384-F1387 HydrophobicContact CZ3-CE1 4.22Å; W1384-F1387 HydrophobicContact CZ3-CG 4.48Å; W1384-F1387 PolarHBondContact O-N 3.16Å; W1384-F1387 VanDerWaalsContact O-N 3.15Å; F1387-K1389 VanDerWaalsContact C-N 3.3Å; F1387-K1389 PolarHBondContact O-N 3.14Å; F1387-V1390 CarbonylContact O-C 3.54Å; F1387-V1390 WeakPolarHBondContact O-CA 3.38Å; F1387-V1390 WeakPolarHBondContact O-CB 3.46Å; F1387-V1390 PolarHBondContact O-N 3.34Å; F1387-V1390 VanDerWaalsContact O-N 3.09Å; F1387-D1391 HydrophobicContact CD1-CB 4.35Å; F1387-D1391 HydrophobicContact CE1-CB 4.11Å; F1387-D1391 HydrophobicContact CZ-CB 4.43Å; F1387-D1391 VanDerWaalsContact O-CB 3.27Å; F1387-D1391 WeakPolarHBondContact O-CB 3.45Å; F1387-D1391 PolarHBondContact O-N 3.19Å; F1387-L1427 HydrophobicContact CD2-CD2 4.11Å; F1387-L1427 HydrophobicContact CE2-CD2 3.92Å
1388Q85.2Confident80.7Confident99.2 Ų99.260 Ų6046%0.46431%0.307SS..Hα-helixtrans-58.8-37.7178.1-113.1-174.5-16.100113.2W1384 R1386 D1391 H1392W1384-Q1388 HydrophobicContact CD2-CG 3.9Å; W1384-Q1388 VanDerWaalsContact CE2-CD 3.44Å; W1384-Q1388 VanDerWaalsContact CE2-CG 3.43Å; W1384-Q1388 VanDerWaalsContact CE2-NE2 3.31Å; W1384-Q1388 HydrophobicContact CE3-CG 4.35Å; W1384-Q1388 HydrophobicContact CG-CG 4.33Å; W1384-Q1388 HydrophobicContact CH2-CG 4.25Å; W1384-Q1388 HydrophobicContact CZ2-CG 3.69Å; W1384-Q1388 HydrophobicContact CZ3-CG 4.45Å; W1384-Q1388 VanDerWaalsContact O-CB 3.3Å; W1384-Q1388 WeakPolarHBondContact O-CB 3.38Å; W1384-Q1388 WeakPolarHBondContact O-CG 3.32Å; W1384-Q1388 PolarHBondContact O-N 3.18Å; R1386-Q1388 VanDerWaalsContact C-N 3.32Å; R1386-Q1388 PolarHBondContact O-N 3.13Å; Q1388-D1391 PolarHBondContact O-N 3.01Å; Q1388-H1392 VanDerWaalsContact O-CB 3.31Å; Q1388-H1392 WeakPolarHBondContact O-CB 3.32Å; Q1388-H1392 PolarHBondContact O-N 3.09Å
1389K86.4Confident81.6Confident149 Ų14960.6 Ų60.665%0.64830%0.304SS*.Hα-helixtrans-65.9-42.2175.2-71.4176.8-177.6-177.50111.5S1385 R1386 F1387 N1393S1385-K1389 WeakPolarHBondContact O-CG 3.39Å; S1385-K1389 PolarHBondContact O-N 3.09Å; R1386-K1389 PolarHBondContact O-N 3.03Å; F1387-K1389 VanDerWaalsContact C-N 3.3Å; F1387-K1389 PolarHBondContact O-N 3.14Å; K1389-N1393 WeakPolarHBondContact O-CB 3.29Å; K1389-N1393 VanDerWaalsContact O-CG 3.27Å; K1389-N1393 PolarHBondContact O-N 3.04Å; K1389-N1393 VanDerWaalsContact O-N 3.12Å; K1389-N1393 PolarHBondContact O-ND2 3.02Å
1390V88Confident82.6Confident3 Ų362.9 Ų62.92%0.01831%0.309CS..Hα-helixtrans-66.8-43.9175.9178.30000110.9R1386 F1387 H1392 N1393 F1394 M1423 Q1426 L1427R1386-V1390 PolarHBondContact O-N 3.23Å; F1387-V1390 CarbonylContact O-C 3.54Å; F1387-V1390 WeakPolarHBondContact O-CA 3.38Å; F1387-V1390 WeakPolarHBondContact O-CB 3.46Å; F1387-V1390 PolarHBondContact O-N 3.34Å; F1387-V1390 VanDerWaalsContact O-N 3.09Å; V1390-H1392 VanDerWaalsContact C-N 3.33Å; V1390-H1392 PolarHBondContact O-N 3.16Å; V1390-N1393 PolarHBondContact O-N 3.25Å; V1390-F1394 VanDerWaalsContact O-CB 3.28Å; V1390-F1394 WeakPolarHBondContact O-CB 3.28Å; V1390-F1394 PolarHBondContact O-N 3.2Å; V1390-M1423 HydrophobicContact CG1-CB 4.02Å; V1390-M1423 HydrophobicContact CG1-CE 3.99Å; V1390-M1423 HydrophobicContact CG1-CG 3.98Å; V1390-M1423 HydrophobicContact CG1-SD 4.39Å; V1390-Q1426 HydrophobicContact CG2-CB 3.49Å; V1390-Q1426 HydrophobicContact CG2-CG 4.29Å; V1390-Q1426 VanDerWaalsContact CG2-OE1 3.22Å; V1390-L1427 HydrophobicContact CG1-CD1 3.98Å; V1390-L1427 HydrophobicContact CG1-CD2 3.93Å; V1390-L1427 HydrophobicContact CG1-CG 3.81Å
1391D87Confident83.2Confident28 Ų2862.2 Ų62.215%0.1530%0.304CS..Hα-helixtrans-57.3-47.2177.8-178.170000111.2W1368 F1387 Q1388 N1393 F1394 R1395W1368-D1391 VanDerWaalsContact CE2-OD1 3.26Å; W1368-D1391 VanDerWaalsContact CZ2-OD1 3.26Å; W1368-D1391 WeakPolarHBondContact CZ2-OD1 3.4Å; W1368-D1391 PolarHBondContact NE1-OD1 3.17Å; F1387-D1391 HydrophobicContact CD1-CB 4.35Å; F1387-D1391 HydrophobicContact CE1-CB 4.11Å; F1387-D1391 HydrophobicContact CZ-CB 4.43Å; F1387-D1391 VanDerWaalsContact O-CB 3.27Å; F1387-D1391 WeakPolarHBondContact O-CB 3.45Å; F1387-D1391 PolarHBondContact O-N 3.19Å; Q1388-D1391 PolarHBondContact O-N 3.01Å; D1391-N1393 PolarHBondContact O-N 3.11Å; D1391-F1394 PolarHBondContact O-N 3.14Å; D1391-R1395 VanDerWaalsContact CG-NE 3.28Å; D1391-R1395 VanDerWaalsContact O-CB 3.25Å; D1391-R1395 WeakPolarHBondContact O-CB 3.29Å; D1391-R1395 VanDerWaalsContact O-CG 3.27Å; D1391-R1395 WeakPolarHBondContact O-CG 3.37Å; D1391-R1395 PolarHBondContact O-N 3.1Å; D1391-R1395 IonicContact OD1-CZ 3.35Å; D1391-R1395 IonicContact OD1-NE 3.34Å; D1391-R1395 PolarHBondContact OD1-NE 3.08Å; D1391-R1395 IonicContact OD1-NH2 3.18Å; D1391-R1395 PolarHBondContact OD1-NH2 3.22Å; D1391-R1395 VanDerWaalsContact OD1-NH2 3.14Å; D1391-R1395 WeakPolarHBondContact OD2-CD 3.44Å; D1391-R1395 IonicContact OD2-CZ 3.03Å; D1391-R1395 IonicContact OD2-NE 3.01Å; D1391-R1395 PolarHBondContact OD2-NE 3.2Å; D1391-R1395 IonicContact OD2-NH2 3.37Å
1392H87.3Confident83.9Confident132.2 Ų132.261.4 Ų61.461%0.61229%0.292SS*.Hα-helixtrans-60.3-47.9176-175.372.9000112.3Q1388 V1390 F1394 R1395 A1396Q1388-H1392 VanDerWaalsContact O-CB 3.31Å; Q1388-H1392 WeakPolarHBondContact O-CB 3.32Å; Q1388-H1392 PolarHBondContact O-N 3.09Å; V1390-H1392 VanDerWaalsContact C-N 3.33Å; V1390-H1392 PolarHBondContact O-N 3.16Å; H1392-F1394 PolarHBondContact O-N 2.96Å; H1392-R1395 PolarHBondContact O-N 3.18Å; H1392-A1396 VanDerWaalsContact O-CB 3.31Å; H1392-A1396 WeakPolarHBondContact O-CB 3.3Å; H1392-A1396 PolarHBondContact O-N 3.34Å
1393N87.4Confident84.4Confident56.8 Ų56.860.3 Ų60.330%0.30429%0.289SS..Hα-helixtrans-64.4-42.2179.1-71.1-13.4000112.1K1389 V1390 D1391 A1396 I1397 M1423K1389-N1393 WeakPolarHBondContact O-CB 3.29Å; K1389-N1393 VanDerWaalsContact O-CG 3.27Å; K1389-N1393 PolarHBondContact O-N 3.04Å; K1389-N1393 VanDerWaalsContact O-N 3.12Å; K1389-N1393 PolarHBondContact O-ND2 3.02Å; V1390-N1393 PolarHBondContact O-N 3.25Å; D1391-N1393 PolarHBondContact O-N 3.11Å; N1393-A1396 PolarHBondContact O-N 3.27Å; N1393-I1397 WeakPolarHBondContact O-CD1 3.37Å; N1393-I1397 VanDerWaalsContact O-CG1 3.3Å; N1393-I1397 WeakPolarHBondContact O-CG1 3.32Å; N1393-I1397 PolarHBondContact O-N 3.18Å; N1393-I1397 VanDerWaalsContact O-N 3.11Å; N1393-M1423 HydrophobicContact CB-CE 4.31Å; N1393-M1423 HydrophobicContact CB-CG 4.35Å; N1393-M1423 HydrophobicContact CB-SD 3.77Å
1394F88.6Confident84.7Confident2.2 Ų2.261.2 Ų61.21%0.0129%0.294CS..Hα-helixtrans-65.1-48.8178.6-179.8-106.4000110.9P1308 L1361 V1364 Q1365 W1368 V1390 D1391 H1392 A1396 I1397 M1398 M1423P1308-F1394 HydrophobicContact CG-CE1 4.49Å; L1361-F1394 HydrophobicContact CD1-CD2 4.11Å; L1361-F1394 HydrophobicContact CD1-CE2 3.7Å; V1364-F1394 HydrophobicContact CG1-CD2 3.66Å; V1364-F1394 HydrophobicContact CG1-CE2 4.09Å; V1364-F1394 HydrophobicContact CG1-CG 4.38Å; Q1365-F1394 HydrophobicContact CB-CE2 4.02Å; Q1365-F1394 HydrophobicContact CB-CZ 3.86Å; Q1365-F1394 HydrophobicContact CG-CE2 4.48Å; Q1365-F1394 HydrophobicContact CG-CZ 3.92Å; W1368-F1394 HydrophobicContact CB-CD1 4.47Å; W1368-F1394 HydrophobicContact CB-CE1 4.47Å; W1368-F1394 AromaticContact CD1-CD1 3.95Å; W1368-F1394 AromaticContact CD2-CD1 3.62Å; W1368-F1394 HydrophobicContact CD2-CD1 3.62Å; W1368-F1394 AromaticContact CD2-CE1 3.66Å; W1368-F1394 HydrophobicContact CD2-CE1 3.66Å; W1368-F1394 HydrophobicContact CD2-CG 4.42Å; W1368-F1394 AromaticContact CE2-CD1 3.74Å; W1368-F1394 AromaticContact CE3-CD1 3.88Å; W1368-F1394 HydrophobicContact CE3-CD1 4.03Å; W1368-F1394 AromaticContact CE3-CE1 3.57Å; W1368-F1394 HydrophobicContact CE3-CE1 3.57Å; W1368-F1394 VanDerWaalsContact CE3-CE1 3.46Å; W1368-F1394 HydrophobicContact CE3-CZ 4.43Å; W1368-F1394 AromaticContact CG-CD1 3.87Å; W1368-F1394 HydrophobicContact CG-CD1 3.87Å; W1368-F1394 AromaticContact CG-CE1 4Å; W1368-F1394 HydrophobicContact CG-CE1 4.14Å; W1368-F1394 HydrophobicContact CG-CG 4.4Å; W1368-F1394 HydrophobicContact CH2-CD1 4.39Å; W1368-F1394 HydrophobicContact CH2-CE1 4.42Å; W1368-F1394 HydrophobicContact CZ2-CD1 4.23Å; W1368-F1394 HydrophobicContact CZ2-CE1 4.44Å; W1368-F1394 HydrophobicContact CZ3-CD1 4.31Å; W1368-F1394 AromaticContact CZ3-CE1 3.81Å; W1368-F1394 HydrophobicContact CZ3-CE1 3.99Å; W1368-F1394 AromaticContact NE1-CD1 3.96Å; V1390-F1394 VanDerWaalsContact O-CB 3.28Å; V1390-F1394 WeakPolarHBondContact O-CB 3.28Å; V1390-F1394 PolarHBondContact O-N 3.2Å; D1391-F1394 PolarHBondContact O-N 3.14Å; H1392-F1394 PolarHBondContact O-N 2.96Å; F1394-A1396 VanDerWaalsContact C-N 3.29Å; F1394-A1396 PolarHBondContact O-N 3.15Å; F1394-I1397 PolarHBondContact O-N 3.02Å; F1394-I1397 VanDerWaalsContact O-N 3.13Å; F1394-M1398 HydrophobicContact CD1-CG 4.15Å; F1394-M1398 HydrophobicContact CD2-CG 4.33Å; F1394-M1398 HydrophobicContact CE1-CG 3.72Å; F1394-M1398 HydrophobicContact CE1-SD 4.45Å; F1394-M1398 HydrophobicContact CE2-CG 3.93Å; F1394-M1398 HydrophobicContact CE2-SD 3.92Å; F1394-M1398 HydrophobicContact CG-CG 4.43Å; F1394-M1398 HydrophobicContact CZ-CE 4.42Å; F1394-M1398 HydrophobicContact CZ-CG 3.59Å; F1394-M1398 VanDerWaalsContact CZ-CG 3.5Å; F1394-M1398 HydrophobicContact CZ-SD 3.79Å; F1394-M1398 WeakPolarHBondContact O-CG 3.3Å; F1394-M1398 PolarHBondContact O-N 3.25Å; F1394-M1423 HydrophobicContact CB-CE 3.67Å; F1394-M1423 HydrophobicContact CB-SD 4.24Å; F1394-M1423 HydrophobicContact CD2-CE 4.1Å; F1394-M1423 HydrophobicContact CG-CE 4.39Å
1395R87.4Confident85Confident60.4 Ų60.459 Ų5923%0.22829%0.292CS..Hα-helixtrans-60-37.5176.1-70.6179.6-167.9-93.9-3.6112.2Q1306 P1308 W1368 E1372 D1391 H1392 M1398 S1399Q1306-R1395 PolarHBondContact O-NH1 3Å; P1308-R1395 VanDerWaalsContact CD-NH1 3.34Å; P1308-R1395 HydrophobicContact CG-CG 4.14Å; W1368-R1395 HydrophobicContact CZ2-CG 4.49Å; E1372-R1395 IonicContact OE1-CZ 3.44Å; E1372-R1395 IonicContact OE1-NH2 3.33Å; E1372-R1395 PolarHBondContact OE1-NH2 3.18Å; D1391-R1395 VanDerWaalsContact CG-NE 3.28Å; D1391-R1395 VanDerWaalsContact O-CB 3.25Å; D1391-R1395 WeakPolarHBondContact O-CB 3.29Å; D1391-R1395 VanDerWaalsContact O-CG 3.27Å; D1391-R1395 WeakPolarHBondContact O-CG 3.37Å; D1391-R1395 PolarHBondContact O-N 3.1Å; D1391-R1395 IonicContact OD1-CZ 3.35Å; D1391-R1395 IonicContact OD1-NE 3.34Å; D1391-R1395 PolarHBondContact OD1-NE 3.08Å; D1391-R1395 IonicContact OD1-NH2 3.18Å; D1391-R1395 PolarHBondContact OD1-NH2 3.22Å; D1391-R1395 VanDerWaalsContact OD1-NH2 3.14Å; D1391-R1395 WeakPolarHBondContact OD2-CD 3.44Å; D1391-R1395 IonicContact OD2-CZ 3.03Å; D1391-R1395 IonicContact OD2-NE 3.01Å; D1391-R1395 PolarHBondContact OD2-NE 3.2Å; D1391-R1395 IonicContact OD2-NH2 3.37Å; H1392-R1395 PolarHBondContact O-N 3.18Å; R1395-M1398 PolarHBondContact O-N 3.15Å; R1395-S1399 VanDerWaalsContact O-CB 3.25Å; R1395-S1399 WeakPolarHBondContact O-CB 3.35Å; R1395-S1399 PolarHBondContact O-N 3.16Å
1396A85.7Confident85.2Confident47.6 Ų47.661.6 Ų61.639%0.39329%0.292SS..Hα-helixtrans-64.2-41175.300000112.5H1392 N1393 F1394 R1400H1392-A1396 VanDerWaalsContact O-CB 3.31Å; H1392-A1396 WeakPolarHBondContact O-CB 3.3Å; H1392-A1396 PolarHBondContact O-N 3.34Å; N1393-A1396 PolarHBondContact O-N 3.27Å; F1394-A1396 VanDerWaalsContact C-N 3.29Å; F1394-A1396 PolarHBondContact O-N 3.15Å; A1396-R1400 WeakPolarHBondContact O-CG 3.3Å; A1396-R1400 PolarHBondContact O-N 3Å
1397I85.9Confident85.3Confident6.4 Ų6.456.2 Ų56.23%0.03327%0.271CS..Hα-helixtrans-66.3-46.3175.1-68.2163.7000110.6L1361 N1393 F1394 S1399 R1400 L1401 I1415 F1420 M1423L1361-I1397 HydrophobicContact CD1-CG2 4.4Å; L1361-I1397 HydrophobicContact CD2-CG2 4.32Å; N1393-I1397 WeakPolarHBondContact O-CD1 3.37Å; N1393-I1397 VanDerWaalsContact O-CG1 3.3Å; N1393-I1397 WeakPolarHBondContact O-CG1 3.32Å; N1393-I1397 PolarHBondContact O-N 3.18Å; N1393-I1397 VanDerWaalsContact O-N 3.11Å; F1394-I1397 PolarHBondContact O-N 3.02Å; F1394-I1397 VanDerWaalsContact O-N 3.13Å; I1397-S1399 PolarHBondContact O-N 2.86Å; I1397-R1400 WeakPolarHBondContact O-CB 3.3Å; I1397-R1400 PolarHBondContact O-N 3.11Å; I1397-L1401 HydrophobicContact CG2-CD1 4.15Å; I1397-L1401 WeakPolarHBondContact O-CG 3.36Å; I1397-L1401 PolarHBondContact O-N 3.19Å; I1397-L1401 VanDerWaalsContact O-N 3.15Å; I1397-I1415 HydrophobicContact CD1-CG2 4.44Å; I1397-I1415 HydrophobicContact CG1-CG2 4.42Å; I1397-I1415 HydrophobicContact CG2-CD1 4.37Å; I1397-F1420 HydrophobicContact CD1-CD1 4.42Å; I1397-F1420 HydrophobicContact CD1-CE1 3.96Å; I1397-F1420 HydrophobicContact CD1-CZ 4.29Å; I1397-F1420 HydrophobicContact CG2-CE1 4.45Å; I1397-F1420 HydrophobicContact CG2-CZ 4.4Å; I1397-M1423 HydrophobicContact CD1-CE 3.69Å; I1397-M1423 VanDerWaalsContact CD1-CE 3.42Å; I1397-M1423 HydrophobicContact CD1-SD 4.17Å
1398M85.9Confident85.2Confident1.2 Ų1.258.1 Ų58.11%0.00628%0.281CS..Hα-helixtrans-64.6-40.4-179.9-64.9-53-66.800112.4L1297 P1308 G1309 I1311 L1361 F1394 R1395 R1400 L1401 E1402L1297-M1398 HydrophobicContact CD2-CE 4.15Å; P1308-M1398 HydrophobicContact CB-CB 3.73Å; P1308-M1398 HydrophobicContact CB-CG 4.36Å; P1308-M1398 HydrophobicContact CG-CB 4.22Å; P1308-M1398 HydrophobicContact CG-CG 4.46Å; G1309-M1398 WeakPolarHBondContact O-CE 3.34Å; I1311-M1398 HydrophobicContact CD1-CE 3.91Å; I1311-M1398 HydrophobicContact CD1-SD 4.24Å; I1311-M1398 HydrophobicContact CG1-CE 3.78Å; L1361-M1398 HydrophobicContact CD1-SD 4.33Å; F1394-M1398 HydrophobicContact CD1-CG 4.15Å; F1394-M1398 HydrophobicContact CD2-CG 4.33Å; F1394-M1398 HydrophobicContact CE1-CG 3.72Å; F1394-M1398 HydrophobicContact CE1-SD 4.45Å; F1394-M1398 HydrophobicContact CE2-CG 3.93Å; F1394-M1398 HydrophobicContact CE2-SD 3.92Å; F1394-M1398 HydrophobicContact CG-CG 4.43Å; F1394-M1398 HydrophobicContact CZ-CE 4.42Å; F1394-M1398 HydrophobicContact CZ-CG 3.59Å; F1394-M1398 VanDerWaalsContact CZ-CG 3.5Å; F1394-M1398 HydrophobicContact CZ-SD 3.79Å; F1394-M1398 WeakPolarHBondContact O-CG 3.3Å; F1394-M1398 PolarHBondContact O-N 3.25Å; R1395-M1398 PolarHBondContact O-N 3.15Å; M1398-R1400 VanDerWaalsContact C-N 3.27Å; M1398-R1400 PolarHBondContact O-N 3.2Å; M1398-L1401 HydrophobicContact CE-CD1 4.39Å; M1398-L1401 CarbonylContact O-C 3.48Å; M1398-L1401 PolarHBondContact O-N 2.92Å; M1398-L1401 VanDerWaalsContact O-N 3.12Å; M1398-L1401 HydrophobicContact SD-CD1 4.18Å; M1398-E1402 WeakPolarHBondContact O-CB 3.26Å; M1398-E1402 WeakPolarHBondContact O-CG 3.34Å; M1398-E1402 PolarHBondContact O-N 3.14Å
1399S83.7Confident85.1Confident55.6 Ų55.655 Ų5539%0.38927%0.268SS..Hα-helixtrans-61.9-33175.7-178.90000112.5R1395 I1397 E1402 Q1403R1395-S1399 VanDerWaalsContact O-CB 3.25Å; R1395-S1399 WeakPolarHBondContact O-CB 3.35Å; R1395-S1399 PolarHBondContact O-N 3.16Å; I1397-S1399 PolarHBondContact O-N 2.86Å; S1399-E1402 PolarHBondContact O-N 3.12Å; S1399-Q1403 WeakPolarHBondContact O-CG 3.35Å; S1399-Q1403 PolarHBondContact O-N 2.97Å; S1399-Q1403 VanDerWaalsContact O-N 3.13Å
1400R82.6Confident84.8Confident88.2 Ų88.247.9 Ų47.933%0.33324%0.237SC..Hα-helixtrans-72.2-40174-109.1174.9177.4156.6-4.2112.5A1396 I1397 M1398 E1402 Q1403 D1404 S1412 D1414A1396-R1400 WeakPolarHBondContact O-CG 3.3Å; A1396-R1400 PolarHBondContact O-N 3Å; I1397-R1400 WeakPolarHBondContact O-CB 3.3Å; I1397-R1400 PolarHBondContact O-N 3.11Å; M1398-R1400 VanDerWaalsContact C-N 3.27Å; M1398-R1400 PolarHBondContact O-N 3.2Å; R1400-E1402 PolarHBondContact O-N 3.08Å; R1400-Q1403 PolarHBondContact O-N 3.07Å; R1400-Q1403 VanDerWaalsContact O-N 3.17Å; R1400-D1404 PolarHBondContact O-N 3.22Å; R1400-D1404 VanDerWaalsContact O-N 3.08Å; R1400-S1412 PolarHBondContact NH2-OG 3.46Å; R1400-D1414 IonicContact CZ-OD2 2.71Å; R1400-D1414 VanDerWaalsContact NH1-CB 3.34Å; R1400-D1414 PolarHBondContact NH1-O 3.48Å; R1400-D1414 VanDerWaalsContact NH1-O 3.13Å; R1400-D1414 IonicContact NH1-OD2 3.56Å; R1400-D1414 PolarHBondContact NH1-OD2 3.5Å; R1400-D1414 IonicContact NH2-OD2 3.57Å; R1400-D1414 PolarHBondContact NH2-OD2 3.23Å
1401L82.7Confident84.4Confident1.2 Ų1.251.3 Ų51.31%0.00625%0.249CC..Hα-helixtrans-66.5-28174.5-67172000112F1295 L1297 I1311 L1361 I1397 M1398 D1404 S1405 L1410F1295-L1401 HydrophobicContact CD2-CD2 4.23Å; F1295-L1401 HydrophobicContact CE2-CD2 4.28Å; L1297-L1401 WeakPolarHBondContact CD1-O 3.43Å; I1311-L1401 HydrophobicContact CD1-CD1 3.97Å; L1361-L1401 HydrophobicContact CD2-CD1 3.91Å; I1397-L1401 HydrophobicContact CG2-CD1 4.15Å; I1397-L1401 WeakPolarHBondContact O-CG 3.36Å; I1397-L1401 PolarHBondContact O-N 3.19Å; I1397-L1401 VanDerWaalsContact O-N 3.15Å; M1398-L1401 HydrophobicContact CE-CD1 4.39Å; M1398-L1401 CarbonylContact O-C 3.48Å; M1398-L1401 PolarHBondContact O-N 2.92Å; M1398-L1401 VanDerWaalsContact O-N 3.12Å; M1398-L1401 HydrophobicContact SD-CD1 4.18Å; L1401-D1404 CarbonylContact O-C 3.44Å; L1401-D1404 VanDerWaalsContact O-C 3.27Å; L1401-S1405 VanDerWaalsContact O-CA 3.26Å; L1401-S1405 WeakPolarHBondContact O-CA 3.3Å; L1401-S1405 PolarHBondContact O-N 3.23Å; L1401-S1405 VanDerWaalsContact O-N 3.13Å; L1401-S1405 PolarHBondContact O-OG 3.16Å; L1401-L1410 HydrophobicContact CD1-CD2 4.01Å; L1401-L1410 HydrophobicContact CD2-CD2 3.9Å; L1401-L1410 HydrophobicContact CD2-CG 4.18Å; L1401-L1410 HydrophobicContact CG-CD2 4.38Å
1402E81.1Confident83.9Confident88.6 Ų88.651.6 Ų51.641%0.41425%0.253SS..Hα-helixtrans-71.1-34.9172.1-151.7177.2170.100112.4L1297 L1299 G1309 M1398 S1399 R1400L1297-E1402 HydrophobicContact CD1-CB 4.3Å; L1297-E1402 HydrophobicContact CD1-CG 4.29Å; L1299-E1402 HydrophobicContact CD2-CG 4.29Å; L1299-E1402 VanDerWaalsContact CD2-OE1 3.26Å; L1299-E1402 WeakPolarHBondContact CD2-OE1 3.34Å; G1309-E1402 PolarHBondContact N-OE1 2.9Å; M1398-E1402 WeakPolarHBondContact O-CB 3.26Å; M1398-E1402 WeakPolarHBondContact O-CG 3.34Å; M1398-E1402 PolarHBondContact O-N 3.14Å; S1399-E1402 PolarHBondContact O-N 3.12Å; R1400-E1402 PolarHBondContact O-N 3.08Å
1403Q83.5Confident83.1Confident162.4 Ų162.451.3 Ų51.376%0.75926%0.263SS*.Hα-helixtrans-70.9-40174.4-71.6174.85.100112.6S1399 R1400S1399-Q1403 WeakPolarHBondContact O-CG 3.35Å; S1399-Q1403 PolarHBondContact O-N 2.97Å; S1399-Q1403 VanDerWaalsContact O-N 3.13Å; R1400-Q1403 PolarHBondContact O-N 3.07Å; R1400-Q1403 VanDerWaalsContact O-N 3.17Å
1404D82.1Confident82.2Confident42.8 Ų42.853.7 Ų53.723%0.22928%0.276CS..  trans-142.7102.2176.81806.1000110R1400 L1401 R1406 N1409R1400-D1404 PolarHBondContact O-N 3.22Å; R1400-D1404 VanDerWaalsContact O-N 3.08Å; L1401-D1404 CarbonylContact O-C 3.44Å; L1401-D1404 VanDerWaalsContact O-C 3.27Å; D1404-R1406 VanDerWaalsContact CG-NE 3.33Å; D1404-R1406 PolarHBondContact O-N 3.33Å; D1404-R1406 WeakPolarHBondContact OD1-CB 3.44Å; D1404-R1406 VanDerWaalsContact OD1-CG 3.25Å; D1404-R1406 WeakPolarHBondContact OD1-CG 3.41Å; D1404-R1406 IonicContact OD1-CZ 3.38Å; D1404-R1406 PolarHBondContact OD1-N 3.19Å; D1404-R1406 IonicContact OD1-NE 3.11Å; D1404-R1406 PolarHBondContact OD1-NE 3.12Å; D1404-R1406 IonicContact OD1-NH2 3.21Å; D1404-R1406 IonicContact OD2-CZ 3.03Å; D1404-R1406 VanDerWaalsContact OD2-CZ 3.27Å; D1404-R1406 IonicContact OD2-NE 3.26Å; D1404-R1406 PolarHBondContact OD2-NE 3.2Å; D1404-R1406 VanDerWaalsContact OD2-NE 3.09Å; D1404-R1406 IonicContact OD2-NH2 3.13Å; D1404-R1406 PolarHBondContact OD2-NH2 3.14Å; D1404-N1409 WeakPolarHBondContact CB-ND2 3.31Å; D1404-N1409 PolarHBondContact O-ND2 3.19Å; D1404-N1409 VanDerWaalsContact O-ND2 3.13Å; D1404-N1409 PolarHBondContact OD1-ND2 3.42Å; D1404-N1409 PolarHBondContact OD2-ND2 3.4Å
1405S84Confident81.5Confident37.4 Ų37.453.9 Ų53.926%0.26228%0.277SS..  trans-77.92.4-172.520.50000114.1T1294 F1295 L1401 V1407T1294-S1405 CarbonylContact C-O 3.49Å; T1294-S1405 WeakPolarHBondContact CA-O 3.29Å; T1294-S1405 WeakPolarHBondContact CB-O 3.34Å; T1294-S1405 WeakPolarHBondContact CB-OG 3.36Å; T1294-S1405 WeakPolarHBondContact CG2-OG 3.21Å; F1295-S1405 PolarHBondContact N-O 3.05Å; L1401-S1405 VanDerWaalsContact O-CA 3.26Å; L1401-S1405 WeakPolarHBondContact O-CA 3.3Å; L1401-S1405 PolarHBondContact O-N 3.23Å; L1401-S1405 VanDerWaalsContact O-N 3.13Å; L1401-S1405 PolarHBondContact O-OG 3.16Å; S1405-V1407 PolarHBondContact O-N 3.15Å
1406R85.8Confident80.9Confident115 Ų11553.2 Ų53.243%0.43428%0.281SS..BIsolated β-bridgetrans-63.3132.6178-69178.6-64.3172.52.6111.2C1293 T1294 D1404 M1408 N1409C1293-R1406 WeakPolarHBondContact O-CA 3.3Å; T1294-R1406 HydrophobicContact CG2-CG 4.18Å; D1404-R1406 VanDerWaalsContact CG-NE 3.33Å; D1404-R1406 PolarHBondContact O-N 3.33Å; D1404-R1406 WeakPolarHBondContact OD1-CB 3.44Å; D1404-R1406 VanDerWaalsContact OD1-CG 3.25Å; D1404-R1406 WeakPolarHBondContact OD1-CG 3.41Å; D1404-R1406 IonicContact OD1-CZ 3.38Å; D1404-R1406 PolarHBondContact OD1-N 3.19Å; D1404-R1406 IonicContact OD1-NE 3.11Å; D1404-R1406 PolarHBondContact OD1-NE 3.12Å; D1404-R1406 IonicContact OD1-NH2 3.21Å; D1404-R1406 IonicContact OD2-CZ 3.03Å; D1404-R1406 VanDerWaalsContact OD2-CZ 3.27Å; D1404-R1406 IonicContact OD2-NE 3.26Å; D1404-R1406 PolarHBondContact OD2-NE 3.2Å; D1404-R1406 VanDerWaalsContact OD2-NE 3.09Å; D1404-R1406 IonicContact OD2-NH2 3.13Å; D1404-R1406 PolarHBondContact OD2-NH2 3.14Å; R1406-M1408 PolarHBondContact O-N 3.21Å; R1406-M1408 VanDerWaalsContact O-N 3.17Å; R1406-N1409 VanDerWaalsContact O-CB 3.24Å; R1406-N1409 WeakPolarHBondContact O-CB 3.33Å; R1406-N1409 PolarHBondContact O-N 3.22Å; R1406-N1409 VanDerWaalsContact O-N 3.17Å
1407V84.4Confident80.4Confident0.8 Ų0.855.6 Ų55.61%0.00528%0.283CS..G310 helixtrans-59.9-34.6-176.31750000111.9C1293 F1295 V1317 L1354 I1358 S1405 N1409 L1410C1293-V1407 HydrophobicContact CB-CG2 4.33Å; C1293-V1407 PolarHBondContact O-N 2.94Å; F1295-V1407 HydrophobicContact CD1-CG2 4.35Å; F1295-V1407 HydrophobicContact CD2-CG2 4.07Å; F1295-V1407 HydrophobicContact CE1-CG2 4.18Å; F1295-V1407 HydrophobicContact CE2-CB 4.13Å; F1295-V1407 HydrophobicContact CE2-CG1 4.19Å; F1295-V1407 HydrophobicContact CE2-CG2 3.91Å; F1295-V1407 HydrophobicContact CG-CG2 4.29Å; F1295-V1407 HydrophobicContact CZ-CB 4.27Å; F1295-V1407 HydrophobicContact CZ-CG1 3.91Å; F1295-V1407 HydrophobicContact CZ-CG2 3.94Å; V1317-V1407 HydrophobicContact CG1-CB 4.48Å; V1317-V1407 HydrophobicContact CG1-CG1 3.96Å; V1317-V1407 HydrophobicContact CG1-CG2 3.79Å; V1317-V1407 HydrophobicContact CG2-CG2 4.39Å; L1354-V1407 HydrophobicContact CD1-CG1 3.88Å; L1354-V1407 WeakPolarHBondContact CD1-O 3.36Å; L1354-V1407 HydrophobicContact CD2-CG1 3.83Å; L1354-V1407 HydrophobicContact CG-CG1 4.21Å; I1358-V1407 HydrophobicContact CD1-CG1 3.81Å; S1405-V1407 PolarHBondContact O-N 3.15Å; V1407-N1409 PolarHBondContact O-N 3.1Å; V1407-L1410 WeakPolarHBondContact O-CB 3.35Å; V1407-L1410 PolarHBondContact O-N 3.26Å
1408M83.9Confident80.2Confident42.8 Ų42.861.5 Ų61.521%0.21131%0.313CS..G310 helixtrans-65.3-19.5178.8-68.5-60.3-69.200114.5W1289 A1290 W1347 L1354 R1406 L1410 R1411W1289-M1408 HydrophobicContact CZ3-SD 4.42Å; A1290-M1408 HydrophobicContact CB-CG 3.81Å; A1290-M1408 HydrophobicContact CB-SD 4.38Å; W1347-M1408 HydrophobicContact CH2-CE 4.16Å; W1347-M1408 HydrophobicContact CZ3-CE 3.91Å; W1347-M1408 HydrophobicContact CZ3-SD 4.29Å; L1354-M1408 HydrophobicContact CD2-SD 4.01Å; R1406-M1408 PolarHBondContact O-N 3.21Å; R1406-M1408 VanDerWaalsContact O-N 3.17Å; M1408-L1410 PolarHBondContact O-N 3.29Å; M1408-L1410 VanDerWaalsContact O-N 3.16Å; M1408-R1411 WeakPolarHBondContact O-CB 3.15Å; M1408-R1411 PolarHBondContact O-N 3.13Å
1409N83Confident80.1Confident33.2 Ų33.264.6 Ų64.618%0.17833%0.328CS..G310 helixtrans-64.6-20.4178-149.310.3000112.4D1404 R1406 V1407 R1411 S1412D1404-N1409 WeakPolarHBondContact CB-ND2 3.31Å; D1404-N1409 PolarHBondContact O-ND2 3.19Å; D1404-N1409 VanDerWaalsContact O-ND2 3.13Å; D1404-N1409 PolarHBondContact OD1-ND2 3.42Å; D1404-N1409 PolarHBondContact OD2-ND2 3.4Å; R1406-N1409 VanDerWaalsContact O-CB 3.24Å; R1406-N1409 WeakPolarHBondContact O-CB 3.33Å; R1406-N1409 PolarHBondContact O-N 3.22Å; R1406-N1409 VanDerWaalsContact O-N 3.17Å; V1407-N1409 PolarHBondContact O-N 3.1Å; N1409-R1411 PolarHBondContact O-N 3.19Å; N1409-R1411 VanDerWaalsContact O-N 3.16Å; N1409-S1412 VanDerWaalsContact O-CB 3.26Å; N1409-S1412 WeakPolarHBondContact O-CB 3.38Å; N1409-S1412 PolarHBondContact O-N 3.08Å; N1409-S1412 VanDerWaalsContact O-N 3.1Å; N1409-S1412 PolarHBondContact O-OG 3.13Å; N1409-S1412 VanDerWaalsContact O-OG 3.08Å; N1409-S1412 PolarHBondContact OD1-OG 3.13Å
1410L81.3Confident80.1Confident0 Ų062.1 Ų62.10%031%0.31CS..G310 helixtrans-61.5-20.3171.4-72.5177000113.6F1295 L1354 R1357 I1358 L1361 L1401 V1407 M1408 F1420F1295-L1410 HydrophobicContact CE2-CD1 3.57Å; F1295-L1410 HydrophobicContact CE2-CG 3.97Å; F1295-L1410 HydrophobicContact CZ-CD1 3.46Å; F1295-L1410 VanDerWaalsContact CZ-CD1 3.46Å; F1295-L1410 HydrophobicContact CZ-CG 4.36Å; L1354-L1410 HydrophobicContact CD1-CB 4.13Å; L1354-L1410 HydrophobicContact CD1-CD1 4.31Å; R1357-L1410 WeakPolarHBondContact CD-O 3.42Å; R1357-L1410 PolarHBondContact NH1-O 3.04Å; I1358-L1410 HydrophobicContact CG1-CD1 3.74Å; L1361-L1410 HydrophobicContact CD2-CD1 4.47Å; L1361-L1410 HydrophobicContact CD2-CD2 3.9Å; L1401-L1410 HydrophobicContact CD1-CD2 4.01Å; L1401-L1410 HydrophobicContact CD2-CD2 3.9Å; L1401-L1410 HydrophobicContact CD2-CG 4.18Å; L1401-L1410 HydrophobicContact CG-CD2 4.38Å; V1407-L1410 WeakPolarHBondContact O-CB 3.35Å; V1407-L1410 PolarHBondContact O-N 3.26Å; M1408-L1410 PolarHBondContact O-N 3.29Å; M1408-L1410 VanDerWaalsContact O-N 3.16Å; L1410-F1420 HydrophobicContact CD2-CZ 4.25Å
1411R79.9Confident80.2Confident75.4 Ų75.459.8 Ų59.829%0.28531%0.307SS..G310 helixtrans-92.52.9177.1-123.2-174.2131.8-139.57.3113.5F1346 S1350 D1353 L1354 M1408 N1409F1346-R1411 VanDerWaalsContact CE2-NH1 3.28Å; F1346-R1411 VanDerWaalsContact CZ-NH1 3.28Å; S1350-R1411 VanDerWaalsContact CA-CZ 3.45Å; S1350-R1411 VanDerWaalsContact CB-CZ 3.48Å; S1350-R1411 WeakPolarHBondContact O-CD 3.28Å; S1350-R1411 VanDerWaalsContact OG-CZ 3.31Å; S1350-R1411 PolarHBondContact OG-NH1 3.32Å; S1350-R1411 PolarHBondContact OG-NH2 2.96Å; S1350-R1411 VanDerWaalsContact OG-NH2 3.13Å; D1353-R1411 IonicContact OD2-NE 3.51Å; D1353-R1411 PolarHBondContact OD2-NE 3.17Å; D1353-R1411 VanDerWaalsContact OD2-NE 3.08Å; L1354-R1411 HydrophobicContact CD1-CG 4.4Å; M1408-R1411 WeakPolarHBondContact O-CB 3.15Å; M1408-R1411 PolarHBondContact O-N 3.13Å; N1409-R1411 PolarHBondContact O-N 3.19Å; N1409-R1411 VanDerWaalsContact O-N 3.16Å
1412S76.5Confident80.5Confident32.4 Ų32.462.1 Ų62.123%0.22732%0.323CS..SBendtrans-55.6140.6176-106.60000111.1R1400 N1409 D1414 I1415R1400-S1412 PolarHBondContact NH2-OG 3.46Å; N1409-S1412 VanDerWaalsContact O-CB 3.26Å; N1409-S1412 WeakPolarHBondContact O-CB 3.38Å; N1409-S1412 PolarHBondContact O-N 3.08Å; N1409-S1412 VanDerWaalsContact O-N 3.1Å; N1409-S1412 PolarHBondContact O-OG 3.13Å; N1409-S1412 VanDerWaalsContact O-OG 3.08Å; N1409-S1412 PolarHBondContact OD1-OG 3.13Å; S1412-D1414 PolarHBondContact O-N 3.16Å; S1412-I1415 PolarHBondContact O-N 3.19Å
1413P70.7Confident80.8Confident126 Ų12658 Ų5882%0.81830%0.304SS*.THydrogen-bonded Turntrans-58.2-22.9-176.921.2-32.3000113.5I1415P1413-I1415 VanDerWaalsContact C-N 3.28Å; P1413-I1415 PolarHBondContact O-N 3.27Å
1414D68.4Low81Confident107.4 Ų107.454.7 Ų54.757%0.57429%0.285SS*.THydrogen-bonded Turntrans-72.5-16.4177.5-61.2-27.6000114.1R1400 S1412R1400-D1414 IonicContact CZ-OD2 2.71Å; R1400-D1414 VanDerWaalsContact NH1-CB 3.34Å; R1400-D1414 PolarHBondContact NH1-O 3.48Å; R1400-D1414 VanDerWaalsContact NH1-O 3.13Å; R1400-D1414 IonicContact NH1-OD2 3.56Å; R1400-D1414 PolarHBondContact NH1-OD2 3.5Å; R1400-D1414 IonicContact NH2-OD2 3.57Å; R1400-D1414 PolarHBondContact NH2-OD2 3.23Å; S1412-D1414 PolarHBondContact O-N 3.16Å
1415I72.4Confident81.3Confident6.2 Ų6.258 Ų583%0.03230%0.299CS..SBendtrans-10797.8178.5-54.9176.9000107.7R1357 I1397 S1412 P1413 F1420R1357-I1415 PolarHBondContact NH1-O 3.17Å; I1397-I1415 HydrophobicContact CD1-CG2 4.44Å; I1397-I1415 HydrophobicContact CG1-CG2 4.42Å; I1397-I1415 HydrophobicContact CG2-CD1 4.37Å; S1412-I1415 PolarHBondContact O-N 3.19Å; P1413-I1415 VanDerWaalsContact C-N 3.28Å; P1413-I1415 PolarHBondContact O-N 3.27Å; I1415-F1420 HydrophobicContact CG2-CD2 4.21Å; I1415-F1420 HydrophobicContact CG2-CE1 4.4Å; I1415-F1420 HydrophobicContact CG2-CE2 3.29Å; I1415-F1420 HydrophobicContact CG2-CZ 3.55Å; I1415-F1420 VanDerWaalsContact CG2-CZ 3.41Å
1416S74.7Confident81.5Confident46 Ų4659.3 Ų59.332%0.32230%0.301SS..  trans-79.7141.1-179.5870000111.4I1418 Q1419 F1420S1416-I1418 PolarHBondContact O-N 3.14Å; S1416-I1418 VanDerWaalsContact O-N 3.1Å; S1416-I1418 WeakPolarHBondContact OG-CB 3.2Å; S1416-I1418 PolarHBondContact OG-N 3.24Å; S1416-Q1419 VanDerWaalsContact O-CB 3.3Å; S1416-Q1419 WeakPolarHBondContact O-CB 3.35Å; S1416-Q1419 PolarHBondContact O-N 3.14Å; S1416-Q1419 VanDerWaalsContact O-N 3.11Å; S1416-Q1419 WeakPolarHBondContact OG-CB 3.14Å; S1416-Q1419 VanDerWaalsContact OG-CG 3.29Å; S1416-Q1419 WeakPolarHBondContact OG-CG 3.46Å; S1416-Q1419 PolarHBondContact OG-N 3.19Å; S1416-Q1419 VanDerWaalsContact OG-N 3.11Å; S1416-Q1419 PolarHBondContact OG-OE1 3.2Å; S1416-Q1419 VanDerWaalsContact OG-OE1 3.04Å; S1416-F1420 PolarHBondContact O-N 3.32Å
1417K76Confident81.5Confident99.4 Ų99.453.8 Ų53.843%0.43228%0.28SS..Hα-helixtrans-56.1-30.5171.8-168174-176.8170.50112.3D1353 E1356 Q1419 F1420 S1421D1353-K1417 WeakPolarHBondContact OD1-CD 3.44Å; D1353-K1417 WeakPolarHBondContact OD1-CE 3.43Å; D1353-K1417 IonicContact OD1-NZ 2.78Å; D1353-K1417 PolarHBondContact OD1-NZ 2.96Å; E1356-K1417 WeakPolarHBondContact OE2-CE 3.24Å; E1356-K1417 IonicContact OE2-NZ 3.4Å; E1356-K1417 PolarHBondContact OE2-NZ 3.17Å; K1417-Q1419 VanDerWaalsContact C-N 3.33Å; K1417-Q1419 PolarHBondContact O-N 3.12Å; K1417-F1420 PolarHBondContact O-N 3.21Å; K1417-S1421 PolarHBondContact O-N 3.25Å; K1417-S1421 VanDerWaalsContact O-N 3.09Å; K1417-S1421 PolarHBondContact O-OG 3.22Å
1418I81.6Confident81.5Confident129.8 Ų129.856.6 Ų56.667%0.66629%0.294SS*.Hα-helixtrans-65.4-36177.1-58.2172000111.2S1416 F1420 S1421 S1422S1416-I1418 PolarHBondContact O-N 3.14Å; S1416-I1418 VanDerWaalsContact O-N 3.1Å; S1416-I1418 WeakPolarHBondContact OG-CB 3.2Å; S1416-I1418 PolarHBondContact OG-N 3.24Å; I1418-F1420 VanDerWaalsContact C-N 3.34Å; I1418-F1420 PolarHBondContact O-N 3.26Å; I1418-S1421 WeakPolarHBondContact CA-OG 3.33Å; I1418-S1421 PolarHBondContact O-N 3.23Å; I1418-S1421 PolarHBondContact O-OG 3.12Å; I1418-S1421 VanDerWaalsContact O-OG 3.05Å; I1418-S1422 WeakPolarHBondContact O-CB 3.34Å; I1418-S1422 PolarHBondContact O-N 3.22Å
1419Q83.4Confident81.6Confident66.4 Ų66.458.4 Ų58.431%0.3130%0.302SS..Hα-helixtrans-63-44176.2-92.1168.2-15.300111.4S1416 K1417 S1422 M1423S1416-Q1419 VanDerWaalsContact O-CB 3.3Å; S1416-Q1419 WeakPolarHBondContact O-CB 3.35Å; S1416-Q1419 PolarHBondContact O-N 3.14Å; S1416-Q1419 VanDerWaalsContact O-N 3.11Å; S1416-Q1419 WeakPolarHBondContact OG-CB 3.14Å; S1416-Q1419 VanDerWaalsContact OG-CG 3.29Å; S1416-Q1419 WeakPolarHBondContact OG-CG 3.46Å; S1416-Q1419 PolarHBondContact OG-N 3.19Å; S1416-Q1419 VanDerWaalsContact OG-N 3.11Å; S1416-Q1419 PolarHBondContact OG-OE1 3.2Å; S1416-Q1419 VanDerWaalsContact OG-OE1 3.04Å; K1417-Q1419 VanDerWaalsContact C-N 3.33Å; K1417-Q1419 PolarHBondContact O-N 3.12Å; Q1419-S1422 PolarHBondContact O-N 3.09Å; Q1419-M1423 HydrophobicContact CG-SD 3.98Å; Q1419-M1423 WeakPolarHBondContact O-CB 3.36Å; Q1419-M1423 VanDerWaalsContact O-CG 3.26Å; Q1419-M1423 WeakPolarHBondContact O-CG 3.38Å; Q1419-M1423 PolarHBondContact O-N 3.19Å
1420F84.4Confident81.6Confident3.4 Ų3.456.8 Ų56.82%0.01529%0.294CS..Hα-helixtrans-62.5-47.6177.1-73.2-60.9000112.6R1357 C1360 L1361 I1397 L1410 I1415 S1416 K1417 I1418 S1422 M1423 R1424R1357-F1420 HydrophobicContact CB-CE2 4.28Å; R1357-F1420 HydrophobicContact CG-CD2 4.22Å; R1357-F1420 HydrophobicContact CG-CE2 4.15Å; C1360-F1420 HydrophobicContact CB-CB 4.28Å; C1360-F1420 PolarHBondContact SG-O 3.16Å; L1361-F1420 HydrophobicContact CB-CD1 4.47Å; L1361-F1420 HydrophobicContact CB-CE1 4Å; L1361-F1420 HydrophobicContact CD1-CE1 3.91Å; L1361-F1420 HydrophobicContact CG-CE1 4.39Å; I1397-F1420 HydrophobicContact CD1-CD1 4.42Å; I1397-F1420 HydrophobicContact CD1-CE1 3.96Å; I1397-F1420 HydrophobicContact CD1-CZ 4.29Å; I1397-F1420 HydrophobicContact CG2-CE1 4.45Å; I1397-F1420 HydrophobicContact CG2-CZ 4.4Å; L1410-F1420 HydrophobicContact CD2-CZ 4.25Å; I1415-F1420 HydrophobicContact CG2-CD2 4.21Å; I1415-F1420 HydrophobicContact CG2-CE1 4.4Å; I1415-F1420 HydrophobicContact CG2-CE2 3.29Å; I1415-F1420 HydrophobicContact CG2-CZ 3.55Å; I1415-F1420 VanDerWaalsContact CG2-CZ 3.41Å; S1416-F1420 PolarHBondContact O-N 3.32Å; K1417-F1420 PolarHBondContact O-N 3.21Å; I1418-F1420 VanDerWaalsContact C-N 3.34Å; I1418-F1420 PolarHBondContact O-N 3.26Å; F1420-S1422 VanDerWaalsContact C-N 3.33Å; F1420-S1422 PolarHBondContact O-N 3.1Å; F1420-M1423 HydrophobicContact CD1-CE 3.57Å; F1420-M1423 HydrophobicContact CE1-CE 4.04Å; F1420-M1423 HydrophobicContact CG-CE 4.33Å; F1420-M1423 PolarHBondContact O-N 3.05Å; F1420-R1424 WeakPolarHBondContact O-CB 3.35Å; F1420-R1424 PolarHBondContact O-N 3.25Å
1421S84.4Confident81.5Confident39 Ų3959.1 Ų59.127%0.27331%0.305SS..Hα-helixtrans-61.8-42.8177.444.10000111.9K1417 I1418 R1424 E1425K1417-S1421 PolarHBondContact O-N 3.25Å; K1417-S1421 VanDerWaalsContact O-N 3.09Å; K1417-S1421 PolarHBondContact O-OG 3.22Å; I1418-S1421 WeakPolarHBondContact CA-OG 3.33Å; I1418-S1421 PolarHBondContact O-N 3.23Å; I1418-S1421 PolarHBondContact O-OG 3.12Å; I1418-S1421 VanDerWaalsContact O-OG 3.05Å; S1421-R1424 PolarHBondContact O-N 3.18Å; S1421-E1425 WeakPolarHBondContact O-CB 3.38Å; S1421-E1425 WeakPolarHBondContact O-CG 3.38Å; S1421-E1425 PolarHBondContact O-N 3.29Å
1422S88.4Confident81.4Confident49.8 Ų49.859.9 Ų59.935%0.34831%0.31SS..Hα-helixtrans-63.6-45176.6-175.70000112.1I1418 Q1419 F1420 R1424 E1425 Q1426I1418-S1422 WeakPolarHBondContact O-CB 3.34Å; I1418-S1422 PolarHBondContact O-N 3.22Å; Q1419-S1422 PolarHBondContact O-N 3.09Å; F1420-S1422 VanDerWaalsContact C-N 3.33Å; F1420-S1422 PolarHBondContact O-N 3.1Å; S1422-R1424 VanDerWaalsContact C-N 3.34Å; S1422-R1424 PolarHBondContact O-N 3.14Å; S1422-E1425 PolarHBondContact O-N 3.17Å; S1422-Q1426 WeakPolarHBondContact O-CB 3.25Å; S1422-Q1426 VanDerWaalsContact O-CG 3.26Å; S1422-Q1426 WeakPolarHBondContact O-CG 3.36Å; S1422-Q1426 PolarHBondContact O-N 3.09Å; S1422-Q1426 PolarHBondContact OG-NE2 3.49Å
1423M88Confident81.6Confident1.6 Ų1.659.3 Ų59.31%0.00831%0.307CS..Hα-helixtrans-60.9-43.3175.6-72.9-176.9-47.900111.7V1364 V1390 N1393 F1394 I1397 Q1419 F1420 E1425 Q1426 L1427V1364-M1423 HydrophobicContact CG1-CB 4.33Å; V1364-M1423 HydrophobicContact CG1-CE 4.06Å; V1364-M1423 HydrophobicContact CG1-SD 4.44Å; V1364-M1423 HydrophobicContact CG2-CB 4.17Å; V1390-M1423 HydrophobicContact CG1-CB 4.02Å; V1390-M1423 HydrophobicContact CG1-CE 3.99Å; V1390-M1423 HydrophobicContact CG1-CG 3.98Å; V1390-M1423 HydrophobicContact CG1-SD 4.39Å; N1393-M1423 HydrophobicContact CB-CE 4.31Å; N1393-M1423 HydrophobicContact CB-CG 4.35Å; N1393-M1423 HydrophobicContact CB-SD 3.77Å; F1394-M1423 HydrophobicContact CB-CE 3.67Å; F1394-M1423 HydrophobicContact CB-SD 4.24Å; F1394-M1423 HydrophobicContact CD2-CE 4.1Å; F1394-M1423 HydrophobicContact CG-CE 4.39Å; I1397-M1423 HydrophobicContact CD1-CE 3.69Å; I1397-M1423 VanDerWaalsContact CD1-CE 3.42Å; I1397-M1423 HydrophobicContact CD1-SD 4.17Å; Q1419-M1423 HydrophobicContact CG-SD 3.98Å; Q1419-M1423 WeakPolarHBondContact O-CB 3.36Å; Q1419-M1423 VanDerWaalsContact O-CG 3.26Å; Q1419-M1423 WeakPolarHBondContact O-CG 3.38Å; Q1419-M1423 PolarHBondContact O-N 3.19Å; F1420-M1423 HydrophobicContact CD1-CE 3.57Å; F1420-M1423 HydrophobicContact CE1-CE 4.04Å; F1420-M1423 HydrophobicContact CG-CE 4.33Å; F1420-M1423 PolarHBondContact O-N 3.05Å; M1423-E1425 PolarHBondContact O-N 3.46Å; M1423-Q1426 PolarHBondContact O-N 3.22Å; M1423-L1427 WeakPolarHBondContact O-CB 3.41Å; M1423-L1427 VanDerWaalsContact O-CG 3.27Å; M1423-L1427 WeakPolarHBondContact O-CG 3.39Å; M1423-L1427 PolarHBondContact O-N 3.22Å
1424R87.1Confident81.9Confident93.6 Ų93.653.3 Ų53.335%0.35327%0.268SS..Hα-helixtrans-60.4-46.9177.1-175.6-175.964.3-179.60.5111.8E1363 V1364 R1367 F1420 S1421 S1422 L1427 L1428E1363-R1424 WeakPolarHBondContact OE2-CD 3.34Å; E1363-R1424 IonicContact OE2-NH1 2.66Å; V1364-R1424 HydrophobicContact CG2-CB 4.11Å; R1367-R1424 PolarHBondContact NH1-O 3.42Å; F1420-R1424 WeakPolarHBondContact O-CB 3.35Å; F1420-R1424 PolarHBondContact O-N 3.25Å; S1421-R1424 PolarHBondContact O-N 3.18Å; S1422-R1424 VanDerWaalsContact C-N 3.34Å; S1422-R1424 PolarHBondContact O-N 3.14Å; R1424-L1427 PolarHBondContact O-N 3.09Å; R1424-L1428 WeakPolarHBondContact O-CB 3.41Å; R1424-L1428 PolarHBondContact O-N 3.14Å
1425E88.6Confident82Confident112 Ų11250.9 Ų50.952%0.52326%0.255SS..Hα-helixtrans-64.7-45.1177.5-75.2173.5-167.500112.1S1421 S1422 M1423 L1427 L1428 E1429S1421-E1425 WeakPolarHBondContact O-CB 3.38Å; S1421-E1425 WeakPolarHBondContact O-CG 3.38Å; S1421-E1425 PolarHBondContact O-N 3.29Å; S1422-E1425 PolarHBondContact O-N 3.17Å; M1423-E1425 PolarHBondContact O-N 3.46Å; E1425-L1427 VanDerWaalsContact C-N 3.35Å; E1425-L1427 PolarHBondContact O-N 3.27Å; E1425-L1428 WeakPolarHBondContact O-CB 3.35Å; E1425-L1428 PolarHBondContact O-N 3.26Å; E1425-L1428 VanDerWaalsContact O-N 3.15Å; E1425-E1429 WeakPolarHBondContact O-CG 3.44Å; E1425-E1429 PolarHBondContact O-N 3.2Å
1426Q87.9Confident82.1Confident64.6 Ų64.656.6 Ų56.630%0.30228%0.278SS..Hα-helixtrans-64.6-39.1178.5-69.6-76.6-27.500111.9V1390 S1422 M1423 L1428 E1429 C1430V1390-Q1426 HydrophobicContact CG2-CB 3.49Å; V1390-Q1426 HydrophobicContact CG2-CG 4.29Å; V1390-Q1426 VanDerWaalsContact CG2-OE1 3.22Å; S1422-Q1426 WeakPolarHBondContact O-CB 3.25Å; S1422-Q1426 VanDerWaalsContact O-CG 3.26Å; S1422-Q1426 WeakPolarHBondContact O-CG 3.36Å; S1422-Q1426 PolarHBondContact O-N 3.09Å; S1422-Q1426 PolarHBondContact OG-NE2 3.49Å; M1423-Q1426 PolarHBondContact O-N 3.22Å; Q1426-L1428 VanDerWaalsContact C-N 3.33Å; Q1426-E1429 PolarHBondContact O-N 3.06Å; Q1426-C1430 WeakPolarHBondContact O-CB 3.36Å; Q1426-C1430 PolarHBondContact O-N 3.32Å; Q1426-C1430 PolarHBondContact O-SG 3.2Å
1427L86.7Confident82Confident0 Ų057.2 Ų57.20%027%0.273CS..Hα-helixtrans-66-37.8173.4-72.2168.6000111.8V1364 R1367 W1368 L1371 F1387 V1390 M1423 R1424 E1425 E1429 C1430 Q1431V1364-L1427 HydrophobicContact CB-CD1 4.2Å; V1364-L1427 HydrophobicContact CG1-CD1 3.77Å; V1364-L1427 HydrophobicContact CG2-CD1 4.29Å; V1364-L1427 WeakPolarHBondContact O-CD1 3.38Å; R1367-L1427 HydrophobicContact CB-CB 4.26Å; R1367-L1427 HydrophobicContact CB-CD1 4.16Å; W1368-L1427 HydrophobicContact CB-CD1 4.4Å; W1368-L1427 HydrophobicContact CB-CD2 4.39Å; L1371-L1427 HydrophobicContact CD1-CB 4.42Å; L1371-L1427 HydrophobicContact CD1-CD2 3.86Å; F1387-L1427 HydrophobicContact CD2-CD2 4.11Å; F1387-L1427 HydrophobicContact CE2-CD2 3.92Å; V1390-L1427 HydrophobicContact CG1-CD1 3.98Å; V1390-L1427 HydrophobicContact CG1-CD2 3.93Å; V1390-L1427 HydrophobicContact CG1-CG 3.81Å; M1423-L1427 WeakPolarHBondContact O-CB 3.41Å; M1423-L1427 VanDerWaalsContact O-CG 3.27Å; M1423-L1427 WeakPolarHBondContact O-CG 3.39Å; M1423-L1427 PolarHBondContact O-N 3.22Å; R1424-L1427 PolarHBondContact O-N 3.09Å; E1425-L1427 VanDerWaalsContact C-N 3.35Å; E1425-L1427 PolarHBondContact O-N 3.27Å; L1427-E1429 VanDerWaalsContact C-N 3.31Å; L1427-E1429 PolarHBondContact O-N 3.2Å; L1427-C1430 PolarHBondContact O-N 3.27Å; L1427-Q1431 WeakPolarHBondContact O-CB 3.42Å; L1427-Q1431 PolarHBondContact O-N 3.24Å
1428L84.4Confident81.6Confident58.6 Ų58.652.5 Ų52.531%0.30725%0.253SS..Hα-helixtrans-63.2-43.9174.7-173.371.2000111.2R1424 E1425 Q1426 C1430 Q1431 K1432R1424-L1428 WeakPolarHBondContact O-CB 3.41Å; R1424-L1428 PolarHBondContact O-N 3.14Å; E1425-L1428 WeakPolarHBondContact O-CB 3.35Å; E1425-L1428 PolarHBondContact O-N 3.26Å; E1425-L1428 VanDerWaalsContact O-N 3.15Å; Q1426-L1428 VanDerWaalsContact C-N 3.33Å; L1428-C1430 VanDerWaalsContact C-N 3.34Å; L1428-C1430 PolarHBondContact O-N 2.89Å; L1428-Q1431 WeakPolarHBondContact O-CB 3.45Å; L1428-Q1431 PolarHBondContact O-N 3.05Å; L1428-K1432 WeakPolarHBondContact O-CG 3.35Å; L1428-K1432 PolarHBondContact O-N 3.13Å
1429E85.3Confident80.7Confident81.4 Ų81.450.3 Ų50.338%0.3824%0.24SC..Hα-helixtrans-65.7-38.7174.9-71.6-59.113000112.1E1425 Q1426 L1427 Q1431 K1432 A1433E1425-E1429 WeakPolarHBondContact O-CG 3.44Å; E1425-E1429 PolarHBondContact O-N 3.2Å; Q1426-E1429 PolarHBondContact O-N 3.06Å; L1427-E1429 VanDerWaalsContact C-N 3.31Å; L1427-E1429 PolarHBondContact O-N 3.2Å; E1429-Q1431 VanDerWaalsContact C-N 3.33Å; E1429-Q1431 PolarHBondContact O-N 3.34Å; E1429-K1432 PolarHBondContact O-N 2.99Å; E1429-K1432 WeakPolarHBondContact OE1-CD 3.34Å; E1429-K1432 IonicContact OE1-NZ 3.15Å; E1429-K1432 PolarHBondContact OE1-NZ 3.15Å; E1429-A1433 VanDerWaalsContact O-CB 3.29Å; E1429-A1433 WeakPolarHBondContact O-CB 3.31Å; E1429-A1433 PolarHBondContact O-N 3.13Å
1430C84Confident79.8Confident0 Ų052.6 Ų52.60%025%0.249CC..Hα-helixtrans-61.8-40.7172.5-68.10000111.5L1371 F1375 Q1426 L1427 L1428 A1433 L1434L1371-C1430 HydrophobicContact CD1-CB 4.09Å; F1375-C1430 HydrophobicContact CE2-CB 4.13Å; F1375-C1430 HydrophobicContact CZ-CB 4.02Å; Q1426-C1430 WeakPolarHBondContact O-CB 3.36Å; Q1426-C1430 PolarHBondContact O-N 3.32Å; Q1426-C1430 PolarHBondContact O-SG 3.2Å; L1427-C1430 PolarHBondContact O-N 3.27Å; L1428-C1430 VanDerWaalsContact C-N 3.34Å; L1428-C1430 PolarHBondContact O-N 2.89Å; C1430-A1433 PolarHBondContact O-N 3.14Å; C1430-L1434 VanDerWaalsContact O-CB 3.31Å; C1430-L1434 WeakPolarHBondContact O-CB 3.39Å; C1430-L1434 PolarHBondContact O-N 3Å
1431Q78.3Confident78.5Confident47.2 Ų47.254.8 Ų54.822%0.22126%0.262CS..Hα-helixtrans-66.3-42175.8-171.51795.400111.7Y1370 L1371 L1427 L1428 E1429 A1433 L1434 N1435 D1459Y1370-Q1431 HydrophobicContact CE1-CG 4.4Å; L1371-Q1431 HydrophobicContact CD1-CB 4.34Å; L1371-Q1431 HydrophobicContact CD2-CB 4.42Å; L1427-Q1431 WeakPolarHBondContact O-CB 3.42Å; L1427-Q1431 PolarHBondContact O-N 3.24Å; L1428-Q1431 WeakPolarHBondContact O-CB 3.45Å; L1428-Q1431 PolarHBondContact O-N 3.05Å; E1429-Q1431 VanDerWaalsContact C-N 3.33Å; E1429-Q1431 PolarHBondContact O-N 3.34Å; Q1431-A1433 VanDerWaalsContact C-N 3.3Å; Q1431-A1433 PolarHBondContact O-N 2.99Å; Q1431-L1434 WeakPolarHBondContact O-CB 3.4Å; Q1431-L1434 PolarHBondContact O-N 3.13Å; Q1431-N1435 WeakPolarHBondContact O-CB 3.34Å; Q1431-N1435 VanDerWaalsContact O-CG 3.3Å; Q1431-N1435 PolarHBondContact O-N 3.18Å; Q1431-D1459 PolarHBondContact NE2-OD1 3.42Å
1432K79.4Confident77.2Confident93 Ų9353.3 Ų53.340%0.40425%0.251SS..Hα-helixtrans-61.7-43.4173.3-72.4176.3-171.31680111.8L1428 E1429 L1434 N1435 Y1436L1428-K1432 WeakPolarHBondContact O-CG 3.35Å; L1428-K1432 PolarHBondContact O-N 3.13Å; E1429-K1432 PolarHBondContact O-N 2.99Å; E1429-K1432 WeakPolarHBondContact OE1-CD 3.34Å; E1429-K1432 IonicContact OE1-NZ 3.15Å; E1429-K1432 PolarHBondContact OE1-NZ 3.15Å; K1432-L1434 VanDerWaalsContact C-N 3.29Å; K1432-L1434 PolarHBondContact O-N 3.21Å; K1432-N1435 PolarHBondContact O-N 3.31Å; K1432-Y1436 VanDerWaalsContact O-CB 3.26Å; K1432-Y1436 WeakPolarHBondContact O-CB 3.35Å; K1432-Y1436 PolarHBondContact O-N 2.93Å
1433A79.4Confident75.7Confident19.4 Ų19.451.8 Ų51.816%0.1624%0.238CC..Hα-helixtrans-62.9-39.5176.500000111.6D1383 E1429 C1430 Q1431 Y1436 Y1437D1383-A1433 HydrophobicContact CB-CB 4.46Å; D1383-A1433 WeakPolarHBondContact OD2-CB 3.45Å; E1429-A1433 VanDerWaalsContact O-CB 3.29Å; E1429-A1433 WeakPolarHBondContact O-CB 3.31Å; E1429-A1433 PolarHBondContact O-N 3.13Å; C1430-A1433 PolarHBondContact O-N 3.14Å; Q1431-A1433 VanDerWaalsContact C-N 3.3Å; Q1431-A1433 PolarHBondContact O-N 2.99Å; A1433-Y1436 CarbonylContact O-C 3.58Å; A1433-Y1436 PolarHBondContact O-N 3.12Å; A1433-Y1437 VanDerWaalsContact O-CB 3.29Å; A1433-Y1437 WeakPolarHBondContact O-CB 3.28Å; A1433-Y1437 PolarHBondContact O-N 3.32Å
1434L76.5Confident74.2Confident0.8 Ų0.858.9 Ų58.90%0.00427%0.269CS..Hα-helixtrans-64.8-46.5174.2-177.165.1000111.9Y1370 L1371 I1374 L1380 C1430 Q1431 K1432 Y1436 Y1437 L1438 L1462Y1370-L1434 HydrophobicContact CE1-CD2 3.96Å; L1371-L1434 HydrophobicContact CD2-CD2 3.7Å; I1374-L1434 HydrophobicContact CD1-CD2 3.85Å; I1374-L1434 HydrophobicContact CG2-CD1 3.83Å; I1374-L1434 HydrophobicContact CG2-CD2 4.27Å; L1380-L1434 HydrophobicContact CD1-CB 4.29Å; L1380-L1434 HydrophobicContact CD1-CD1 3.64Å; C1430-L1434 VanDerWaalsContact O-CB 3.31Å; C1430-L1434 WeakPolarHBondContact O-CB 3.39Å; C1430-L1434 PolarHBondContact O-N 3Å; Q1431-L1434 WeakPolarHBondContact O-CB 3.4Å; Q1431-L1434 PolarHBondContact O-N 3.13Å; K1432-L1434 VanDerWaalsContact C-N 3.29Å; K1432-L1434 PolarHBondContact O-N 3.21Å; L1434-Y1436 VanDerWaalsContact C-N 3.32Å; L1434-Y1436 PolarHBondContact O-N 3.14Å; L1434-Y1437 CarbonylContact O-C 3.54Å; L1434-Y1437 WeakPolarHBondContact O-CB 3.34Å; L1434-Y1437 PolarHBondContact O-N 3.09Å; L1434-Y1437 VanDerWaalsContact O-N 3.12Å; L1434-L1438 HydrophobicContact CD1-CD1 4.12Å; L1434-L1438 HydrophobicContact CD1-CG 4.16Å; L1434-L1438 HydrophobicContact CG-CD1 4.09Å; L1434-L1438 HydrophobicContact CG-CG 4.49Å; L1434-L1438 WeakPolarHBondContact O-CB 3.3Å; L1434-L1438 WeakPolarHBondContact O-CG 3.34Å; L1434-L1438 PolarHBondContact O-N 3.19Å; L1434-L1462 HydrophobicContact CD1-CD2 3.87Å; L1434-L1462 HydrophobicContact CD2-CD1 3.61Å; L1434-L1462 VanDerWaalsContact CD2-CD1 3.45Å; L1434-L1462 HydrophobicContact CD2-CD2 3.89Å; L1434-L1462 HydrophobicContact CD2-CG 4.21Å; L1434-L1462 HydrophobicContact CG-CD1 4.07Å; L1434-L1462 HydrophobicContact CG-CD2 3.93Å; L1434-L1462 HydrophobicContact CG-CG 4.45Å
1435N71.3Confident73Confident56 Ų5659.9 Ų59.930%0.29928%0.278SS..Hα-helixtrans-60.7-42.6175.5-73.5-14.2000111.4Q1431 K1432 Y1437 L1438 E1439Q1431-N1435 WeakPolarHBondContact O-CB 3.34Å; Q1431-N1435 VanDerWaalsContact O-CG 3.3Å; Q1431-N1435 PolarHBondContact O-N 3.18Å; K1432-N1435 PolarHBondContact O-N 3.31Å; N1435-Y1437 VanDerWaalsContact C-N 3.33Å; N1435-Y1437 PolarHBondContact O-N 2.87Å; N1435-L1438 WeakPolarHBondContact O-CB 3.31Å; N1435-L1438 PolarHBondContact O-N 3.23Å; N1435-E1439 WeakPolarHBondContact O-CA 3.35Å; N1435-E1439 VanDerWaalsContact O-CB 3.27Å; N1435-E1439 WeakPolarHBondContact O-CB 3.36Å; N1435-E1439 PolarHBondContact O-N 3.17Å
1436Y73.6Confident71.9Confident127.4 Ų127.457.5 Ų57.550%0.527%0.265SS..Hα-helixtrans-64.8-37.7174.4179.8-98.3000112.4K1432 A1433 L1434 L1438 E1439 K1440 T1441K1432-Y1436 VanDerWaalsContact O-CB 3.26Å; K1432-Y1436 WeakPolarHBondContact O-CB 3.35Å; K1432-Y1436 PolarHBondContact O-N 2.93Å; A1433-Y1436 CarbonylContact O-C 3.58Å; A1433-Y1436 PolarHBondContact O-N 3.12Å; L1434-Y1436 VanDerWaalsContact C-N 3.32Å; L1434-Y1436 PolarHBondContact O-N 3.14Å; Y1436-L1438 VanDerWaalsContact C-N 3.34Å; Y1436-E1439 PolarHBondContact O-N 3.04Å; Y1436-K1440 HydrophobicContact CD1-CB 4.46Å; Y1436-K1440 HydrophobicContact CD2-CB 4.31Å; Y1436-K1440 HydrophobicContact CD2-CD 4.08Å; Y1436-K1440 HydrophobicContact CE1-CB 4.42Å; Y1436-K1440 HydrophobicContact CE1-CD 3.92Å; Y1436-K1440 HydrophobicContact CE2-CB 4.17Å; Y1436-K1440 HydrophobicContact CE2-CD 3.77Å; Y1436-K1440 HydrophobicContact CE2-CG 4.3Å; Y1436-K1440 HydrophobicContact CG-CB 4.37Å; Y1436-K1440 VanDerWaalsContact CZ-CD 3.46Å; Y1436-K1440 WeakPolarHBondContact O-CA 3.46Å; Y1436-K1440 VanDerWaalsContact O-CB 3.28Å; Y1436-K1440 WeakPolarHBondContact O-CB 3.34Å; Y1436-K1440 PolarHBondContact O-N 3.31Å; Y1436-K1440 VanDerWaalsContact OH-CD 3.3Å; Y1436-K1440 WeakPolarHBondContact OH-CD 3.35Å; Y1436-K1440 WeakPolarHBondContact OH-CE 3.34Å; Y1436-K1440 PolarHBondContact OH-NZ 3.14Å; Y1436-T1441 PolarHBondContact O-N 3.07Å
1437Y72.5Confident71.1Confident57 Ų5754.5 Ų54.522%0.22425%0.251CS..Hα-helixtrans-64.6-44.6174176.8-95.5000111.4V1379 L1380 A1433 L1434 N1435 E1439 T1441 Y1442V1379-Y1437 HydrophobicContact CG1-CD1 4.16Å; V1379-Y1437 HydrophobicContact CG1-CE1 3.5Å; V1379-Y1437 VanDerWaalsContact CG1-CE1 3.43Å; L1380-Y1437 HydrophobicContact CD1-CD1 4.32Å; L1380-Y1437 HydrophobicContact CD1-CG 4.24Å; L1380-Y1437 HydrophobicContact CD2-CD1 4.28Å; L1380-Y1437 HydrophobicContact CD2-CD2 3.95Å; L1380-Y1437 HydrophobicContact CD2-CE2 4.27Å; L1380-Y1437 HydrophobicContact CD2-CG 4.03Å; L1380-Y1437 HydrophobicContact CG-CD1 4.19Å; L1380-Y1437 HydrophobicContact CG-CD2 4.3Å; L1380-Y1437 HydrophobicContact CG-CG 4.17Å; A1433-Y1437 VanDerWaalsContact O-CB 3.29Å; A1433-Y1437 WeakPolarHBondContact O-CB 3.28Å; A1433-Y1437 PolarHBondContact O-N 3.32Å; L1434-Y1437 CarbonylContact O-C 3.54Å; L1434-Y1437 WeakPolarHBondContact O-CB 3.34Å; L1434-Y1437 PolarHBondContact O-N 3.09Å; L1434-Y1437 VanDerWaalsContact O-N 3.12Å; N1435-Y1437 VanDerWaalsContact C-N 3.33Å; N1435-Y1437 PolarHBondContact O-N 2.87Å; Y1437-E1439 VanDerWaalsContact C-N 3.34Å; Y1437-E1439 PolarHBondContact O-N 3.2Å; Y1437-T1441 HydrophobicContact CD2-CG2 4.24Å; Y1437-T1441 HydrophobicContact CE2-CG2 3.81Å; Y1437-T1441 CarbonylContact O-C 3.54Å; Y1437-T1441 WeakPolarHBondContact O-CB 3.3Å; Y1437-T1441 PolarHBondContact O-N 3.15Å; Y1437-T1441 VanDerWaalsContact O-N 3.1Å; Y1437-Y1442 HydrophobicContact CE1-CD2 4.46Å; Y1437-Y1442 WeakPolarHBondContact O-CB 3.23Å; Y1437-Y1442 PolarHBondContact O-N 3.23Å
1438L67.7Low70.2Confident2.4 Ų2.457.4 Ų57.41%0.01327%0.271CS..Iπ-helixtrans-58.9-44.6173.3-72174.8000111.2L1434 N1435 Y1436 K1440 Y1442 H1443 D1458 L1461 L1462 L1465L1434-L1438 HydrophobicContact CD1-CD1 4.12Å; L1434-L1438 HydrophobicContact CD1-CG 4.16Å; L1434-L1438 HydrophobicContact CG-CD1 4.09Å; L1434-L1438 HydrophobicContact CG-CG 4.49Å; L1434-L1438 WeakPolarHBondContact O-CB 3.3Å; L1434-L1438 WeakPolarHBondContact O-CG 3.34Å; L1434-L1438 PolarHBondContact O-N 3.19Å; N1435-L1438 WeakPolarHBondContact O-CB 3.31Å; N1435-L1438 PolarHBondContact O-N 3.23Å; Y1436-L1438 VanDerWaalsContact C-N 3.34Å; L1438-K1440 PolarHBondContact O-N 3.25Å; L1438-Y1442 HydrophobicContact CD2-CD1 4.24Å; L1438-Y1442 HydrophobicContact CD2-CD2 4.22Å; L1438-Y1442 HydrophobicContact CD2-CE1 4.49Å; L1438-Y1442 HydrophobicContact CD2-CG 4.09Å; L1438-Y1442 CarbonylContact O-C 3.56Å; L1438-Y1442 VanDerWaalsContact O-CB 3.29Å; L1438-Y1442 WeakPolarHBondContact O-CB 3.42Å; L1438-Y1442 PolarHBondContact O-N 2.96Å; L1438-H1443 WeakPolarHBondContact O-CB 3.41Å; L1438-H1443 PolarHBondContact O-CD2 3.22Å; L1438-H1443 PolarHBondContact O-N 3.02Å; L1438-H1443 VanDerWaalsContact O-N 3.11Å; L1438-D1458 HydrophobicContact CD1-CB 4.07Å; L1438-L1461 HydrophobicContact CD2-CD2 4.2Å; L1438-L1462 HydrophobicContact CD1-CD1 3.89Å; L1438-L1462 VanDerWaalsContact CD1-CD1 3.48Å; L1438-L1462 HydrophobicContact CD1-CD2 3.86Å; L1438-L1462 HydrophobicContact CD1-CG 3.73Å; L1438-L1462 HydrophobicContact CD2-CD2 3.9Å; L1438-L1462 HydrophobicContact CD2-CG 4.25Å; L1438-L1462 HydrophobicContact CG-CD1 4.41Å; L1438-L1462 HydrophobicContact CG-CD2 4.09Å; L1438-L1462 HydrophobicContact CG-CG 4.28Å; L1438-L1465 HydrophobicContact CD2-CD1 4.33Å
1439E63.2Low69.7Low82.8 Ų82.859.9 Ų59.939%0.38728%0.281SS..Iπ-helixtrans-73.3-40.3-176-164.3-177178.200114N1435 Y1436 Y1437 H1443 R1792 R2061N1435-E1439 WeakPolarHBondContact O-CA 3.35Å; N1435-E1439 VanDerWaalsContact O-CB 3.27Å; N1435-E1439 WeakPolarHBondContact O-CB 3.36Å; N1435-E1439 PolarHBondContact O-N 3.17Å; Y1436-E1439 PolarHBondContact O-N 3.04Å; Y1437-E1439 VanDerWaalsContact C-N 3.34Å; Y1437-E1439 PolarHBondContact O-N 3.2Å; E1439-H1443 WeakPolarHBondContact CA-CD2 3.39Å; E1439-H1443 VanDerWaalsContact O-CB 3.28Å; E1439-H1443 WeakPolarHBondContact O-CB 3.36Å; E1439-H1443 PolarHBondContact O-CD2 2.97Å; E1439-H1443 VanDerWaalsContact O-CD2 3.24Å; E1439-R1792 PolarHBondContact O-NH1 3.39Å; E1439-R1792 IonicContact OE1-CZ 3.78Å; E1439-R1792 IonicContact OE1-NH2 3.67Å; E1439-R1792 PolarHBondContact OE1-NH2 2.81Å; E1439-R2061 WeakPolarHBondContact OE1-CD 3.46Å; E1439-R2061 IonicContact OE1-CZ 2.79Å; E1439-R2061 IonicContact OE1-NE 3.84Å; E1439-R2061 IonicContact OE1-NH1 3.29Å; E1439-R2061 PolarHBondContact OE1-NH1 2.99Å
1440K64.3Low69.5Low114.8 Ų114.856.4 Ų56.450%0.49926%0.264SS..Iπ-helixtrans-102.1-44.9-171-166.7178.6-176.91750113.6Y1436 L1438 K1444Y1436-K1440 HydrophobicContact CD1-CB 4.46Å; Y1436-K1440 HydrophobicContact CD2-CB 4.31Å; Y1436-K1440 HydrophobicContact CD2-CD 4.08Å; Y1436-K1440 HydrophobicContact CE1-CB 4.42Å; Y1436-K1440 HydrophobicContact CE1-CD 3.92Å; Y1436-K1440 HydrophobicContact CE2-CB 4.17Å; Y1436-K1440 HydrophobicContact CE2-CD 3.77Å; Y1436-K1440 HydrophobicContact CE2-CG 4.3Å; Y1436-K1440 HydrophobicContact CG-CB 4.37Å; Y1436-K1440 VanDerWaalsContact CZ-CD 3.46Å; Y1436-K1440 WeakPolarHBondContact O-CA 3.46Å; Y1436-K1440 VanDerWaalsContact O-CB 3.28Å; Y1436-K1440 WeakPolarHBondContact O-CB 3.34Å; Y1436-K1440 PolarHBondContact O-N 3.31Å; Y1436-K1440 VanDerWaalsContact OH-CD 3.3Å; Y1436-K1440 WeakPolarHBondContact OH-CD 3.35Å; Y1436-K1440 WeakPolarHBondContact OH-CE 3.34Å; Y1436-K1440 PolarHBondContact OH-NZ 3.14Å; L1438-K1440 PolarHBondContact O-N 3.25Å; K1440-K1444 WeakPolarHBondContact O-CB 3.41Å
1441T57.4Low69.3Low48.8 Ų48.857.6 Ų57.630%0.29927%0.273SS..Iπ-helixtrans-92.1-52.2-173.9-46.80000110Y1436 Y1437 H1443 K1444 E1445Y1436-T1441 PolarHBondContact O-N 3.07Å; Y1437-T1441 HydrophobicContact CD2-CG2 4.24Å; Y1437-T1441 HydrophobicContact CE2-CG2 3.81Å; Y1437-T1441 CarbonylContact O-C 3.54Å; Y1437-T1441 WeakPolarHBondContact O-CB 3.3Å; Y1437-T1441 PolarHBondContact O-N 3.15Å; Y1437-T1441 VanDerWaalsContact O-N 3.1Å; T1441-H1443 PolarHBondContact O-N 3.1Å; T1441-K1444 WeakPolarHBondContact O-CB 3.12Å; T1441-K1444 PolarHBondContact O-N 3.01Å; T1441-K1444 VanDerWaalsContact O-N 3.1Å; T1441-E1445 WeakPolarHBondContact O-CB 3.49Å; T1441-E1445 WeakPolarHBondContact O-CG 3.41Å; T1441-E1445 PolarHBondContact O-N 3.12Å; T1441-E1445 VanDerWaalsContact O-N 3.1Å
1442Y58.2Low69.6Low8.2 Ų8.255.9 Ų55.93%0.03226%0.264CS..Iπ-helixtrans-70.1-41.2-176.3-167.3-90.1000112.9Y1437 L1438 K1444 E1445 K1446 R1447 F1453 L1461 L1465Y1437-Y1442 HydrophobicContact CE1-CD2 4.46Å; Y1437-Y1442 WeakPolarHBondContact O-CB 3.23Å; Y1437-Y1442 PolarHBondContact O-N 3.23Å; L1438-Y1442 HydrophobicContact CD2-CD1 4.24Å; L1438-Y1442 HydrophobicContact CD2-CD2 4.22Å; L1438-Y1442 HydrophobicContact CD2-CE1 4.49Å; L1438-Y1442 HydrophobicContact CD2-CG 4.09Å; L1438-Y1442 CarbonylContact O-C 3.56Å; L1438-Y1442 VanDerWaalsContact O-CB 3.29Å; L1438-Y1442 WeakPolarHBondContact O-CB 3.42Å; L1438-Y1442 PolarHBondContact O-N 2.96Å; Y1442-K1444 VanDerWaalsContact C-N 3.26Å; Y1442-K1444 PolarHBondContact O-N 3.12Å; Y1442-E1445 PolarHBondContact O-N 3.16Å; Y1442-K1446 HydrophobicContact CD1-CB 4.05Å; Y1442-K1446 HydrophobicContact CD2-CB 3.65Å; Y1442-K1446 VanDerWaalsContact CD2-CB 3.45Å; Y1442-K1446 HydrophobicContact CD2-CG 3.66Å; Y1442-K1446 HydrophobicContact CE1-CB 3.7Å; Y1442-K1446 HydrophobicContact CE1-CG 4.48Å; Y1442-K1446 HydrophobicContact CE2-CB 3.28Å; Y1442-K1446 HydrophobicContact CE2-CD 4.41Å; Y1442-K1446 HydrophobicContact CE2-CG 3.44Å; Y1442-K1446 VanDerWaalsContact CE2-CG 3.46Å; Y1442-K1446 HydrophobicContact CG-CB 4.01Å; Y1442-K1446 HydrophobicContact CG-CG 4.39Å; Y1442-K1446 VanDerWaalsContact CZ-CB 3.41Å; Y1442-K1446 WeakPolarHBondContact O-CA 3.38Å; Y1442-K1446 PolarHBondContact O-N 3.09Å; Y1442-R1447 HydrophobicContact CD1-CG 3.97Å; Y1442-R1447 HydrophobicContact CE1-CG 3.86Å; Y1442-R1447 PolarHBondContact O-N 3.13Å; Y1442-F1453 WeakPolarHBondContact OH-CD2 3.41Å; Y1442-F1453 WeakPolarHBondContact OH-CE2 3.38Å; Y1442-L1461 HydrophobicContact CD1-CD2 3.93Å; Y1442-L1461 HydrophobicContact CE1-CD1 3.95Å; Y1442-L1461 HydrophobicContact CE1-CD2 3.55Å; Y1442-L1461 HydrophobicContact CE1-CG 4.06Å; Y1442-L1461 WeakPolarHBondContact OH-CD1 3.33Å; Y1442-L1465 HydrophobicContact CD2-CD1 4.08Å; Y1442-L1465 HydrophobicContact CD2-CD2 4.4Å; Y1442-L1465 HydrophobicContact CE1-CD1 4.37Å; Y1442-L1465 HydrophobicContact CE2-CD1 3.63Å; Y1442-L1465 HydrophobicContact CE2-CD2 3.66Å; Y1442-L1465 VanDerWaalsContact CE2-CD2 3.5Å; Y1442-L1465 HydrophobicContact CE2-CG 4.12Å; Y1442-L1465 WeakPolarHBondContact OH-CD2 3.42Å
1443H56.7Low69.7Low18.6 Ų18.651.5 Ų51.59%0.08625%0.245CC..Hα-helixtrans-57.5-34.4173.5-111.7-69.7000112.8L1438 E1439 T1441 R1447 C1448 Y1454L1438-H1443 WeakPolarHBondContact O-CB 3.41Å; L1438-H1443 PolarHBondContact O-CD2 3.22Å; L1438-H1443 PolarHBondContact O-N 3.02Å; L1438-H1443 VanDerWaalsContact O-N 3.11Å; E1439-H1443 WeakPolarHBondContact CA-CD2 3.39Å; E1439-H1443 VanDerWaalsContact O-CB 3.28Å; E1439-H1443 WeakPolarHBondContact O-CB 3.36Å; E1439-H1443 PolarHBondContact O-CD2 2.97Å; E1439-H1443 VanDerWaalsContact O-CD2 3.24Å; T1441-H1443 PolarHBondContact O-N 3.1Å; H1443-R1447 PolarHBondContact CD2-NH1 3.11Å; H1443-R1447 VanDerWaalsContact CD2-NH1 3.25Å; H1443-R1447 PolarHBondContact CE1-NH1 3.1Å; H1443-R1447 VanDerWaalsContact ND1-CD 3.34Å; H1443-R1447 WeakPolarHBondContact ND1-CD 3.37Å; H1443-R1447 PolarHBondContact ND1-NH1 3.42Å; H1443-R1447 PolarHBondContact NE2-NH1 3.2Å; H1443-C1448 PolarHBondContact O-SG 3.02Å; H1443-Y1454 AromaticContact CE1-CD1 3.81Å; H1443-Y1454 AromaticContact CE1-CE1 3.36Å; H1443-Y1454 WeakPolarHBondContact CE1-CE1 3.27Å; H1443-Y1454 AromaticContact CE1-CZ 3.59Å; H1443-Y1454 AromaticContact ND1-CE1 3.54Å; H1443-Y1454 WeakPolarHBondContact ND1-CE1 3.39Å; H1443-Y1454 AromaticContact ND1-CZ 3.79Å; H1443-Y1454 PolarHBondContact ND1-OH 2.92Å
1444K55.1Low69.7Low151.2 Ų151.251.5 Ų51.566%0.65724%0.241SC*.Hα-helixtrans-77.5-40.4-177.7-152.4-179.7-179.6-173.70112K1440 T1441 Y1442 C1448K1440-K1444 WeakPolarHBondContact O-CB 3.41Å; T1441-K1444 WeakPolarHBondContact O-CB 3.12Å; T1441-K1444 PolarHBondContact O-N 3.01Å; T1441-K1444 VanDerWaalsContact O-N 3.1Å; Y1442-K1444 VanDerWaalsContact C-N 3.26Å; Y1442-K1444 PolarHBondContact O-N 3.12Å; K1444-C1448 WeakPolarHBondContact O-CB 3.47Å; K1444-C1448 PolarHBondContact O-SG 2.98Å; K1444-C1448 VanDerWaalsContact O-SG 3.38Å
1445E62.2Low69.7Low114.4 Ų114.453.2 Ų53.254%0.53525%0.248SC..Hα-helixtrans-102.5-42.1-169.5-66.7177.9-177.300113.4T1441 Y1442 Q1449T1441-E1445 WeakPolarHBondContact O-CB 3.49Å; T1441-E1445 WeakPolarHBondContact O-CG 3.41Å; T1441-E1445 PolarHBondContact O-N 3.12Å; T1441-E1445 VanDerWaalsContact O-N 3.1Å; Y1442-E1445 PolarHBondContact O-N 3.16Å; E1445-Q1449 VanDerWaalsContact O-CD 3.27Å; E1445-Q1449 VanDerWaalsContact O-CG 3.23Å; E1445-Q1449 WeakPolarHBondContact O-CG 3.39Å; E1445-Q1449 PolarHBondContact O-NE2 3.21Å
1446K65.8Low70Confident60.2 Ų60.250.8 Ų50.826%0.26224%0.236SC..THydrogen-bonded Turntrans-102.5-39.9-167-63.2-68.7-173.6176.40113.7Y1442 C1448 Q1449 F1450 W1521Y1442-K1446 HydrophobicContact CD1-CB 4.05Å; Y1442-K1446 HydrophobicContact CD2-CB 3.65Å; Y1442-K1446 VanDerWaalsContact CD2-CB 3.45Å; Y1442-K1446 HydrophobicContact CD2-CG 3.66Å; Y1442-K1446 HydrophobicContact CE1-CB 3.7Å; Y1442-K1446 HydrophobicContact CE1-CG 4.48Å; Y1442-K1446 HydrophobicContact CE2-CB 3.28Å; Y1442-K1446 HydrophobicContact CE2-CD 4.41Å; Y1442-K1446 HydrophobicContact CE2-CG 3.44Å; Y1442-K1446 VanDerWaalsContact CE2-CG 3.46Å; Y1442-K1446 HydrophobicContact CG-CB 4.01Å; Y1442-K1446 HydrophobicContact CG-CG 4.39Å; Y1442-K1446 VanDerWaalsContact CZ-CB 3.41Å; Y1442-K1446 WeakPolarHBondContact O-CA 3.38Å; Y1442-K1446 PolarHBondContact O-N 3.09Å; K1446-C1448 VanDerWaalsContact C-N 3.28Å; K1446-C1448 PolarHBondContact O-N 3.13Å; K1446-Q1449 WeakPolarHBondContact O-CB 3.29Å; K1446-Q1449 PolarHBondContact O-N 3.06Å; K1446-Q1449 VanDerWaalsContact O-N 3.11Å; K1446-F1450 PolarHBondContact O-N 3.23Å; K1446-F1450 VanDerWaalsContact O-N 3.13Å; K1446-W1521 HydrophobicContact CD-CH2 3.72Å; K1446-W1521 HydrophobicContact CD-CZ2 3.47Å; K1446-W1521 VanDerWaalsContact CD-CZ2 3.47Å; K1446-W1521 HydrophobicContact CG-CH2 4.36Å; K1446-W1521 HydrophobicContact CG-CZ2 4.37Å
1447R70.8Confident69.9Low2.2 Ų2.246.1 Ų46.11%0.00823%0.226CC..THydrogen-bonded Turntrans-65.6-31.1173.4-69.3-170.8168.6148.90.7112.5Y1442 H1443 Q1449 F1450 P1451 F1453 Y1454 D1458 R1741Y1442-R1447 HydrophobicContact CD1-CG 3.97Å; Y1442-R1447 HydrophobicContact CE1-CG 3.86Å; Y1442-R1447 PolarHBondContact O-N 3.13Å; H1443-R1447 PolarHBondContact CD2-NH1 3.11Å; H1443-R1447 VanDerWaalsContact CD2-NH1 3.25Å; H1443-R1447 PolarHBondContact CE1-NH1 3.1Å; H1443-R1447 VanDerWaalsContact ND1-CD 3.34Å; H1443-R1447 WeakPolarHBondContact ND1-CD 3.37Å; H1443-R1447 PolarHBondContact ND1-NH1 3.42Å; H1443-R1447 PolarHBondContact NE2-NH1 3.2Å; R1447-Q1449 VanDerWaalsContact C-N 3.31Å; R1447-Q1449 PolarHBondContact O-N 3.33Å; R1447-F1450 CarbonylContact O-C 3.47Å; R1447-F1450 PolarHBondContact O-N 3.11Å; R1447-F1450 VanDerWaalsContact O-O 3.13Å; R1447-P1451 VanDerWaalsContact O-CA 3.26Å; R1447-P1451 WeakPolarHBondContact O-CA 3.4Å; R1447-P1451 VanDerWaalsContact O-N 3.13Å; R1447-F1453 HydrophobicContact CG-CB 3.96Å; R1447-F1453 PolarHBondContact NE-O 3.26Å; R1447-F1453 VanDerWaalsContact NE-O 3.15Å; R1447-Y1454 HydrophobicContact CB-CD2 4.22Å; R1447-Y1454 HydrophobicContact CB-CE1 4.21Å; R1447-Y1454 HydrophobicContact CB-CE2 3.8Å; R1447-Y1454 WeakPolarHBondContact O-CE2 3.29Å; R1447-D1458 IonicContact CZ-OD1 3.21Å; R1447-D1458 IonicContact NH1-OD1 3.45Å; R1447-D1458 PolarHBondContact NH1-OD1 3.33Å; R1447-D1458 VanDerWaalsContact NH1-OD1 3.13Å; R1447-D1458 IonicContact NH2-OD1 3.17Å; R1447-D1458 PolarHBondContact NH2-OD1 3.16Å; R1447-R1741 VanDerWaalsContact CZ-CZ 3.43Å; R1447-R1741 VanDerWaalsContact NH1-NH1 3.13Å; R1447-R1741 VanDerWaalsContact NH2-NH2 3.11Å
1448C68.5Low69.9Low61.6 Ų61.646 Ų4642%0.41623%0.23SC..THydrogen-bonded Turntrans-69.2-28.1172-64.90000113H1443 K1444 K1446H1443-C1448 PolarHBondContact O-SG 3.02Å; K1444-C1448 WeakPolarHBondContact O-CB 3.47Å; K1444-C1448 PolarHBondContact O-SG 2.98Å; K1444-C1448 VanDerWaalsContact O-SG 3.38Å; K1446-C1448 VanDerWaalsContact C-N 3.28Å; K1446-C1448 PolarHBondContact O-N 3.13Å
1449Q73.6Confident70Confident109.8 Ų109.850.4 Ų50.451%0.51325%0.253SS..THydrogen-bonded Turntrans-72.4-39.9175.7-75.81742.300111.8E1445 K1446 R1447E1445-Q1449 VanDerWaalsContact O-CD 3.27Å; E1445-Q1449 VanDerWaalsContact O-CG 3.23Å; E1445-Q1449 WeakPolarHBondContact O-CG 3.39Å; E1445-Q1449 PolarHBondContact O-NE2 3.21Å; K1446-Q1449 WeakPolarHBondContact O-CB 3.29Å; K1446-Q1449 PolarHBondContact O-N 3.06Å; K1446-Q1449 VanDerWaalsContact O-N 3.11Å; R1447-Q1449 VanDerWaalsContact C-N 3.31Å; R1447-Q1449 PolarHBondContact O-N 3.33Å
1450F80.4Confident70.4Confident7.8 Ų7.848.1 Ų48.13%0.03424%0.243CC..SBendtrans-130.293.5174.8-169.3-117.7000111.5K1446 R1447 R1452 F1453 L1481 F1482 L1524K1446-F1450 PolarHBondContact O-N 3.23Å; K1446-F1450 VanDerWaalsContact O-N 3.13Å; R1447-F1450 CarbonylContact O-C 3.47Å; R1447-F1450 PolarHBondContact O-N 3.11Å; R1447-F1450 VanDerWaalsContact O-O 3.13Å; F1450-R1452 HydrophobicContact CD1-CB 4.13Å; F1450-R1452 HydrophobicContact CE1-CB 3.62Å; F1450-R1452 HydrophobicContact CE1-CG 4.11Å; F1450-R1452 HydrophobicContact CE2-CG 4.29Å; F1450-R1452 HydrophobicContact CZ-CB 3.9Å; F1450-R1452 VanDerWaalsContact CZ-CD 3.45Å; F1450-R1452 HydrophobicContact CZ-CG 3.85Å; F1450-R1452 PolarHBondContact O-N 3.07Å; F1450-R1452 VanDerWaalsContact O-N 3.07Å; F1450-F1453 HydrophobicContact CB-CD2 3.82Å; F1450-F1453 HydrophobicContact CB-CE2 3.79Å; F1450-F1453 AromaticContact CD1-CD1 3.9Å; F1450-F1453 HydrophobicContact CD1-CD1 4.15Å; F1450-F1453 AromaticContact CD1-CD2 3.87Å; F1450-F1453 HydrophobicContact CD1-CD2 3.87Å; F1450-F1453 AromaticContact CD1-CE1 3.88Å; F1450-F1453 HydrophobicContact CD1-CE1 4.04Å; F1450-F1453 AromaticContact CD1-CE2 3.76Å; F1450-F1453 HydrophobicContact CD1-CE2 3.76Å; F1450-F1453 AromaticContact CD1-CG 3.87Å; F1450-F1453 HydrophobicContact CD1-CG 4.06Å; F1450-F1453 AromaticContact CD1-CZ 3.85Å; F1450-F1453 HydrophobicContact CD1-CZ 3.85Å; F1450-F1453 HydrophobicContact CE1-CD1 4.38Å; F1450-F1453 HydrophobicContact CE1-CE1 4.31Å; F1450-F1453 HydrophobicContact CE1-CZ 4.29Å; F1450-F1453 HydrophobicContact CG-CD2 4.35Å; F1450-F1453 HydrophobicContact CG-CE2 4.24Å; F1450-F1453 HydrophobicContact CG-CZ 4.44Å; F1450-F1453 WeakPolarHBondContact O-CB 3.46Å; F1450-F1453 WeakPolarHBondContact O-CD2 3.33Å; F1450-F1453 PolarHBondContact O-N 3.08Å; F1450-F1453 VanDerWaalsContact O-N 3.13Å; F1450-L1481 HydrophobicContact CE1-CD1 4.41Å; F1450-L1481 HydrophobicContact CE1-CD2 4.17Å; F1450-F1482 HydrophobicContact CZ-CE2 4.3Å; F1450-F1482 AromaticContact CZ-CZ 3.88Å; F1450-F1482 HydrophobicContact CZ-CZ 3.95Å; F1450-L1524 HydrophobicContact CD1-CB 4.27Å; F1450-L1524 HydrophobicContact CD1-CD1 3.97Å; F1450-L1524 HydrophobicContact CD2-CB 4.24Å; F1450-L1524 HydrophobicContact CE1-CB 4.05Å; F1450-L1524 HydrophobicContact CE1-CD1 3.86Å; F1450-L1524 HydrophobicContact CE1-CD2 4.47Å; F1450-L1524 HydrophobicContact CE1-CG 4.38Å; F1450-L1524 HydrophobicContact CE2-CB 4Å; F1450-L1524 HydrophobicContact CG-CB 4.31Å; F1450-L1524 HydrophobicContact CG-CD1 4.47Å; F1450-L1524 HydrophobicContact CZ-CB 3.85Å; F1450-L1524 HydrophobicContact CZ-CD1 4.42Å
1451P80.5Confident70.8Confident26.2 Ų26.242.6 Ų42.617%0.1722%0.22CC..G310 helixtrans-60.8-18.2-172.6-2937.5000116R1447 F1453 Y1454 Q1748 C1749R1447-P1451 VanDerWaalsContact O-CA 3.26Å; R1447-P1451 WeakPolarHBondContact O-CA 3.4Å; R1447-P1451 VanDerWaalsContact O-N 3.13Å; P1451-F1453 PolarHBondContact O-N 2.98Å; P1451-F1453 VanDerWaalsContact O-N 3.15Å; P1451-Y1454 HydrophobicContact CB-CD2 4.39Å; P1451-Y1454 WeakPolarHBondContact O-CB 3.36Å; P1451-Y1454 VanDerWaalsContact O-CD2 3.25Å; P1451-Y1454 WeakPolarHBondContact O-CD2 3.38Å; P1451-Y1454 PolarHBondContact O-N 3.11Å; P1451-Y1454 VanDerWaalsContact O-N 3.07Å; P1451-Q1748 HydrophobicContact CB-CB 3.58Å; P1451-Q1748 HydrophobicContact CG-CB 3.73Å; P1451-C1749 VanDerWaalsContact C-SG 3.59Å; P1451-C1749 VanDerWaalsContact CB-SG 3.52Å; P1451-C1749 WeakPolarHBondContact CB-SG 3.25Å
1452R84.2Confident71.4Confident10.8 Ų10.840.7 Ų40.74%0.04121%0.208CC..G310 helixtrans-67.2-19.3177.4-56.6-173.3-174.1-117.7-7.4113.1F1450 Y1454 F1455 L1481 F1482 E1528 E1669F1450-R1452 HydrophobicContact CD1-CB 4.13Å; F1450-R1452 HydrophobicContact CE1-CB 3.62Å; F1450-R1452 HydrophobicContact CE1-CG 4.11Å; F1450-R1452 HydrophobicContact CE2-CG 4.29Å; F1450-R1452 HydrophobicContact CZ-CB 3.9Å; F1450-R1452 VanDerWaalsContact CZ-CD 3.45Å; F1450-R1452 HydrophobicContact CZ-CG 3.85Å; F1450-R1452 PolarHBondContact O-N 3.07Å; F1450-R1452 VanDerWaalsContact O-N 3.07Å; R1452-Y1454 PolarHBondContact O-N 3.15Å; R1452-Y1454 VanDerWaalsContact O-N 3.13Å; R1452-F1455 HydrophobicContact CB-CD2 4.37Å; R1452-F1455 WeakPolarHBondContact O-CD2 3.15Å; R1452-F1455 PolarHBondContact O-N 3.07Å; R1452-F1455 VanDerWaalsContact O-N 3.15Å; R1452-L1481 HydrophobicContact CB-CD2 4.43Å; R1452-L1481 VanDerWaalsContact CD-O 3.26Å; R1452-L1481 WeakPolarHBondContact CD-O 3.39Å; R1452-L1481 PolarHBondContact NH1-O 3.41Å; R1452-F1482 VanDerWaalsContact NH1-CE1 3.31Å; R1452-E1528 IonicContact CZ-OE2 2.98Å; R1452-E1528 IonicContact NE-OE2 3.33Å; R1452-E1528 PolarHBondContact NE-OE2 2.99Å; R1452-E1528 VanDerWaalsContact NE-OE2 3.09Å; R1452-E1528 VanDerWaalsContact NH2-CD 3.29Å; R1452-E1528 IonicContact NH2-OE1 3.35Å; R1452-E1528 IonicContact NH2-OE2 3.3Å; R1452-E1528 PolarHBondContact NH2-OE2 3.23Å; R1452-E1528 VanDerWaalsContact NH2-OE2 3.11Å; R1452-E1669 IonicContact CZ-OE1 2.87Å; R1452-E1669 VanDerWaalsContact CZ-OE1 3.26Å; R1452-E1669 IonicContact NH1-OE1 3.25Å; R1452-E1669 PolarHBondContact NH1-OE1 3.16Å; R1452-E1669 VanDerWaalsContact NH2-CD 3.26Å; R1452-E1669 IonicContact NH2-OE1 3.17Å; R1452-E1669 PolarHBondContact NH2-OE1 3.12Å; R1452-E1669 IonicContact NH2-OE2 3.53Å; R1452-E1669 PolarHBondContact NH2-OE2 3.37Å
1453F81.7Confident72Confident1 Ų141.4 Ų41.40%0.00422%0.216CC..G310 helixtrans-65.1-12.3173.5-69.3-41.4000114.1Y1442 R1447 F1450 P1451 F1455 V1456 L1461 I1464 L1481 W1521 L1524 R1741Y1442-F1453 WeakPolarHBondContact OH-CD2 3.41Å; Y1442-F1453 WeakPolarHBondContact OH-CE2 3.38Å; R1447-F1453 HydrophobicContact CG-CB 3.96Å; R1447-F1453 PolarHBondContact NE-O 3.26Å; R1447-F1453 VanDerWaalsContact NE-O 3.15Å; F1450-F1453 HydrophobicContact CB-CD2 3.82Å; F1450-F1453 HydrophobicContact CB-CE2 3.79Å; F1450-F1453 AromaticContact CD1-CD1 3.9Å; F1450-F1453 HydrophobicContact CD1-CD1 4.15Å; F1450-F1453 AromaticContact CD1-CD2 3.87Å; F1450-F1453 HydrophobicContact CD1-CD2 3.87Å; F1450-F1453 AromaticContact CD1-CE1 3.88Å; F1450-F1453 HydrophobicContact CD1-CE1 4.04Å; F1450-F1453 AromaticContact CD1-CE2 3.76Å; F1450-F1453 HydrophobicContact CD1-CE2 3.76Å; F1450-F1453 AromaticContact CD1-CG 3.87Å; F1450-F1453 HydrophobicContact CD1-CG 4.06Å; F1450-F1453 AromaticContact CD1-CZ 3.85Å; F1450-F1453 HydrophobicContact CD1-CZ 3.85Å; F1450-F1453 HydrophobicContact CE1-CD1 4.38Å; F1450-F1453 HydrophobicContact CE1-CE1 4.31Å; F1450-F1453 HydrophobicContact CE1-CZ 4.29Å; F1450-F1453 HydrophobicContact CG-CD2 4.35Å; F1450-F1453 HydrophobicContact CG-CE2 4.24Å; F1450-F1453 HydrophobicContact CG-CZ 4.44Å; F1450-F1453 WeakPolarHBondContact O-CB 3.46Å; F1450-F1453 WeakPolarHBondContact O-CD2 3.33Å; F1450-F1453 PolarHBondContact O-N 3.08Å; F1450-F1453 VanDerWaalsContact O-N 3.13Å; P1451-F1453 PolarHBondContact O-N 2.98Å; P1451-F1453 VanDerWaalsContact O-N 3.15Å; F1453-F1455 PolarHBondContact O-N 3.08Å; F1453-V1456 PolarHBondContact O-N 2.96Å; F1453-L1461 HydrophobicContact CB-CD1 4.17Å; F1453-L1461 HydrophobicContact CD1-CD1 3.59Å; F1453-L1461 HydrophobicContact CD2-CD1 4.33Å; F1453-L1461 HydrophobicContact CE1-CD1 4Å; F1453-L1461 HydrophobicContact CE2-CD1 4.47Å; F1453-L1461 HydrophobicContact CG-CD1 3.82Å; F1453-L1461 HydrophobicContact CZ-CD1 4.43Å; F1453-I1464 HydrophobicContact CE1-CD1 4.42Å; F1453-I1464 HydrophobicContact CE1-CG2 4.31Å; F1453-L1481 HydrophobicContact CD1-CD2 3.62Å; F1453-L1481 HydrophobicContact CE1-CD1 4.13Å; F1453-L1481 HydrophobicContact CE1-CD2 3.78Å; F1453-W1521 HydrophobicContact CE2-CB 4.42Å; F1453-W1521 HydrophobicContact CE2-CG 4.36Å; F1453-W1521 HydrophobicContact CZ-CB 4.45Å; F1453-W1521 HydrophobicContact CZ-CD2 4.34Å; F1453-W1521 HydrophobicContact CZ-CE3 4.26Å; F1453-W1521 HydrophobicContact CZ-CG 4.38Å; F1453-L1524 HydrophobicContact CE1-CD1 4.09Å; F1453-L1524 HydrophobicContact CE2-CD1 4.32Å; F1453-L1524 HydrophobicContact CZ-CD1 3.6Å; F1453-L1524 VanDerWaalsContact CZ-CD1 3.48Å; F1453-R1741 PolarHBondContact O-NH2 3.31Å
1454Y78.8Confident72.7Confident18.8 Ų18.841.2 Ų41.27%0.07422%0.215CC..G310 helixtrans-65.7-25.6172.1-78.2-83.1000112.7H1443 R1447 P1451 R1452 R1741 A1744H1443-Y1454 AromaticContact CE1-CD1 3.81Å; H1443-Y1454 AromaticContact CE1-CE1 3.36Å; H1443-Y1454 WeakPolarHBondContact CE1-CE1 3.27Å; H1443-Y1454 AromaticContact CE1-CZ 3.59Å; H1443-Y1454 AromaticContact ND1-CE1 3.54Å; H1443-Y1454 WeakPolarHBondContact ND1-CE1 3.39Å; H1443-Y1454 AromaticContact ND1-CZ 3.79Å; H1443-Y1454 PolarHBondContact ND1-OH 2.92Å; R1447-Y1454 HydrophobicContact CB-CD2 4.22Å; R1447-Y1454 HydrophobicContact CB-CE1 4.21Å; R1447-Y1454 HydrophobicContact CB-CE2 3.8Å; R1447-Y1454 WeakPolarHBondContact O-CE2 3.29Å; P1451-Y1454 HydrophobicContact CB-CD2 4.39Å; P1451-Y1454 WeakPolarHBondContact O-CB 3.36Å; P1451-Y1454 VanDerWaalsContact O-CD2 3.25Å; P1451-Y1454 WeakPolarHBondContact O-CD2 3.38Å; P1451-Y1454 PolarHBondContact O-N 3.11Å; P1451-Y1454 VanDerWaalsContact O-N 3.07Å; R1452-Y1454 PolarHBondContact O-N 3.15Å; R1452-Y1454 VanDerWaalsContact O-N 3.13Å; Y1454-R1741 HydrophobicContact CD1-CG 3.63Å; Y1454-R1741 WeakPolarHBondContact CD1-O 3.44Å; Y1454-R1741 HydrophobicContact CE1-CG 4.29Å; Y1454-R1741 PolarHBondContact O-NE 3.29Å; Y1454-R1741 PolarHBondContact O-NH2 3.16Å; Y1454-R1741 VanDerWaalsContact O-NH2 3.16Å; Y1454-A1744 HydrophobicContact CD1-CB 4.14Å; Y1454-A1744 HydrophobicContact CE1-CB 4.03Å
1455F77.7Confident73.3Confident36.8 Ų36.835.6 Ų35.616%0.16119%0.191CC..G310 helixtrans-93.4-3.7-177.3-50.2-57.4000114.3R1452 F1453 H1726 F1728 L1746R1452-F1455 HydrophobicContact CB-CD2 4.37Å; R1452-F1455 WeakPolarHBondContact O-CD2 3.15Å; R1452-F1455 PolarHBondContact O-N 3.07Å; R1452-F1455 VanDerWaalsContact O-N 3.15Å; F1453-F1455 PolarHBondContact O-N 3.08Å; F1455-H1726 AromaticContact CD2-CE1 3.79Å; F1455-H1726 AromaticContact CD2-NE2 3.84Å; F1455-H1726 AromaticContact CE2-CD2 3.99Å; F1455-H1726 AromaticContact CE2-CE1 3.84Å; F1455-H1726 AromaticContact CE2-NE2 3.71Å; F1455-F1728 HydrophobicContact CD1-CE1 4.38Å; F1455-F1728 AromaticContact CD1-CZ 3.86Å; F1455-F1728 HydrophobicContact CD1-CZ 3.86Å; F1455-F1728 AromaticContact CE1-CZ 3.89Å; F1455-F1728 HydrophobicContact CE1-CZ 3.95Å; F1455-L1746 HydrophobicContact CE1-CD2 4.07Å; F1455-L1746 HydrophobicContact CE1-CG 4.06Å; F1455-L1746 HydrophobicContact CZ-CD2 3.89Å; F1455-L1746 HydrophobicContact CZ-CG 4.11Å
1456V76.7Confident73.5Confident5.2 Ų5.230.6 Ų30.63%0.03217%0.171CC..SBendtrans-99.7137.8-179.3-179.10000109.4F1453 D1460 L1461 I1464 K1480 L1481 R1741F1453-V1456 PolarHBondContact O-N 2.96Å; V1456-D1460 HydrophobicContact CG1-CB 3.34Å; V1456-L1461 HydrophobicContact CG1-CB 4.34Å; V1456-I1464 HydrophobicContact CG1-CD1 4.31Å; V1456-K1480 HydrophobicContact CG2-CB 4.32Å; V1456-L1481 HydrophobicContact CG2-CD2 3.49Å; V1456-L1481 VanDerWaalsContact CG2-CD2 3.45Å; V1456-L1481 HydrophobicContact CG2-CG 4.29Å; V1456-R1741 PolarHBondContact O-NH2 3.25Å
1457G72.3Confident73.6Confident29.8 Ų29.830.4 Ų30.431%0.30717%0.171SC..  trans-60.1156.1175.400000111.8D1459 D1460 L1461G1457-D1459 VanDerWaalsContact C-N 3.32Å; G1457-D1459 PolarHBondContact O-N 3.2Å; G1457-D1460 PolarHBondContact O-N 3.14Å; G1457-L1461 VanDerWaalsContact O-CB 3.28Å; G1457-L1461 WeakPolarHBondContact O-CB 3.4Å; G1457-L1461 PolarHBondContact O-N 3.08Å
1458D71.1Confident73.2Confident55 Ų5530.9 Ų30.929%0.29418%0.176SC..Hα-helixtrans-64.5-35.7-177-69-17.9000111.5L1438 R1447 L1461 L1462 R1741L1438-D1458 HydrophobicContact CD1-CB 4.07Å; R1447-D1458 IonicContact CZ-OD1 3.21Å; R1447-D1458 IonicContact NH1-OD1 3.45Å; R1447-D1458 PolarHBondContact NH1-OD1 3.33Å; R1447-D1458 VanDerWaalsContact NH1-OD1 3.13Å; R1447-D1458 IonicContact NH2-OD1 3.17Å; R1447-D1458 PolarHBondContact NH2-OD1 3.16Å; D1458-L1461 WeakPolarHBondContact O-CB 3.28Å; D1458-L1461 PolarHBondContact O-N 3.13Å; D1458-L1462 WeakPolarHBondContact O-CB 3.38Å; D1458-L1462 VanDerWaalsContact O-CG 3.28Å; D1458-L1462 WeakPolarHBondContact O-CG 3.24Å; D1458-L1462 PolarHBondContact O-N 3.07Å; D1458-R1741 IonicContact OD1-CZ 3.34Å; D1458-R1741 IonicContact OD1-NH1 3.67Å; D1458-R1741 PolarHBondContact OD1-NH1 3.1Å; D1458-R1741 IonicContact OD1-NH2 3.63Å; D1458-R1741 PolarHBondContact OD1-NH2 2.64Å; D1458-R1741 IonicContact OD2-NH1 3.34Å
1459D69.9Low73.1Confident95.4 Ų95.432.1 Ų32.151%0.5118%0.178SC..Hα-helixtrans-67.2-44.2176.9-64.8-30.9000113.2Y1370 Q1431 G1457 L1461 L1462 A1463Y1370-D1459 WeakPolarHBondContact CE2-OD1 3.38Å; Y1370-D1459 VanDerWaalsContact CZ-OD1 3.3Å; Y1370-D1459 VanDerWaalsContact OH-CA 3.31Å; Y1370-D1459 WeakPolarHBondContact OH-CA 3.43Å; Y1370-D1459 PolarHBondContact OH-O 3.07Å; Y1370-D1459 PolarHBondContact OH-OD1 3.11Å; Q1431-D1459 PolarHBondContact NE2-OD1 3.42Å; G1457-D1459 VanDerWaalsContact C-N 3.32Å; G1457-D1459 PolarHBondContact O-N 3.2Å; D1459-L1461 VanDerWaalsContact C-N 3.31Å; D1459-L1461 PolarHBondContact O-N 3.39Å; D1459-L1462 WeakPolarHBondContact O-CB 3.36Å; D1459-L1462 PolarHBondContact O-N 3.23Å; D1459-A1463 PolarHBondContact O-N 3.01Å
1460D72.5Confident72.9Confident33.2 Ų33.231.4 Ų31.418%0.17818%0.175CC..Hα-helixtrans-64-40.8175.5-78.4-45.5000111.2V1456 G1457 L1462 A1463 I1464 H1477 K1480V1456-D1460 HydrophobicContact CG1-CB 3.34Å; G1457-D1460 PolarHBondContact O-N 3.14Å; D1460-L1462 VanDerWaalsContact C-N 3.28Å; D1460-L1462 PolarHBondContact O-N 3.23Å; D1460-A1463 PolarHBondContact O-N 3.19Å; D1460-I1464 WeakPolarHBondContact O-CB 3.32Å; D1460-I1464 WeakPolarHBondContact O-CD1 3.39Å; D1460-I1464 VanDerWaalsContact O-CG1 3.26Å; D1460-I1464 WeakPolarHBondContact O-CG1 3.28Å; D1460-I1464 PolarHBondContact O-N 3.07Å; D1460-H1477 IonicContact OD1-CE1 2.78Å; D1460-H1477 PolarHBondContact OD1-CE1 3.16Å; D1460-H1477 IonicContact OD1-ND1 2.98Å; D1460-H1477 PolarHBondContact OD1-ND1 3.19Å; D1460-H1477 VanDerWaalsContact OD1-ND1 3.12Å; D1460-K1480 HydrophobicContact CB-CD 4.47Å; D1460-K1480 IonicContact OD1-NZ 3.38Å; D1460-K1480 PolarHBondContact OD1-NZ 3.17Å; D1460-K1480 VanDerWaalsContact OD2-CD 3.27Å; D1460-K1480 WeakPolarHBondContact OD2-CD 3.13Å; D1460-K1480 WeakPolarHBondContact OD2-CE 3.4Å; D1460-K1480 IonicContact OD2-NZ 2.73Å; D1460-K1480 PolarHBondContact OD2-NZ 3.09Å
1461L73Confident72.7Confident0 Ų032.6 Ų32.60%018%0.183CC..Hα-helixtrans-62.4-41.8176.6-179.266.2000110.5L1438 Y1442 F1453 V1456 G1457 D1458 D1459 A1463 I1464 L1465L1438-L1461 HydrophobicContact CD2-CD2 4.2Å; Y1442-L1461 HydrophobicContact CD1-CD2 3.93Å; Y1442-L1461 HydrophobicContact CE1-CD1 3.95Å; Y1442-L1461 HydrophobicContact CE1-CD2 3.55Å; Y1442-L1461 HydrophobicContact CE1-CG 4.06Å; Y1442-L1461 WeakPolarHBondContact OH-CD1 3.33Å; F1453-L1461 HydrophobicContact CB-CD1 4.17Å; F1453-L1461 HydrophobicContact CD1-CD1 3.59Å; F1453-L1461 HydrophobicContact CD2-CD1 4.33Å; F1453-L1461 HydrophobicContact CE1-CD1 4Å; F1453-L1461 HydrophobicContact CE2-CD1 4.47Å; F1453-L1461 HydrophobicContact CG-CD1 3.82Å; F1453-L1461 HydrophobicContact CZ-CD1 4.43Å; V1456-L1461 HydrophobicContact CG1-CB 4.34Å; G1457-L1461 VanDerWaalsContact O-CB 3.28Å; G1457-L1461 WeakPolarHBondContact O-CB 3.4Å; G1457-L1461 PolarHBondContact O-N 3.08Å; D1458-L1461 WeakPolarHBondContact O-CB 3.28Å; D1458-L1461 PolarHBondContact O-N 3.13Å; D1459-L1461 VanDerWaalsContact C-N 3.31Å; D1459-L1461 PolarHBondContact O-N 3.39Å; L1461-A1463 VanDerWaalsContact C-N 3.32Å; L1461-A1463 PolarHBondContact O-N 3.11Å; L1461-I1464 PolarHBondContact O-N 3.15Å; L1461-L1465 HydrophobicContact CD1-CD1 4.39Å; L1461-L1465 HydrophobicContact CD1-CG 4.37Å; L1461-L1465 HydrophobicContact CD2-CD1 4.49Å; L1461-L1465 HydrophobicContact CG-CD1 3.97Å; L1461-L1465 HydrophobicContact CG-CG 4.42Å; L1461-L1465 VanDerWaalsContact O-CB 3.31Å; L1461-L1465 WeakPolarHBondContact O-CB 3.45Å; L1461-L1465 WeakPolarHBondContact O-CD1 3.4Å; L1461-L1465 WeakPolarHBondContact O-CG 3.3Å; L1461-L1465 PolarHBondContact O-N 3.19Å
1462L70Confident72.5Confident8.2 Ų8.236.7 Ų36.74%0.04320%0.204CC..Hα-helixtrans-64.9-38.2175.2-74.6170.8000112.6Y1370 I1374 V1379 L1434 L1438 D1458 D1459 D1460 I1464 L1465 G1466Y1370-L1462 HydrophobicContact CE1-CD1 4.37Å; Y1370-L1462 WeakPolarHBondContact OH-CB 3.14Å; Y1370-L1462 VanDerWaalsContact OH-CD1 3.27Å; Y1370-L1462 WeakPolarHBondContact OH-CD1 3.26Å; I1374-L1462 HydrophobicContact CD1-CB 3.96Å; I1374-L1462 HydrophobicContact CD1-CD1 3.68Å; I1374-L1462 HydrophobicContact CD1-CD2 4.19Å; I1374-L1462 HydrophobicContact CD1-CG 4.28Å; I1374-L1462 HydrophobicContact CG1-CB 4.45Å; I1374-L1462 HydrophobicContact CG1-CD1 4Å; I1374-L1462 HydrophobicContact CG1-CD2 4.45Å; I1374-L1462 HydrophobicContact CG2-CD1 4.41Å; I1374-L1462 HydrophobicContact CG2-CD2 4.13Å; V1379-L1462 HydrophobicContact CG1-CD2 4.4Å; L1434-L1462 HydrophobicContact CD1-CD2 3.87Å; L1434-L1462 HydrophobicContact CD2-CD1 3.61Å; L1434-L1462 VanDerWaalsContact CD2-CD1 3.45Å; L1434-L1462 HydrophobicContact CD2-CD2 3.89Å; L1434-L1462 HydrophobicContact CD2-CG 4.21Å; L1434-L1462 HydrophobicContact CG-CD1 4.07Å; L1434-L1462 HydrophobicContact CG-CD2 3.93Å; L1434-L1462 HydrophobicContact CG-CG 4.45Å; L1438-L1462 HydrophobicContact CD1-CD1 3.89Å; L1438-L1462 VanDerWaalsContact CD1-CD1 3.48Å; L1438-L1462 HydrophobicContact CD1-CD2 3.86Å; L1438-L1462 HydrophobicContact CD1-CG 3.73Å; L1438-L1462 HydrophobicContact CD2-CD2 3.9Å; L1438-L1462 HydrophobicContact CD2-CG 4.25Å; L1438-L1462 HydrophobicContact CG-CD1 4.41Å; L1438-L1462 HydrophobicContact CG-CD2 4.09Å; L1438-L1462 HydrophobicContact CG-CG 4.28Å; D1458-L1462 WeakPolarHBondContact O-CB 3.38Å; D1458-L1462 VanDerWaalsContact O-CG 3.28Å; D1458-L1462 WeakPolarHBondContact O-CG 3.24Å; D1458-L1462 PolarHBondContact O-N 3.07Å; D1459-L1462 WeakPolarHBondContact O-CB 3.36Å; D1459-L1462 PolarHBondContact O-N 3.23Å; D1460-L1462 VanDerWaalsContact C-N 3.28Å; D1460-L1462 PolarHBondContact O-N 3.23Å; L1462-I1464 VanDerWaalsContact C-N 3.35Å; L1462-L1465 HydrophobicContact CD2-CD1 4.37Å; L1462-L1465 WeakPolarHBondContact O-CB 3.33Å; L1462-L1465 PolarHBondContact O-N 3.08Å; L1462-G1466 WeakPolarHBondContact O-CA 3.22Å; L1462-G1466 PolarHBondContact O-N 3.1Å
1463A69.7Low72Confident24.2 Ų24.237.3 Ų37.320%0.221%0.208CC..Hα-helixtrans-62.7-46174.300000111.5D1459 D1460 L1461 L1465 G1466 Q1467D1459-A1463 PolarHBondContact O-N 3.01Å; D1460-A1463 PolarHBondContact O-N 3.19Å; L1461-A1463 VanDerWaalsContact C-N 3.32Å; L1461-A1463 PolarHBondContact O-N 3.11Å; A1463-L1465 VanDerWaalsContact C-N 3.29Å; A1463-L1465 PolarHBondContact O-N 3.16Å; A1463-G1466 PolarHBondContact O-N 3.29Å; A1463-Q1467 PolarHBondContact O-N 3.16Å; A1463-Q1467 VanDerWaalsContact O-N 3.16Å
1464I71.9Confident71.8Confident14.2 Ų14.238 Ų387%0.07321%0.211CC..Hα-helixtrans-58.8-43.7173.7-65.4164.1000110F1453 V1456 D1460 L1461 L1462 A1468 H1477 L1481 W1521F1453-I1464 HydrophobicContact CE1-CD1 4.42Å; F1453-I1464 HydrophobicContact CE1-CG2 4.31Å; V1456-I1464 HydrophobicContact CG1-CD1 4.31Å; D1460-I1464 WeakPolarHBondContact O-CB 3.32Å; D1460-I1464 WeakPolarHBondContact O-CD1 3.39Å; D1460-I1464 VanDerWaalsContact O-CG1 3.26Å; D1460-I1464 WeakPolarHBondContact O-CG1 3.28Å; D1460-I1464 PolarHBondContact O-N 3.07Å; L1461-I1464 PolarHBondContact O-N 3.15Å; L1462-I1464 VanDerWaalsContact C-N 3.35Å; I1464-A1468 WeakPolarHBondContact O-CA 3.31Å; I1464-A1468 WeakPolarHBondContact O-CB 3.49Å; I1464-A1468 PolarHBondContact O-N 3.28Å; I1464-H1477 HydrophobicContact CD1-CB 3.84Å; I1464-H1477 HydrophobicContact CG1-CB 3.74Å; I1464-L1481 HydrophobicContact CD1-CD1 4.39Å; I1464-W1521 HydrophobicContact CG2-CE3 4.4Å; I1464-W1521 HydrophobicContact CG2-CH2 3.45Å; I1464-W1521 VanDerWaalsContact CG2-CH2 3.42Å; I1464-W1521 HydrophobicContact CG2-CZ2 4.03Å; I1464-W1521 HydrophobicContact CG2-CZ3 3.58Å; I1464-W1521 VanDerWaalsContact O-CH2 3.29Å; I1464-W1521 WeakPolarHBondContact O-CH2 3.38Å; I1464-W1521 WeakPolarHBondContact O-CZ2 3.48Å
1465L68Low71.9Confident31.8 Ų31.841 Ų4117%0.16623%0.225CC..Hα-helixtrans-69.3-39.5-178.9-73.4169.1000114L1438 Y1442 L1461 L1462 A1463 W1521L1438-L1465 HydrophobicContact CD2-CD1 4.33Å; Y1442-L1465 HydrophobicContact CD2-CD1 4.08Å; Y1442-L1465 HydrophobicContact CD2-CD2 4.4Å; Y1442-L1465 HydrophobicContact CE1-CD1 4.37Å; Y1442-L1465 HydrophobicContact CE2-CD1 3.63Å; Y1442-L1465 HydrophobicContact CE2-CD2 3.66Å; Y1442-L1465 VanDerWaalsContact CE2-CD2 3.5Å; Y1442-L1465 HydrophobicContact CE2-CG 4.12Å; Y1442-L1465 WeakPolarHBondContact OH-CD2 3.42Å; L1461-L1465 HydrophobicContact CD1-CD1 4.39Å; L1461-L1465 HydrophobicContact CD1-CG 4.37Å; L1461-L1465 HydrophobicContact CD2-CD1 4.49Å; L1461-L1465 HydrophobicContact CG-CD1 3.97Å; L1461-L1465 HydrophobicContact CG-CG 4.42Å; L1461-L1465 VanDerWaalsContact O-CB 3.31Å; L1461-L1465 WeakPolarHBondContact O-CB 3.45Å; L1461-L1465 WeakPolarHBondContact O-CD1 3.4Å; L1461-L1465 WeakPolarHBondContact O-CG 3.3Å; L1461-L1465 PolarHBondContact O-N 3.19Å; L1462-L1465 HydrophobicContact CD2-CD1 4.37Å; L1462-L1465 WeakPolarHBondContact O-CB 3.33Å; L1462-L1465 PolarHBondContact O-N 3.08Å; A1463-L1465 VanDerWaalsContact C-N 3.29Å; A1463-L1465 PolarHBondContact O-N 3.16Å; L1465-W1521 HydrophobicContact CD2-CE3 3.84Å; L1465-W1521 HydrophobicContact CD2-CZ2 3.81Å; L1465-W1521 HydrophobicContact CD2-CZ3 3.88Å; L1465-W1521 HydrophobicContact CG-CZ2 4.47Å
1466G65.8Low71.8Confident10.2 Ų10.242.2 Ų42.211%0.10524%0.242CC..Hα-helixtrans-72.6-40.1-177.300000112.2K1377 L1462 A1463K1377-G1466 VanDerWaalsContact CD-O 3.3Å; K1377-G1466 WeakPolarHBondContact CD-O 3.35Å; K1377-G1466 WeakPolarHBondContact CE-O 3.39Å; K1377-G1466 PolarHBondContact NZ-O 3.07Å; L1462-G1466 WeakPolarHBondContact O-CA 3.22Å; L1462-G1466 PolarHBondContact O-N 3.1Å; A1463-G1466 PolarHBondContact O-N 3.29Å
1467Q67.5Low71.9Confident56 Ų5643.3 Ų43.326%0.26225%0.246SC..  trans-129.343.5-167.1-60.7176.8-10.700112.4P1373 A1463 D1469 Q1470 I1473P1373-Q1467 HydrophobicContact CB-CG 3.7Å; P1373-Q1467 HydrophobicContact CG-CG 4.22Å; P1373-Q1467 VanDerWaalsContact CG-NE2 3.26Å; A1463-Q1467 PolarHBondContact O-N 3.16Å; A1463-Q1467 VanDerWaalsContact O-N 3.16Å; Q1467-D1469 PolarHBondContact O-N 3.15Å; Q1467-D1469 VanDerWaalsContact O-N 3.09Å; Q1467-Q1470 PolarHBondContact O-N 3.24Å; Q1467-Q1470 VanDerWaalsContact O-N 3.13Å; Q1467-Q1470 VanDerWaalsContact OE1-OE1 3.06Å; Q1467-I1473 HydrophobicContact CB-CD1 3.31Å; Q1467-I1473 VanDerWaalsContact CB-CD1 3.46Å; Q1467-I1473 VanDerWaalsContact CD-CD1 3.5Å; Q1467-I1473 HydrophobicContact CG-CD1 4.02Å
1468A63.1Low72.5Confident13.6 Ų13.642 Ų4211%0.11223%0.233CC..THydrogen-bonded Turntrans-55.7-21.1-17900000115.1I1464 I1474 W1521I1464-A1468 WeakPolarHBondContact O-CA 3.31Å; I1464-A1468 WeakPolarHBondContact O-CB 3.49Å; I1464-A1468 PolarHBondContact O-N 3.28Å; A1468-I1474 WeakPolarHBondContact O-CD1 3.43Å; A1468-W1521 HydrophobicContact CB-CH2 3.37Å; A1468-W1521 HydrophobicContact CB-CZ2 3.75Å; A1468-W1521 VanDerWaalsContact CB-CZ2 3.43Å; A1468-W1521 HydrophobicContact CB-CZ3 4.21Å
1469D65.6Low73Confident87 Ų8743.1 Ų43.147%0.46524%0.236SC..THydrogen-bonded Turntrans-87.9-15.4-173.3-11-41.9000112.9K1377 Q1467 P1471K1377-D1469 IonicContact NZ-OD1 3.35Å; K1377-D1469 PolarHBondContact NZ-OD1 3.38Å; K1377-D1469 IonicContact NZ-OD2 3.25Å; K1377-D1469 PolarHBondContact NZ-OD2 2.94Å; Q1467-D1469 PolarHBondContact O-N 3.15Å; Q1467-D1469 VanDerWaalsContact O-N 3.09Å; D1469-P1471 WeakPolarHBondContact O-CD 3.42Å
1470Q71.4Confident73.5Confident94.4 Ų94.442.9 Ų42.944%0.44123%0.23SC..  trans-89.1121.1-176.6-68.3-169.3-14.200111.9Q1467 D1472 I1473 I1474Q1467-Q1470 PolarHBondContact O-N 3.24Å; Q1467-Q1470 VanDerWaalsContact O-N 3.13Å; Q1467-Q1470 VanDerWaalsContact OE1-OE1 3.06Å; Q1470-D1472 VanDerWaalsContact C-N 3.27Å; Q1470-D1472 PolarHBondContact O-N 3.3Å; Q1470-D1472 VanDerWaalsContact O-N 3.17Å; Q1470-I1473 HydrophobicContact CB-CB 4.45Å; Q1470-I1473 HydrophobicContact CB-CD1 4.09Å; Q1470-I1473 HydrophobicContact CB-CG1 4.27Å; Q1470-I1473 PolarHBondContact O-N 3.1Å; Q1470-I1473 VanDerWaalsContact O-N 3.14Å; Q1470-I1473 VanDerWaalsContact OE1-CD1 3.25Å; Q1470-I1474 PolarHBondContact O-N 3.31Å
1471P75Confident73.9Confident33 Ų3341.6 Ų41.621%0.21422%0.224CC..Hα-helixtrans-59.6-32.8-178.9-78.9000113.5D1469 I1473 I1474 K1475 F1490D1469-P1471 WeakPolarHBondContact O-CD 3.42Å; P1471-I1473 VanDerWaalsContact C-N 3.32Å; P1471-I1473 PolarHBondContact O-N 3.02Å; P1471-I1474 PolarHBondContact O-N 3.17Å; P1471-K1475 WeakPolarHBondContact O-CB 3.34Å; P1471-K1475 VanDerWaalsContact O-CG 3.25Å; P1471-K1475 WeakPolarHBondContact O-CG 3.39Å; P1471-K1475 PolarHBondContact O-N 3.19Å; P1471-F1490 HydrophobicContact CB-CD1 4.28Å; P1471-F1490 HydrophobicContact CB-CD2 4.24Å; P1471-F1490 HydrophobicContact CB-CE1 3.88Å; P1471-F1490 HydrophobicContact CB-CE2 3.94Å; P1471-F1490 HydrophobicContact CB-CG 4.32Å; P1471-F1490 HydrophobicContact CB-CZ 3.71Å; P1471-F1490 HydrophobicContact CG-CD1 4.36Å; P1471-F1490 HydrophobicContact CG-CE1 4.31Å
1472D75.8Confident74.5Confident111.2 Ų111.242.2 Ų42.260%0.59523%0.226SC*.Hα-helixtrans-69.1-34.1-176.9-61.7-36.6000112.3Q1470 K1475 A1476Q1470-D1472 VanDerWaalsContact C-N 3.27Å; Q1470-D1472 PolarHBondContact O-N 3.3Å; Q1470-D1472 VanDerWaalsContact O-N 3.17Å; D1472-K1475 PolarHBondContact O-N 3.14Å; D1472-K1475 IonicContact OD1-NZ 2.93Å; D1472-K1475 PolarHBondContact OD1-NZ 3.46Å; D1472-A1476 WeakPolarHBondContact O-CB 3.3Å; D1472-A1476 PolarHBondContact O-N 3.31Å
1473I74.3Confident75Confident25 Ų2544.6 Ų44.613%0.12824%0.242CC..Hα-helixtrans-73.7-42.1177-65.7177.3000110Q1467 Q1470 P1471 K1475 A1476 H1477Q1467-I1473 HydrophobicContact CB-CD1 3.31Å; Q1467-I1473 VanDerWaalsContact CB-CD1 3.46Å; Q1467-I1473 VanDerWaalsContact CD-CD1 3.5Å; Q1467-I1473 HydrophobicContact CG-CD1 4.02Å; Q1470-I1473 HydrophobicContact CB-CB 4.45Å; Q1470-I1473 HydrophobicContact CB-CD1 4.09Å; Q1470-I1473 HydrophobicContact CB-CG1 4.27Å; Q1470-I1473 PolarHBondContact O-N 3.1Å; Q1470-I1473 VanDerWaalsContact O-N 3.14Å; Q1470-I1473 VanDerWaalsContact OE1-CD1 3.25Å; P1471-I1473 VanDerWaalsContact C-N 3.32Å; P1471-I1473 PolarHBondContact O-N 3.02Å; I1473-K1475 VanDerWaalsContact C-N 3.31Å; I1473-K1475 PolarHBondContact O-N 3.4Å; I1473-A1476 PolarHBondContact O-N 3.1Å; I1473-A1476 VanDerWaalsContact O-N 3.13Å; I1473-H1477 VanDerWaalsContact CG2-CD2 3.46Å; I1473-H1477 WeakPolarHBondContact CG2-CD2 3.14Å; I1473-H1477 PolarHBondContact O-CD2 3.2Å; I1473-H1477 PolarHBondContact O-N 3.18Å
1474I77.9Confident75.6Confident15 Ų1544.6 Ų44.68%0.07724%0.241CC..Hα-helixtrans-57.7-47.5172.2-63173.9000109.8A1468 Q1470 P1471 A1476 H1477 I1478 V1488 F1490 I1516 W1523A1468-I1474 WeakPolarHBondContact O-CD1 3.43Å; Q1470-I1474 PolarHBondContact O-N 3.31Å; P1471-I1474 PolarHBondContact O-N 3.17Å; I1474-A1476 VanDerWaalsContact C-N 3.29Å; I1474-A1476 PolarHBondContact O-N 3.1Å; I1474-H1477 PolarHBondContact O-N 3.29Å; I1474-I1478 HydrophobicContact CG2-CD1 4.11Å; I1474-I1478 WeakPolarHBondContact O-CB 3.36Å; I1474-I1478 WeakPolarHBondContact O-CG2 3.37Å; I1474-I1478 PolarHBondContact O-N 3.16Å; I1474-V1488 HydrophobicContact CG2-CG2 4.37Å; I1474-F1490 HydrophobicContact CB-CZ 4.17Å; I1474-F1490 HydrophobicContact CD1-CE1 4.28Å; I1474-F1490 HydrophobicContact CD1-CZ 4.33Å; I1474-F1490 HydrophobicContact CG2-CZ 4.12Å; I1474-I1516 HydrophobicContact CD1-CD1 3.98Å; I1474-I1516 HydrophobicContact CD1-CG2 4.43Å; I1474-W1523 HydrophobicContact CD1-CH2 4.41Å; I1474-W1523 HydrophobicContact CD1-CZ2 4.3Å; I1474-W1523 HydrophobicContact CG2-CH2 4.07Å; I1474-W1523 HydrophobicContact CG2-CZ2 4.42Å
1475K79.7Confident76.3Confident81.2 Ų81.244.2 Ų44.235%0.35324%0.239SC..Hα-helixtrans-59.4-39176.7-71.5171.8-172.1168.30112.3P1471 D1472 I1473 T1487 F1490P1471-K1475 WeakPolarHBondContact O-CB 3.34Å; P1471-K1475 VanDerWaalsContact O-CG 3.25Å; P1471-K1475 WeakPolarHBondContact O-CG 3.39Å; P1471-K1475 PolarHBondContact O-N 3.19Å; D1472-K1475 PolarHBondContact O-N 3.14Å; D1472-K1475 IonicContact OD1-NZ 2.93Å; D1472-K1475 PolarHBondContact OD1-NZ 3.46Å; I1473-K1475 VanDerWaalsContact C-N 3.31Å; I1473-K1475 PolarHBondContact O-N 3.4Å; K1475-T1487 WeakPolarHBondContact CG-OG1 3.31Å; K1475-F1490 HydrophobicContact CD-CE2 4.26Å; K1475-F1490 VanDerWaalsContact CE-CE2 3.46Å; K1475-F1490 HydrophobicContact CG-CE2 3.85Å; K1475-F1490 HydrophobicContact CG-CZ 4.48Å
1476A77Confident77.1Confident63.2 Ų63.244.1 Ų44.152%0.52224%0.241SC..Hα-helixtrans-69.5-36.718000000113.2D1472 I1473 I1474D1472-A1476 WeakPolarHBondContact O-CB 3.3Å; D1472-A1476 PolarHBondContact O-N 3.31Å; I1473-A1476 PolarHBondContact O-N 3.1Å; I1473-A1476 VanDerWaalsContact O-N 3.13Å; I1474-A1476 VanDerWaalsContact C-N 3.29Å; I1474-A1476 PolarHBondContact O-N 3.1Å
1477H78.2Confident78.1Confident27 Ų2745.9 Ų45.913%0.12525%0.25CS..Hα-helixtrans-103.4-14-173.4-62.9-77.2000114.8D1460 I1464 I1473 I1474 Q1479 K1480 L1481D1460-H1477 IonicContact OD1-CE1 2.78Å; D1460-H1477 PolarHBondContact OD1-CE1 3.16Å; D1460-H1477 IonicContact OD1-ND1 2.98Å; D1460-H1477 PolarHBondContact OD1-ND1 3.19Å; D1460-H1477 VanDerWaalsContact OD1-ND1 3.12Å; I1464-H1477 HydrophobicContact CD1-CB 3.84Å; I1464-H1477 HydrophobicContact CG1-CB 3.74Å; I1473-H1477 VanDerWaalsContact CG2-CD2 3.46Å; I1473-H1477 WeakPolarHBondContact CG2-CD2 3.14Å; I1473-H1477 PolarHBondContact O-CD2 3.2Å; I1473-H1477 PolarHBondContact O-N 3.18Å; I1474-H1477 PolarHBondContact O-N 3.29Å; H1477-Q1479 VanDerWaalsContact C-N 3.26Å; H1477-Q1479 PolarHBondContact O-N 3.04Å; H1477-K1480 WeakPolarHBondContact O-CB 3.31Å; H1477-K1480 PolarHBondContact O-N 3.32Å; H1477-L1481 PolarHBondContact O-N 3.08Å
1478I84.8Confident79.1Confident3.6 Ų3.643.4 Ų43.42%0.01824%0.239CC..Hα-helixtrans-59.7-36.2-177.2-163.582.4000112.3I1474 K1480 L1481 F1482 V1485 V1488 L1524 L1527I1474-I1478 HydrophobicContact CG2-CD1 4.11Å; I1474-I1478 WeakPolarHBondContact O-CB 3.36Å; I1474-I1478 WeakPolarHBondContact O-CG2 3.37Å; I1474-I1478 PolarHBondContact O-N 3.16Å; I1478-K1480 VanDerWaalsContact C-N 3.25Å; I1478-K1480 PolarHBondContact O-N 3.23Å; I1478-L1481 PolarHBondContact O-N 3.29Å; I1478-L1481 VanDerWaalsContact O-N 3.14Å; I1478-F1482 HydrophobicContact CD1-CD2 3.71Å; I1478-F1482 HydrophobicContact CD1-CE2 3.93Å; I1478-F1482 HydrophobicContact CG1-CD2 4.09Å; I1478-F1482 PolarHBondContact O-N 3.13Å; I1478-V1485 HydrophobicContact CG1-CG1 4.44Å; I1478-V1485 HydrophobicContact CG2-CG1 4.5Å; I1478-V1488 HydrophobicContact CD1-CG1 3.67Å; I1478-V1488 HydrophobicContact CD1-CG2 4.32Å; I1478-V1488 HydrophobicContact CG1-CG1 4.14Å; I1478-V1488 HydrophobicContact CG2-CG1 4.46Å; I1478-L1524 HydrophobicContact CD1-CD2 4.3Å; I1478-L1527 HydrophobicContact CD1-CD2 4.18Å
1479Q81.9Confident80.3Confident77.8 Ų77.846.9 Ų46.936%0.36425%0.252SS..Hα-helixtrans-62.7-30.5176.9-170.4179.520.400112.6H1477 L1481 F1482 P1483 V1485H1477-Q1479 VanDerWaalsContact C-N 3.26Å; H1477-Q1479 PolarHBondContact O-N 3.04Å; Q1479-L1481 VanDerWaalsContact C-N 3.34Å; Q1479-F1482 CarbonylContact O-C 3.54Å; Q1479-F1482 VanDerWaalsContact O-C 3.28Å; Q1479-P1483 VanDerWaalsContact O-CA 3.25Å; Q1479-P1483 WeakPolarHBondContact O-CA 3.38Å; Q1479-V1485 VanDerWaalsContact CA-O 3.24Å; Q1479-V1485 WeakPolarHBondContact CA-O 3.38Å; Q1479-V1485 WeakPolarHBondContact CB-O 3.33Å
1480K79.7Confident81.3Confident90.2 Ų90.244.3 Ų44.339%0.39224%0.237SC..Hα-helixtrans-71-33.6177.1-59.9-174.5178-174.20111.7V1456 D1460 H1477 I1478V1456-K1480 HydrophobicContact CG2-CB 4.32Å; D1460-K1480 HydrophobicContact CB-CD 4.47Å; D1460-K1480 IonicContact OD1-NZ 3.38Å; D1460-K1480 PolarHBondContact OD1-NZ 3.17Å; D1460-K1480 VanDerWaalsContact OD2-CD 3.27Å; D1460-K1480 WeakPolarHBondContact OD2-CD 3.13Å; D1460-K1480 WeakPolarHBondContact OD2-CE 3.4Å; D1460-K1480 IonicContact OD2-NZ 2.73Å; D1460-K1480 PolarHBondContact OD2-NZ 3.09Å; H1477-K1480 WeakPolarHBondContact O-CB 3.31Å; H1477-K1480 PolarHBondContact O-N 3.32Å; I1478-K1480 VanDerWaalsContact C-N 3.25Å; I1478-K1480 PolarHBondContact O-N 3.23Å
1481L82.4Confident81.8Confident7.6 Ų7.640.6 Ų40.64%0.0422%0.222CC..Hα-helixtrans-81.4-39.5177.4-64.3173.1000112.2F1450 R1452 F1453 V1456 I1464 H1477 I1478 Q1479 L1524F1450-L1481 HydrophobicContact CE1-CD1 4.41Å; F1450-L1481 HydrophobicContact CE1-CD2 4.17Å; R1452-L1481 HydrophobicContact CB-CD2 4.43Å; R1452-L1481 VanDerWaalsContact CD-O 3.26Å; R1452-L1481 WeakPolarHBondContact CD-O 3.39Å; R1452-L1481 PolarHBondContact NH1-O 3.41Å; F1453-L1481 HydrophobicContact CD1-CD2 3.62Å; F1453-L1481 HydrophobicContact CE1-CD1 4.13Å; F1453-L1481 HydrophobicContact CE1-CD2 3.78Å; V1456-L1481 HydrophobicContact CG2-CD2 3.49Å; V1456-L1481 VanDerWaalsContact CG2-CD2 3.45Å; V1456-L1481 HydrophobicContact CG2-CG 4.29Å; I1464-L1481 HydrophobicContact CD1-CD1 4.39Å; H1477-L1481 PolarHBondContact O-N 3.08Å; I1478-L1481 PolarHBondContact O-N 3.29Å; I1478-L1481 VanDerWaalsContact O-N 3.14Å; Q1479-L1481 VanDerWaalsContact C-N 3.34Å; L1481-L1524 HydrophobicContact CD1-CD1 4.08Å; L1481-L1524 HydrophobicContact CD1-CD2 4.08Å
1482F84.6Confident82Confident12 Ų1245.9 Ų45.95%0.05326%0.256CS..SBendtrans-122.890.8179.7-61.8-84.1000108.6F1450 R1452 I1478 Q1479 S1484 V1485 L1524 L1527 E1528F1450-F1482 HydrophobicContact CZ-CE2 4.3Å; F1450-F1482 AromaticContact CZ-CZ 3.88Å; F1450-F1482 HydrophobicContact CZ-CZ 3.95Å; R1452-F1482 VanDerWaalsContact NH1-CE1 3.31Å; I1478-F1482 HydrophobicContact CD1-CD2 3.71Å; I1478-F1482 HydrophobicContact CD1-CE2 3.93Å; I1478-F1482 HydrophobicContact CG1-CD2 4.09Å; I1478-F1482 PolarHBondContact O-N 3.13Å; Q1479-F1482 CarbonylContact O-C 3.54Å; Q1479-F1482 VanDerWaalsContact O-C 3.28Å; F1482-S1484 PolarHBondContact O-N 3.15Å; F1482-V1485 HydrophobicContact CB-CB 3.91Å; F1482-V1485 HydrophobicContact CB-CG2 3.88Å; F1482-V1485 PolarHBondContact O-N 3.4Å; F1482-L1524 HydrophobicContact CE2-CD2 4.17Å; F1482-L1527 HydrophobicContact CE2-CD2 4.06Å; F1482-L1527 HydrophobicContact CZ-CD2 4.41Å; F1482-E1528 HydrophobicContact CE1-CB 4.34Å; F1482-E1528 HydrophobicContact CZ-CB 4.48Å
1483P80.7Confident82Confident58.2 Ų58.244.3 Ų44.338%0.37825%0.254SS..THydrogen-bonded Turntrans-53-30.8-173.3-29.435.5000114.8Q1479 T1724Q1479-P1483 VanDerWaalsContact O-CA 3.25Å; Q1479-P1483 WeakPolarHBondContact O-CA 3.38Å; P1483-T1724 HydrophobicContact CG-CG2 4.25Å
1484S82.4Confident81.9Confident25.4 Ų25.446.2 Ų46.218%0.17827%0.269CS..THydrogen-bonded Turntrans-84.8-10.8-178.9-49.50000114.5F1482 Y1670 T1671F1482-S1484 PolarHBondContact O-N 3.15Å; S1484-Y1670 WeakPolarHBondContact CB-O 3.42Å; S1484-Y1670 WeakPolarHBondContact O-CE1 3.47Å; S1484-Y1670 PolarHBondContact OG-O 3.02Å; S1484-T1671 VanDerWaalsContact CB-C 3.45Å; S1484-T1671 WeakPolarHBondContact CB-O 3.39Å; S1484-T1671 WeakPolarHBondContact OG-CA 3.33Å; S1484-T1671 PolarHBondContact OG-O 3.23Å
1485V86.9Confident81.9Confident3.8 Ų3.852.7 Ų52.72%0.02330%0.297CS..  trans-105.6109.9-179.3-179.30000108.2I1478 Q1479 F1482 T1487 V1488 I1500 V1501 Y1670I1478-V1485 HydrophobicContact CG1-CG1 4.44Å; I1478-V1485 HydrophobicContact CG2-CG1 4.5Å; Q1479-V1485 VanDerWaalsContact CA-O 3.24Å; Q1479-V1485 WeakPolarHBondContact CA-O 3.38Å; Q1479-V1485 WeakPolarHBondContact CB-O 3.33Å; F1482-V1485 HydrophobicContact CB-CB 3.91Å; F1482-V1485 HydrophobicContact CB-CG2 3.88Å; F1482-V1485 PolarHBondContact O-N 3.4Å; V1485-T1487 VanDerWaalsContact CG1-O 3.31Å; V1485-T1487 WeakPolarHBondContact CG1-O 3.4Å; V1485-V1488 HydrophobicContact CG1-CG1 4.02Å; V1485-I1500 HydrophobicContact CG1-CB 4.06Å; V1485-I1500 HydrophobicContact CG1-CG2 4.33Å; V1485-I1500 HydrophobicContact CG2-CB 4.37Å; V1485-I1500 HydrophobicContact CG2-CD1 4.27Å; V1485-I1500 HydrophobicContact CG2-CG2 4.49Å; V1485-V1501 CarbonylContact C-O 3.38Å; V1485-Y1670 HydrophobicContact CG2-CD1 3.92Å; V1485-Y1670 HydrophobicContact CG2-CE1 4.44Å
1486S84.9Confident82.1Confident31.4 Ų31.449.8 Ų49.822%0.2229%0.287CS..  trans-75.7-47.7177.8-177.20000111.3V1501 S1502S1486-V1501 PolarHBondContact N-O 2.97Å; S1486-S1502 VanDerWaalsContact CB-C 3.48Å; S1486-S1502 WeakPolarHBondContact CB-O 3.31Å
1487T86Confident82.6Confident47.8 Ų47.846.9 Ų46.929%0.29326%0.262SS..EExtended strand (participates in β ladder)trans-149.1173.7-179.5104.40000111.2K1475 V1485 V1501K1475-T1487 WeakPolarHBondContact CG-OG1 3.31Å; V1485-T1487 VanDerWaalsContact CG1-O 3.31Å; V1485-T1487 WeakPolarHBondContact CG1-O 3.4Å; T1487-V1501 HydrophobicContact CG2-CB 3.71Å; T1487-V1501 HydrophobicContact CG2-CG1 4.17Å; T1487-V1501 HydrophobicContact CG2-CG2 4.04Å; T1487-V1501 PolarHBondContact N-O 3.25Å; T1487-V1501 PolarHBondContact O-N 3.02Å; T1487-V1501 WeakPolarHBondContact OG1-CB 3.16Å
1488V88Confident83.2Confident3.6 Ų3.647.6 Ų47.62%0.02227%0.269CS..EExtended strand (participates in β ladder)trans-131.9146-179.7-64.20000110.7I1474 I1478 V1485 F1490 L1497 A1499 I1500I1474-V1488 HydrophobicContact CG2-CG2 4.37Å; I1478-V1488 HydrophobicContact CD1-CG1 3.67Å; I1478-V1488 HydrophobicContact CD1-CG2 4.32Å; I1478-V1488 HydrophobicContact CG1-CG1 4.14Å; I1478-V1488 HydrophobicContact CG2-CG1 4.46Å; V1485-V1488 HydrophobicContact CG1-CG1 4.02Å; V1488-F1490 HydrophobicContact CG2-CD2 4.36Å; V1488-F1490 HydrophobicContact CG2-CE2 3.61Å; V1488-F1490 HydrophobicContact CG2-CZ 3.89Å; V1488-L1497 HydrophobicContact CB-CD2 4.03Å; V1488-L1497 HydrophobicContact CG2-CD2 3.57Å; V1488-A1499 CarbonylContact C-O 3.55Å; V1488-A1499 WeakPolarHBondContact CA-O 3.36Å; V1488-I1500 HydrophobicContact CG1-CG2 4.23Å
1489H89.4Confident83.4Confident86 Ų8647.4 Ų47.440%0.39827%0.268SS..EExtended strand (participates in β ladder)trans-90.2130172.4-69.8-137.8000110.1L1497 T1498 A1499 V1501H1489-L1497 WeakPolarHBondContact O-CA 3.47Å; H1489-T1498 PolarHBondContact O-N 2.95Å; H1489-T1498 PolarHBondContact O-OG1 3.16Å; H1489-T1498 VanDerWaalsContact O-OG1 3.07Å; H1489-A1499 HydrophobicContact CB-CB 4.03Å; H1489-A1499 PolarHBondContact N-O 3.05Å; H1489-A1499 PolarHBondContact O-N 3.19Å; H1489-V1501 VanDerWaalsContact CD2-CG2 3.49Å; H1489-V1501 WeakPolarHBondContact CD2-CG2 3.27Å; H1489-V1501 VanDerWaalsContact NE2-CG2 3.35Å; H1489-V1501 WeakPolarHBondContact NE2-CG2 3.38Å
1490F85.6Confident83.9Confident33.8 Ų33.843.8 Ų43.815%0.14825%0.251CS..EExtended strand (participates in β ladder)trans-93.7153.2174.6-66.6-100.7000110P1471 I1474 K1475 V1488 S1496 L1497 I1516P1471-F1490 HydrophobicContact CB-CD1 4.28Å; P1471-F1490 HydrophobicContact CB-CD2 4.24Å; P1471-F1490 HydrophobicContact CB-CE1 3.88Å; P1471-F1490 HydrophobicContact CB-CE2 3.94Å; P1471-F1490 HydrophobicContact CB-CG 4.32Å; P1471-F1490 HydrophobicContact CB-CZ 3.71Å; P1471-F1490 HydrophobicContact CG-CD1 4.36Å; P1471-F1490 HydrophobicContact CG-CE1 4.31Å; I1474-F1490 HydrophobicContact CB-CZ 4.17Å; I1474-F1490 HydrophobicContact CD1-CE1 4.28Å; I1474-F1490 HydrophobicContact CD1-CZ 4.33Å; I1474-F1490 HydrophobicContact CG2-CZ 4.12Å; K1475-F1490 HydrophobicContact CD-CE2 4.26Å; K1475-F1490 VanDerWaalsContact CE-CE2 3.46Å; K1475-F1490 HydrophobicContact CG-CE2 3.85Å; K1475-F1490 HydrophobicContact CG-CZ 4.48Å; V1488-F1490 HydrophobicContact CG2-CD2 4.36Å; V1488-F1490 HydrophobicContact CG2-CE2 3.61Å; V1488-F1490 HydrophobicContact CG2-CZ 3.89Å; F1490-S1496 CarbonylContact C-O 3.48Å; F1490-S1496 WeakPolarHBondContact CA-O 3.36Å; F1490-L1497 HydrophobicContact CD1-CD2 3.73Å; F1490-L1497 HydrophobicContact CD2-CD2 4.4Å; F1490-L1497 HydrophobicContact CE1-CD2 3.53Å; F1490-L1497 VanDerWaalsContact CE1-CD2 3.48Å; F1490-L1497 HydrophobicContact CE2-CD2 4.21Å; F1490-L1497 HydrophobicContact CG-CD2 4.17Å; F1490-L1497 HydrophobicContact CZ-CD2 3.78Å; F1490-I1516 HydrophobicContact CD1-CD1 4Å; F1490-I1516 HydrophobicContact CE1-CD1 3.52Å; F1490-I1516 VanDerWaalsContact CE1-CD1 3.48Å
1491S83.4Confident84.4Confident16 Ų1640.2 Ų40.211%0.11224%0.236CC..PPolyproline II helixtrans-61.1159164.472.10000110.6S1493 S1494 K1495 S1496S1491-S1493 PolarHBondContact O-N 3.23Å; S1491-S1493 PolarHBondContact OG-N 3.23Å; S1491-S1493 PolarHBondContact OG-OG 3.22Å; S1491-S1494 WeakPolarHBondContact O-CA 3.21Å; S1491-S1494 PolarHBondContact O-N 3.11Å; S1491-S1494 PolarHBondContact OG-N 2.97Å; S1491-K1495 PolarHBondContact OG-N 3.14Å; S1491-S1496 VanDerWaalsContact CB-OG 3.25Å; S1491-S1496 WeakPolarHBondContact CB-OG 3.38Å; S1491-S1496 PolarHBondContact N-O 3.06Å; S1491-S1496 PolarHBondContact OG-N 3.05Å; S1491-S1496 PolarHBondContact OG-O 3.07Å; S1491-S1496 VanDerWaalsContact OG-O 3.08Å; S1491-S1496 PolarHBondContact OG-OG 3.17Å
1492P78.6Confident84.6Confident145 Ų14540 Ų4094%0.94224%0.235SC*.THydrogen-bonded Turntrans-55.5-22.8176-26.234.6000114.3S1494P1492-S1494 VanDerWaalsContact C-N 3.35Å
1493S74.7Confident84.4Confident77.4 Ų77.442.5 Ų42.554%0.54126%0.259SS..THydrogen-bonded Turntrans-86.3-1.8175.557.90000114.2S1491 K1495S1491-S1493 PolarHBondContact O-N 3.23Å; S1491-S1493 PolarHBondContact OG-N 3.23Å; S1491-S1493 PolarHBondContact OG-OG 3.22Å; S1493-K1495 WeakPolarHBondContact O-CG 3.43Å; S1493-K1495 PolarHBondContact O-N 3.24Å; S1493-K1495 VanDerWaalsContact O-N 3.09Å
1494S73.7Confident84.3Confident64.2 Ų64.243.4 Ų43.445%0.44926%0.26SS..SBendtrans57.410.2-174.7-59.60000115.9S1491 P1492S1491-S1494 WeakPolarHBondContact O-CA 3.21Å; S1491-S1494 PolarHBondContact O-N 3.11Å; S1491-S1494 PolarHBondContact OG-N 2.97Å; P1492-S1494 VanDerWaalsContact C-N 3.35Å
1495K78.1Confident84.4Confident151.4 Ų151.444 Ų4466%0.65827%0.271SS*.SBendtrans-93.4-15.6-177.1-68.7-171.7178.5-168.90114.6S1491 S1493 I1516S1491-K1495 PolarHBondContact OG-N 3.14Å; S1493-K1495 WeakPolarHBondContact O-CG 3.43Å; S1493-K1495 PolarHBondContact O-N 3.24Å; S1493-K1495 VanDerWaalsContact O-N 3.09Å; K1495-I1516 PolarHBondContact O-N 3.14Å
1496S83.8Confident84.4Confident21.4 Ų21.444.1 Ų44.115%0.1527%0.271CS..EExtended strand (participates in β ladder)trans-139.7146.4-176.959.40000113.2F1490 S1491 V1514F1490-S1496 CarbonylContact C-O 3.48Å; F1490-S1496 WeakPolarHBondContact CA-O 3.36Å; S1491-S1496 VanDerWaalsContact CB-OG 3.25Å; S1491-S1496 WeakPolarHBondContact CB-OG 3.38Å; S1491-S1496 PolarHBondContact N-O 3.06Å; S1491-S1496 PolarHBondContact OG-N 3.05Å; S1491-S1496 PolarHBondContact OG-O 3.07Å; S1491-S1496 VanDerWaalsContact OG-O 3.08Å; S1491-S1496 PolarHBondContact OG-OG 3.17Å; S1496-V1514 CarbonylContact C-O 3.51Å; S1496-V1514 WeakPolarHBondContact CA-O 3.3Å; S1496-V1514 WeakPolarHBondContact CB-O 3.34Å
1497L86.8Confident84.7Confident0.6 Ų0.645.9 Ų45.90%0.00328%0.28CS..EExtended strand (participates in β ladder)trans-89.3127.2175.3-59177.7000110V1488 H1489 F1490 L1510 A1513 V1514 I1516 W1523 L1527V1488-L1497 HydrophobicContact CB-CD2 4.03Å; V1488-L1497 HydrophobicContact CG2-CD2 3.57Å; H1489-L1497 WeakPolarHBondContact O-CA 3.47Å; F1490-L1497 HydrophobicContact CD1-CD2 3.73Å; F1490-L1497 HydrophobicContact CD2-CD2 4.4Å; F1490-L1497 HydrophobicContact CE1-CD2 3.53Å; F1490-L1497 VanDerWaalsContact CE1-CD2 3.48Å; F1490-L1497 HydrophobicContact CE2-CD2 4.21Å; F1490-L1497 HydrophobicContact CG-CD2 4.17Å; F1490-L1497 HydrophobicContact CZ-CD2 3.78Å; L1497-L1510 HydrophobicContact CB-CD1 4.49Å; L1497-A1513 VanDerWaalsContact O-CA 3.29Å; L1497-A1513 WeakPolarHBondContact O-CA 3.39Å; L1497-V1514 HydrophobicContact CB-CB 4.31Å; L1497-V1514 PolarHBondContact N-O 3.13Å; L1497-V1514 PolarHBondContact O-N 3.07Å; L1497-V1514 VanDerWaalsContact O-N 3.12Å; L1497-I1516 HydrophobicContact CD2-CD1 4.18Å; L1497-I1516 HydrophobicContact CG-CD1 4.24Å; L1497-I1516 HydrophobicContact CG-CG1 4.39Å; L1497-W1523 HydrophobicContact CD1-CE3 4.05Å; L1497-W1523 HydrophobicContact CD1-CH2 4.37Å; L1497-W1523 HydrophobicContact CD1-CZ3 3.51Å; L1497-W1523 VanDerWaalsContact CD1-CZ3 3.49Å; L1497-L1527 HydrophobicContact CD1-CD1 4.3Å; L1497-L1527 HydrophobicContact CD1-CD2 4.15Å
1498T89.8Confident84.9Confident42.2 Ų42.243.9 Ų43.926%0.25927%0.268SS..EExtended strand (participates in β ladder)trans-109.5-32.1-17555.80000113H1489 Q1509 L1510H1489-T1498 PolarHBondContact O-N 2.95Å; H1489-T1498 PolarHBondContact O-OG1 3.16Å; H1489-T1498 VanDerWaalsContact O-OG1 3.07Å; T1498-Q1509 PolarHBondContact O-NE2 3.01Å; T1498-L1510 WeakPolarHBondContact O-CB 3.32Å; T1498-L1510 PolarHBondContact O-N 3.03Å
1499A90.3Very high85.1Confident0 Ų049.4 Ų49.40%029%0.293CS..EExtended strand (participates in β ladder)trans-148.5156.1179.500000112.3V1488 H1489 V1507 V1508V1488-A1499 CarbonylContact C-O 3.55Å; V1488-A1499 WeakPolarHBondContact CA-O 3.36Å; H1489-A1499 HydrophobicContact CB-CB 4.03Å; H1489-A1499 PolarHBondContact N-O 3.05Å; H1489-A1499 PolarHBondContact O-N 3.19Å; A1499-V1507 HydrophobicContact CB-CG1 3.94Å; A1499-V1508 VanDerWaalsContact CA-O 3.31Å; A1499-V1508 WeakPolarHBondContact CA-O 3.4Å; A1499-V1508 WeakPolarHBondContact CB-O 3.4Å
1500I91.9Very high85.2Confident1.6 Ų1.646 Ų461%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-10714817062.1171.5000109.6V1485 V1488 V1507 V1508 L1510 L1527 I1531 Y1670V1485-I1500 HydrophobicContact CG1-CB 4.06Å; V1485-I1500 HydrophobicContact CG1-CG2 4.33Å; V1485-I1500 HydrophobicContact CG2-CB 4.37Å; V1485-I1500 HydrophobicContact CG2-CD1 4.27Å; V1485-I1500 HydrophobicContact CG2-CG2 4.49Å; V1488-I1500 HydrophobicContact CG1-CG2 4.23Å; I1500-V1507 WeakPolarHBondContact O-CA 3.36Å; I1500-V1508 HydrophobicContact CD1-CB 4.16Å; I1500-V1508 HydrophobicContact CD1-CG2 4.46Å; I1500-V1508 HydrophobicContact CG1-CB 3.7Å; I1500-V1508 HydrophobicContact CG1-CG1 4.45Å; I1500-V1508 HydrophobicContact CG1-CG2 4.37Å; I1500-V1508 PolarHBondContact N-O 3.39Å; I1500-V1508 PolarHBondContact O-N 3.15Å; I1500-L1510 HydrophobicContact CG2-CD2 4.4Å; I1500-L1527 HydrophobicContact CG2-CD1 4.44Å; I1500-I1531 HydrophobicContact CD1-CD1 4.19Å; I1500-I1531 HydrophobicContact CD1-CG1 4.16Å; I1500-I1531 HydrophobicContact CD1-CG2 4.37Å; I1500-I1531 HydrophobicContact CG2-CD1 4.18Å; I1500-I1531 HydrophobicContact CG2-CG1 4.38Å; I1500-Y1670 HydrophobicContact CD1-CD1 3.75Å; I1500-Y1670 HydrophobicContact CD1-CD2 4.38Å; I1500-Y1670 HydrophobicContact CD1-CE1 4.06Å; I1500-Y1670 HydrophobicContact CD1-CG 3.9Å
1501V89.8Confident85.3Confident14 Ų1452.1 Ų52.19%0.08530%0.3CS..EExtended strand (participates in β ladder)trans-127130.1-178.2-171.10000109.6V1485 S1486 T1487 H1489 E1506 V1507V1485-V1501 CarbonylContact C-O 3.38Å; S1486-V1501 PolarHBondContact N-O 2.97Å; T1487-V1501 HydrophobicContact CG2-CB 3.71Å; T1487-V1501 HydrophobicContact CG2-CG1 4.17Å; T1487-V1501 HydrophobicContact CG2-CG2 4.04Å; T1487-V1501 PolarHBondContact N-O 3.25Å; T1487-V1501 PolarHBondContact O-N 3.02Å; T1487-V1501 WeakPolarHBondContact OG1-CB 3.16Å; H1489-V1501 VanDerWaalsContact CD2-CG2 3.49Å; H1489-V1501 WeakPolarHBondContact CD2-CG2 3.27Å; H1489-V1501 VanDerWaalsContact NE2-CG2 3.35Å; H1489-V1501 WeakPolarHBondContact NE2-CG2 3.38Å; V1501-E1506 CarbonylContact C-O 3.44Å; V1501-E1506 WeakPolarHBondContact CA-O 3.33Å; V1501-V1507 HydrophobicContact CG1-CG2 4.28Å; V1501-V1507 HydrophobicContact CG2-CG1 4.46Å; V1501-V1507 HydrophobicContact CG2-CG2 4.19Å
1502S87.3Confident85.5Confident3.6 Ų3.658 Ų583%0.02532%0.324CS..  trans-77.8170.5174.678.60000112.5S1486 D1504 G1505 E1506 Y1670S1486-S1502 VanDerWaalsContact CB-C 3.48Å; S1486-S1502 WeakPolarHBondContact CB-O 3.31Å; S1502-D1504 VanDerWaalsContact C-N 3.26Å; S1502-D1504 PolarHBondContact O-N 3.03Å; S1502-D1504 PolarHBondContact OG-N 3.05Å; S1502-G1505 PolarHBondContact O-N 3.08Å; S1502-G1505 VanDerWaalsContact O-N 3.14Å; S1502-G1505 PolarHBondContact OG-N 3.15Å; S1502-E1506 PolarHBondContact N-O 3.08Å; S1502-E1506 WeakPolarHBondContact OG-CA 3.45Å; S1502-E1506 VanDerWaalsContact OG-CB 3.29Å; S1502-E1506 WeakPolarHBondContact OG-CB 3.42Å; S1502-E1506 PolarHBondContact OG-N 3.15Å; S1502-E1506 PolarHBondContact OG-O 3.13Å; S1502-Y1670 VanDerWaalsContact CB-OH 3.32Å; S1502-Y1670 WeakPolarHBondContact CB-OH 3.3Å
1503A80.9Confident85.9Confident65.6 Ų65.653.5 Ų53.554%0.54230%0.299SS..THydrogen-bonded Turntrans-61.7-31.1174.700000113.2G1505A1503-G1505 VanDerWaalsContact C-N 3.3Å; A1503-G1505 PolarHBondContact O-N 3.15Å
1504D78.9Confident86.4Confident76.6 Ų76.649.9 Ų49.941%0.4127%0.274SS..THydrogen-bonded Turntrans-84.1-0.2178.2-60.1-49.5000113.1S1502 V1606 Q1673S1502-D1504 VanDerWaalsContact C-N 3.26Å; S1502-D1504 PolarHBondContact O-N 3.03Å; S1502-D1504 PolarHBondContact OG-N 3.05Å; D1504-V1606 WeakPolarHBondContact O-CG2 3.39Å; D1504-Q1673 HydrophobicContact CB-CB 4.32Å; D1504-Q1673 HydrophobicContact CB-CG 4.44Å; D1504-Q1673 WeakPolarHBondContact OD2-CB 3.25Å; D1504-Q1673 VanDerWaalsContact OD2-CG 3.25Å; D1504-Q1673 WeakPolarHBondContact OD2-CG 3.33Å
1505G83.4Confident86.9Confident39 Ų3953.9 Ų53.940%0.40229%0.286SS..  trans86.514.3-178.500000114.8S1502 A1503 V1507S1502-G1505 PolarHBondContact O-N 3.08Å; S1502-G1505 VanDerWaalsContact O-N 3.14Å; S1502-G1505 PolarHBondContact OG-N 3.15Å; A1503-G1505 VanDerWaalsContact C-N 3.3Å; A1503-G1505 PolarHBondContact O-N 3.15Å; G1505-V1507 PolarHBondContact O-N 3.2Å
1506E87.6Confident86.9Confident4.2 Ų4.248.3 Ų48.32%0.0226%0.262CS..  trans-70.1119.6171.6-175.6179.8-118.200109.9V1501 S1502 P1558 C1559 V1606 K1610 Y1670V1501-E1506 CarbonylContact C-O 3.44Å; V1501-E1506 WeakPolarHBondContact CA-O 3.33Å; S1502-E1506 PolarHBondContact N-O 3.08Å; S1502-E1506 WeakPolarHBondContact OG-CA 3.45Å; S1502-E1506 VanDerWaalsContact OG-CB 3.29Å; S1502-E1506 WeakPolarHBondContact OG-CB 3.42Å; S1502-E1506 PolarHBondContact OG-N 3.15Å; S1502-E1506 PolarHBondContact OG-O 3.13Å; E1506-P1558 VanDerWaalsContact OE1-CA 3.23Å; E1506-P1558 WeakPolarHBondContact OE1-CA 3.42Å; E1506-P1558 WeakPolarHBondContact OE1-CB 3.11Å; E1506-C1559 PolarHBondContact OE1-N 3.16Å; E1506-V1606 HydrophobicContact CB-CG1 4.16Å; E1506-V1606 HydrophobicContact CG-CG1 4.4Å; E1506-K1610 WeakPolarHBondContact OE1-CE 3.42Å; E1506-K1610 IonicContact OE1-NZ 2.73Å; E1506-K1610 PolarHBondContact OE1-NZ 2.93Å; E1506-Y1670 PolarHBondContact OE2-OH 3.16Å
1507V89.9Confident86.4Confident69.2 Ų69.251.6 Ų51.642%0.41928%0.278SS..EExtended strand (participates in β ladder)trans-99.2125179.4-176.10000110.1A1499 I1500 V1501 G1505A1499-V1507 HydrophobicContact CB-CG1 3.94Å; I1500-V1507 WeakPolarHBondContact O-CA 3.36Å; V1501-V1507 HydrophobicContact CG1-CG2 4.28Å; V1501-V1507 HydrophobicContact CG2-CG1 4.46Å; V1501-V1507 HydrophobicContact CG2-CG2 4.19Å; G1505-V1507 PolarHBondContact O-N 3.2Å
1508V90.8Very high85.3Confident5.6 Ų5.658.7 Ų58.73%0.03431%0.311CS..EExtended strand (participates in β ladder)trans-114111.7173.5-173.90000109.4A1499 I1500 L1510 T1534 L1538 P1558 Y1670A1499-V1508 VanDerWaalsContact CA-O 3.31Å; A1499-V1508 WeakPolarHBondContact CA-O 3.4Å; A1499-V1508 WeakPolarHBondContact CB-O 3.4Å; I1500-V1508 HydrophobicContact CD1-CB 4.16Å; I1500-V1508 HydrophobicContact CD1-CG2 4.46Å; I1500-V1508 HydrophobicContact CG1-CB 3.7Å; I1500-V1508 HydrophobicContact CG1-CG1 4.45Å; I1500-V1508 HydrophobicContact CG1-CG2 4.37Å; I1500-V1508 PolarHBondContact N-O 3.39Å; I1500-V1508 PolarHBondContact O-N 3.15Å; V1508-L1510 PolarHBondContact O-N 3.27Å; V1508-T1534 HydrophobicContact CG1-CG2 4.2Å; V1508-L1538 HydrophobicContact CG1-CD1 4.14Å; V1508-P1558 HydrophobicContact CB-CG 4.49Å; V1508-P1558 HydrophobicContact CG1-CG 4.05Å; V1508-P1558 HydrophobicContact CG2-CB 4Å; V1508-P1558 HydrophobicContact CG2-CG 4.13Å; V1508-Y1670 HydrophobicContact CG2-CE2 3.83Å
1509Q91.5Very high84Confident119.2 Ų119.262.2 Ų62.256%0.55733%0.328SS*.EExtended strand (participates in β ladder)trans-72.4124.3176.9-79.1-53.5-14.700110.4T1498 T1534T1498-Q1509 PolarHBondContact O-NE2 3.01Å; Q1509-T1534 VanDerWaalsContact O-CG2 3.29Å; Q1509-T1534 WeakPolarHBondContact O-CG2 3.36Å
1510L91.4Very high82.9Confident16.4 Ų16.465.2 Ų65.29%0.08634%0.344CS..EExtended strand (participates in β ladder)trans-73.8134.3178.1-62.1174.7000109.8L1497 T1498 I1500 V1508 K1512 V1514 L1527 I1531L1497-L1510 HydrophobicContact CB-CD1 4.49Å; T1498-L1510 WeakPolarHBondContact O-CB 3.32Å; T1498-L1510 PolarHBondContact O-N 3.03Å; I1500-L1510 HydrophobicContact CG2-CD2 4.4Å; V1508-L1510 PolarHBondContact O-N 3.27Å; L1510-K1512 VanDerWaalsContact C-N 3.31Å; L1510-K1512 PolarHBondContact O-N 2.83Å; L1510-V1514 HydrophobicContact CD1-CG2 4.32Å; L1510-L1527 HydrophobicContact CD1-CD1 3.85Å; L1510-I1531 HydrophobicContact CD2-CG1 3.92Å
1511R88.6Confident82Confident160.4 Ų160.466.5 Ų66.561%0.60535%0.349SS*.EExtended strand (participates in β ladder)trans-69.1-31.4176.6-87.6-81.1-171.6171.82.3112.5Y1533 T1534 N1537R1511-Y1533 HydrophobicContact CB-CD1 4.3Å; R1511-Y1533 HydrophobicContact CB-CE1 4.25Å; R1511-T1534 HydrophobicContact CG-CG2 4.24Å; R1511-T1534 PolarHBondContact N-OG1 3.1Å; R1511-T1534 VanDerWaalsContact N-OG1 3.1Å; R1511-N1537 HydrophobicContact CG-CB 4.49Å; R1511-N1537 PolarHBondContact NH1-OD1 3.37Å
1512K87Confident81.4Confident139.6 Ų139.667.9 Ų67.961%0.60736%0.362SS*.EExtended strand (participates in β ladder)trans-122.1116.5175.4-173.6179.7178.9-175.40108.1L1510 S1530L1510-K1512 VanDerWaalsContact C-N 3.31Å; L1510-K1512 PolarHBondContact O-N 2.83Å; K1512-S1530 PolarHBondContact O-OG 3.33Å
1513A86.9Confident81.3Confident51.2 Ų51.268.3 Ų68.342%0.42336%0.363SS..EExtended strand (participates in β ladder)trans-61.9143.1173.900000110L1497L1497-A1513 VanDerWaalsContact O-CA 3.29Å; L1497-A1513 WeakPolarHBondContact O-CA 3.39Å
1514V86.5Confident81.5Confident2.4 Ų2.465.2 Ų65.22%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-105.7116.4-177.8-177.70000108.4S1496 L1497 L1510 W1523 T1526 L1527S1496-V1514 CarbonylContact C-O 3.51Å; S1496-V1514 WeakPolarHBondContact CA-O 3.3Å; S1496-V1514 WeakPolarHBondContact CB-O 3.34Å; L1497-V1514 HydrophobicContact CB-CB 4.31Å; L1497-V1514 PolarHBondContact N-O 3.13Å; L1497-V1514 PolarHBondContact O-N 3.07Å; L1497-V1514 VanDerWaalsContact O-N 3.12Å; L1510-V1514 HydrophobicContact CD1-CG2 4.32Å; V1514-W1523 HydrophobicContact CG1-CB 4.15Å; V1514-W1523 HydrophobicContact CG1-CE3 4.36Å; V1514-W1523 WeakPolarHBondContact CG1-O 3.09Å; V1514-T1526 HydrophobicContact CG1-CG2 4.2Å; V1514-T1526 HydrophobicContact CG2-CG2 4.5Å; V1514-L1527 HydrophobicContact CG1-CB 4.4Å; V1514-L1527 HydrophobicContact CG2-CB 4.37Å; V1514-L1527 HydrophobicContact CG2-CD1 4.07Å
1515E83.6Confident81.8Confident147.8 Ų147.867.1 Ų67.169%0.69134%0.342SS*.EExtended strand (participates in β ladder)trans-76.5134.2176.4-65.1-177.5171.200110.5I1517 W1523E1515-I1517 PolarHBondContact O-N 2.87Å; E1515-W1523 VanDerWaalsContact O-CB 3.32Å; E1515-W1523 WeakPolarHBondContact O-CB 3.37Å
1516I78.5Confident82Confident33.2 Ų33.267.8 Ų67.817%0.1734%0.339CS..  trans-88.1110176.4-58.3169.7000106.8I1474 F1490 K1495 L1497 W1523I1474-I1516 HydrophobicContact CD1-CD1 3.98Å; I1474-I1516 HydrophobicContact CD1-CG2 4.43Å; F1490-I1516 HydrophobicContact CD1-CD1 4Å; F1490-I1516 HydrophobicContact CE1-CD1 3.52Å; F1490-I1516 VanDerWaalsContact CE1-CD1 3.48Å; K1495-I1516 PolarHBondContact O-N 3.14Å; L1497-I1516 HydrophobicContact CD2-CD1 4.18Å; L1497-I1516 HydrophobicContact CG-CD1 4.24Å; L1497-I1516 HydrophobicContact CG-CG1 4.39Å; I1516-W1523 HydrophobicContact CG1-CD2 4.45Å
1517I72.9Confident82.1Confident92 Ų9267.7 Ų67.747%0.47234%0.338SS..  trans-91.1126.7177.8-56.2173000108E1515 N1519 D1520E1515-I1517 PolarHBondContact O-N 2.87Å; I1517-N1519 PolarHBondContact O-N 3.23Å; I1517-D1520 HydrophobicContact CB-CB 4.28Å; I1517-D1520 HydrophobicContact CG2-CB 4.05Å; I1517-D1520 PolarHBondContact O-N 3.01Å
1518E64.4Low82.1Confident149 Ų14966.3 Ų66.370%0.69633%0.327SS*.THydrogen-bonded Turntrans-59.1134.4176.8-68.6177.7-172.800110.9D1520E1518-D1520 VanDerWaalsContact C-N 3.3Å; E1518-D1520 PolarHBondContact O-N 3.23Å; E1518-D1520 VanDerWaalsContact O-N 3.12Å
1519N61.7Low82Confident115.4 Ų115.471 Ų7162%0.61735%0.349SS*.THydrogen-bonded Turntrans61.36.6178.8-62.6-41.9000117.3I1517I1517-N1519 PolarHBondContact O-N 3.23Å
1520D68.3Low82Confident64.2 Ų64.265.7 Ų65.734%0.34333%0.325SS..  trans-121.5124.3174.8-168.81.4000112I1517 E1518 A1522 W1523I1517-D1520 HydrophobicContact CB-CB 4.28Å; I1517-D1520 HydrophobicContact CG2-CB 4.05Å; I1517-D1520 PolarHBondContact O-N 3.01Å; E1518-D1520 VanDerWaalsContact C-N 3.3Å; E1518-D1520 PolarHBondContact O-N 3.23Å; E1518-D1520 VanDerWaalsContact O-N 3.12Å; D1520-A1522 VanDerWaalsContact C-N 3.25Å; D1520-A1522 PolarHBondContact O-N 3.14Å; D1520-A1522 VanDerWaalsContact OD1-CB 3.23Å; D1520-A1522 WeakPolarHBondContact OD1-CB 3.4Å; D1520-A1522 PolarHBondContact OD1-N 3.34Å; D1520-A1522 VanDerWaalsContact OD1-N 3.15Å; D1520-A1522 WeakPolarHBondContact OD2-CB 3.3Å; D1520-W1523 PolarHBondContact O-NE1 3.06Å
1521W72.1Confident82Confident28.4 Ų28.465.4 Ų65.411%0.10832%0.323CS..THydrogen-bonded Turntrans-87.92.1179.6-43.196.1000113.3K1446 F1453 I1464 L1465 A1468 W1523 L1524K1446-W1521 HydrophobicContact CD-CH2 3.72Å; K1446-W1521 HydrophobicContact CD-CZ2 3.47Å; K1446-W1521 VanDerWaalsContact CD-CZ2 3.47Å; K1446-W1521 HydrophobicContact CG-CH2 4.36Å; K1446-W1521 HydrophobicContact CG-CZ2 4.37Å; F1453-W1521 HydrophobicContact CE2-CB 4.42Å; F1453-W1521 HydrophobicContact CE2-CG 4.36Å; F1453-W1521 HydrophobicContact CZ-CB 4.45Å; F1453-W1521 HydrophobicContact CZ-CD2 4.34Å; F1453-W1521 HydrophobicContact CZ-CE3 4.26Å; F1453-W1521 HydrophobicContact CZ-CG 4.38Å; I1464-W1521 HydrophobicContact CG2-CE3 4.4Å; I1464-W1521 HydrophobicContact CG2-CH2 3.45Å; I1464-W1521 VanDerWaalsContact CG2-CH2 3.42Å; I1464-W1521 HydrophobicContact CG2-CZ2 4.03Å; I1464-W1521 HydrophobicContact CG2-CZ3 3.58Å; I1464-W1521 VanDerWaalsContact O-CH2 3.29Å; I1464-W1521 WeakPolarHBondContact O-CH2 3.38Å; I1464-W1521 WeakPolarHBondContact O-CZ2 3.48Å; L1465-W1521 HydrophobicContact CD2-CE3 3.84Å; L1465-W1521 HydrophobicContact CD2-CZ2 3.81Å; L1465-W1521 HydrophobicContact CD2-CZ3 3.88Å; L1465-W1521 HydrophobicContact CG-CZ2 4.47Å; A1468-W1521 HydrophobicContact CB-CH2 3.37Å; A1468-W1521 HydrophobicContact CB-CZ2 3.75Å; A1468-W1521 VanDerWaalsContact CB-CZ2 3.43Å; A1468-W1521 HydrophobicContact CB-CZ3 4.21Å; W1521-W1523 HydrophobicContact CE3-CZ2 4.16Å; W1521-W1523 AromaticContact CE3-NE1 3.77Å; W1521-W1523 HydrophobicContact CZ3-CZ2 4.19Å; W1521-W1523 AromaticContact CZ3-NE1 3.99Å; W1521-W1523 PolarHBondContact O-N 3.22Å; W1521-W1523 VanDerWaalsContact O-N 3.11Å; W1521-L1524 HydrophobicContact CB-CD1 4.3Å; W1521-L1524 HydrophobicContact CE3-CD1 3.81Å; W1521-L1524 HydrophobicContact CE3-CG 4.4Å; W1521-L1524 HydrophobicContact CZ3-CD1 4.37Å; W1521-L1524 WeakPolarHBondContact O-CB 3.41Å; W1521-L1524 PolarHBondContact O-N 3.18Å
1522A77.8Confident82.1Confident43.8 Ų43.860.9 Ų60.936%0.36231%0.308SS..Hα-helixtrans-55.5-25.5174.700000112.8D1520 L1524 K1525 T1526D1520-A1522 VanDerWaalsContact C-N 3.25Å; D1520-A1522 PolarHBondContact O-N 3.14Å; D1520-A1522 VanDerWaalsContact OD1-CB 3.23Å; D1520-A1522 WeakPolarHBondContact OD1-CB 3.4Å; D1520-A1522 PolarHBondContact OD1-N 3.34Å; D1520-A1522 VanDerWaalsContact OD1-N 3.15Å; D1520-A1522 WeakPolarHBondContact OD2-CB 3.3Å; A1522-L1524 VanDerWaalsContact C-N 3.29Å; A1522-L1524 PolarHBondContact O-N 3.09Å; A1522-K1525 WeakPolarHBondContact O-CB 3.48Å; A1522-K1525 PolarHBondContact O-N 3.36Å; A1522-K1525 VanDerWaalsContact O-N 3.15Å; A1522-T1526 PolarHBondContact O-N 3.05Å; A1522-T1526 VanDerWaalsContact O-N 3.16Å; A1522-T1526 PolarHBondContact O-OG1 3.17Å; A1522-T1526 VanDerWaalsContact O-OG1 3.13Å
1523W84.6Confident82.4Confident10.6 Ų10.660.5 Ų60.54%0.0430%0.303CS..Hα-helixtrans-63.1-30.1175.375.2-102.1000112.9I1474 L1497 V1514 E1515 I1516 D1520 W1521 K1525 T1526 L1527I1474-W1523 HydrophobicContact CD1-CH2 4.41Å; I1474-W1523 HydrophobicContact CD1-CZ2 4.3Å; I1474-W1523 HydrophobicContact CG2-CH2 4.07Å; I1474-W1523 HydrophobicContact CG2-CZ2 4.42Å; L1497-W1523 HydrophobicContact CD1-CE3 4.05Å; L1497-W1523 HydrophobicContact CD1-CH2 4.37Å; L1497-W1523 HydrophobicContact CD1-CZ3 3.51Å; L1497-W1523 VanDerWaalsContact CD1-CZ3 3.49Å; V1514-W1523 HydrophobicContact CG1-CB 4.15Å; V1514-W1523 HydrophobicContact CG1-CE3 4.36Å; V1514-W1523 WeakPolarHBondContact CG1-O 3.09Å; E1515-W1523 VanDerWaalsContact O-CB 3.32Å; E1515-W1523 WeakPolarHBondContact O-CB 3.37Å; I1516-W1523 HydrophobicContact CG1-CD2 4.45Å; D1520-W1523 PolarHBondContact O-NE1 3.06Å; W1521-W1523 HydrophobicContact CE3-CZ2 4.16Å; W1521-W1523 AromaticContact CE3-NE1 3.77Å; W1521-W1523 HydrophobicContact CZ3-CZ2 4.19Å; W1521-W1523 AromaticContact CZ3-NE1 3.99Å; W1521-W1523 PolarHBondContact O-N 3.22Å; W1521-W1523 VanDerWaalsContact O-N 3.11Å; W1523-K1525 VanDerWaalsContact C-N 3.33Å; W1523-K1525 PolarHBondContact O-N 2.92Å; W1523-T1526 CarbonylContact O-C 3.56Å; W1523-T1526 WeakPolarHBondContact O-CB 3.41Å; W1523-T1526 PolarHBondContact O-N 3.22Å; W1523-L1527 HydrophobicContact CE3-CB 4.47Å; W1523-L1527 HydrophobicContact CZ3-CD2 4.05Å; W1523-L1527 WeakPolarHBondContact O-CB 3.28Å; W1523-L1527 PolarHBondContact O-N 3.27Å
1524L85.6Confident82.7Confident1.6 Ų1.658.1 Ų58.11%0.00828%0.284CS..Hα-helixtrans-66.6-38.8176.1-74.3170.1000111.7F1450 F1453 I1478 L1481 F1482 W1521 A1522 T1526 L1527 E1528F1450-L1524 HydrophobicContact CD1-CB 4.27Å; F1450-L1524 HydrophobicContact CD1-CD1 3.97Å; F1450-L1524 HydrophobicContact CD2-CB 4.24Å; F1450-L1524 HydrophobicContact CE1-CB 4.05Å; F1450-L1524 HydrophobicContact CE1-CD1 3.86Å; F1450-L1524 HydrophobicContact CE1-CD2 4.47Å; F1450-L1524 HydrophobicContact CE1-CG 4.38Å; F1450-L1524 HydrophobicContact CE2-CB 4Å; F1450-L1524 HydrophobicContact CG-CB 4.31Å; F1450-L1524 HydrophobicContact CG-CD1 4.47Å; F1450-L1524 HydrophobicContact CZ-CB 3.85Å; F1450-L1524 HydrophobicContact CZ-CD1 4.42Å; F1453-L1524 HydrophobicContact CE1-CD1 4.09Å; F1453-L1524 HydrophobicContact CE2-CD1 4.32Å; F1453-L1524 HydrophobicContact CZ-CD1 3.6Å; F1453-L1524 VanDerWaalsContact CZ-CD1 3.48Å; I1478-L1524 HydrophobicContact CD1-CD2 4.3Å; L1481-L1524 HydrophobicContact CD1-CD1 4.08Å; L1481-L1524 HydrophobicContact CD1-CD2 4.08Å; F1482-L1524 HydrophobicContact CE2-CD2 4.17Å; W1521-L1524 HydrophobicContact CB-CD1 4.3Å; W1521-L1524 HydrophobicContact CE3-CD1 3.81Å; W1521-L1524 HydrophobicContact CE3-CG 4.4Å; W1521-L1524 HydrophobicContact CZ3-CD1 4.37Å; W1521-L1524 WeakPolarHBondContact O-CB 3.41Å; W1521-L1524 PolarHBondContact O-N 3.18Å; A1522-L1524 VanDerWaalsContact C-N 3.29Å; A1522-L1524 PolarHBondContact O-N 3.09Å; L1524-T1526 VanDerWaalsContact C-N 3.34Å; L1524-L1527 WeakPolarHBondContact O-CB 3.34Å; L1524-L1527 PolarHBondContact O-N 3.08Å; L1524-E1528 PolarHBondContact O-N 3.11Å
1525K85Confident83Confident116.2 Ų116.258.1 Ų58.151%0.50528%0.283SS..Hα-helixtrans-66.9-42.3172.5-173.4-179.3176.4-1750110.7A1522 W1523 L1527 E1528 E1529A1522-K1525 WeakPolarHBondContact O-CB 3.48Å; A1522-K1525 PolarHBondContact O-N 3.36Å; A1522-K1525 VanDerWaalsContact O-N 3.15Å; W1523-K1525 VanDerWaalsContact C-N 3.33Å; W1523-K1525 PolarHBondContact O-N 2.92Å; K1525-L1527 VanDerWaalsContact C-N 3.26Å; K1525-L1527 PolarHBondContact O-N 3.11Å; K1525-E1528 WeakPolarHBondContact O-CB 3.34Å; K1525-E1528 PolarHBondContact O-N 3.01Å; K1525-E1529 VanDerWaalsContact CE-OE1 3.28Å; K1525-E1529 WeakPolarHBondContact CE-OE1 3.35Å; K1525-E1529 WeakPolarHBondContact O-CG 3.36Å; K1525-E1529 PolarHBondContact O-N 3.26Å
1526T88.3Confident83.3Confident54.4 Ų54.454.1 Ų54.133%0.33426%0.264SS..Hα-helixtrans-61.4-35.6174.1-54.10000111.8V1514 A1522 W1523 L1524 E1529 S1530V1514-T1526 HydrophobicContact CG1-CG2 4.2Å; V1514-T1526 HydrophobicContact CG2-CG2 4.5Å; A1522-T1526 PolarHBondContact O-N 3.05Å; A1522-T1526 VanDerWaalsContact O-N 3.16Å; A1522-T1526 PolarHBondContact O-OG1 3.17Å; A1522-T1526 VanDerWaalsContact O-OG1 3.13Å; W1523-T1526 CarbonylContact O-C 3.56Å; W1523-T1526 WeakPolarHBondContact O-CB 3.41Å; W1523-T1526 PolarHBondContact O-N 3.22Å; L1524-T1526 VanDerWaalsContact C-N 3.34Å; T1526-E1529 PolarHBondContact O-N 2.9Å; T1526-S1530 VanDerWaalsContact O-CB 3.23Å; T1526-S1530 WeakPolarHBondContact O-CB 3.31Å; T1526-S1530 PolarHBondContact O-N 3.06Å
1527L89.2Confident83.9Confident2 Ų254.2 Ų54.21%0.0127%0.265CS..Hα-helixtrans-65.3-47.9174.1178.364.9000111I1478 F1482 L1497 I1500 L1510 V1514 W1523 L1524 K1525 E1529 S1530 I1531I1478-L1527 HydrophobicContact CD1-CD2 4.18Å; F1482-L1527 HydrophobicContact CE2-CD2 4.06Å; F1482-L1527 HydrophobicContact CZ-CD2 4.41Å; L1497-L1527 HydrophobicContact CD1-CD1 4.3Å; L1497-L1527 HydrophobicContact CD1-CD2 4.15Å; I1500-L1527 HydrophobicContact CG2-CD1 4.44Å; L1510-L1527 HydrophobicContact CD1-CD1 3.85Å; V1514-L1527 HydrophobicContact CG1-CB 4.4Å; V1514-L1527 HydrophobicContact CG2-CB 4.37Å; V1514-L1527 HydrophobicContact CG2-CD1 4.07Å; W1523-L1527 HydrophobicContact CE3-CB 4.47Å; W1523-L1527 HydrophobicContact CZ3-CD2 4.05Å; W1523-L1527 WeakPolarHBondContact O-CB 3.28Å; W1523-L1527 PolarHBondContact O-N 3.27Å; L1524-L1527 WeakPolarHBondContact O-CB 3.34Å; L1524-L1527 PolarHBondContact O-N 3.08Å; K1525-L1527 VanDerWaalsContact C-N 3.26Å; K1525-L1527 PolarHBondContact O-N 3.11Å; L1527-E1529 VanDerWaalsContact C-N 3.32Å; L1527-E1529 PolarHBondContact O-N 3.27Å; L1527-S1530 PolarHBondContact O-N 3.22Å; L1527-I1531 HydrophobicContact CD1-CD1 4.1Å; L1527-I1531 HydrophobicContact CD1-CG1 4.25Å; L1527-I1531 HydrophobicContact CG-CD1 3.96Å; L1527-I1531 HydrophobicContact CG-CG1 4.49Å; L1527-I1531 VanDerWaalsContact O-CG1 3.24Å; L1527-I1531 WeakPolarHBondContact O-CG1 3.41Å; L1527-I1531 PolarHBondContact O-N 3.16Å
1528E88.4Confident84.8Confident39.2 Ų39.251.1 Ų51.118%0.18325%0.249CC..Hα-helixtrans-57.4-45.4175.6-175.4179.1147.600111.8R1452 F1482 L1524 K1525 I1531 K1532R1452-E1528 IonicContact CZ-OE2 2.98Å; R1452-E1528 IonicContact NE-OE2 3.33Å; R1452-E1528 PolarHBondContact NE-OE2 2.99Å; R1452-E1528 VanDerWaalsContact NE-OE2 3.09Å; R1452-E1528 VanDerWaalsContact NH2-CD 3.29Å; R1452-E1528 IonicContact NH2-OE1 3.35Å; R1452-E1528 IonicContact NH2-OE2 3.3Å; R1452-E1528 PolarHBondContact NH2-OE2 3.23Å; R1452-E1528 VanDerWaalsContact NH2-OE2 3.11Å; F1482-E1528 HydrophobicContact CE1-CB 4.34Å; F1482-E1528 HydrophobicContact CZ-CB 4.48Å; L1524-E1528 PolarHBondContact O-N 3.11Å; K1525-E1528 WeakPolarHBondContact O-CB 3.34Å; K1525-E1528 PolarHBondContact O-N 3.01Å; E1528-I1531 PolarHBondContact O-N 3.11Å; E1528-K1532 HydrophobicContact CG-CD 4.4Å; E1528-K1532 WeakPolarHBondContact O-CG 3.38Å; E1528-K1532 PolarHBondContact O-N 3.29Å; E1528-K1532 VanDerWaalsContact O-N 3.09Å; E1528-K1532 WeakPolarHBondContact OE1-CE 3.42Å; E1528-K1532 IonicContact OE1-NZ 3.17Å; E1528-K1532 PolarHBondContact OE1-NZ 3.07Å
1529E89.7Confident86.1Confident105 Ų10544.2 Ų44.249%0.49122%0.216SC..Hα-helixtrans-65.1-41.1176.7-70.9173.5-174.100112.1K1525 T1526 L1527 K1532 Y1533K1525-E1529 VanDerWaalsContact CE-OE1 3.28Å; K1525-E1529 WeakPolarHBondContact CE-OE1 3.35Å; K1525-E1529 WeakPolarHBondContact O-CG 3.36Å; K1525-E1529 PolarHBondContact O-N 3.26Å; T1526-E1529 PolarHBondContact O-N 2.9Å; L1527-E1529 VanDerWaalsContact C-N 3.32Å; L1527-E1529 PolarHBondContact O-N 3.27Å; E1529-K1532 PolarHBondContact O-N 2.92Å; E1529-Y1533 VanDerWaalsContact O-CB 3.28Å; E1529-Y1533 WeakPolarHBondContact O-CB 3.32Å; E1529-Y1533 PolarHBondContact O-N 3.22Å
1530S91.8Very high87.5Confident7.2 Ų7.243.1 Ų43.15%0.0521%0.208CC..Hα-helixtrans-65.4-38.6177.4-173.30000112.1K1512 T1526 L1527 Y1533 T1534K1512-S1530 PolarHBondContact O-OG 3.33Å; T1526-S1530 VanDerWaalsContact O-CB 3.23Å; T1526-S1530 WeakPolarHBondContact O-CB 3.31Å; T1526-S1530 PolarHBondContact O-N 3.06Å; L1527-S1530 PolarHBondContact O-N 3.22Å; S1530-Y1533 PolarHBondContact O-N 3.14Å; S1530-T1534 VanDerWaalsContact O-CB 3.26Å; S1530-T1534 WeakPolarHBondContact O-CB 3.39Å; S1530-T1534 PolarHBondContact O-N 3.02Å; S1530-T1534 PolarHBondContact O-OG1 3.16Å
1531I91.6Very high88.5Confident9.6 Ų9.641.5 Ų41.55%0.04920%0.204CC..Hα-helixtrans-63.4-51.5174.3-68.6168.1000109.9I1500 L1510 L1527 E1528 Y1533 T1534 L1535I1500-I1531 HydrophobicContact CD1-CD1 4.19Å; I1500-I1531 HydrophobicContact CD1-CG1 4.16Å; I1500-I1531 HydrophobicContact CD1-CG2 4.37Å; I1500-I1531 HydrophobicContact CG2-CD1 4.18Å; I1500-I1531 HydrophobicContact CG2-CG1 4.38Å; L1510-I1531 HydrophobicContact CD2-CG1 3.92Å; L1527-I1531 HydrophobicContact CD1-CD1 4.1Å; L1527-I1531 HydrophobicContact CD1-CG1 4.25Å; L1527-I1531 HydrophobicContact CG-CD1 3.96Å; L1527-I1531 HydrophobicContact CG-CG1 4.49Å; L1527-I1531 VanDerWaalsContact O-CG1 3.24Å; L1527-I1531 WeakPolarHBondContact O-CG1 3.41Å; L1527-I1531 PolarHBondContact O-N 3.16Å; E1528-I1531 PolarHBondContact O-N 3.11Å; I1531-Y1533 VanDerWaalsContact C-N 3.32Å; I1531-Y1533 PolarHBondContact O-N 3.14Å; I1531-T1534 PolarHBondContact O-N 3.07Å; I1531-L1535 HydrophobicContact CG2-CD1 3.94Å; I1531-L1535 HydrophobicContact CG2-CG 4.39Å; I1531-L1535 WeakPolarHBondContact O-CB 3.37Å; I1531-L1535 WeakPolarHBondContact O-CG 3.27Å; I1531-L1535 PolarHBondContact O-N 2.98Å
1532K91Very high89.3Confident66.6 Ų66.640.1 Ų40.129%0.2920%0.198SC..Hα-helixtrans-57-45.9177.7-75.7171.5176.4170.10111.6E1528 E1529 L1535 K1536 G1667 F1668E1528-K1532 HydrophobicContact CG-CD 4.4Å; E1528-K1532 WeakPolarHBondContact O-CG 3.38Å; E1528-K1532 PolarHBondContact O-N 3.29Å; E1528-K1532 VanDerWaalsContact O-N 3.09Å; E1528-K1532 WeakPolarHBondContact OE1-CE 3.42Å; E1528-K1532 IonicContact OE1-NZ 3.17Å; E1528-K1532 PolarHBondContact OE1-NZ 3.07Å; E1529-K1532 PolarHBondContact O-N 2.92Å; K1532-L1535 PolarHBondContact O-N 3.17Å; K1532-K1536 WeakPolarHBondContact O-CB 3.25Å; K1532-K1536 WeakPolarHBondContact O-CG 3.3Å; K1532-K1536 PolarHBondContact O-N 3.16Å; K1532-G1667 WeakPolarHBondContact CE-O 3.43Å; K1532-F1668 HydrophobicContact CB-CB 4.34Å; K1532-F1668 HydrophobicContact CG-CB 4.18Å; K1532-F1668 VanDerWaalsContact CG-O 3.31Å; K1532-F1668 WeakPolarHBondContact CG-O 3.41Å
1533Y91.9Very high89.9Confident130.6 Ų130.639.2 Ų39.251%0.51219%0.187SC..Hα-helixtrans-62.4-45177179.7-104.8000112.1R1511 E1529 S1530 I1531 L1535 K1536 N1537R1511-Y1533 HydrophobicContact CB-CD1 4.3Å; R1511-Y1533 HydrophobicContact CB-CE1 4.25Å; E1529-Y1533 VanDerWaalsContact O-CB 3.28Å; E1529-Y1533 WeakPolarHBondContact O-CB 3.32Å; E1529-Y1533 PolarHBondContact O-N 3.22Å; S1530-Y1533 PolarHBondContact O-N 3.14Å; I1531-Y1533 VanDerWaalsContact C-N 3.32Å; I1531-Y1533 PolarHBondContact O-N 3.14Å; Y1533-L1535 PolarHBondContact O-N 3.28Å; Y1533-K1536 PolarHBondContact O-N 3.18Å; Y1533-N1537 WeakPolarHBondContact CD1-ND2 3.39Å; Y1533-N1537 WeakPolarHBondContact CD2-ND2 3.28Å; Y1533-N1537 WeakPolarHBondContact CE1-ND2 3.41Å; Y1533-N1537 WeakPolarHBondContact CE2-ND2 3.37Å; Y1533-N1537 PolarHBondContact O-N 3.1Å; Y1533-N1537 VanDerWaalsContact O-N 3.1Å; Y1533-N1537 PolarHBondContact O-ND2 3.01Å; Y1533-N1537 VanDerWaalsContact O-ND2 3.12Å; Y1533-N1537 PolarHBondContact OH-ND2 3.28Å
1534T93.4Very high90.1Very high1.8 Ų1.841.1 Ų41.11%0.01120%0.202CC..Hα-helixtrans-61.1-46.6177.9-63.50000111V1508 Q1509 R1511 S1530 I1531 N1537 L1538V1508-T1534 HydrophobicContact CG1-CG2 4.2Å; Q1509-T1534 VanDerWaalsContact O-CG2 3.29Å; Q1509-T1534 WeakPolarHBondContact O-CG2 3.36Å; R1511-T1534 HydrophobicContact CG-CG2 4.24Å; R1511-T1534 PolarHBondContact N-OG1 3.1Å; R1511-T1534 VanDerWaalsContact N-OG1 3.1Å; S1530-T1534 VanDerWaalsContact O-CB 3.26Å; S1530-T1534 WeakPolarHBondContact O-CB 3.39Å; S1530-T1534 PolarHBondContact O-N 3.02Å; S1530-T1534 PolarHBondContact O-OG1 3.16Å; I1531-T1534 PolarHBondContact O-N 3.07Å; T1534-N1537 PolarHBondContact O-N 3.12Å; T1534-L1538 HydrophobicContact CG2-CD1 3.96Å; T1534-L1538 HydrophobicContact CG2-CG 4.42Å; T1534-L1538 WeakPolarHBondContact O-CB 3.42Å; T1534-L1538 VanDerWaalsContact O-CG 3.27Å; T1534-L1538 WeakPolarHBondContact O-CG 3.41Å; T1534-L1538 PolarHBondContact O-N 3.24Å
1535L92.4Very high90.2Very high1.2 Ų1.241.7 Ų41.71%0.00621%0.207CC..Hα-helixtrans-63.8-42.5178.3-70177.5000112.5I1531 K1532 Y1533 N1537 L1538 L1539 P1558 I1561 F1668 Y1670I1531-L1535 HydrophobicContact CG2-CD1 3.94Å; I1531-L1535 HydrophobicContact CG2-CG 4.39Å; I1531-L1535 WeakPolarHBondContact O-CB 3.37Å; I1531-L1535 WeakPolarHBondContact O-CG 3.27Å; I1531-L1535 PolarHBondContact O-N 2.98Å; K1532-L1535 PolarHBondContact O-N 3.17Å; Y1533-L1535 PolarHBondContact O-N 3.28Å; L1535-N1537 VanDerWaalsContact C-N 3.32Å; L1535-N1537 PolarHBondContact O-N 3.3Å; L1535-L1538 PolarHBondContact O-N 3.06Å; L1535-L1539 WeakPolarHBondContact O-CB 3.21Å; L1535-L1539 PolarHBondContact O-N 3.09Å; L1535-P1558 HydrophobicContact CD2-CG 4.39Å; L1535-I1561 HydrophobicContact CB-CD1 4.12Å; L1535-I1561 HydrophobicContact CD2-CD1 4.01Å; L1535-I1561 HydrophobicContact CD2-CG1 3.92Å; L1535-I1561 WeakPolarHBondContact O-CD1 3.38Å; L1535-F1668 HydrophobicContact CB-CD1 4.2Å; L1535-F1668 WeakPolarHBondContact CD1-O 3.3Å; L1535-Y1670 HydrophobicContact CD1-CD2 4.46Å; L1535-Y1670 HydrophobicContact CD2-CD2 4.41Å
1536K91.2Very high90.2Very high65 Ų6537.6 Ų37.628%0.28319%0.191SC..Hα-helixtrans-58.7-46.2173.9-91.8-176.2178.4-166.80112K1532 Y1533 L1538 L1539 Q1540 A1652 G1653 D1654 F1668K1532-K1536 WeakPolarHBondContact O-CB 3.25Å; K1532-K1536 WeakPolarHBondContact O-CG 3.3Å; K1532-K1536 PolarHBondContact O-N 3.16Å; Y1533-K1536 PolarHBondContact O-N 3.18Å; K1536-L1538 PolarHBondContact O-N 2.86Å; K1536-L1539 WeakPolarHBondContact O-CB 3.32Å; K1536-L1539 PolarHBondContact O-N 3.17Å; K1536-Q1540 WeakPolarHBondContact O-CG 3.45Å; K1536-Q1540 PolarHBondContact O-N 3.11Å; K1536-A1652 PolarHBondContact NZ-O 3.36Å; K1536-G1653 VanDerWaalsContact CE-O 3.29Å; K1536-G1653 WeakPolarHBondContact CE-O 3.32Å; K1536-D1654 WeakPolarHBondContact CE-OD1 3.2Å; K1536-D1654 IonicContact NZ-OD1 3.19Å; K1536-D1654 PolarHBondContact NZ-OD1 2.85Å; K1536-F1668 HydrophobicContact CB-CD1 4.42Å; K1536-F1668 HydrophobicContact CB-CE1 4.34Å; K1536-F1668 HydrophobicContact CB-CZ 4.41Å; K1536-F1668 HydrophobicContact CD-CD2 4.31Å; K1536-F1668 HydrophobicContact CD-CE2 4.27Å; K1536-F1668 VanDerWaalsContact CE-CD2 3.45Å; K1536-F1668 HydrophobicContact CG-CD1 3.68Å; K1536-F1668 HydrophobicContact CG-CD2 3.87Å; K1536-F1668 HydrophobicContact CG-CE1 3.64Å; K1536-F1668 HydrophobicContact CG-CE2 3.82Å; K1536-F1668 HydrophobicContact CG-CG 3.79Å; K1536-F1668 HydrophobicContact CG-CZ 3.85Å
1537N91.5Very high90Very high34.6 Ų34.641.5 Ų41.519%0.18521%0.209CC..Hα-helixtrans-65.6-40.7178.1-78.1-58.5000112.7R1511 Y1533 T1534 L1535 L1539 Q1540 A1541R1511-N1537 HydrophobicContact CG-CB 4.49Å; R1511-N1537 PolarHBondContact NH1-OD1 3.37Å; Y1533-N1537 WeakPolarHBondContact CD1-ND2 3.39Å; Y1533-N1537 WeakPolarHBondContact CD2-ND2 3.28Å; Y1533-N1537 WeakPolarHBondContact CE1-ND2 3.41Å; Y1533-N1537 WeakPolarHBondContact CE2-ND2 3.37Å; Y1533-N1537 PolarHBondContact O-N 3.1Å; Y1533-N1537 VanDerWaalsContact O-N 3.1Å; Y1533-N1537 PolarHBondContact O-ND2 3.01Å; Y1533-N1537 VanDerWaalsContact O-ND2 3.12Å; Y1533-N1537 PolarHBondContact OH-ND2 3.28Å; T1534-N1537 PolarHBondContact O-N 3.12Å; L1535-N1537 VanDerWaalsContact C-N 3.32Å; L1535-N1537 PolarHBondContact O-N 3.3Å; N1537-L1539 VanDerWaalsContact C-N 3.31Å; N1537-L1539 PolarHBondContact O-N 2.99Å; N1537-Q1540 PolarHBondContact O-N 3.21Å; N1537-A1541 WeakPolarHBondContact O-CB 3.35Å; N1537-A1541 PolarHBondContact O-N 3.13Å
1538L91.8Very high89.8Confident27.2 Ų27.249 Ų4914%0.14224%0.242CC..Hα-helixtrans-63.9-38.3176-72.3173.3000111.4V1508 T1534 L1535 K1536 A1541 A1542 Y1557 P1558 I1561V1508-L1538 HydrophobicContact CG1-CD1 4.14Å; T1534-L1538 HydrophobicContact CG2-CD1 3.96Å; T1534-L1538 HydrophobicContact CG2-CG 4.42Å; T1534-L1538 WeakPolarHBondContact O-CB 3.42Å; T1534-L1538 VanDerWaalsContact O-CG 3.27Å; T1534-L1538 WeakPolarHBondContact O-CG 3.41Å; T1534-L1538 PolarHBondContact O-N 3.24Å; L1535-L1538 PolarHBondContact O-N 3.06Å; K1536-L1538 PolarHBondContact O-N 2.86Å; L1538-A1541 PolarHBondContact O-N 3.1Å; L1538-A1542 WeakPolarHBondContact O-CB 3.43Å; L1538-A1542 PolarHBondContact O-N 3.1Å; L1538-Y1557 HydrophobicContact CB-CD1 4.48Å; L1538-Y1557 HydrophobicContact CD2-CD1 4.4Å; L1538-Y1557 WeakPolarHBondContact O-CE1 3.47Å; L1538-P1558 HydrophobicContact CD1-CG 3.99Å; L1538-I1561 HydrophobicContact CB-CG1 4.31Å; L1538-I1561 HydrophobicContact CB-CG2 4.32Å
1539L91.6Very high89.3Confident3 Ų350.3 Ų50.32%0.01627%0.265CS..Hα-helixtrans-63.2-47.6174-178.264.6000111.9L1535 K1536 N1537 A1541 A1542 L1543 I1561 L1564 A1565 I1568 V1655 F1668L1535-L1539 WeakPolarHBondContact O-CB 3.21Å; L1535-L1539 PolarHBondContact O-N 3.09Å; K1536-L1539 WeakPolarHBondContact O-CB 3.32Å; K1536-L1539 PolarHBondContact O-N 3.17Å; N1537-L1539 VanDerWaalsContact C-N 3.31Å; N1537-L1539 PolarHBondContact O-N 2.99Å; L1539-A1541 VanDerWaalsContact C-N 3.28Å; L1539-A1541 PolarHBondContact O-N 3.2Å; L1539-A1542 PolarHBondContact O-N 3.13Å; L1539-A1542 VanDerWaalsContact O-N 3.14Å; L1539-L1543 HydrophobicContact CD1-CD1 4.13Å; L1539-L1543 HydrophobicContact CD1-CG 4.13Å; L1539-L1543 HydrophobicContact CD2-CD1 4.44Å; L1539-L1543 HydrophobicContact CG-CD1 3.89Å; L1539-L1543 HydrophobicContact CG-CG 4.31Å; L1539-L1543 WeakPolarHBondContact O-CB 3.32Å; L1539-L1543 WeakPolarHBondContact O-CG 3.38Å; L1539-L1543 PolarHBondContact O-N 3.08Å; L1539-I1561 HydrophobicContact CB-CD1 4.25Å; L1539-I1561 HydrophobicContact CB-CG2 4.24Å; L1539-I1561 HydrophobicContact CD1-CG2 4.27Å; L1539-L1564 HydrophobicContact CD1-CB 4.37Å; L1539-L1564 HydrophobicContact CD1-CD2 4.02Å; L1539-L1564 HydrophobicContact CD1-CG 4.02Å; L1539-L1564 HydrophobicContact CD2-CD2 3.76Å; L1539-L1564 HydrophobicContact CD2-CG 4.4Å; L1539-L1564 HydrophobicContact CG-CD2 4.48Å; L1539-A1565 HydrophobicContact CD1-CB 4.07Å; L1539-I1568 HydrophobicContact CD1-CD1 4.23Å; L1539-I1568 HydrophobicContact CD2-CD1 4.34Å; L1539-V1655 HydrophobicContact CD2-CG2 3.4Å; L1539-V1655 VanDerWaalsContact CD2-CG2 3.45Å; L1539-F1668 HydrophobicContact CD2-CE1 3.94Å; L1539-F1668 HydrophobicContact CD2-CZ 4.11Å
1540Q89.6Confident88.9Confident92.2 Ų92.249.8 Ų49.843%0.43127%0.265SS..Hα-helixtrans-59.7-41.2176.9-72178.4-8.100111.5K1536 N1537 S1544K1536-Q1540 WeakPolarHBondContact O-CG 3.45Å; K1536-Q1540 PolarHBondContact O-N 3.11Å; N1537-Q1540 PolarHBondContact O-N 3.21Å; Q1540-S1544 VanDerWaalsContact O-CB 3.28Å; Q1540-S1544 WeakPolarHBondContact O-CB 3.43Å; Q1540-S1544 PolarHBondContact O-N 3.16Å; Q1540-S1544 PolarHBondContact O-OG 3.14Å
1541A89.7Confident88.1Confident31.2 Ų31.254.9 Ų54.926%0.25830%0.298SS..Hα-helixtrans-62.7-43.9174.700000112N1537 L1538 L1539 S1544 A1545 Y1557N1537-A1541 WeakPolarHBondContact O-CB 3.35Å; N1537-A1541 PolarHBondContact O-N 3.13Å; L1538-A1541 PolarHBondContact O-N 3.1Å; L1539-A1541 VanDerWaalsContact C-N 3.28Å; L1539-A1541 PolarHBondContact O-N 3.2Å; A1541-S1544 WeakPolarHBondContact CA-OG 3.46Å; A1541-S1544 PolarHBondContact O-N 3.26Å; A1541-S1544 PolarHBondContact O-OG 3.1Å; A1541-A1545 WeakPolarHBondContact O-CB 3.34Å; A1541-A1545 PolarHBondContact O-N 3.25Å; A1541-A1545 VanDerWaalsContact O-N 3.12Å; A1541-Y1557 HydrophobicContact CB-CE1 4.21Å; A1541-Y1557 PolarHBondContact O-OH 3.21Å
1542A90Very high87.5Confident0 Ų055.8 Ų55.80%030%0.303CS..Hα-helixtrans-64.5-47.2177.300000112.1L1538 L1539 S1544 A1545 I1546 L1552 Y1557 I1561 A1565L1538-A1542 WeakPolarHBondContact O-CB 3.43Å; L1538-A1542 PolarHBondContact O-N 3.1Å; L1539-A1542 PolarHBondContact O-N 3.13Å; L1539-A1542 VanDerWaalsContact O-N 3.14Å; A1542-S1544 VanDerWaalsContact C-N 3.32Å; A1542-S1544 PolarHBondContact O-N 3.24Å; A1542-A1545 WeakPolarHBondContact O-CB 3.43Å; A1542-A1545 PolarHBondContact O-N 3.23Å; A1542-A1545 VanDerWaalsContact O-N 3.16Å; A1542-I1546 WeakPolarHBondContact O-CG1 3.37Å; A1542-I1546 PolarHBondContact O-N 3.1Å; A1542-L1552 HydrophobicContact CB-CD1 4.47Å; A1542-L1552 HydrophobicContact CB-CD2 3.92Å; A1542-Y1557 HydrophobicContact CB-CD1 4.13Å; A1542-Y1557 HydrophobicContact CB-CE1 3.91Å; A1542-I1561 HydrophobicContact CB-CG2 4.18Å; A1542-A1565 HydrophobicContact CB-CB 4.02Å
1543L89.5Confident87Confident23.2 Ų23.256.1 Ų56.112%0.12131%0.308CS..Hα-helixtrans-63.7-37.6177.2-69.1172.9000112.2L1539 A1545 I1546 N1547 A1565 I1568 V1649L1539-L1543 HydrophobicContact CD1-CD1 4.13Å; L1539-L1543 HydrophobicContact CD1-CG 4.13Å; L1539-L1543 HydrophobicContact CD2-CD1 4.44Å; L1539-L1543 HydrophobicContact CG-CD1 3.89Å; L1539-L1543 HydrophobicContact CG-CG 4.31Å; L1539-L1543 WeakPolarHBondContact O-CB 3.32Å; L1539-L1543 WeakPolarHBondContact O-CG 3.38Å; L1539-L1543 PolarHBondContact O-N 3.08Å; L1543-A1545 VanDerWaalsContact C-N 3.32Å; L1543-A1545 PolarHBondContact O-N 3.07Å; L1543-I1546 HydrophobicContact CD2-CD1 4.33Å; L1543-I1546 PolarHBondContact O-N 3.29Å; L1543-N1547 WeakPolarHBondContact O-CB 3.37Å; L1543-N1547 VanDerWaalsContact O-CG 3.25Å; L1543-N1547 PolarHBondContact O-N 3.32Å; L1543-N1547 PolarHBondContact O-ND2 3.09Å; L1543-A1565 HydrophobicContact CD2-CB 4.25Å; L1543-I1568 HydrophobicContact CD1-CD1 4.29Å; L1543-I1568 HydrophobicContact CD2-CB 4.13Å; L1543-I1568 HydrophobicContact CD2-CD1 4.36Å; L1543-I1568 HydrophobicContact CD2-CG2 3.86Å; L1543-V1649 HydrophobicContact CD1-CG2 3.69Å
1544S88.6Confident86.4Confident52.2 Ų52.251.1 Ų51.137%0.36529%0.291SS..Hα-helixtrans-64.8-37174.689.40000112.2Q1540 A1541 A1542 N1547 K1548Q1540-S1544 VanDerWaalsContact O-CB 3.28Å; Q1540-S1544 WeakPolarHBondContact O-CB 3.43Å; Q1540-S1544 PolarHBondContact O-N 3.16Å; Q1540-S1544 PolarHBondContact O-OG 3.14Å; A1541-S1544 WeakPolarHBondContact CA-OG 3.46Å; A1541-S1544 PolarHBondContact O-N 3.26Å; A1541-S1544 PolarHBondContact O-OG 3.1Å; A1542-S1544 VanDerWaalsContact C-N 3.32Å; A1542-S1544 PolarHBondContact O-N 3.24Å; S1544-N1547 PolarHBondContact O-N 3.05Å; S1544-K1548 VanDerWaalsContact O-CG 3.28Å; S1544-K1548 WeakPolarHBondContact O-CG 3.39Å; S1544-K1548 PolarHBondContact O-N 3.22Å; S1544-K1548 VanDerWaalsContact O-N 3.13Å
1545A88.4Confident85.8Confident13.4 Ų13.454.7 Ų54.711%0.11132%0.316CS..Hα-helixtrans-66.4-45.6174.400000111.3A1541 A1542 L1543 N1547 K1548 G1549 I1550 L1552A1541-A1545 WeakPolarHBondContact O-CB 3.34Å; A1541-A1545 PolarHBondContact O-N 3.25Å; A1541-A1545 VanDerWaalsContact O-N 3.12Å; A1542-A1545 WeakPolarHBondContact O-CB 3.43Å; A1542-A1545 PolarHBondContact O-N 3.23Å; A1542-A1545 VanDerWaalsContact O-N 3.16Å; L1543-A1545 VanDerWaalsContact C-N 3.32Å; L1543-A1545 PolarHBondContact O-N 3.07Å; A1545-N1547 VanDerWaalsContact C-N 3.34Å; A1545-N1547 PolarHBondContact O-N 3.12Å; A1545-K1548 CarbonylContact O-C 3.46Å; A1545-K1548 PolarHBondContact O-N 3.03Å; A1545-K1548 VanDerWaalsContact O-N 3.15Å; A1545-G1549 PolarHBondContact O-N 3.13Å; A1545-I1550 CarbonylContact C-O 3.57Å; A1545-I1550 HydrophobicContact CB-CB 4.36Å; A1545-I1550 PolarHBondContact O-N 3.16Å; A1545-L1552 HydrophobicContact CB-CD2 4.18Å
1546I85.4Confident85.5Confident30 Ų3061.8 Ų61.815%0.15435%0.347CS..Hα-helixtrans-56.5-48.5174.3-70.3164.6000110.8A1542 L1543 K1548 G1549 L1552 A1565 R1569A1542-I1546 WeakPolarHBondContact O-CG1 3.37Å; A1542-I1546 PolarHBondContact O-N 3.1Å; L1543-I1546 HydrophobicContact CD2-CD1 4.33Å; L1543-I1546 PolarHBondContact O-N 3.29Å; I1546-K1548 PolarHBondContact O-N 3.26Å; I1546-G1549 PolarHBondContact O-N 3.19Å; I1546-L1552 HydrophobicContact CD1-CD1 3.63Å; I1546-L1552 HydrophobicContact CD1-CG 4.28Å; I1546-L1552 HydrophobicContact CG1-CD1 3.79Å; I1546-L1552 HydrophobicContact CG1-CD2 4.24Å; I1546-L1552 HydrophobicContact CG1-CG 3.89Å; I1546-A1565 HydrophobicContact CD1-CB 3.81Å; I1546-R1569 HydrophobicContact CD1-CB 4.34Å; I1546-R1569 HydrophobicContact CG2-CB 4.3Å; I1546-R1569 VanDerWaalsContact CG2-CD 3.46Å; I1546-R1569 HydrophobicContact CG2-CG 3.78Å
1547N84.5Confident85.3Confident136 Ų13659.9 Ų59.973%0.72734%0.339SS*.Hα-helixtrans-65-26.2-178.9-72.9-19.4000112.8L1543 S1544 A1545 G1549L1543-N1547 WeakPolarHBondContact O-CB 3.37Å; L1543-N1547 VanDerWaalsContact O-CG 3.25Å; L1543-N1547 PolarHBondContact O-N 3.32Å; L1543-N1547 PolarHBondContact O-ND2 3.09Å; S1544-N1547 PolarHBondContact O-N 3.05Å; A1545-N1547 VanDerWaalsContact C-N 3.34Å; A1545-N1547 PolarHBondContact O-N 3.12Å; N1547-G1549 VanDerWaalsContact C-N 3.28Å
1548K84.7Confident85.3Confident160.4 Ų160.458.6 Ų58.670%0.69733%0.332SS*.THydrogen-bonded Turntrans-82.4-1.3172.9-71.2174.2-178.3-178.80113.5S1544 A1545 I1546 I1550S1544-K1548 VanDerWaalsContact O-CG 3.28Å; S1544-K1548 WeakPolarHBondContact O-CG 3.39Å; S1544-K1548 PolarHBondContact O-N 3.22Å; S1544-K1548 VanDerWaalsContact O-N 3.13Å; A1545-K1548 CarbonylContact O-C 3.46Å; A1545-K1548 PolarHBondContact O-N 3.03Å; A1545-K1548 VanDerWaalsContact O-N 3.15Å; I1546-K1548 PolarHBondContact O-N 3.26Å; K1548-I1550 VanDerWaalsContact C-N 3.28Å; K1548-I1550 HydrophobicContact CB-CD1 4.02Å; K1548-I1550 HydrophobicContact CB-CG1 4.07Å; K1548-I1550 HydrophobicContact CD-CD1 4.31Å; K1548-I1550 PolarHBondContact O-N 3.06Å
1549G78.2Confident85.2Confident65 Ų6557.6 Ų57.667%0.6733%0.327SS*.THydrogen-bonded Turntrans74.314.1-176.400000114.3A1545 I1546 N1547A1545-G1549 PolarHBondContact O-N 3.13Å; I1546-G1549 PolarHBondContact O-N 3.19Å; N1547-G1549 VanDerWaalsContact C-N 3.28Å
1550I80.1Confident85.2Confident94.4 Ų94.457.8 Ų57.848%0.48433%0.328SS..PPolyproline II helixtrans-83.5123.8178.4-57.5170.2000108A1545 K1548 L1552A1545-I1550 CarbonylContact C-O 3.57Å; A1545-I1550 HydrophobicContact CB-CB 4.36Å; A1545-I1550 PolarHBondContact O-N 3.16Å; K1548-I1550 VanDerWaalsContact C-N 3.28Å; K1548-I1550 HydrophobicContact CB-CD1 4.02Å; K1548-I1550 HydrophobicContact CB-CG1 4.07Å; K1548-I1550 HydrophobicContact CD-CD1 4.31Å; K1548-I1550 PolarHBondContact O-N 3.06Å; I1550-L1552 PolarHBondContact O-N 3.02Å
1551P75.8Confident85.3Confident116.2 Ų116.253.4 Ų53.476%0.75531%0.307SS*.PPolyproline II helixtrans-61.6136.6176.424.8-32.2000110.5D1553P1551-D1553 PolarHBondContact O-N 3.14Å
1552L79.4Confident85.3Confident27.4 Ų27.452 Ų5214%0.14330%0.296CS..PPolyproline II helixtrans-71.3119.1177.6-72.2177000110A1542 A1545 I1546 I1550 P1554 Y1557 L1562 A1565A1542-L1552 HydrophobicContact CB-CD1 4.47Å; A1542-L1552 HydrophobicContact CB-CD2 3.92Å; A1545-L1552 HydrophobicContact CB-CD2 4.18Å; I1546-L1552 HydrophobicContact CD1-CD1 3.63Å; I1546-L1552 HydrophobicContact CD1-CG 4.28Å; I1546-L1552 HydrophobicContact CG1-CD1 3.79Å; I1546-L1552 HydrophobicContact CG1-CD2 4.24Å; I1546-L1552 HydrophobicContact CG1-CG 3.89Å; I1550-L1552 PolarHBondContact O-N 3.02Å; L1552-P1554 VanDerWaalsContact O-CD 3.29Å; L1552-P1554 WeakPolarHBondContact O-CD 3.31Å; L1552-Y1557 HydrophobicContact CD2-CD2 4.28Å; L1552-Y1557 HydrophobicContact CD2-CE2 3.9Å; L1552-L1562 HydrophobicContact CB-CD2 4.15Å; L1552-L1562 HydrophobicContact CD1-CD2 4.3Å; L1552-A1565 HydrophobicContact CD1-CB 4.22Å
1553D80.2Confident85.4Confident73 Ų7352.1 Ų52.139%0.3930%0.296SS..  trans-75.3115.4171-179.9-0.9000110P1551 S1555 K1556P1551-D1553 PolarHBondContact O-N 3.14Å; D1553-S1555 PolarHBondContact O-N 3.07Å; D1553-S1555 VanDerWaalsContact O-N 3.14Å; D1553-S1555 VanDerWaalsContact OD1-CB 3.27Å; D1553-S1555 WeakPolarHBondContact OD1-CB 3.34Å; D1553-S1555 PolarHBondContact OD1-N 3.25Å; D1553-S1555 PolarHBondContact OD1-OG 2.87Å; D1553-S1555 VanDerWaalsContact OD1-OG 3.06Å; D1553-S1555 PolarHBondContact OD2-OG 3.02Å; D1553-S1555 VanDerWaalsContact OD2-OG 3.08Å; D1553-K1556 HydrophobicContact CB-CB 4.41Å; D1553-K1556 HydrophobicContact CB-CD 4.11Å; D1553-K1556 HydrophobicContact CB-CG 4.25Å; D1553-K1556 PolarHBondContact O-N 3.08Å; D1553-K1556 VanDerWaalsContact OD2-CE 3.28Å; D1553-K1556 WeakPolarHBondContact OD2-CE 3.39Å; D1553-K1556 IonicContact OD2-NZ 3.52Å
1554P79.6Confident85.5Confident24.8 Ų24.851.2 Ų51.216%0.16129%0.291CS..THydrogen-bonded Turntrans-63.3-19.8-179.4-20.533.2000113.8L1552 K1556 L1562 L1607 K1610 L1611 L1614L1552-P1554 VanDerWaalsContact O-CD 3.29Å; L1552-P1554 WeakPolarHBondContact O-CD 3.31Å; P1554-K1556 VanDerWaalsContact C-N 3.35Å; P1554-L1562 HydrophobicContact CB-CD1 4.11Å; P1554-L1607 HydrophobicContact CB-CD1 3.68Å; P1554-L1607 HydrophobicContact CB-CD2 4.07Å; P1554-L1607 HydrophobicContact CG-CD1 4.36Å; P1554-K1610 VanDerWaalsContact O-CD 3.28Å; P1554-K1610 WeakPolarHBondContact O-CD 3.37Å; P1554-K1610 PolarHBondContact O-NZ 3.1Å; P1554-K1610 VanDerWaalsContact O-NZ 3.13Å; P1554-L1611 HydrophobicContact CG-CD2 4.33Å; P1554-L1614 HydrophobicContact CG-CD1 4.45Å
1555S80.6Confident85.7Confident78 Ų7848.7 Ų48.755%0.54527%0.274SS..THydrogen-bonded Turntrans-72.8-31.8179.9-8.10000112.3D1553D1553-S1555 PolarHBondContact O-N 3.07Å; D1553-S1555 VanDerWaalsContact O-N 3.14Å; D1553-S1555 VanDerWaalsContact OD1-CB 3.27Å; D1553-S1555 WeakPolarHBondContact OD1-CB 3.34Å; D1553-S1555 PolarHBondContact OD1-N 3.25Å; D1553-S1555 PolarHBondContact OD1-OG 2.87Å; D1553-S1555 VanDerWaalsContact OD1-OG 3.06Å; D1553-S1555 PolarHBondContact OD2-OG 3.02Å; D1553-S1555 VanDerWaalsContact OD2-OG 3.08Å
1556K84.4Confident85.8Confident151 Ų15149.5 Ų49.566%0.65728%0.275SS*.THydrogen-bonded Turntrans-84-31-171.9-136.7177.1-177.3174.20114.3D1553 P1554D1553-K1556 HydrophobicContact CB-CB 4.41Å; D1553-K1556 HydrophobicContact CB-CD 4.11Å; D1553-K1556 HydrophobicContact CB-CG 4.25Å; D1553-K1556 PolarHBondContact O-N 3.08Å; D1553-K1556 VanDerWaalsContact OD2-CE 3.28Å; D1553-K1556 WeakPolarHBondContact OD2-CE 3.39Å; D1553-K1556 IonicContact OD2-NZ 3.52Å; P1554-K1556 VanDerWaalsContact C-N 3.35Å
1557Y88.4Confident86.1Confident25.6 Ų25.649.5 Ų49.510%0.127%0.273CS..SBendtrans-110.9147.8-173.7-62.4-83.4000111.1L1538 A1541 A1542 L1552 I1561 L1562 K1610L1538-Y1557 HydrophobicContact CB-CD1 4.48Å; L1538-Y1557 HydrophobicContact CD2-CD1 4.4Å; L1538-Y1557 WeakPolarHBondContact O-CE1 3.47Å; A1541-Y1557 HydrophobicContact CB-CE1 4.21Å; A1541-Y1557 PolarHBondContact O-OH 3.21Å; A1542-Y1557 HydrophobicContact CB-CD1 4.13Å; A1542-Y1557 HydrophobicContact CB-CE1 3.91Å; L1552-Y1557 HydrophobicContact CD2-CD2 4.28Å; L1552-Y1557 HydrophobicContact CD2-CE2 3.9Å; Y1557-I1561 HydrophobicContact CD1-CG2 4.39Å; Y1557-L1562 HydrophobicContact CD2-CD2 4.15Å; Y1557-L1562 HydrophobicContact CG-CD2 4.27Å; Y1557-L1562 WeakPolarHBondContact O-CD1 3.33Å; Y1557-K1610 PolarHBondContact O-NZ 3.13Å
1558P90.2Very high86.5Confident7 Ų743.2 Ų43.25%0.04524%0.239CC..  trans-66.5150.1172.48.6-7.1000111.2E1506 V1508 L1535 L1538 Q1560 I1561 L1562E1506-P1558 VanDerWaalsContact OE1-CA 3.23Å; E1506-P1558 WeakPolarHBondContact OE1-CA 3.42Å; E1506-P1558 WeakPolarHBondContact OE1-CB 3.11Å; V1508-P1558 HydrophobicContact CB-CG 4.49Å; V1508-P1558 HydrophobicContact CG1-CG 4.05Å; V1508-P1558 HydrophobicContact CG2-CB 4Å; V1508-P1558 HydrophobicContact CG2-CG 4.13Å; L1535-P1558 HydrophobicContact CD2-CG 4.39Å; L1538-P1558 HydrophobicContact CD1-CG 3.99Å; P1558-Q1560 VanDerWaalsContact C-N 3.28Å; P1558-Q1560 PolarHBondContact O-N 3.17Å; P1558-I1561 HydrophobicContact CB-CG1 4.43Å; P1558-I1561 HydrophobicContact CG-CB 4Å; P1558-I1561 HydrophobicContact CG-CG1 3.96Å; P1558-I1561 PolarHBondContact O-N 2.99Å; P1558-L1562 PolarHBondContact O-N 3.2Å
1559C89.5Confident86.8Confident4.8 Ų4.838 Ų383%0.03222%0.215CC..Hα-helixtrans-55.6-42.2-176.4-171.30000113E1506 I1561 L1562 C1563 K1610 Q1673E1506-C1559 PolarHBondContact OE1-N 3.16Å; C1559-I1561 VanDerWaalsContact C-N 3.29Å; C1559-I1561 PolarHBondContact O-N 3.03Å; C1559-L1562 PolarHBondContact O-N 3.18Å; C1559-C1563 WeakPolarHBondContact O-CB 3.41Å; C1559-C1563 PolarHBondContact O-N 3.12Å; C1559-C1563 PolarHBondContact O-SG 3.11Å; C1559-K1610 HydrophobicContact CB-CG 3.83Å; C1559-Q1673 PolarHBondContact SG-NE2 3.1Å; C1559-Q1673 PolarHBondContact SG-OE1 3.11Å
1560Q91.8Very high87.5Confident7.6 Ų7.636 Ų364%0.03619%0.189CC..Hα-helixtrans-54.9-44.6177.5-178.7178.7-4.300111.6P1558 L1564 Y1666 E1669 T1671P1558-Q1560 VanDerWaalsContact C-N 3.28Å; P1558-Q1560 PolarHBondContact O-N 3.17Å; Q1560-L1564 VanDerWaalsContact O-CB 3.26Å; Q1560-L1564 WeakPolarHBondContact O-CB 3.32Å; Q1560-L1564 PolarHBondContact O-N 3.31Å; Q1560-L1564 VanDerWaalsContact O-N 3.12Å; Q1560-Y1666 WeakPolarHBondContact CG-OH 3.2Å; Q1560-Y1666 PolarHBondContact NE2-OH 3.04Å; Q1560-E1669 PolarHBondContact NE2-O 3.21Å; Q1560-E1669 PolarHBondContact OE1-O 3.04Å; Q1560-T1671 VanDerWaalsContact OE1-N 3.09Å; Q1560-T1671 PolarHBondContact OE1-OG1 2.88Å; Q1560-T1671 VanDerWaalsContact OE1-OG1 3.11Å
1561I92.1Very high88.2Confident0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-75-40.3-178.7-60.8-57.6000111.4L1535 L1538 L1539 A1542 Y1557 P1558 C1559 C1563 L1564 A1565L1535-I1561 HydrophobicContact CB-CD1 4.12Å; L1535-I1561 HydrophobicContact CD2-CD1 4.01Å; L1535-I1561 HydrophobicContact CD2-CG1 3.92Å; L1535-I1561 WeakPolarHBondContact O-CD1 3.38Å; L1538-I1561 HydrophobicContact CB-CG1 4.31Å; L1538-I1561 HydrophobicContact CB-CG2 4.32Å; L1539-I1561 HydrophobicContact CB-CD1 4.25Å; L1539-I1561 HydrophobicContact CB-CG2 4.24Å; L1539-I1561 HydrophobicContact CD1-CG2 4.27Å; A1542-I1561 HydrophobicContact CB-CG2 4.18Å; Y1557-I1561 HydrophobicContact CD1-CG2 4.39Å; P1558-I1561 HydrophobicContact CB-CG1 4.43Å; P1558-I1561 HydrophobicContact CG-CB 4Å; P1558-I1561 HydrophobicContact CG-CG1 3.96Å; P1558-I1561 PolarHBondContact O-N 2.99Å; C1559-I1561 VanDerWaalsContact C-N 3.29Å; C1559-I1561 PolarHBondContact O-N 3.03Å; I1561-C1563 PolarHBondContact O-N 3.4Å; I1561-L1564 PolarHBondContact O-N 2.96Å; I1561-A1565 VanDerWaalsContact O-CB 3.27Å; I1561-A1565 WeakPolarHBondContact O-CB 3.38Å; I1561-A1565 PolarHBondContact O-N 3.23Å
1562L90.7Very high88.9Confident3 Ų329.5 Ų29.52%0.01615%0.148CC..Hα-helixtrans-56.1-53.1175.4-73168.7000111.1L1552 P1554 Y1557 P1558 C1559 L1564 A1565 E1566 K1610 L1614L1552-L1562 HydrophobicContact CB-CD2 4.15Å; L1552-L1562 HydrophobicContact CD1-CD2 4.3Å; P1554-L1562 HydrophobicContact CB-CD1 4.11Å; Y1557-L1562 HydrophobicContact CD2-CD2 4.15Å; Y1557-L1562 HydrophobicContact CG-CD2 4.27Å; Y1557-L1562 WeakPolarHBondContact O-CD1 3.33Å; P1558-L1562 PolarHBondContact O-N 3.2Å; C1559-L1562 PolarHBondContact O-N 3.18Å; L1562-L1564 VanDerWaalsContact C-N 3.34Å; L1562-L1564 PolarHBondContact O-N 3.38Å; L1562-A1565 PolarHBondContact O-N 3.13Å; L1562-E1566 WeakPolarHBondContact O-CB 3.31Å; L1562-E1566 WeakPolarHBondContact O-CG 3.42Å; L1562-E1566 PolarHBondContact O-N 3.16Å; L1562-K1610 HydrophobicContact CD1-CD 4.16Å; L1562-L1614 HydrophobicContact CB-CD2 4.31Å
1563C90.6Very high89.5Confident0.2 Ų0.231.1 Ų31.10%0.00116%0.157CC..Hα-helixtrans-64.6-39.3179.8-670000112.3C1559 I1561 E1566 R1567 D1617 R1676C1559-C1563 WeakPolarHBondContact O-CB 3.41Å; C1559-C1563 PolarHBondContact O-N 3.12Å; C1559-C1563 PolarHBondContact O-SG 3.11Å; I1561-C1563 PolarHBondContact O-N 3.4Å; C1563-E1566 PolarHBondContact O-N 3.07Å; C1563-R1567 WeakPolarHBondContact O-CB 3.32Å; C1563-R1567 VanDerWaalsContact O-CG 3.29Å; C1563-R1567 WeakPolarHBondContact O-CG 3.4Å; C1563-R1567 PolarHBondContact O-N 2.95Å; C1563-R1567 VanDerWaalsContact O-N 3.07Å; C1563-R1567 PolarHBondContact O-NH1 3.24Å; C1563-D1617 VanDerWaalsContact CB-OD2 3.3Å; C1563-D1617 WeakPolarHBondContact CB-OD2 3.34Å; C1563-D1617 PolarHBondContact SG-OD2 3.13Å; C1563-D1617 VanDerWaalsContact SG-OD2 3.42Å; C1563-R1676 PolarHBondContact SG-NH2 3.18Å
1564L92.4Very high90Very high5 Ų527.6 Ų27.63%0.02614%0.138CC..Hα-helixtrans-64.9-44.8177.9-17860.2000111.5L1539 Q1560 I1561 L1562 E1566 R1567 I1568 F1647 V1655 Y1666L1539-L1564 HydrophobicContact CD1-CB 4.37Å; L1539-L1564 HydrophobicContact CD1-CD2 4.02Å; L1539-L1564 HydrophobicContact CD1-CG 4.02Å; L1539-L1564 HydrophobicContact CD2-CD2 3.76Å; L1539-L1564 HydrophobicContact CD2-CG 4.4Å; L1539-L1564 HydrophobicContact CG-CD2 4.48Å; Q1560-L1564 VanDerWaalsContact O-CB 3.26Å; Q1560-L1564 WeakPolarHBondContact O-CB 3.32Å; Q1560-L1564 PolarHBondContact O-N 3.31Å; Q1560-L1564 VanDerWaalsContact O-N 3.12Å; I1561-L1564 PolarHBondContact O-N 2.96Å; L1562-L1564 VanDerWaalsContact C-N 3.34Å; L1562-L1564 PolarHBondContact O-N 3.38Å; L1564-E1566 VanDerWaalsContact C-N 3.34Å; L1564-E1566 PolarHBondContact O-N 3.23Å; L1564-R1567 PolarHBondContact O-N 3.21Å; L1564-I1568 HydrophobicContact CD1-CD1 4.2Å; L1564-I1568 HydrophobicContact CD1-CG1 4.5Å; L1564-I1568 HydrophobicContact CG-CD1 4Å; L1564-I1568 WeakPolarHBondContact O-CD1 3.3Å; L1564-I1568 VanDerWaalsContact O-CG1 3.31Å; L1564-I1568 WeakPolarHBondContact O-CG1 3.27Å; L1564-I1568 PolarHBondContact O-N 3.1Å; L1564-F1647 HydrophobicContact CD1-CD1 3.69Å; L1564-F1647 HydrophobicContact CD1-CE1 4.16Å; L1564-V1655 HydrophobicContact CD1-CG1 4.32Å; L1564-Y1666 HydrophobicContact CD1-CD2 4.25Å; L1564-Y1666 HydrophobicContact CD1-CE2 4.24Å; L1564-Y1666 HydrophobicContact CD2-CD1 4.17Å; L1564-Y1666 HydrophobicContact CD2-CD2 4.36Å; L1564-Y1666 HydrophobicContact CD2-CE1 3.77Å; L1564-Y1666 HydrophobicContact CD2-CE2 4.26Å; L1564-Y1666 HydrophobicContact CD2-CG 4.47Å
1565A92.3Very high90.6Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-62.9-43.1177.700000111.6L1539 A1542 L1543 I1546 L1552 I1561 L1562 R1567 I1568 R1569L1539-A1565 HydrophobicContact CD1-CB 4.07Å; A1542-A1565 HydrophobicContact CB-CB 4.02Å; L1543-A1565 HydrophobicContact CD2-CB 4.25Å; I1546-A1565 HydrophobicContact CD1-CB 3.81Å; L1552-A1565 HydrophobicContact CD1-CB 4.22Å; I1561-A1565 VanDerWaalsContact O-CB 3.27Å; I1561-A1565 WeakPolarHBondContact O-CB 3.38Å; I1561-A1565 PolarHBondContact O-N 3.23Å; L1562-A1565 PolarHBondContact O-N 3.13Å; A1565-R1567 PolarHBondContact O-N 2.99Å; A1565-I1568 PolarHBondContact O-N 3.24Å; A1565-R1569 VanDerWaalsContact O-CB 3.31Å; A1565-R1569 WeakPolarHBondContact O-CB 3.39Å; A1565-R1569 PolarHBondContact O-N 3.24Å
1566E90Very high91.1Very high29.2 Ų29.231 Ų3114%0.13614%0.141CC..Hα-helixtrans-64-38.3175.5-77.5-62138.500112.8L1562 C1563 L1564 R1569 F1570 Q1593 L1614L1562-E1566 WeakPolarHBondContact O-CB 3.31Å; L1562-E1566 WeakPolarHBondContact O-CG 3.42Å; L1562-E1566 PolarHBondContact O-N 3.16Å; C1563-E1566 PolarHBondContact O-N 3.07Å; L1564-E1566 VanDerWaalsContact C-N 3.34Å; L1564-E1566 PolarHBondContact O-N 3.23Å; E1566-R1569 WeakPolarHBondContact O-CB 3.37Å; E1566-R1569 PolarHBondContact O-N 3.22Å; E1566-R1569 IonicContact OE1-NE 3.13Å; E1566-R1569 PolarHBondContact OE1-NE 3.02Å; E1566-R1569 IonicContact OE2-CZ 3.61Å; E1566-R1569 IonicContact OE2-NE 3.22Å; E1566-R1569 PolarHBondContact OE2-NE 3.13Å; E1566-R1569 IonicContact OE2-NH2 3.24Å; E1566-R1569 PolarHBondContact OE2-NH2 3.11Å; E1566-F1570 VanDerWaalsContact O-CB 3.32Å; E1566-F1570 WeakPolarHBondContact O-CB 3.34Å; E1566-F1570 PolarHBondContact O-N 3.13Å; E1566-Q1593 PolarHBondContact OE2-NE2 2.91Å; E1566-L1614 HydrophobicContact CG-CD2 4.12Å
1567R91.9Very high91.3Very high31.2 Ų31.224.1 Ų24.112%0.11811%0.112CC..Hα-helixtrans-66.7-42.7175-76.8-177.4175.6127-0.1113.1C1563 L1564 A1565 R1569 F1570 C1571 D1617 F1647 R1676C1563-R1567 WeakPolarHBondContact O-CB 3.32Å; C1563-R1567 VanDerWaalsContact O-CG 3.29Å; C1563-R1567 WeakPolarHBondContact O-CG 3.4Å; C1563-R1567 PolarHBondContact O-N 2.95Å; C1563-R1567 VanDerWaalsContact O-N 3.07Å; C1563-R1567 PolarHBondContact O-NH1 3.24Å; L1564-R1567 PolarHBondContact O-N 3.21Å; A1565-R1567 PolarHBondContact O-N 2.99Å; R1567-R1569 VanDerWaalsContact C-N 3.32Å; R1567-R1569 PolarHBondContact O-N 2.78Å; R1567-F1570 PolarHBondContact O-N 3.19Å; R1567-C1571 PolarHBondContact O-N 3.11Å; R1567-C1571 PolarHBondContact O-SG 2.94Å; R1567-C1571 VanDerWaalsContact O-SG 3.37Å; R1567-D1617 IonicContact CZ-OD1 3.48Å; R1567-D1617 IonicContact CZ-OD2 3.11Å; R1567-D1617 IonicContact NE-OD1 2.89Å; R1567-D1617 IonicContact NE-OD2 3.28Å; R1567-D1617 PolarHBondContact NE-OD2 3.18Å; R1567-D1617 IonicContact NH1-OD1 3.07Å; R1567-D1617 IonicContact NH1-OD2 3.05Å; R1567-D1617 PolarHBondContact NH1-OD2 3.34Å; R1567-D1617 VanDerWaalsContact NH2-CG 3.33Å; R1567-D1617 IonicContact NH2-OD1 3.09Å; R1567-D1617 PolarHBondContact NH2-OD1 3.29Å; R1567-D1617 IonicContact NH2-OD2 3.31Å; R1567-D1617 PolarHBondContact NH2-OD2 3.29Å; R1567-F1647 HydrophobicContact CB-CB 4.48Å; R1567-F1647 HydrophobicContact CB-CD2 3.94Å; R1567-F1647 HydrophobicContact CB-CE2 4.37Å; R1567-F1647 HydrophobicContact CB-CG 4.21Å; R1567-F1647 HydrophobicContact CG-CD2 4.44Å; R1567-F1647 HydrophobicContact CG-CE2 4.46Å; R1567-R1676 VanDerWaalsContact NH2-NH1 3.11Å
1568I93.5Very high91.3Very high2.8 Ų2.823 Ų231%0.01411%0.108CC..Hα-helixtrans-62.2-44.4174.8-68.1161.7000109.6L1539 L1543 L1564 A1565 F1570 C1571 N1572 F1647 V1649 V1655L1539-I1568 HydrophobicContact CD1-CD1 4.23Å; L1539-I1568 HydrophobicContact CD2-CD1 4.34Å; L1543-I1568 HydrophobicContact CD1-CD1 4.29Å; L1543-I1568 HydrophobicContact CD2-CB 4.13Å; L1543-I1568 HydrophobicContact CD2-CD1 4.36Å; L1543-I1568 HydrophobicContact CD2-CG2 3.86Å; L1564-I1568 HydrophobicContact CD1-CD1 4.2Å; L1564-I1568 HydrophobicContact CD1-CG1 4.5Å; L1564-I1568 HydrophobicContact CG-CD1 4Å; L1564-I1568 WeakPolarHBondContact O-CD1 3.3Å; L1564-I1568 VanDerWaalsContact O-CG1 3.31Å; L1564-I1568 WeakPolarHBondContact O-CG1 3.27Å; L1564-I1568 PolarHBondContact O-N 3.1Å; A1565-I1568 PolarHBondContact O-N 3.24Å; I1568-F1570 VanDerWaalsContact C-N 3.34Å; I1568-F1570 PolarHBondContact O-N 3.04Å; I1568-C1571 PolarHBondContact O-N 3.31Å; I1568-N1572 WeakPolarHBondContact O-CB 3.29Å; I1568-N1572 PolarHBondContact O-N 3.26Å; I1568-N1572 VanDerWaalsContact O-N 3.07Å; I1568-N1572 PolarHBondContact O-ND2 3.3Å; I1568-F1647 HydrophobicContact CG1-CB 3.76Å; I1568-V1649 HydrophobicContact CD1-CG2 3.77Å; I1568-V1649 HydrophobicContact CG1-CG2 4.4Å; I1568-V1649 HydrophobicContact CG2-CG2 3.91Å; I1568-V1655 HydrophobicContact CD1-CG1 4.43Å; I1568-V1655 HydrophobicContact CD1-CG2 4.21Å
1569R92.1Very high91.2Very high50.8 Ų50.829.5 Ų29.519%0.19214%0.138CC..Hα-helixtrans-58.2-47.3174.7-174.1-174.173.788.51111.1I1546 A1565 E1566 R1567 N1572 L1573 Q1593I1546-R1569 HydrophobicContact CD1-CB 4.34Å; I1546-R1569 HydrophobicContact CG2-CB 4.3Å; I1546-R1569 VanDerWaalsContact CG2-CD 3.46Å; I1546-R1569 HydrophobicContact CG2-CG 3.78Å; A1565-R1569 VanDerWaalsContact O-CB 3.31Å; A1565-R1569 WeakPolarHBondContact O-CB 3.39Å; A1565-R1569 PolarHBondContact O-N 3.24Å; E1566-R1569 WeakPolarHBondContact O-CB 3.37Å; E1566-R1569 PolarHBondContact O-N 3.22Å; E1566-R1569 IonicContact OE1-NE 3.13Å; E1566-R1569 PolarHBondContact OE1-NE 3.02Å; E1566-R1569 IonicContact OE2-CZ 3.61Å; E1566-R1569 IonicContact OE2-NE 3.22Å; E1566-R1569 PolarHBondContact OE2-NE 3.13Å; E1566-R1569 IonicContact OE2-NH2 3.24Å; E1566-R1569 PolarHBondContact OE2-NH2 3.11Å; R1567-R1569 VanDerWaalsContact C-N 3.32Å; R1567-R1569 PolarHBondContact O-N 2.78Å; R1569-N1572 PolarHBondContact O-N 3.27Å; R1569-L1573 HydrophobicContact CG-CD1 3.94Å; R1569-L1573 HydrophobicContact CG-CG 4.42Å; R1569-L1573 VanDerWaalsContact NH1-CD1 3.34Å; R1569-L1573 WeakPolarHBondContact O-CB 3.35Å; R1569-L1573 VanDerWaalsContact O-CG 3.29Å; R1569-L1573 WeakPolarHBondContact O-CG 3.33Å; R1569-L1573 PolarHBondContact O-N 3.28Å; R1569-Q1593 VanDerWaalsContact NH2-NE2 3.16Å; R1569-Q1593 VanDerWaalsContact NH2-OE1 3.13Å
1570F92.8Very high91.1Very high24.6 Ų24.632.5 Ų32.511%0.10816%0.159CC..Hα-helixtrans-60.4-48178.1172.6-108.9000112E1566 R1567 I1568 N1572 L1573 C1574 L1590 A1621 V1624 L1625 W1641E1566-F1570 VanDerWaalsContact O-CB 3.32Å; E1566-F1570 WeakPolarHBondContact O-CB 3.34Å; E1566-F1570 PolarHBondContact O-N 3.13Å; R1567-F1570 PolarHBondContact O-N 3.19Å; I1568-F1570 VanDerWaalsContact C-N 3.34Å; I1568-F1570 PolarHBondContact O-N 3.04Å; F1570-N1572 VanDerWaalsContact C-N 3.34Å; F1570-N1572 PolarHBondContact O-N 3.02Å; F1570-L1573 PolarHBondContact O-N 3.06Å; F1570-C1574 HydrophobicContact CE2-CB 4.29Å; F1570-C1574 HydrophobicContact CZ-CB 4.34Å; F1570-C1574 VanDerWaalsContact O-CB 3.23Å; F1570-C1574 WeakPolarHBondContact O-CB 3.37Å; F1570-C1574 PolarHBondContact O-N 3.14Å; F1570-L1590 HydrophobicContact CD2-CD1 4.02Å; F1570-L1590 HydrophobicContact CE2-CD1 3.88Å; F1570-A1621 HydrophobicContact CD1-CB 4.27Å; F1570-A1621 HydrophobicContact CD2-CB 3.8Å; F1570-A1621 HydrophobicContact CE1-CB 4.12Å; F1570-A1621 HydrophobicContact CE2-CB 3.64Å; F1570-A1621 HydrophobicContact CG-CB 4.11Å; F1570-A1621 HydrophobicContact CZ-CB 3.8Å; F1570-A1621 WeakPolarHBondContact CZ-O 3.14Å; F1570-V1624 HydrophobicContact CE1-CG1 4.47Å; F1570-V1624 HydrophobicContact CZ-CB 4.36Å; F1570-V1624 HydrophobicContact CZ-CG1 4.28Å; F1570-L1625 HydrophobicContact CE2-CD1 4.2Å; F1570-L1625 HydrophobicContact CE2-CD2 4.3Å; F1570-L1625 HydrophobicContact CE2-CG 4.08Å; F1570-L1625 HydrophobicContact CZ-CD2 4.4Å; F1570-L1625 HydrophobicContact CZ-CG 4.31Å; F1570-W1641 HydrophobicContact CE1-CH2 4.17Å; F1570-W1641 HydrophobicContact CE1-CZ3 4.11Å; F1570-W1641 HydrophobicContact CZ-CZ3 4.42Å
1571C93.4Very high90.7Very high3 Ų339.8 Ų39.82%0.0219%0.19CC..Hα-helixtrans-57.4-47.6178-66.40000111.4R1567 I1568 L1573 C1574 E1575 W1641 F1647R1567-C1571 PolarHBondContact O-N 3.11Å; R1567-C1571 PolarHBondContact O-SG 2.94Å; R1567-C1571 VanDerWaalsContact O-SG 3.37Å; I1568-C1571 PolarHBondContact O-N 3.31Å; C1571-L1573 PolarHBondContact O-N 3.06Å; C1571-C1574 PolarHBondContact O-N 3.18Å; C1571-E1575 WeakPolarHBondContact O-CG 3.36Å; C1571-E1575 PolarHBondContact O-N 3.18Å; C1571-W1641 HydrophobicContact CB-CH2 4.44Å; C1571-W1641 HydrophobicContact CB-CZ2 4.33Å; C1571-F1647 PolarHBondContact SG-N 3.14Å; C1571-F1647 VanDerWaalsContact SG-N 3.41Å
1572N91.3Very high90.5Very high70 Ų7042.5 Ų42.537%0.37421%0.207SC..Hα-helixtrans-63.7-39.9178.5-72.2-21.8000112.8I1568 R1569 F1570 K1576I1568-N1572 WeakPolarHBondContact O-CB 3.29Å; I1568-N1572 PolarHBondContact O-N 3.26Å; I1568-N1572 VanDerWaalsContact O-N 3.07Å; I1568-N1572 PolarHBondContact O-ND2 3.3Å; R1569-N1572 PolarHBondContact O-N 3.27Å; F1570-N1572 VanDerWaalsContact C-N 3.34Å; F1570-N1572 PolarHBondContact O-N 3.02Å; N1572-K1576 WeakPolarHBondContact O-CB 3.4Å; N1572-K1576 VanDerWaalsContact O-CG 3.27Å; N1572-K1576 WeakPolarHBondContact O-CG 3.34Å; N1572-K1576 PolarHBondContact O-N 3.17Å
1573L91.2Very high90.4Very high61.2 Ų61.243.2 Ų43.232%0.3221%0.21SC..Hα-helixtrans-72.1-39178-72.1177000112.1R1569 F1570 C1571 K1576 A1577 L1586R1569-L1573 HydrophobicContact CG-CD1 3.94Å; R1569-L1573 HydrophobicContact CG-CG 4.42Å; R1569-L1573 VanDerWaalsContact NH1-CD1 3.34Å; R1569-L1573 WeakPolarHBondContact O-CB 3.35Å; R1569-L1573 VanDerWaalsContact O-CG 3.29Å; R1569-L1573 WeakPolarHBondContact O-CG 3.33Å; R1569-L1573 PolarHBondContact O-N 3.28Å; F1570-L1573 PolarHBondContact O-N 3.06Å; C1571-L1573 PolarHBondContact O-N 3.06Å; L1573-K1576 PolarHBondContact O-N 3.1Å; L1573-A1577 VanDerWaalsContact O-CB 3.24Å; L1573-A1577 WeakPolarHBondContact O-CB 3.4Å; L1573-A1577 PolarHBondContact O-N 3.02Å; L1573-L1586 HydrophobicContact CB-CD1 4.04Å; L1573-L1586 HydrophobicContact CB-CD2 4.18Å; L1573-L1586 HydrophobicContact CD1-CD1 4.16Å
1574C92.1Very high90.4Very high0 Ų051.8 Ų51.80%024%0.243CC..Hα-helixtrans-65.6-45.2178.6-169.50000110.9F1570 C1571 K1576 A1577 L1578 L1586 W1641F1570-C1574 HydrophobicContact CE2-CB 4.29Å; F1570-C1574 HydrophobicContact CZ-CB 4.34Å; F1570-C1574 VanDerWaalsContact O-CB 3.23Å; F1570-C1574 WeakPolarHBondContact O-CB 3.37Å; F1570-C1574 PolarHBondContact O-N 3.14Å; C1571-C1574 PolarHBondContact O-N 3.18Å; C1574-K1576 PolarHBondContact O-N 3.04Å; C1574-A1577 CarbonylContact O-C 3.54Å; C1574-A1577 PolarHBondContact O-N 3.02Å; C1574-A1577 VanDerWaalsContact O-N 3.12Å; C1574-L1578 WeakPolarHBondContact O-CB 3.3Å; C1574-L1578 VanDerWaalsContact O-CG 3.31Å; C1574-L1578 WeakPolarHBondContact O-CG 3.42Å; C1574-L1578 PolarHBondContact O-N 3.21Å; C1574-L1586 HydrophobicContact CB-CD2 4.33Å; C1574-W1641 HydrophobicContact CB-CH2 3.68Å; C1574-W1641 HydrophobicContact CB-CZ2 4.22Å; C1574-W1641 HydrophobicContact CB-CZ3 4.04Å; C1574-W1641 VanDerWaalsContact SG-CZ3 3.55Å; C1574-W1641 WeakPolarHBondContact SG-CZ3 3.34Å
1575E91.5Very high90.3Very high38.4 Ų38.455 Ų5518%0.17926%0.26CS..Hα-helixtrans-64.6-39.4176.9-71-175.9173.200112.5C1571 A1577 L1578 Q1579 T1636 W1641 Y1648C1571-E1575 WeakPolarHBondContact O-CG 3.36Å; C1571-E1575 PolarHBondContact O-N 3.18Å; E1575-A1577 VanDerWaalsContact C-N 3.33Å; E1575-A1577 PolarHBondContact O-N 3.33Å; E1575-L1578 PolarHBondContact O-N 3.12Å; E1575-Q1579 VanDerWaalsContact O-CG 3.3Å; E1575-Q1579 WeakPolarHBondContact O-CG 3.4Å; E1575-Q1579 PolarHBondContact O-N 3.1Å; E1575-Q1579 VanDerWaalsContact O-N 3.08Å; E1575-T1636 HydrophobicContact CB-CG2 4.14Å; E1575-T1636 HydrophobicContact CG-CG2 4.04Å; E1575-W1641 HydrophobicContact CG-CZ2 3.9Å; E1575-W1641 PolarHBondContact OE1-NE1 3.22Å; E1575-W1641 VanDerWaalsContact OE1-NE1 3.1Å; E1575-Y1648 WeakPolarHBondContact OE1-CE1 3.37Å; E1575-Y1648 PolarHBondContact OE1-OH 3.33Å
1576K90.4Very high90.2Very high136.4 Ų136.455.8 Ų55.859%0.59326%0.264SS*.Hα-helixtrans-63.5-40.4171.2-73.9176.4-178-177.10111.9N1572 L1573 C1574 Q1579 S1580N1572-K1576 WeakPolarHBondContact O-CB 3.4Å; N1572-K1576 VanDerWaalsContact O-CG 3.27Å; N1572-K1576 WeakPolarHBondContact O-CG 3.34Å; N1572-K1576 PolarHBondContact O-N 3.17Å; L1573-K1576 PolarHBondContact O-N 3.1Å; C1574-K1576 PolarHBondContact O-N 3.04Å; K1576-Q1579 PolarHBondContact O-N 3.24Å; K1576-S1580 WeakPolarHBondContact O-CB 3.34Å; K1576-S1580 PolarHBondContact O-N 3.29Å; K1576-S1580 PolarHBondContact O-OG 3.28Å
1577A89.4Confident90.2Very high4.4 Ų4.455.9 Ų55.94%0.03627%0.265CS..Hα-helixtrans-71-33.1179.600000112.7L1573 C1574 E1575 S1580 K1581 T1582 L1583 L1586L1573-A1577 VanDerWaalsContact O-CB 3.24Å; L1573-A1577 WeakPolarHBondContact O-CB 3.4Å; L1573-A1577 PolarHBondContact O-N 3.02Å; C1574-A1577 CarbonylContact O-C 3.54Å; C1574-A1577 PolarHBondContact O-N 3.02Å; C1574-A1577 VanDerWaalsContact O-N 3.12Å; E1575-A1577 VanDerWaalsContact C-N 3.33Å; E1575-A1577 PolarHBondContact O-N 3.33Å; A1577-S1580 WeakPolarHBondContact CA-OG 3.47Å; A1577-S1580 PolarHBondContact O-N 3.45Å; A1577-K1581 CarbonylContact O-C 3.54Å; A1577-K1581 VanDerWaalsContact O-CA 3.28Å; A1577-K1581 WeakPolarHBondContact O-CA 3.38Å; A1577-K1581 PolarHBondContact O-N 3.21Å; A1577-T1582 PolarHBondContact O-N 3.14Å; A1577-L1583 HydrophobicContact CB-CD2 3.85Å; A1577-L1583 HydrophobicContact CB-CG 4.45Å; A1577-L1586 HydrophobicContact CB-CB 4.35Å; A1577-L1586 HydrophobicContact CB-CD2 4.1Å
1578L88Confident90.2Very high2.6 Ų2.661.6 Ų61.61%0.01429%0.286CS..Hα-helixtrans-62.5-49.1169.8-76.7167.1000110.2C1574 E1575 S1580 K1581 L1583 L1628 S1633 T1636 W1641C1574-L1578 WeakPolarHBondContact O-CB 3.3Å; C1574-L1578 VanDerWaalsContact O-CG 3.31Å; C1574-L1578 WeakPolarHBondContact O-CG 3.42Å; C1574-L1578 PolarHBondContact O-N 3.21Å; E1575-L1578 PolarHBondContact O-N 3.12Å; L1578-S1580 VanDerWaalsContact C-N 3.35Å; L1578-S1580 PolarHBondContact O-N 3.01Å; L1578-K1581 PolarHBondContact O-N 3.13Å; L1578-L1583 HydrophobicContact CD2-CD1 3.91Å; L1578-L1583 HydrophobicContact CD2-CD2 4.12Å; L1578-L1583 HydrophobicContact CD2-CG 4.45Å; L1578-L1583 HydrophobicContact CG-CD2 4.09Å; L1578-L1628 HydrophobicContact CD2-CD1 4.47Å; L1578-L1628 HydrophobicContact CD2-CD2 4.43Å; L1578-S1633 VanDerWaalsContact CD2-O 3.29Å; L1578-S1633 WeakPolarHBondContact CD2-O 3.43Å; L1578-T1636 HydrophobicContact CD1-CG2 4.41Å; L1578-W1641 HydrophobicContact CD1-CB 4.48Å; L1578-W1641 HydrophobicContact CD1-CD2 4.34Å; L1578-W1641 HydrophobicContact CD1-CG 4.14Å
1579Q87.5Confident90.1Very high143.6 Ų143.668.3 Ų68.367%0.67132%0.315SS*.Hα-helixtrans-64.4-37.9178.7-70.8172.1-100113.2E1575 K1576E1575-Q1579 VanDerWaalsContact O-CG 3.3Å; E1575-Q1579 WeakPolarHBondContact O-CG 3.4Å; E1575-Q1579 PolarHBondContact O-N 3.1Å; E1575-Q1579 VanDerWaalsContact O-N 3.08Å; K1576-Q1579 PolarHBondContact O-N 3.24Å
1580S87.4Confident90Very high68.4 Ų68.466.2 Ų66.248%0.47831%0.308SS..Hα-helixtrans-93.20.5-178.761.50000114.5K1576 A1577 L1578 T1582K1576-S1580 WeakPolarHBondContact O-CB 3.34Å; K1576-S1580 PolarHBondContact O-N 3.29Å; K1576-S1580 PolarHBondContact O-OG 3.28Å; A1577-S1580 WeakPolarHBondContact CA-OG 3.47Å; A1577-S1580 PolarHBondContact O-N 3.45Å; L1578-S1580 VanDerWaalsContact C-N 3.35Å; L1578-S1580 PolarHBondContact O-N 3.01Å; S1580-T1582 VanDerWaalsContact C-N 3.27Å; S1580-T1582 PolarHBondContact O-N 3.11Å; S1580-T1582 PolarHBondContact OG-OG1 3.14Å
1581K83.6Confident89.8Confident160.4 Ų160.469.4 Ų69.470%0.69732%0.322SS*.THydrogen-bonded Turntrans54.433.9-174.5-57.3-170.5176.1-160.90114.6A1577 L1578 D1634A1577-K1581 CarbonylContact O-C 3.54Å; A1577-K1581 VanDerWaalsContact O-CA 3.28Å; A1577-K1581 WeakPolarHBondContact O-CA 3.38Å; A1577-K1581 PolarHBondContact O-N 3.21Å; L1578-K1581 PolarHBondContact O-N 3.13Å; K1581-D1634 VanDerWaalsContact CE-OD1 3.3Å; K1581-D1634 WeakPolarHBondContact CE-OD1 3.38Å; K1581-D1634 IonicContact NZ-OD1 2.79Å; K1581-D1634 PolarHBondContact NZ-OD1 2.92Å; K1581-D1634 IonicContact NZ-OD2 3.54Å; K1581-D1634 PolarHBondContact NZ-OD2 3.09Å
1582T89.1Confident89.6Confident57 Ų5774.1 Ų74.135%0.3535%0.345SS..  trans-106.424.4-178.355.10000113.8A1577 S1580 R1584 D1585 L1586A1577-T1582 PolarHBondContact O-N 3.14Å; S1580-T1582 VanDerWaalsContact C-N 3.27Å; S1580-T1582 PolarHBondContact O-N 3.11Å; S1580-T1582 PolarHBondContact OG-OG1 3.14Å; T1582-R1584 VanDerWaalsContact C-N 3.28Å; T1582-R1584 PolarHBondContact O-N 3.15Å; T1582-D1585 PolarHBondContact O-N 3.12Å; T1582-D1585 VanDerWaalsContact O-N 3.08Å; T1582-L1586 PolarHBondContact O-N 3.23Å
1583L87.8Confident89.4Confident17 Ų1772.6 Ų72.69%0.08934%0.336CS..Hα-helixtrans-53.9-39.9-177.4-68.1175.4000113.6A1577 L1578 D1585 L1586 H1587 L1625 L1628 I1629A1577-L1583 HydrophobicContact CB-CD2 3.85Å; A1577-L1583 HydrophobicContact CB-CG 4.45Å; L1578-L1583 HydrophobicContact CD2-CD1 3.91Å; L1578-L1583 HydrophobicContact CD2-CD2 4.12Å; L1578-L1583 HydrophobicContact CD2-CG 4.45Å; L1578-L1583 HydrophobicContact CG-CD2 4.09Å; L1583-D1585 VanDerWaalsContact C-N 3.29Å; L1583-D1585 PolarHBondContact O-N 3.24Å; L1583-L1586 PolarHBondContact O-N 3.09Å; L1583-H1587 WeakPolarHBondContact O-CB 3.28Å; L1583-H1587 PolarHBondContact O-N 3.14Å; L1583-L1625 HydrophobicContact CD2-CD2 3.95Å; L1583-L1628 HydrophobicContact CD1-CB 4.27Å; L1583-I1629 HydrophobicContact CB-CD1 4.26Å; L1583-I1629 HydrophobicContact CB-CG1 3.89Å; L1583-I1629 HydrophobicContact CD1-CG1 4.28Å
1584R90Very high89.2Confident182.8 Ų182.870.4 Ų70.469%0.6933%0.325SS*.Hα-helixtrans-62.6-34.1179.8-66.8-177.2-177.3161.92.2112.8T1582 R1588 I1629T1582-R1584 VanDerWaalsContact C-N 3.28Å; T1582-R1584 PolarHBondContact O-N 3.15Å; R1584-R1588 PolarHBondContact O-N 3.05Å; R1584-I1629 HydrophobicContact CG-CD1 4.33Å
1585D90.4Very high88.9Confident72 Ų7275.5 Ų75.539%0.38535%0.352SS..Hα-helixtrans-73.8-39177.7-69.2-33.4000111.6T1582 L1583 H1587 R1588 K1589T1582-D1585 PolarHBondContact O-N 3.12Å; T1582-D1585 VanDerWaalsContact O-N 3.08Å; L1583-D1585 VanDerWaalsContact C-N 3.29Å; L1583-D1585 PolarHBondContact O-N 3.24Å; D1585-H1587 VanDerWaalsContact C-N 3.34Å; D1585-R1588 PolarHBondContact O-N 3.32Å; D1585-R1588 IonicContact OD1-CZ 3.69Å; D1585-R1588 IonicContact OD1-NH1 3.15Å; D1585-R1588 PolarHBondContact OD1-NH1 3.13Å; D1585-R1588 IonicContact OD1-NH2 2.76Å; D1585-K1589 WeakPolarHBondContact O-CG 3.37Å; D1585-K1589 PolarHBondContact O-N 3.06Å
1586L90Very high88.6Confident16 Ų1677 Ų778%0.08436%0.364CS..Hα-helixtrans-62.8-44173.1-17861.1000110.9L1573 C1574 A1577 T1582 L1583 R1588 K1589 L1590 L1625L1573-L1586 HydrophobicContact CB-CD1 4.04Å; L1573-L1586 HydrophobicContact CB-CD2 4.18Å; L1573-L1586 HydrophobicContact CD1-CD1 4.16Å; C1574-L1586 HydrophobicContact CB-CD2 4.33Å; A1577-L1586 HydrophobicContact CB-CB 4.35Å; A1577-L1586 HydrophobicContact CB-CD2 4.1Å; T1582-L1586 PolarHBondContact O-N 3.23Å; L1583-L1586 PolarHBondContact O-N 3.09Å; L1586-R1588 VanDerWaalsContact C-N 3.34Å; L1586-R1588 PolarHBondContact O-N 3.25Å; L1586-K1589 WeakPolarHBondContact O-CB 3.41Å; L1586-K1589 PolarHBondContact O-N 2.97Å; L1586-K1589 VanDerWaalsContact O-N 3.16Å; L1586-L1590 HydrophobicContact CG-CD1 4.42Å; L1586-L1590 PolarHBondContact O-N 3.2Å; L1586-L1625 HydrophobicContact CB-CD1 4.36Å; L1586-L1625 HydrophobicContact CD2-CD1 4.11Å; L1586-L1625 HydrophobicContact CD2-CD2 4.08Å; L1586-L1625 HydrophobicContact CG-CD1 3.91Å
1587H91.6Very high88.3Confident30.6 Ų30.672.4 Ų72.414%0.14234%0.343CS..Hα-helixtrans-58.7-44.5175.5167.3-86.8000111.8L1583 D1585 K1589 L1590 K1591 L1625 D1626 I1629L1583-H1587 WeakPolarHBondContact O-CB 3.28Å; L1583-H1587 PolarHBondContact O-N 3.14Å; D1585-H1587 VanDerWaalsContact C-N 3.34Å; H1587-K1589 PolarHBondContact O-N 3.2Å; H1587-L1590 PolarHBondContact O-N 3.02Å; H1587-K1591 VanDerWaalsContact CE1-CE 3.47Å; H1587-K1591 WeakPolarHBondContact CE1-CE 3.28Å; H1587-K1591 PolarHBondContact CE1-NZ 3.22Å; H1587-K1591 WeakPolarHBondContact NE2-CE 3.4Å; H1587-K1591 PolarHBondContact NE2-NZ 3.13Å; H1587-K1591 PolarHBondContact O-N 2.97Å; H1587-K1591 VanDerWaalsContact O-N 3.08Å; H1587-L1625 HydrophobicContact CB-CB 4.41Å; H1587-L1625 HydrophobicContact CB-CD1 3.98Å; H1587-D1626 IonicContact CD2-OD1 3.16Å; H1587-D1626 PolarHBondContact CD2-OD1 3.29Å; H1587-D1626 VanDerWaalsContact CD2-OD1 3.27Å; H1587-D1626 IonicContact NE2-OD1 3.54Å; H1587-D1626 PolarHBondContact NE2-OD1 3.17Å; H1587-D1626 VanDerWaalsContact NE2-OD1 3.11Å; H1587-I1629 HydrophobicContact CB-CD1 4.13Å
1588R91.9Very high87.8Confident152.2 Ų152.273.9 Ų73.957%0.57436%0.355SS*.Hα-helixtrans-61.4-43.4174.5-167.5-172.6-62.1130.23.6111.9R1584 D1585 L1586 L1590 K1591 I1592R1584-R1588 PolarHBondContact O-N 3.05Å; D1585-R1588 PolarHBondContact O-N 3.32Å; D1585-R1588 IonicContact OD1-CZ 3.69Å; D1585-R1588 IonicContact OD1-NH1 3.15Å; D1585-R1588 PolarHBondContact OD1-NH1 3.13Å; D1585-R1588 IonicContact OD1-NH2 2.76Å; L1586-R1588 VanDerWaalsContact C-N 3.34Å; L1586-R1588 PolarHBondContact O-N 3.25Å; R1588-L1590 PolarHBondContact O-N 2.61Å; R1588-K1591 PolarHBondContact O-N 3.15Å; R1588-I1592 HydrophobicContact CG-CD1 4.36Å; R1588-I1592 WeakPolarHBondContact O-CG1 3.41Å; R1588-I1592 PolarHBondContact O-N 3.21Å; R1588-I1592 VanDerWaalsContact O-N 3.14Å
1589K90.7Very high87.3Confident143.8 Ų143.878 Ų7863%0.62538%0.384SS*.Hα-helixtrans-61.7-43.1178.1-74.1174.2-178.21770112.1D1585 L1586 H1587 I1592 Q1593D1585-K1589 WeakPolarHBondContact O-CG 3.37Å; D1585-K1589 PolarHBondContact O-N 3.06Å; L1586-K1589 WeakPolarHBondContact O-CB 3.41Å; L1586-K1589 PolarHBondContact O-N 2.97Å; L1586-K1589 VanDerWaalsContact O-N 3.16Å; H1587-K1589 PolarHBondContact O-N 3.2Å; K1589-I1592 PolarHBondContact O-N 3.01Å; K1589-Q1593 WeakPolarHBondContact O-CG 3.4Å; K1589-Q1593 PolarHBondContact O-N 3.14Å
1590L89.6Confident87Confident5.6 Ų5.674.7 Ų74.73%0.02937%0.37CS..Hα-helixtrans-66.7-39.2177.9-71.8177.5000112.3F1570 L1586 H1587 R1588 I1592 Q1593 I1594 A1621 V1622 L1625F1570-L1590 HydrophobicContact CD2-CD1 4.02Å; F1570-L1590 HydrophobicContact CE2-CD1 3.88Å; L1586-L1590 HydrophobicContact CG-CD1 4.42Å; L1586-L1590 PolarHBondContact O-N 3.2Å; H1587-L1590 PolarHBondContact O-N 3.02Å; R1588-L1590 PolarHBondContact O-N 2.61Å; L1590-I1592 VanDerWaalsContact C-N 3.32Å; L1590-I1592 PolarHBondContact O-N 3.14Å; L1590-Q1593 WeakPolarHBondContact O-CB 3.41Å; L1590-Q1593 PolarHBondContact O-N 3.02Å; L1590-Q1593 VanDerWaalsContact O-N 3.13Å; L1590-I1594 WeakPolarHBondContact O-CG1 3.42Å; L1590-I1594 PolarHBondContact O-N 2.94Å; L1590-A1621 HydrophobicContact CD1-CB 4Å; L1590-V1622 HydrophobicContact CB-CG2 3.7Å; L1590-V1622 HydrophobicContact CD1-CG2 4.4Å; L1590-L1625 HydrophobicContact CD1-CD1 3.58Å
1591K89.2Confident86.1Confident92.8 Ų92.877.8 Ų77.840%0.40338%0.377SS..Hα-helixtrans-60.6-40.4173.7-77.7-173.7168167.80112.6H1587 R1588 Q1593 I1594 N1595 V1622H1587-K1591 VanDerWaalsContact CE1-CE 3.47Å; H1587-K1591 WeakPolarHBondContact CE1-CE 3.28Å; H1587-K1591 PolarHBondContact CE1-NZ 3.22Å; H1587-K1591 WeakPolarHBondContact NE2-CE 3.4Å; H1587-K1591 PolarHBondContact NE2-NZ 3.13Å; H1587-K1591 PolarHBondContact O-N 2.97Å; H1587-K1591 VanDerWaalsContact O-N 3.08Å; R1588-K1591 PolarHBondContact O-N 3.15Å; K1591-Q1593 VanDerWaalsContact C-N 3.34Å; K1591-I1594 PolarHBondContact O-N 3.24Å; K1591-N1595 PolarHBondContact O-N 3.03Å; K1591-N1595 VanDerWaalsContact O-N 3.14Å; K1591-N1595 PolarHBondContact O-ND2 3.42Å; K1591-V1622 HydrophobicContact CG-CG1 4.45Å; K1591-V1622 HydrophobicContact CG-CG2 4.33Å
1592I89.4Confident85.6Confident100 Ų10071.9 Ų71.951%0.51336%0.355SS..Hα-helixtrans-63.6-43173.7-65.1165000110.5R1588 K1589 L1590 I1594 N1595 T1596R1588-I1592 HydrophobicContact CG-CD1 4.36Å; R1588-I1592 WeakPolarHBondContact O-CG1 3.41Å; R1588-I1592 PolarHBondContact O-N 3.21Å; R1588-I1592 VanDerWaalsContact O-N 3.14Å; K1589-I1592 PolarHBondContact O-N 3.01Å; L1590-I1592 VanDerWaalsContact C-N 3.32Å; L1590-I1592 PolarHBondContact O-N 3.14Å; I1592-I1594 PolarHBondContact O-N 2.9Å; I1592-N1595 WeakPolarHBondContact O-CB 3.49Å; I1592-N1595 PolarHBondContact O-N 3.37Å; I1592-N1595 VanDerWaalsContact O-N 3.16Å; I1592-T1596 PolarHBondContact O-N 3.2Å; I1592-T1596 PolarHBondContact O-OG1 3.15Å
1593Q86.8Confident84.8Confident39.8 Ų39.877.2 Ų77.219%0.18638%0.381CS..Hα-helixtrans-61.9-42.1178-159.4176.9-6.400112.3E1566 R1569 K1589 L1590 K1591 T1596 Y1597E1566-Q1593 PolarHBondContact OE2-NE2 2.91Å; R1569-Q1593 VanDerWaalsContact NH2-NE2 3.16Å; R1569-Q1593 VanDerWaalsContact NH2-OE1 3.13Å; K1589-Q1593 WeakPolarHBondContact O-CG 3.4Å; K1589-Q1593 PolarHBondContact O-N 3.14Å; L1590-Q1593 WeakPolarHBondContact O-CB 3.41Å; L1590-Q1593 PolarHBondContact O-N 3.02Å; L1590-Q1593 VanDerWaalsContact O-N 3.13Å; K1591-Q1593 VanDerWaalsContact C-N 3.34Å; Q1593-T1596 WeakPolarHBondContact O-CB 3.41Å; Q1593-T1596 PolarHBondContact O-N 3.07Å; Q1593-Y1597 HydrophobicContact CB-CE2 4.21Å; Q1593-Y1597 HydrophobicContact CG-CD2 4.16Å; Q1593-Y1597 HydrophobicContact CG-CE1 4.38Å; Q1593-Y1597 HydrophobicContact CG-CE2 3.58Å; Q1593-Y1597 PolarHBondContact NE2-OH 3.22Å; Q1593-Y1597 VanDerWaalsContact O-CD2 3.29Å; Q1593-Y1597 WeakPolarHBondContact O-CD2 3.43Å; Q1593-Y1597 VanDerWaalsContact O-CG 3.32Å; Q1593-Y1597 PolarHBondContact O-N 3.24Å
1594I86.9Confident84.5Confident15 Ų1579 Ų798%0.07740%0.396CS..Hα-helixtrans-59-48.9175-69.9164.6000110.7L1590 K1591 I1592 T1596 Y1597 A1598 T1615 A1618 V1619 V1622 L1846L1590-I1594 WeakPolarHBondContact O-CG1 3.42Å; L1590-I1594 PolarHBondContact O-N 2.94Å; K1591-I1594 PolarHBondContact O-N 3.24Å; I1592-I1594 PolarHBondContact O-N 2.9Å; I1594-T1596 VanDerWaalsContact C-N 3.3Å; I1594-T1596 PolarHBondContact O-N 3.23Å; I1594-Y1597 PolarHBondContact O-N 3.2Å; I1594-Y1597 VanDerWaalsContact O-N 3.16Å; I1594-A1598 WeakPolarHBondContact O-CB 3.4Å; I1594-A1598 PolarHBondContact O-N 3.07Å; I1594-T1615 HydrophobicContact CG2-CG2 4.36Å; I1594-A1618 HydrophobicContact CD1-CB 4.27Å; I1594-A1618 HydrophobicContact CG1-CB 3.65Å; I1594-V1619 HydrophobicContact CD1-CG2 3.95Å; I1594-V1619 HydrophobicContact CG1-CG2 4.35Å; I1594-V1619 HydrophobicContact CG2-CG2 4.28Å; I1594-V1622 HydrophobicContact CD1-CB 4.45Å; I1594-V1622 HydrophobicContact CD1-CG2 3.62Å; I1594-L1846 HydrophobicContact CG2-CD2 4.04Å; I1594-L1846 HydrophobicContact CG2-CG 4.48Å
1595N84.9Confident83.9Confident106.8 Ų106.875 Ų7557%0.57139%0.391SS*.Hα-helixtrans-62.8-35.9178.3-69.5-16.1000111.9K1591 I1592 A1598 S1599K1591-N1595 PolarHBondContact O-N 3.03Å; K1591-N1595 VanDerWaalsContact O-N 3.14Å; K1591-N1595 PolarHBondContact O-ND2 3.42Å; I1592-N1595 WeakPolarHBondContact O-CB 3.49Å; I1592-N1595 PolarHBondContact O-N 3.37Å; I1592-N1595 VanDerWaalsContact O-N 3.16Å; N1595-A1598 PolarHBondContact O-N 3.22Å; N1595-S1599 VanDerWaalsContact O-CB 3.32Å; N1595-S1599 WeakPolarHBondContact O-CB 3.42Å; N1595-S1599 PolarHBondContact O-N 3.25Å; N1595-S1599 VanDerWaalsContact O-N 3.16Å; N1595-S1599 PolarHBondContact O-OG 2.88Å
1596T85.4Confident83.5Confident69.4 Ų69.472.8 Ų72.843%0.42638%0.38SS..Hα-helixtrans-63.8-47.7174.5-53.30000110.8I1592 Q1593 I1594 A1598 S1599 I1600I1592-T1596 PolarHBondContact O-N 3.2Å; I1592-T1596 PolarHBondContact O-OG1 3.15Å; Q1593-T1596 WeakPolarHBondContact O-CB 3.41Å; Q1593-T1596 PolarHBondContact O-N 3.07Å; I1594-T1596 VanDerWaalsContact C-N 3.3Å; I1594-T1596 PolarHBondContact O-N 3.23Å; T1596-A1598 VanDerWaalsContact C-N 3.33Å; T1596-A1598 PolarHBondContact O-N 2.98Å; T1596-S1599 PolarHBondContact O-N 3.16Å; T1596-S1599 VanDerWaalsContact O-N 3.14Å; T1596-S1599 PolarHBondContact O-OG 3.1Å; T1596-I1600 HydrophobicContact CG2-CD1 4.27Å; T1596-I1600 WeakPolarHBondContact O-CD1 3.41Å; T1596-I1600 VanDerWaalsContact O-CG1 3.31Å; T1596-I1600 WeakPolarHBondContact O-CG1 3.28Å; T1596-I1600 PolarHBondContact O-N 3.35Å
1597Y84.2Confident83.3Confident39.6 Ų39.673.5 Ų73.516%0.15538%0.384CS..Hα-helixtrans-64.5-39.5177.9-64.7-29000113.2Q1593 I1594 S1599 I1600 L1611 L1614 T1615Q1593-Y1597 HydrophobicContact CB-CE2 4.21Å; Q1593-Y1597 HydrophobicContact CG-CD2 4.16Å; Q1593-Y1597 HydrophobicContact CG-CE1 4.38Å; Q1593-Y1597 HydrophobicContact CG-CE2 3.58Å; Q1593-Y1597 PolarHBondContact NE2-OH 3.22Å; Q1593-Y1597 VanDerWaalsContact O-CD2 3.29Å; Q1593-Y1597 WeakPolarHBondContact O-CD2 3.43Å; Q1593-Y1597 VanDerWaalsContact O-CG 3.32Å; Q1593-Y1597 PolarHBondContact O-N 3.24Å; I1594-Y1597 PolarHBondContact O-N 3.2Å; I1594-Y1597 VanDerWaalsContact O-N 3.16Å; Y1597-S1599 VanDerWaalsContact C-N 3.28Å; Y1597-S1599 PolarHBondContact O-N 3.31Å; Y1597-I1600 HydrophobicContact CD1-CD1 4.42Å; Y1597-I1600 PolarHBondContact O-N 3.18Å; Y1597-L1611 HydrophobicContact CD1-CD2 4.26Å; Y1597-L1614 HydrophobicContact CD2-CB 4.2Å; Y1597-L1614 HydrophobicContact CE2-CB 4.04Å; Y1597-T1615 WeakPolarHBondContact CB-OG1 3.41Å
1598A78.6Confident82.8Confident37 Ų3773.5 Ų73.531%0.30638%0.384SS..Hα-helixtrans-67.2-27.8176.800000112.9I1594 N1595 T1596I1594-A1598 WeakPolarHBondContact O-CB 3.4Å; I1594-A1598 PolarHBondContact O-N 3.07Å; N1595-A1598 PolarHBondContact O-N 3.22Å; T1596-A1598 VanDerWaalsContact C-N 3.33Å; T1596-A1598 PolarHBondContact O-N 2.98Å
1599S78.6Confident82.4Confident87.8 Ų87.867.6 Ų67.661%0.61437%0.366SS*.Hα-helixtrans-81.9-20.3-179.857.20000114.4N1595 T1596 Y1597 Q1601N1595-S1599 VanDerWaalsContact O-CB 3.32Å; N1595-S1599 WeakPolarHBondContact O-CB 3.42Å; N1595-S1599 PolarHBondContact O-N 3.25Å; N1595-S1599 VanDerWaalsContact O-N 3.16Å; N1595-S1599 PolarHBondContact O-OG 2.88Å; T1596-S1599 PolarHBondContact O-N 3.16Å; T1596-S1599 VanDerWaalsContact O-N 3.14Å; T1596-S1599 PolarHBondContact O-OG 3.1Å; Y1597-S1599 VanDerWaalsContact C-N 3.28Å; Y1597-S1599 PolarHBondContact O-N 3.31Å; S1599-Q1601 PolarHBondContact O-N 3.2Å
1600I80.3Confident82.3Confident74.4 Ų74.461.3 Ų61.338%0.38234%0.339SS..PPolyproline II helixtrans-74.9118.4-179.4-65.1162.8000109.2T1596 Y1597 P1602 L1611T1596-I1600 HydrophobicContact CG2-CD1 4.27Å; T1596-I1600 WeakPolarHBondContact O-CD1 3.41Å; T1596-I1600 VanDerWaalsContact O-CG1 3.31Å; T1596-I1600 WeakPolarHBondContact O-CG1 3.28Å; T1596-I1600 PolarHBondContact O-N 3.35Å; Y1597-I1600 HydrophobicContact CD1-CD1 4.42Å; Y1597-I1600 PolarHBondContact O-N 3.18Å; I1600-P1602 VanDerWaalsContact O-CD 3.29Å; I1600-P1602 WeakPolarHBondContact O-CD 3.33Å; I1600-L1611 HydrophobicContact CB-CD1 4Å; I1600-L1611 HydrophobicContact CD1-CD2 4.14Å; I1600-L1611 HydrophobicContact CG2-CD1 3.62Å
1601Q70.2Confident82.1Confident134.6 Ų134.661.5 Ų61.563%0.62934%0.34SS*.PPolyproline II helixtrans-88.5114.6170-72-172.9-15.700109.6S1599 K1915S1599-Q1601 PolarHBondContact O-N 3.2Å; Q1601-K1915 VanDerWaalsContact NE2-CD 3.3Å; Q1601-K1915 VanDerWaalsContact NE2-NZ 3.16Å
1602P71.8Confident82Confident35 Ų3559 Ų5923%0.22733%0.329CS..PPolyproline II helixtrans-83.8135.8-17930.8-32000111.8I1600 S1604 L1607 Q1608 L1611I1600-P1602 VanDerWaalsContact O-CD 3.29Å; I1600-P1602 WeakPolarHBondContact O-CD 3.33Å; P1602-S1604 VanDerWaalsContact C-N 3.3Å; P1602-S1604 PolarHBondContact O-N 2.97Å; P1602-L1607 HydrophobicContact CB-CB 3.96Å; P1602-L1607 HydrophobicContact CB-CD1 4.22Å; P1602-L1607 HydrophobicContact CB-CD2 4.09Å; P1602-L1607 HydrophobicContact CB-CG 3.92Å; P1602-L1607 HydrophobicContact CG-CB 3.75Å; P1602-Q1608 HydrophobicContact CB-CB 3.76Å; P1602-Q1608 VanDerWaalsContact CG-CA 3.42Å; P1602-Q1608 HydrophobicContact CG-CB 3.57Å; P1602-Q1608 VanDerWaalsContact CG-CB 3.47Å; P1602-Q1608 HydrophobicContact CG-CG 3.81Å; P1602-L1611 HydrophobicContact CB-CD1 4.24Å; P1602-L1611 HydrophobicContact CG-CD1 3.94Å
1603D73.4Confident81.9Confident168 Ų16854.4 Ų54.490%0.89831%0.306SS*.SBendtrans-73.1-22.7174.9-61.6-34.6000113.2
1604S79.6Confident82Confident56.8 Ų56.852.9 Ų52.940%0.39730%0.299SS..SBendtrans-117.9144.3-178.883.10000112.1P1602 V1606 L1607 Q1608P1602-S1604 VanDerWaalsContact C-N 3.3Å; P1602-S1604 PolarHBondContact O-N 2.97Å; S1604-V1606 PolarHBondContact O-N 3.07Å; S1604-V1606 PolarHBondContact OG-N 3.11Å; S1604-L1607 PolarHBondContact O-N 3.15Å; S1604-L1607 VanDerWaalsContact O-N 3.15Å; S1604-L1607 VanDerWaalsContact OG-CB 3.26Å; S1604-L1607 WeakPolarHBondContact OG-CB 3.37Å; S1604-L1607 PolarHBondContact OG-N 3.27Å; S1604-L1607 VanDerWaalsContact OG-N 3.14Å; S1604-Q1608 PolarHBondContact O-N 3.18Å
1605V78.8Confident82.1Confident97.8 Ų97.852.3 Ų52.359%0.59330%0.296SS*.Hα-helixtrans-57.4-36.9175.2-177.90000111.4Q1608 S1609V1605-Q1608 WeakPolarHBondContact O-CB 3.3Å; V1605-Q1608 PolarHBondContact O-N 3.19Å; V1605-S1609 WeakPolarHBondContact O-CB 3.29Å; V1605-S1609 PolarHBondContact O-N 3.19Å; V1605-S1609 PolarHBondContact O-OG 3.15Å
1606V82.1Confident82.3Confident25.8 Ų25.848.2 Ų48.216%0.15627%0.274CS..Hα-helixtrans-63.5-48.9176.6177.60000110.9D1504 E1506 S1604 Q1608 S1609 K1610D1504-V1606 WeakPolarHBondContact O-CG2 3.39Å; E1506-V1606 HydrophobicContact CB-CG1 4.16Å; E1506-V1606 HydrophobicContact CG-CG1 4.4Å; S1604-V1606 PolarHBondContact O-N 3.07Å; S1604-V1606 PolarHBondContact OG-N 3.11Å; V1606-Q1608 VanDerWaalsContact C-N 3.29Å; V1606-Q1608 PolarHBondContact O-N 3.16Å; V1606-S1609 PolarHBondContact O-N 2.99Å; V1606-K1610 HydrophobicContact CG1-CD 4.27Å; V1606-K1610 WeakPolarHBondContact O-CG 3.35Å; V1606-K1610 PolarHBondContact O-N 3.05Å
1607L84.3Confident82.5Confident31.4 Ų31.445.8 Ų45.816%0.16426%0.259CS..Hα-helixtrans-63.3-38.7178.9-163.275.6000111.2P1554 P1602 S1604 S1609 K1610 L1611P1554-L1607 HydrophobicContact CB-CD1 3.68Å; P1554-L1607 HydrophobicContact CB-CD2 4.07Å; P1554-L1607 HydrophobicContact CG-CD1 4.36Å; P1602-L1607 HydrophobicContact CB-CB 3.96Å; P1602-L1607 HydrophobicContact CB-CD1 4.22Å; P1602-L1607 HydrophobicContact CB-CD2 4.09Å; P1602-L1607 HydrophobicContact CB-CG 3.92Å; P1602-L1607 HydrophobicContact CG-CB 3.75Å; S1604-L1607 PolarHBondContact O-N 3.15Å; S1604-L1607 VanDerWaalsContact O-N 3.15Å; S1604-L1607 VanDerWaalsContact OG-CB 3.26Å; S1604-L1607 WeakPolarHBondContact OG-CB 3.37Å; S1604-L1607 PolarHBondContact OG-N 3.27Å; S1604-L1607 VanDerWaalsContact OG-N 3.14Å; L1607-S1609 VanDerWaalsContact C-N 3.35Å; L1607-S1609 PolarHBondContact O-N 3.14Å; L1607-K1610 HydrophobicContact CD2-CD 4.5Å; L1607-K1610 WeakPolarHBondContact O-CB 3.4Å; L1607-K1610 PolarHBondContact O-N 2.95Å; L1607-L1611 HydrophobicContact CD1-CD1 4.4Å; L1607-L1611 HydrophobicContact CD1-CG 4.36Å; L1607-L1611 HydrophobicContact CG-CD1 4.18Å; L1607-L1611 WeakPolarHBondContact O-CB 3.43Å; L1607-L1611 WeakPolarHBondContact O-CG 3.35Å; L1607-L1611 PolarHBondContact O-N 3.13Å
1608Q82.6Confident82.8Confident29.8 Ų29.844.4 Ų44.414%0.13926%0.255CS..Hα-helixtrans-58.5-49.3174.8-172-173.1-3.200111.6P1602 S1604 V1605 V1606 K1610 L1611 K1612 R1912P1602-Q1608 HydrophobicContact CB-CB 3.76Å; P1602-Q1608 VanDerWaalsContact CG-CA 3.42Å; P1602-Q1608 HydrophobicContact CG-CB 3.57Å; P1602-Q1608 VanDerWaalsContact CG-CB 3.47Å; P1602-Q1608 HydrophobicContact CG-CG 3.81Å; S1604-Q1608 PolarHBondContact O-N 3.18Å; V1605-Q1608 WeakPolarHBondContact O-CB 3.3Å; V1605-Q1608 PolarHBondContact O-N 3.19Å; V1606-Q1608 VanDerWaalsContact C-N 3.29Å; V1606-Q1608 PolarHBondContact O-N 3.16Å; Q1608-K1610 VanDerWaalsContact C-N 3.31Å; Q1608-K1610 PolarHBondContact O-N 3.24Å; Q1608-L1611 PolarHBondContact O-N 3.25Å; Q1608-K1612 HydrophobicContact CG-CD 4.38Å; Q1608-K1612 VanDerWaalsContact NE2-CE 3.33Å; Q1608-K1612 VanDerWaalsContact NE2-NZ 3.17Å; Q1608-K1612 WeakPolarHBondContact O-CB 3.35Å; Q1608-K1612 VanDerWaalsContact O-CG 3.31Å; Q1608-K1612 WeakPolarHBondContact O-CG 3.36Å; Q1608-K1612 PolarHBondContact O-N 3.17Å; Q1608-R1912 VanDerWaalsContact CD-NH1 3.29Å
1609S83.4Confident83.3Confident28.2 Ų28.243.2 Ų43.220%0.19724%0.244CC..Hα-helixtrans-64.7-36.4-179.7-63.40000112V1605 V1606 L1607 K1612 A1613 Q1673V1605-S1609 WeakPolarHBondContact O-CB 3.29Å; V1605-S1609 PolarHBondContact O-N 3.19Å; V1605-S1609 PolarHBondContact O-OG 3.15Å; V1606-S1609 PolarHBondContact O-N 2.99Å; L1607-S1609 VanDerWaalsContact C-N 3.35Å; L1607-S1609 PolarHBondContact O-N 3.14Å; S1609-K1612 PolarHBondContact O-N 3.45Å; S1609-A1613 WeakPolarHBondContact O-CB 3.41Å; S1609-A1613 PolarHBondContact O-N 3.06Å; S1609-A1613 VanDerWaalsContact O-N 3.09Å; S1609-Q1673 PolarHBondContact O-NE2 3.19Å; S1609-Q1673 VanDerWaalsContact O-NE2 3.07Å
1610K87.8Confident83.9Confident11.4 Ų11.440.6 Ų40.65%0.0522%0.222CC..Hα-helixtrans-62.2-48.5172.6-73.9177.2179.2-171.30112.2E1506 P1554 Y1557 C1559 L1562 V1606 L1607 Q1608 K1612 A1613 L1614E1506-K1610 WeakPolarHBondContact OE1-CE 3.42Å; E1506-K1610 IonicContact OE1-NZ 2.73Å; E1506-K1610 PolarHBondContact OE1-NZ 2.93Å; P1554-K1610 VanDerWaalsContact O-CD 3.28Å; P1554-K1610 WeakPolarHBondContact O-CD 3.37Å; P1554-K1610 PolarHBondContact O-NZ 3.1Å; P1554-K1610 VanDerWaalsContact O-NZ 3.13Å; Y1557-K1610 PolarHBondContact O-NZ 3.13Å; C1559-K1610 HydrophobicContact CB-CG 3.83Å; L1562-K1610 HydrophobicContact CD1-CD 4.16Å; V1606-K1610 HydrophobicContact CG1-CD 4.27Å; V1606-K1610 WeakPolarHBondContact O-CG 3.35Å; V1606-K1610 PolarHBondContact O-N 3.05Å; L1607-K1610 HydrophobicContact CD2-CD 4.5Å; L1607-K1610 WeakPolarHBondContact O-CB 3.4Å; L1607-K1610 PolarHBondContact O-N 2.95Å; Q1608-K1610 VanDerWaalsContact C-N 3.31Å; Q1608-K1610 PolarHBondContact O-N 3.24Å; K1610-K1612 VanDerWaalsContact C-N 3.34Å; K1610-K1612 PolarHBondContact O-N 3.49Å; K1610-A1613 PolarHBondContact O-N 3.15Å; K1610-L1614 WeakPolarHBondContact O-CG 3.38Å; K1610-L1614 PolarHBondContact O-N 3.07Å
1611L86Confident84.4Confident9.6 Ų9.637.4 Ų37.45%0.0521%0.206CC..Hα-helixtrans-63.4-42.6179.1-71.2172000111.4P1554 Y1597 I1600 P1602 L1607 Q1608 A1613 L1614 T1615P1554-L1611 HydrophobicContact CG-CD2 4.33Å; Y1597-L1611 HydrophobicContact CD1-CD2 4.26Å; I1600-L1611 HydrophobicContact CB-CD1 4Å; I1600-L1611 HydrophobicContact CD1-CD2 4.14Å; I1600-L1611 HydrophobicContact CG2-CD1 3.62Å; P1602-L1611 HydrophobicContact CB-CD1 4.24Å; P1602-L1611 HydrophobicContact CG-CD1 3.94Å; L1607-L1611 HydrophobicContact CD1-CD1 4.4Å; L1607-L1611 HydrophobicContact CD1-CG 4.36Å; L1607-L1611 HydrophobicContact CG-CD1 4.18Å; L1607-L1611 WeakPolarHBondContact O-CB 3.43Å; L1607-L1611 WeakPolarHBondContact O-CG 3.35Å; L1607-L1611 PolarHBondContact O-N 3.13Å; Q1608-L1611 PolarHBondContact O-N 3.25Å; L1611-A1613 VanDerWaalsContact C-N 3.32Å; L1611-A1613 PolarHBondContact O-N 3.09Å; L1611-L1614 PolarHBondContact O-N 2.95Å; L1611-T1615 WeakPolarHBondContact O-CB 3.34Å; L1611-T1615 PolarHBondContact O-N 3.21Å; L1611-T1615 PolarHBondContact O-OG1 3.07Å
1612K87.1Confident85.4Confident41 Ų4131.4 Ų31.418%0.17818%0.179CC..Hα-helixtrans-55.5-48.3173-75.5178.4177-170.30112Q1608 S1609 K1610 L1614 T1615 L1616 A1847 E1848Q1608-K1612 HydrophobicContact CG-CD 4.38Å; Q1608-K1612 VanDerWaalsContact NE2-CE 3.33Å; Q1608-K1612 VanDerWaalsContact NE2-NZ 3.17Å; Q1608-K1612 WeakPolarHBondContact O-CB 3.35Å; Q1608-K1612 VanDerWaalsContact O-CG 3.31Å; Q1608-K1612 WeakPolarHBondContact O-CG 3.36Å; Q1608-K1612 PolarHBondContact O-N 3.17Å; S1609-K1612 PolarHBondContact O-N 3.45Å; K1610-K1612 VanDerWaalsContact C-N 3.34Å; K1610-K1612 PolarHBondContact O-N 3.49Å; K1612-L1614 PolarHBondContact O-N 3.13Å; K1612-T1615 PolarHBondContact O-N 3.23Å; K1612-L1616 WeakPolarHBondContact O-CG 3.4Å; K1612-L1616 PolarHBondContact O-N 3.02Å; K1612-A1847 HydrophobicContact CG-CB 4.41Å; K1612-A1847 WeakPolarHBondContact CG-O 3.27Å; K1612-E1848 WeakPolarHBondContact CE-OE1 3.41Å; K1612-E1848 VanDerWaalsContact CE-OE2 3.31Å; K1612-E1848 WeakPolarHBondContact CE-OE2 3.33Å; K1612-E1848 IonicContact NZ-OE1 3.31Å; K1612-E1848 PolarHBondContact NZ-OE1 3.14Å; K1612-E1848 IonicContact NZ-OE2 3.41Å; K1612-E1848 PolarHBondContact NZ-OE2 3.14Å
1613A88.1Confident86.3Confident2.8 Ų2.832.9 Ų32.92%0.02319%0.187CC..Hα-helixtrans-62.5-42.417900000112.4S1609 K1610 L1611 L1616 D1617 R1676S1609-A1613 WeakPolarHBondContact O-CB 3.41Å; S1609-A1613 PolarHBondContact O-N 3.06Å; S1609-A1613 VanDerWaalsContact O-N 3.09Å; K1610-A1613 PolarHBondContact O-N 3.15Å; L1611-A1613 VanDerWaalsContact C-N 3.32Å; L1611-A1613 PolarHBondContact O-N 3.09Å; A1613-L1616 PolarHBondContact O-N 3.03Å; A1613-D1617 WeakPolarHBondContact O-CB 3.34Å; A1613-D1617 VanDerWaalsContact O-CG 3.32Å; A1613-D1617 PolarHBondContact O-N 3.21Å; A1613-D1617 VanDerWaalsContact O-N 3.1Å; A1613-R1676 HydrophobicContact CB-CG 3.95Å
1614L88.5Confident87.2Confident8 Ų825 Ų254%0.04215%0.146CC..Hα-helixtrans-66.7-40.1176.5-71.9172.3000112.4P1554 L1562 E1566 Y1597 K1610 L1611 K1612 D1617 A1618P1554-L1614 HydrophobicContact CG-CD1 4.45Å; L1562-L1614 HydrophobicContact CB-CD2 4.31Å; E1566-L1614 HydrophobicContact CG-CD2 4.12Å; Y1597-L1614 HydrophobicContact CD2-CB 4.2Å; Y1597-L1614 HydrophobicContact CE2-CB 4.04Å; K1610-L1614 WeakPolarHBondContact O-CG 3.38Å; K1610-L1614 PolarHBondContact O-N 3.07Å; L1611-L1614 PolarHBondContact O-N 2.95Å; K1612-L1614 PolarHBondContact O-N 3.13Å; L1614-D1617 PolarHBondContact O-N 3.07Å; L1614-A1618 VanDerWaalsContact O-CB 3.29Å; L1614-A1618 WeakPolarHBondContact O-CB 3.4Å; L1614-A1618 PolarHBondContact O-N 3.35Å
1615T88.9Confident87.7Confident3 Ų322.3 Ų22.32%0.01813%0.127CC..Hα-helixtrans-61.6-47.7176.2-58.80000110.5I1594 Y1597 L1611 K1612 D1617 A1618 V1619 L1846I1594-T1615 HydrophobicContact CG2-CG2 4.36Å; Y1597-T1615 WeakPolarHBondContact CB-OG1 3.41Å; L1611-T1615 WeakPolarHBondContact O-CB 3.34Å; L1611-T1615 PolarHBondContact O-N 3.21Å; L1611-T1615 PolarHBondContact O-OG1 3.07Å; K1612-T1615 PolarHBondContact O-N 3.23Å; T1615-D1617 PolarHBondContact O-N 3.11Å; T1615-A1618 PolarHBondContact O-N 3.22Å; T1615-V1619 HydrophobicContact CG2-CG2 4.39Å; T1615-V1619 WeakPolarHBondContact O-CB 3.33Å; T1615-V1619 VanDerWaalsContact O-CG2 3.23Å; T1615-V1619 WeakPolarHBondContact O-CG2 3.42Å; T1615-V1619 PolarHBondContact O-N 3.08Å; T1615-L1846 HydrophobicContact CG2-CG 4.44Å
1616L89.5Confident88.3Confident21.4 Ų21.420.8 Ų20.811%0.11212%0.115CC..Hα-helixtrans-61.9-42.3177.7-70.3173.9000112.6K1612 A1613 V1619 H1620 R1676 V1678 N1843 A1847K1612-L1616 WeakPolarHBondContact O-CG 3.4Å; K1612-L1616 PolarHBondContact O-N 3.02Å; A1613-L1616 PolarHBondContact O-N 3.03Å; L1616-V1619 PolarHBondContact O-N 3.24Å; L1616-H1620 PolarHBondContact O-N 3.22Å; L1616-R1676 HydrophobicContact CD1-CB 3.98Å; L1616-V1678 HydrophobicContact CD2-CG2 4.13Å; L1616-N1843 HydrophobicContact CD2-CB 4.06Å; L1616-A1847 HydrophobicContact CD2-CB 4.12Å; L1616-A1847 HydrophobicContact CG-CB 4.18Å
1617D89Confident88.7Confident19.2 Ų19.221.5 Ų21.510%0.10312%0.118CC..Hα-helixtrans-64.9-39.9176.5-80.7-4.1000111.8C1563 R1567 A1613 L1614 T1615 H1620 A1621 R1676C1563-D1617 VanDerWaalsContact CB-OD2 3.3Å; C1563-D1617 WeakPolarHBondContact CB-OD2 3.34Å; C1563-D1617 PolarHBondContact SG-OD2 3.13Å; C1563-D1617 VanDerWaalsContact SG-OD2 3.42Å; R1567-D1617 IonicContact CZ-OD1 3.48Å; R1567-D1617 IonicContact CZ-OD2 3.11Å; R1567-D1617 IonicContact NE-OD1 2.89Å; R1567-D1617 IonicContact NE-OD2 3.28Å; R1567-D1617 PolarHBondContact NE-OD2 3.18Å; R1567-D1617 IonicContact NH1-OD1 3.07Å; R1567-D1617 IonicContact NH1-OD2 3.05Å; R1567-D1617 PolarHBondContact NH1-OD2 3.34Å; R1567-D1617 VanDerWaalsContact NH2-CG 3.33Å; R1567-D1617 IonicContact NH2-OD1 3.09Å; R1567-D1617 PolarHBondContact NH2-OD1 3.29Å; R1567-D1617 IonicContact NH2-OD2 3.31Å; R1567-D1617 PolarHBondContact NH2-OD2 3.29Å; A1613-D1617 WeakPolarHBondContact O-CB 3.34Å; A1613-D1617 VanDerWaalsContact O-CG 3.32Å; A1613-D1617 PolarHBondContact O-N 3.21Å; A1613-D1617 VanDerWaalsContact O-N 3.1Å; L1614-D1617 PolarHBondContact O-N 3.07Å; T1615-D1617 PolarHBondContact O-N 3.11Å; D1617-H1620 PolarHBondContact O-N 3.12Å; D1617-A1621 WeakPolarHBondContact O-CB 3.27Å; D1617-A1621 PolarHBondContact O-N 3.15Å; D1617-R1676 VanDerWaalsContact OD1-CD 3.25Å; D1617-R1676 WeakPolarHBondContact OD1-CD 3.34Å; D1617-R1676 IonicContact OD1-CZ 3.33Å; D1617-R1676 IonicContact OD1-NE 2.71Å; D1617-R1676 PolarHBondContact OD1-NE 3.01Å; D1617-R1676 IonicContact OD1-NH1 3.05Å; D1617-R1676 PolarHBondContact OD1-NH1 3.1Å; D1617-R1676 IonicContact OD2-CZ 3.41Å; D1617-R1676 IonicContact OD2-NE 3.67Å; D1617-R1676 PolarHBondContact OD2-NE 2.81Å; D1617-R1676 IonicContact OD2-NH1 3.11Å; D1617-R1676 PolarHBondContact OD2-NH1 3.31Å; D1617-R1676 IonicContact OD2-NH2 3.51Å; D1617-R1676 PolarHBondContact OD2-NH2 2.81Å
1618A89.7Confident89Confident9 Ų920 Ų207%0.07411%0.11CC..Hα-helixtrans-68.6-38.2177.200000112.3I1594 L1614 T1615 A1621 V1622I1594-A1618 HydrophobicContact CD1-CB 4.27Å; I1594-A1618 HydrophobicContact CG1-CB 3.65Å; L1614-A1618 VanDerWaalsContact O-CB 3.29Å; L1614-A1618 WeakPolarHBondContact O-CB 3.4Å; L1614-A1618 PolarHBondContact O-N 3.35Å; T1615-A1618 PolarHBondContact O-N 3.22Å; A1618-A1621 WeakPolarHBondContact O-CB 3.37Å; A1618-A1621 PolarHBondContact O-N 3.09Å; A1618-V1622 WeakPolarHBondContact O-CG2 3.36Å; A1618-V1622 PolarHBondContact O-N 3.12Å
1619V89.9Confident89.4Confident13 Ų1320.7 Ų20.78%0.07912%0.115CC..Hα-helixtrans-62.2-46.5174.2169.90000110.6I1594 T1615 L1616 A1621 V1622 V1623 N1843 L1846I1594-V1619 HydrophobicContact CD1-CG2 3.95Å; I1594-V1619 HydrophobicContact CG1-CG2 4.35Å; I1594-V1619 HydrophobicContact CG2-CG2 4.28Å; T1615-V1619 HydrophobicContact CG2-CG2 4.39Å; T1615-V1619 WeakPolarHBondContact O-CB 3.33Å; T1615-V1619 VanDerWaalsContact O-CG2 3.23Å; T1615-V1619 WeakPolarHBondContact O-CG2 3.42Å; T1615-V1619 PolarHBondContact O-N 3.08Å; L1616-V1619 PolarHBondContact O-N 3.24Å; V1619-A1621 VanDerWaalsContact C-N 3.31Å; V1619-A1621 PolarHBondContact O-N 3.12Å; V1619-V1622 WeakPolarHBondContact O-CB 3.32Å; V1619-V1622 PolarHBondContact O-N 3.06Å; V1619-V1622 VanDerWaalsContact O-N 3.12Å; V1619-V1623 WeakPolarHBondContact O-CG2 3.43Å; V1619-V1623 PolarHBondContact O-N 3.11Å; V1619-V1623 VanDerWaalsContact O-N 3.09Å; V1619-N1843 VanDerWaalsContact CG1-OD1 3.31Å; V1619-N1843 WeakPolarHBondContact CG1-OD1 3.28Å; V1619-L1846 HydrophobicContact CG2-CD1 4.19Å; V1619-L1846 HydrophobicContact CG2-CD2 3.6Å; V1619-L1846 VanDerWaalsContact CG2-CD2 3.49Å
1620H90.9Very high89.7Confident31.8 Ų31.826.4 Ų26.415%0.14714%0.138CC..Hα-helixtrans-60.4-41.5174.6175.557.8000112L1616 D1617 V1622 V1623 V1624 Q1679 D1684L1616-H1620 PolarHBondContact O-N 3.22Å; D1617-H1620 PolarHBondContact O-N 3.12Å; H1620-V1622 VanDerWaalsContact C-N 3.26Å; H1620-V1622 PolarHBondContact O-N 3.06Å; H1620-V1623 WeakPolarHBondContact O-CB 3.28Å; H1620-V1623 PolarHBondContact O-N 3.19Å; H1620-V1623 VanDerWaalsContact O-N 3.11Å; H1620-V1624 VanDerWaalsContact CE1-CG2 3.47Å; H1620-V1624 WeakPolarHBondContact CE1-CG2 3.42Å; H1620-V1624 WeakPolarHBondContact O-CG2 3.4Å; H1620-V1624 PolarHBondContact O-N 3.35Å; H1620-Q1679 HydrophobicContact CB-CB 4.43Å; H1620-Q1679 VanDerWaalsContact CD2-CB 3.48Å; H1620-Q1679 WeakPolarHBondContact CD2-CB 3.39Å; H1620-Q1679 PolarHBondContact CD2-OE1 3.13Å; H1620-Q1679 PolarHBondContact CE1-OE1 3.01Å; H1620-Q1679 VanDerWaalsContact CE1-OE1 3.29Å; H1620-Q1679 PolarHBondContact ND1-OE1 3.36Å; H1620-Q1679 VanDerWaalsContact ND1-OE1 3.11Å; H1620-Q1679 PolarHBondContact NE2-OE1 3.03Å; H1620-D1684 IonicContact CE1-OD1 3.26Å; H1620-D1684 PolarHBondContact CE1-OD1 2.93Å; H1620-D1684 IonicContact CE1-OD2 2.77Å; H1620-D1684 PolarHBondContact CE1-OD2 2.94Å; H1620-D1684 IonicContact NE2-OD1 2.85Å
1621A91.5Very high89.7Confident6.8 Ų6.829.6 Ų29.66%0.05615%0.153CC..Hα-helixtrans-59.4-35.9175.400000112.7F1570 L1590 D1617 A1618 V1619 V1624 L1625F1570-A1621 HydrophobicContact CD1-CB 4.27Å; F1570-A1621 HydrophobicContact CD2-CB 3.8Å; F1570-A1621 HydrophobicContact CE1-CB 4.12Å; F1570-A1621 HydrophobicContact CE2-CB 3.64Å; F1570-A1621 HydrophobicContact CG-CB 4.11Å; F1570-A1621 HydrophobicContact CZ-CB 3.8Å; F1570-A1621 WeakPolarHBondContact CZ-O 3.14Å; L1590-A1621 HydrophobicContact CD1-CB 4Å; D1617-A1621 WeakPolarHBondContact O-CB 3.27Å; D1617-A1621 PolarHBondContact O-N 3.15Å; A1618-A1621 WeakPolarHBondContact O-CB 3.37Å; A1618-A1621 PolarHBondContact O-N 3.09Å; V1619-A1621 VanDerWaalsContact C-N 3.31Å; V1619-A1621 PolarHBondContact O-N 3.12Å; A1621-V1624 PolarHBondContact O-N 3.04Å; A1621-L1625 WeakPolarHBondContact O-CG 3.36Å; A1621-L1625 PolarHBondContact O-N 3.26Å; A1621-L1625 VanDerWaalsContact O-N 3.13Å
1622V91Very high89.6Confident10.4 Ų10.437 Ų376%0.06319%0.187CC..Hα-helixtrans-65.6-44.9172.9168.70000111.3L1590 K1591 I1594 A1618 V1619 H1620 V1624 L1625 D1626L1590-V1622 HydrophobicContact CB-CG2 3.7Å; L1590-V1622 HydrophobicContact CD1-CG2 4.4Å; K1591-V1622 HydrophobicContact CG-CG1 4.45Å; K1591-V1622 HydrophobicContact CG-CG2 4.33Å; I1594-V1622 HydrophobicContact CD1-CB 4.45Å; I1594-V1622 HydrophobicContact CD1-CG2 3.62Å; A1618-V1622 WeakPolarHBondContact O-CG2 3.36Å; A1618-V1622 PolarHBondContact O-N 3.12Å; V1619-V1622 WeakPolarHBondContact O-CB 3.32Å; V1619-V1622 PolarHBondContact O-N 3.06Å; V1619-V1622 VanDerWaalsContact O-N 3.12Å; H1620-V1622 VanDerWaalsContact C-N 3.26Å; H1620-V1622 PolarHBondContact O-N 3.06Å; V1622-V1624 VanDerWaalsContact C-N 3.3Å; V1622-V1624 PolarHBondContact O-N 3.04Å; V1622-L1625 CarbonylContact O-C 3.54Å; V1622-L1625 WeakPolarHBondContact O-CA 3.42Å; V1622-L1625 WeakPolarHBondContact O-CB 3.43Å; V1622-L1625 PolarHBondContact O-N 3.03Å; V1622-L1625 VanDerWaalsContact O-N 3.07Å; V1622-D1626 PolarHBondContact O-N 3.02Å
1623V90.4Very high89.4Confident65 Ų6535.6 Ų35.639%0.39418%0.182SC..Hα-helixtrans-59.2-42.1176.9175.60000111.4V1619 H1620 L1625 D1626 D1627V1619-V1623 WeakPolarHBondContact O-CG2 3.43Å; V1619-V1623 PolarHBondContact O-N 3.11Å; V1619-V1623 VanDerWaalsContact O-N 3.09Å; H1620-V1623 WeakPolarHBondContact O-CB 3.28Å; H1620-V1623 PolarHBondContact O-N 3.19Å; H1620-V1623 VanDerWaalsContact O-N 3.11Å; V1623-L1625 VanDerWaalsContact C-N 3.29Å; V1623-L1625 PolarHBondContact O-N 3.17Å; V1623-D1626 PolarHBondContact O-N 2.97Å; V1623-D1626 VanDerWaalsContact O-N 3.16Å; V1623-D1627 PolarHBondContact O-N 3.12Å; V1623-D1627 VanDerWaalsContact O-N 3.1Å
1624V91.1Very high89Confident3.8 Ų3.840.5 Ų40.52%0.02321%0.209CC..Hα-helixtrans-61.7-38.7175.2173.70000111.6F1570 H1620 A1621 V1622 L1628 W1641 Q1644F1570-V1624 HydrophobicContact CE1-CG1 4.47Å; F1570-V1624 HydrophobicContact CZ-CB 4.36Å; F1570-V1624 HydrophobicContact CZ-CG1 4.28Å; H1620-V1624 VanDerWaalsContact CE1-CG2 3.47Å; H1620-V1624 WeakPolarHBondContact CE1-CG2 3.42Å; H1620-V1624 WeakPolarHBondContact O-CG2 3.4Å; H1620-V1624 PolarHBondContact O-N 3.35Å; A1621-V1624 PolarHBondContact O-N 3.04Å; V1622-V1624 VanDerWaalsContact C-N 3.3Å; V1622-V1624 PolarHBondContact O-N 3.04Å; V1624-L1628 HydrophobicContact CG1-CD1 4.15Å; V1624-L1628 VanDerWaalsContact O-CG 3.26Å; V1624-L1628 WeakPolarHBondContact O-CG 3.4Å; V1624-L1628 PolarHBondContact O-N 3.34Å; V1624-L1628 VanDerWaalsContact O-N 3.12Å; V1624-W1641 HydrophobicContact CG1-CE3 4.26Å; V1624-W1641 HydrophobicContact CG1-CZ3 4.02Å; V1624-Q1644 HydrophobicContact CG1-CG 3.97Å; V1624-Q1644 HydrophobicContact CG2-CG 4.27Å
1625L92Very high88.8Confident0 Ų042.9 Ų42.90%023%0.226CC..Hα-helixtrans-70.2-38175.8-69.5177.4000112.4F1570 L1583 L1586 H1587 L1590 A1621 V1622 V1623 D1627 L1628 I1629F1570-L1625 HydrophobicContact CE2-CD1 4.2Å; F1570-L1625 HydrophobicContact CE2-CD2 4.3Å; F1570-L1625 HydrophobicContact CE2-CG 4.08Å; F1570-L1625 HydrophobicContact CZ-CD2 4.4Å; F1570-L1625 HydrophobicContact CZ-CG 4.31Å; L1583-L1625 HydrophobicContact CD2-CD2 3.95Å; L1586-L1625 HydrophobicContact CB-CD1 4.36Å; L1586-L1625 HydrophobicContact CD2-CD1 4.11Å; L1586-L1625 HydrophobicContact CD2-CD2 4.08Å; L1586-L1625 HydrophobicContact CG-CD1 3.91Å; H1587-L1625 HydrophobicContact CB-CB 4.41Å; H1587-L1625 HydrophobicContact CB-CD1 3.98Å; L1590-L1625 HydrophobicContact CD1-CD1 3.58Å; A1621-L1625 WeakPolarHBondContact O-CG 3.36Å; A1621-L1625 PolarHBondContact O-N 3.26Å; A1621-L1625 VanDerWaalsContact O-N 3.13Å; V1622-L1625 CarbonylContact O-C 3.54Å; V1622-L1625 WeakPolarHBondContact O-CA 3.42Å; V1622-L1625 WeakPolarHBondContact O-CB 3.43Å; V1622-L1625 PolarHBondContact O-N 3.03Å; V1622-L1625 VanDerWaalsContact O-N 3.07Å; V1623-L1625 VanDerWaalsContact C-N 3.29Å; V1623-L1625 PolarHBondContact O-N 3.17Å; L1625-D1627 VanDerWaalsContact C-N 3.34Å; L1625-D1627 PolarHBondContact O-N 3.47Å; L1625-L1628 HydrophobicContact CD2-CD1 4.4Å; L1625-L1628 PolarHBondContact O-N 3.17Å; L1625-I1629 WeakPolarHBondContact O-CB 3.35Å; L1625-I1629 WeakPolarHBondContact O-CD1 3.31Å; L1625-I1629 WeakPolarHBondContact O-CG1 3.29Å; L1625-I1629 PolarHBondContact O-N 3.21Å
1626D91.3Very high88.7Confident65.6 Ų65.645.2 Ų45.235%0.35124%0.24SC..Hα-helixtrans-59.3-47.3175.4-71.9-26.5000110H1587 V1622 V1623 L1628 I1629 E1630H1587-D1626 IonicContact CD2-OD1 3.16Å; H1587-D1626 PolarHBondContact CD2-OD1 3.29Å; H1587-D1626 VanDerWaalsContact CD2-OD1 3.27Å; H1587-D1626 IonicContact NE2-OD1 3.54Å; H1587-D1626 PolarHBondContact NE2-OD1 3.17Å; H1587-D1626 VanDerWaalsContact NE2-OD1 3.11Å; V1622-D1626 PolarHBondContact O-N 3.02Å; V1623-D1626 PolarHBondContact O-N 2.97Å; V1623-D1626 VanDerWaalsContact O-N 3.16Å; D1626-L1628 VanDerWaalsContact C-N 3.34Å; D1626-L1628 PolarHBondContact O-N 3.19Å; D1626-I1629 PolarHBondContact O-N 2.96Å; D1626-E1630 VanDerWaalsContact O-CB 3.32Å; D1626-E1630 WeakPolarHBondContact O-CB 3.38Å; D1626-E1630 PolarHBondContact O-N 3.23Å
1627D89.2Confident88.5Confident40.6 Ų40.646.5 Ų46.522%0.21726%0.258CS..Hα-helixtrans-57.1-43.8174.2-103.119.3000112.4V1623 L1625 H1631 K1643V1623-D1627 PolarHBondContact O-N 3.12Å; V1623-D1627 VanDerWaalsContact O-N 3.1Å; L1625-D1627 VanDerWaalsContact C-N 3.34Å; L1625-D1627 PolarHBondContact O-N 3.47Å; D1627-H1631 PolarHBondContact O-N 3.13Å; D1627-H1631 PolarHBondContact O-ND1 3.04Å; D1627-H1631 IonicContact OD1-CE1 2.92Å; D1627-H1631 PolarHBondContact OD1-CE1 3.31Å; D1627-H1631 IonicContact OD1-ND1 3.3Å; D1627-H1631 PolarHBondContact OD1-ND1 2.9Å; D1627-K1643 IonicContact OD1-NZ 3.13Å; D1627-K1643 WeakPolarHBondContact OD2-CE 3.39Å; D1627-K1643 IonicContact OD2-NZ 2.83Å; D1627-K1643 PolarHBondContact OD2-NZ 3.18Å
1628L90.8Very high88.5Confident0.4 Ų0.446.5 Ų46.50%0.00226%0.26CS..Hα-helixtrans-70.2-35.7180-71.6170.3000112.9L1578 L1583 V1624 L1625 D1626 E1632 S1633 W1641L1578-L1628 HydrophobicContact CD2-CD1 4.47Å; L1578-L1628 HydrophobicContact CD2-CD2 4.43Å; L1583-L1628 HydrophobicContact CD1-CB 4.27Å; V1624-L1628 HydrophobicContact CG1-CD1 4.15Å; V1624-L1628 VanDerWaalsContact O-CG 3.26Å; V1624-L1628 WeakPolarHBondContact O-CG 3.4Å; V1624-L1628 PolarHBondContact O-N 3.34Å; V1624-L1628 VanDerWaalsContact O-N 3.12Å; L1625-L1628 HydrophobicContact CD2-CD1 4.4Å; L1625-L1628 PolarHBondContact O-N 3.17Å; D1626-L1628 VanDerWaalsContact C-N 3.34Å; D1626-L1628 PolarHBondContact O-N 3.19Å; L1628-E1632 PolarHBondContact O-N 3.02Å; L1628-S1633 PolarHBondContact O-N 3.02Å; L1628-S1633 VanDerWaalsContact O-N 3.12Å; L1628-W1641 HydrophobicContact CD1-CE3 3.99Å; L1628-W1641 HydrophobicContact CD1-CZ3 4.48Å; L1628-W1641 HydrophobicContact CD2-CB 4.13Å
1629I90.7Very high88.6Confident44.2 Ų44.252.6 Ų52.623%0.22728%0.281CS..Hα-helixtrans-72.8-43.6178.6-70.1165.2000110.2L1583 R1584 H1587 L1625 D1626 H1631 E1632L1583-I1629 HydrophobicContact CB-CD1 4.26Å; L1583-I1629 HydrophobicContact CB-CG1 3.89Å; L1583-I1629 HydrophobicContact CD1-CG1 4.28Å; R1584-I1629 HydrophobicContact CG-CD1 4.33Å; H1587-I1629 HydrophobicContact CB-CD1 4.13Å; L1625-I1629 WeakPolarHBondContact O-CB 3.35Å; L1625-I1629 WeakPolarHBondContact O-CD1 3.31Å; L1625-I1629 WeakPolarHBondContact O-CG1 3.29Å; L1625-I1629 PolarHBondContact O-N 3.21Å; D1626-I1629 PolarHBondContact O-N 2.96Å; I1629-H1631 VanDerWaalsContact C-N 3.27Å; I1629-H1631 PolarHBondContact O-N 3.06Å; I1629-E1632 PolarHBondContact O-N 3.21Å
1630E90.8Very high88.5Confident147.8 Ų147.855.4 Ų55.469%0.69129%0.291SS*.Hα-helixtrans-60.3-38.3178.4-175177.2-173.500111.8D1626 E1632D1626-E1630 VanDerWaalsContact O-CB 3.32Å; D1626-E1630 WeakPolarHBondContact O-CB 3.38Å; D1626-E1630 PolarHBondContact O-N 3.23Å; E1630-E1632 VanDerWaalsContact C-N 3.34Å
1631H87.7Confident88.6Confident78.6 Ų78.654 Ų5436%0.36428%0.284SS..THydrogen-bonded Turntrans-94.813.5-179.5-62.988000114.2D1627 I1629 S1633 Y1640D1627-H1631 PolarHBondContact O-N 3.13Å; D1627-H1631 PolarHBondContact O-ND1 3.04Å; D1627-H1631 IonicContact OD1-CE1 2.92Å; D1627-H1631 PolarHBondContact OD1-CE1 3.31Å; D1627-H1631 IonicContact OD1-ND1 3.3Å; D1627-H1631 PolarHBondContact OD1-ND1 2.9Å; I1629-H1631 VanDerWaalsContact C-N 3.27Å; I1629-H1631 PolarHBondContact O-N 3.06Å; H1631-S1633 PolarHBondContact O-N 3.23Å; H1631-S1633 VanDerWaalsContact O-N 3.07Å; H1631-Y1640 HydrophobicContact CB-CD1 4.45Å; H1631-Y1640 HydrophobicContact CB-CD2 3.79Å; H1631-Y1640 HydrophobicContact CB-CE1 4.35Å; H1631-Y1640 HydrophobicContact CB-CE2 3.63Å; H1631-Y1640 HydrophobicContact CB-CG 4.35Å; H1631-Y1640 AromaticContact CD2-CE1 3.72Å; H1631-Y1640 AromaticContact CD2-CE2 3.58Å; H1631-Y1640 VanDerWaalsContact CD2-CE2 3.45Å; H1631-Y1640 WeakPolarHBondContact CD2-CE2 3.34Å; H1631-Y1640 AromaticContact CD2-CZ 3.16Å; H1631-Y1640 PolarHBondContact CD2-OH 3.34Å; H1631-Y1640 AromaticContact CE1-CE1 3.63Å; H1631-Y1640 VanDerWaalsContact CE1-CE1 3.45Å; H1631-Y1640 WeakPolarHBondContact CE1-CE1 3.27Å; H1631-Y1640 AromaticContact CE1-CZ 3.9Å; H1631-Y1640 AromaticContact CG-CD1 3.99Å; H1631-Y1640 AromaticContact CG-CD2 3.98Å; H1631-Y1640 AromaticContact CG-CE1 3.74Å; H1631-Y1640 AromaticContact CG-CE2 3.55Å; H1631-Y1640 AromaticContact CG-CZ 3.43Å; H1631-Y1640 VanDerWaalsContact CG-CZ 3.47Å; H1631-Y1640 AromaticContact ND1-CD1 3.76Å; H1631-Y1640 AromaticContact ND1-CE1 3.69Å; H1631-Y1640 WeakPolarHBondContact ND1-CE1 3.31Å; H1631-Y1640 AromaticContact ND1-CZ 3.88Å; H1631-Y1640 AromaticContact NE2-CE1 3.61Å; H1631-Y1640 WeakPolarHBondContact NE2-CE1 3.36Å; H1631-Y1640 AromaticContact NE2-CZ 3.45Å; H1631-Y1640 PolarHBondContact NE2-OH 3.08Å; H1631-Y1640 VanDerWaalsContact NE2-OH 3.16Å
1632E84Confident88.6Confident163.8 Ų163.856.1 Ų56.177%0.76529%0.293SS*.THydrogen-bonded Turntrans43.844.8178.2-60-168.7156.900114L1628 I1629 E1630 D1634L1628-E1632 PolarHBondContact O-N 3.02Å; I1629-E1632 PolarHBondContact O-N 3.21Å; E1630-E1632 VanDerWaalsContact C-N 3.34Å; E1632-D1634 PolarHBondContact O-N 3.14Å
1633S81.6Confident88.7Confident11.4 Ų11.457.8 Ų57.88%0.0830%0.299CS..  trans-68.1119.3-174.3-70.10000112.1L1578 L1628 H1631 C1638L1578-S1633 VanDerWaalsContact CD2-O 3.29Å; L1578-S1633 WeakPolarHBondContact CD2-O 3.43Å; L1628-S1633 PolarHBondContact O-N 3.02Å; L1628-S1633 VanDerWaalsContact O-N 3.12Å; H1631-S1633 PolarHBondContact O-N 3.23Å; H1631-S1633 VanDerWaalsContact O-N 3.07Å; S1633-C1638 VanDerWaalsContact CB-SG 3.55Å; S1633-C1638 PolarHBondContact OG-SG 3.13Å; S1633-C1638 VanDerWaalsContact OG-SG 3.36Å
1634D79.6Confident88.8Confident107.6 Ų107.655.3 Ų55.358%0.57528%0.283SS*.  trans-103.8-13.4-17428.3-11.3000114.7K1581 E1632K1581-D1634 VanDerWaalsContact CE-OD1 3.3Å; K1581-D1634 WeakPolarHBondContact CE-OD1 3.38Å; K1581-D1634 IonicContact NZ-OD1 2.79Å; K1581-D1634 PolarHBondContact NZ-OD1 2.92Å; K1581-D1634 IonicContact NZ-OD2 3.54Å; K1581-D1634 PolarHBondContact NZ-OD2 3.09Å; E1632-D1634 PolarHBondContact O-N 3.14Å
1635S84.9Confident88.8Confident58.4 Ų58.456.4 Ų56.441%0.40829%0.289SS..  trans-128.7147.9-173.9106.60000112.4G1637 C1638S1635-G1637 PolarHBondContact O-N 2.97Å; S1635-G1637 PolarHBondContact OG-N 3.14Å; S1635-G1637 VanDerWaalsContact OG-N 3.11Å; S1635-C1638 VanDerWaalsContact O-CB 3.29Å; S1635-C1638 WeakPolarHBondContact O-CB 3.31Å; S1635-C1638 PolarHBondContact O-N 3.07Å; S1635-C1638 VanDerWaalsContact O-N 3.12Å; S1635-C1638 PolarHBondContact O-SG 3.11Å; S1635-C1638 VanDerWaalsContact O-SG 3.36Å; S1635-C1638 PolarHBondContact OG-N 2.88Å
1636T86.4Confident88.9Confident49.6 Ų49.657 Ų5730%0.30429%0.291SS..THydrogen-bonded Turntrans-65.8-16.1171.157.70000112.4E1575 L1578 C1638 Q1642E1575-T1636 HydrophobicContact CB-CG2 4.14Å; E1575-T1636 HydrophobicContact CG-CG2 4.04Å; L1578-T1636 HydrophobicContact CD1-CG2 4.41Å; T1636-C1638 VanDerWaalsContact C-N 3.3Å; T1636-Q1642 PolarHBondContact O-NE2 3.22Å
1637G85.9Confident89.1Confident48.6 Ų48.654.1 Ų54.150%0.50128%0.275SS..THydrogen-bonded Turntrans-80.4-4.5173.200000114.3S1635 W1639 Q1642S1635-G1637 PolarHBondContact O-N 2.97Å; S1635-G1637 PolarHBondContact OG-N 3.14Å; S1635-G1637 VanDerWaalsContact OG-N 3.11Å; G1637-W1639 PolarHBondContact O-N 3.28Å; G1637-Q1642 PolarHBondContact O-NE2 3.34Å
1638C88.9Confident89.3Confident19.6 Ų19.654.1 Ų54.113%0.13227%0.273CS..  trans-62.3143.2-176.789.30000111.7S1633 S1635 T1636 Y1640 W1641 Q1642S1633-C1638 VanDerWaalsContact CB-SG 3.55Å; S1633-C1638 PolarHBondContact OG-SG 3.13Å; S1633-C1638 VanDerWaalsContact OG-SG 3.36Å; S1635-C1638 VanDerWaalsContact O-CB 3.29Å; S1635-C1638 WeakPolarHBondContact O-CB 3.31Å; S1635-C1638 PolarHBondContact O-N 3.07Å; S1635-C1638 VanDerWaalsContact O-N 3.12Å; S1635-C1638 PolarHBondContact O-SG 3.11Å; S1635-C1638 VanDerWaalsContact O-SG 3.36Å; S1635-C1638 PolarHBondContact OG-N 2.88Å; T1636-C1638 VanDerWaalsContact C-N 3.3Å; C1638-Y1640 VanDerWaalsContact C-N 3.27Å; C1638-Y1640 PolarHBondContact O-N 3.27Å; C1638-W1641 PolarHBondContact O-N 3.19Å; C1638-W1641 VanDerWaalsContact O-N 3.11Å; C1638-W1641 WeakPolarHBondContact SG-CB 3.37Å; C1638-W1641 PolarHBondContact SG-N 3.17Å; C1638-W1641 VanDerWaalsContact SG-N 3.42Å; C1638-Q1642 WeakPolarHBondContact O-CB 3.28Å; C1638-Q1642 VanDerWaalsContact O-CG 3.25Å; C1638-Q1642 WeakPolarHBondContact O-CG 3.29Å; C1638-Q1642 PolarHBondContact O-N 3.22Å
1639W91.1Very high89.3Confident138.6 Ų138.657.2 Ų57.253%0.52529%0.291SS..Hα-helixtrans-54.5-43178.6169.4-113000112.3G1637 W1641 Q1642 K1643 L1660 L1688G1637-W1639 PolarHBondContact O-N 3.28Å; W1639-W1641 VanDerWaalsContact C-N 3.27Å; W1639-W1641 PolarHBondContact O-N 3.23Å; W1639-Q1642 PolarHBondContact O-N 3.2Å; W1639-K1643 HydrophobicContact CD2-CB 4.46Å; W1639-K1643 HydrophobicContact CH2-CB 4.45Å; W1639-K1643 HydrophobicContact CH2-CD 3.76Å; W1639-K1643 HydrophobicContact CZ2-CB 4.21Å; W1639-K1643 HydrophobicContact CZ2-CD 4.17Å; W1639-K1643 HydrophobicContact CZ3-CD 3.99Å; W1639-K1643 WeakPolarHBondContact O-CB 3.37Å; W1639-K1643 WeakPolarHBondContact O-CG 3.26Å; W1639-K1643 PolarHBondContact O-N 3.02Å; W1639-L1660 HydrophobicContact CE3-CD2 3.89Å; W1639-L1660 HydrophobicContact CH2-CD1 4.29Å; W1639-L1660 HydrophobicContact CH2-CD2 4.32Å; W1639-L1660 HydrophobicContact CZ3-CD1 3.98Å; W1639-L1660 HydrophobicContact CZ3-CD2 3.45Å; W1639-L1660 VanDerWaalsContact CZ3-CD2 3.44Å; W1639-L1660 HydrophobicContact CZ3-CG 4.34Å; W1639-L1688 HydrophobicContact CH2-CD2 4.21Å; W1639-L1688 HydrophobicContact CZ2-CD2 4.5Å
1640Y89.6Confident89.1Confident71 Ų7159.4 Ų59.428%0.27830%0.301SS..Hα-helixtrans-63.4-29.7-177.7-62.9-79.5000113.4H1631 C1638 K1643 Q1644H1631-Y1640 HydrophobicContact CB-CD1 4.45Å; H1631-Y1640 HydrophobicContact CB-CD2 3.79Å; H1631-Y1640 HydrophobicContact CB-CE1 4.35Å; H1631-Y1640 HydrophobicContact CB-CE2 3.63Å; H1631-Y1640 HydrophobicContact CB-CG 4.35Å; H1631-Y1640 AromaticContact CD2-CE1 3.72Å; H1631-Y1640 AromaticContact CD2-CE2 3.58Å; H1631-Y1640 VanDerWaalsContact CD2-CE2 3.45Å; H1631-Y1640 WeakPolarHBondContact CD2-CE2 3.34Å; H1631-Y1640 AromaticContact CD2-CZ 3.16Å; H1631-Y1640 PolarHBondContact CD2-OH 3.34Å; H1631-Y1640 AromaticContact CE1-CE1 3.63Å; H1631-Y1640 VanDerWaalsContact CE1-CE1 3.45Å; H1631-Y1640 WeakPolarHBondContact CE1-CE1 3.27Å; H1631-Y1640 AromaticContact CE1-CZ 3.9Å; H1631-Y1640 AromaticContact CG-CD1 3.99Å; H1631-Y1640 AromaticContact CG-CD2 3.98Å; H1631-Y1640 AromaticContact CG-CE1 3.74Å; H1631-Y1640 AromaticContact CG-CE2 3.55Å; H1631-Y1640 AromaticContact CG-CZ 3.43Å; H1631-Y1640 VanDerWaalsContact CG-CZ 3.47Å; H1631-Y1640 AromaticContact ND1-CD1 3.76Å; H1631-Y1640 AromaticContact ND1-CE1 3.69Å; H1631-Y1640 WeakPolarHBondContact ND1-CE1 3.31Å; H1631-Y1640 AromaticContact ND1-CZ 3.88Å; H1631-Y1640 AromaticContact NE2-CE1 3.61Å; H1631-Y1640 WeakPolarHBondContact NE2-CE1 3.36Å; H1631-Y1640 AromaticContact NE2-CZ 3.45Å; H1631-Y1640 PolarHBondContact NE2-OH 3.08Å; H1631-Y1640 VanDerWaalsContact NE2-OH 3.16Å; C1638-Y1640 VanDerWaalsContact C-N 3.27Å; C1638-Y1640 PolarHBondContact O-N 3.27Å; Y1640-K1643 WeakPolarHBondContact O-CE 3.3Å; Y1640-K1643 WeakPolarHBondContact O-CG 3.37Å; Y1640-Q1644 WeakPolarHBondContact O-CG 3.33Å
1641W92.8Very high88.3Confident2.6 Ų2.658.1 Ų58.11%0.0132%0.315CS..Hα-helixtrans-84.1-43.9171.7-175.7-123.7000112.1F1570 C1571 C1574 E1575 L1578 V1624 L1628 C1638 W1639 K1643 Q1644 R1646F1570-W1641 HydrophobicContact CE1-CH2 4.17Å; F1570-W1641 HydrophobicContact CE1-CZ3 4.11Å; F1570-W1641 HydrophobicContact CZ-CZ3 4.42Å; C1571-W1641 HydrophobicContact CB-CH2 4.44Å; C1571-W1641 HydrophobicContact CB-CZ2 4.33Å; C1574-W1641 HydrophobicContact CB-CH2 3.68Å; C1574-W1641 HydrophobicContact CB-CZ2 4.22Å; C1574-W1641 HydrophobicContact CB-CZ3 4.04Å; C1574-W1641 VanDerWaalsContact SG-CZ3 3.55Å; C1574-W1641 WeakPolarHBondContact SG-CZ3 3.34Å; E1575-W1641 HydrophobicContact CG-CZ2 3.9Å; E1575-W1641 PolarHBondContact OE1-NE1 3.22Å; E1575-W1641 VanDerWaalsContact OE1-NE1 3.1Å; L1578-W1641 HydrophobicContact CD1-CB 4.48Å; L1578-W1641 HydrophobicContact CD1-CD2 4.34Å; L1578-W1641 HydrophobicContact CD1-CG 4.14Å; V1624-W1641 HydrophobicContact CG1-CE3 4.26Å; V1624-W1641 HydrophobicContact CG1-CZ3 4.02Å; L1628-W1641 HydrophobicContact CD1-CE3 3.99Å; L1628-W1641 HydrophobicContact CD1-CZ3 4.48Å; L1628-W1641 HydrophobicContact CD2-CB 4.13Å; C1638-W1641 PolarHBondContact O-N 3.19Å; C1638-W1641 VanDerWaalsContact O-N 3.11Å; C1638-W1641 WeakPolarHBondContact SG-CB 3.37Å; C1638-W1641 PolarHBondContact SG-N 3.17Å; C1638-W1641 VanDerWaalsContact SG-N 3.42Å; W1639-W1641 VanDerWaalsContact C-N 3.27Å; W1639-W1641 PolarHBondContact O-N 3.23Å; W1641-K1643 VanDerWaalsContact C-N 3.28Å; W1641-K1643 PolarHBondContact O-N 3.3Å; W1641-Q1644 HydrophobicContact CE3-CG 4.5Å; W1641-Q1644 WeakPolarHBondContact O-CB 3.34Å; W1641-Q1644 PolarHBondContact O-N 3.17Å; W1641-Q1644 VanDerWaalsContact O-N 3.12Å; W1641-R1646 HydrophobicContact CD2-CG 4.44Å; W1641-R1646 HydrophobicContact CH2-CG 4.35Å; W1641-R1646 HydrophobicContact CZ2-CG 3.94Å
1642Q91.7Very high87.4Confident50.8 Ų50.858 Ų5824%0.23733%0.328CS..Hα-helixtrans-66.2-29-176.9-67.1-91.1-21.500113T1636 G1637 C1638 W1639 Q1644 R1646 L1660T1636-Q1642 PolarHBondContact O-NE2 3.22Å; G1637-Q1642 PolarHBondContact O-NE2 3.34Å; C1638-Q1642 WeakPolarHBondContact O-CB 3.28Å; C1638-Q1642 VanDerWaalsContact O-CG 3.25Å; C1638-Q1642 WeakPolarHBondContact O-CG 3.29Å; C1638-Q1642 PolarHBondContact O-N 3.22Å; W1639-Q1642 PolarHBondContact O-N 3.2Å; Q1642-Q1644 PolarHBondContact O-N 3.12Å; Q1642-R1646 VanDerWaalsContact OE1-CZ 3.24Å; Q1642-R1646 VanDerWaalsContact OE1-NH1 3.09Å; Q1642-L1660 HydrophobicContact CB-CD2 3.98Å; Q1642-L1660 WeakPolarHBondContact O-CA 3.32Å; Q1642-L1660 PolarHBondContact O-N 3.12Å
1643K91.8Very high87Confident46.4 Ų46.450.6 Ų50.620%0.20230%0.296CS..THydrogen-bonded Turntrans-64.4-24.8174.388.4-178.7-178.2-179.70112.7D1627 W1639 Y1640 W1641 Q1659D1627-K1643 IonicContact OD1-NZ 3.13Å; D1627-K1643 WeakPolarHBondContact OD2-CE 3.39Å; D1627-K1643 IonicContact OD2-NZ 2.83Å; D1627-K1643 PolarHBondContact OD2-NZ 3.18Å; W1639-K1643 HydrophobicContact CD2-CB 4.46Å; W1639-K1643 HydrophobicContact CH2-CB 4.45Å; W1639-K1643 HydrophobicContact CH2-CD 3.76Å; W1639-K1643 HydrophobicContact CZ2-CB 4.21Å; W1639-K1643 HydrophobicContact CZ2-CD 4.17Å; W1639-K1643 HydrophobicContact CZ3-CD 3.99Å; W1639-K1643 WeakPolarHBondContact O-CB 3.37Å; W1639-K1643 WeakPolarHBondContact O-CG 3.26Å; W1639-K1643 PolarHBondContact O-N 3.02Å; Y1640-K1643 WeakPolarHBondContact O-CE 3.3Å; Y1640-K1643 WeakPolarHBondContact O-CG 3.37Å; W1641-K1643 VanDerWaalsContact C-N 3.28Å; W1641-K1643 PolarHBondContact O-N 3.3Å; K1643-Q1659 WeakPolarHBondContact O-CG 3.4Å; K1643-Q1659 PolarHBondContact O-NE2 3.1Å
1644Q92.3Very high87.1Confident12.4 Ų12.452.4 Ų52.46%0.05831%0.305CS..SBendtrans-80.4154.1-176.7-56.8-61.6-11.300112.2V1624 Y1640 W1641 Q1642 R1646V1624-Q1644 HydrophobicContact CG1-CG 3.97Å; V1624-Q1644 HydrophobicContact CG2-CG 4.27Å; Y1640-Q1644 WeakPolarHBondContact O-CG 3.33Å; W1641-Q1644 HydrophobicContact CE3-CG 4.5Å; W1641-Q1644 WeakPolarHBondContact O-CB 3.34Å; W1641-Q1644 PolarHBondContact O-N 3.17Å; W1641-Q1644 VanDerWaalsContact O-N 3.12Å; Q1642-Q1644 PolarHBondContact O-N 3.12Å; Q1644-R1646 PolarHBondContact O-N 3.17Å
1645L92.7Very high87.7Confident26.4 Ų26.447.4 Ų47.414%0.13828%0.278CS..  trans-75.5113.4171.9-95.2149.7000109.8F1647 I1657 Q1659 F1687 T1691 L1717 L1720L1645-F1647 HydrophobicContact CB-CE2 4.18Å; L1645-F1647 HydrophobicContact CD2-CE2 3.98Å; L1645-F1647 HydrophobicContact CD2-CZ 3.63Å; L1645-F1647 HydrophobicContact CG-CE2 3.98Å; L1645-F1647 HydrophobicContact CG-CZ 4.03Å; L1645-F1647 WeakPolarHBondContact O-CD2 3.23Å; L1645-F1647 WeakPolarHBondContact O-CE2 3.19Å; L1645-I1657 HydrophobicContact CD1-CG2 3.3Å; L1645-I1657 HydrophobicContact CD2-CG2 3.86Å; L1645-I1657 HydrophobicContact CG-CG2 3.63Å; L1645-Q1659 HydrophobicContact CD1-CB 3.89Å; L1645-Q1659 HydrophobicContact CD2-CB 3.97Å; L1645-Q1659 HydrophobicContact CD2-CG 4.45Å; L1645-Q1659 HydrophobicContact CG-CB 4.48Å; L1645-Q1659 HydrophobicContact CG-CG 4.49Å; L1645-F1687 HydrophobicContact CD1-CB 4.21Å; L1645-F1687 HydrophobicContact CD1-CD2 3.82Å; L1645-F1687 HydrophobicContact CD1-CE2 4.44Å; L1645-F1687 HydrophobicContact CD1-CG 4.25Å; L1645-T1691 HydrophobicContact CD2-CG2 4.29Å; L1645-L1717 HydrophobicContact CD1-CD1 4.04Å; L1645-L1720 HydrophobicContact CD1-CD1 4.09Å; L1645-L1720 HydrophobicContact CD2-CB 4.15Å; L1645-L1720 HydrophobicContact CD2-CD1 3.83Å
1646R94.1Very high88.1Confident12.8 Ų12.844.9 Ų44.95%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-111.6138.6-174.7-61.6166-63.1164.6-5.2111W1641 Q1642 Q1644 Y1648 I1657 K1658 L1660W1641-R1646 HydrophobicContact CD2-CG 4.44Å; W1641-R1646 HydrophobicContact CH2-CG 4.35Å; W1641-R1646 HydrophobicContact CZ2-CG 3.94Å; Q1642-R1646 VanDerWaalsContact OE1-CZ 3.24Å; Q1642-R1646 VanDerWaalsContact OE1-NH1 3.09Å; Q1644-R1646 PolarHBondContact O-N 3.17Å; R1646-Y1648 HydrophobicContact CB-CD2 4.45Å; R1646-Y1648 HydrophobicContact CB-CE2 3.52Å; R1646-Y1648 WeakPolarHBondContact CD-OH 3.28Å; R1646-I1657 CarbonylContact O-C 3.55Å; R1646-I1657 VanDerWaalsContact O-CA 3.26Å; R1646-I1657 WeakPolarHBondContact O-CA 3.33Å; R1646-K1658 PolarHBondContact N-O 2.95Å; R1646-K1658 PolarHBondContact O-N 3.06Å; R1646-L1660 PolarHBondContact NH2-O 3Å
1647F94.9Very high88.5Confident4.6 Ų4.642.5 Ų42.52%0.0225%0.246CC..EExtended strand (participates in β ladder)trans-117.1123.1-172.4-62.7-102.9000110L1564 R1567 I1568 C1571 L1645 I1657 L1720L1564-F1647 HydrophobicContact CD1-CD1 3.69Å; L1564-F1647 HydrophobicContact CD1-CE1 4.16Å; R1567-F1647 HydrophobicContact CB-CB 4.48Å; R1567-F1647 HydrophobicContact CB-CD2 3.94Å; R1567-F1647 HydrophobicContact CB-CE2 4.37Å; R1567-F1647 HydrophobicContact CB-CG 4.21Å; R1567-F1647 HydrophobicContact CG-CD2 4.44Å; R1567-F1647 HydrophobicContact CG-CE2 4.46Å; I1568-F1647 HydrophobicContact CG1-CB 3.76Å; C1571-F1647 PolarHBondContact SG-N 3.14Å; C1571-F1647 VanDerWaalsContact SG-N 3.41Å; L1645-F1647 HydrophobicContact CB-CE2 4.18Å; L1645-F1647 HydrophobicContact CD2-CE2 3.98Å; L1645-F1647 HydrophobicContact CD2-CZ 3.63Å; L1645-F1647 HydrophobicContact CG-CE2 3.98Å; L1645-F1647 HydrophobicContact CG-CZ 4.03Å; L1645-F1647 WeakPolarHBondContact O-CD2 3.23Å; L1645-F1647 WeakPolarHBondContact O-CE2 3.19Å; F1647-I1657 HydrophobicContact CD1-CD1 3.97Å; F1647-I1657 HydrophobicContact CD1-CG1 3.65Å; F1647-I1657 HydrophobicContact CD1-CG2 4.28Å; F1647-I1657 HydrophobicContact CE1-CD1 3.6Å; F1647-I1657 VanDerWaalsContact CE1-CD1 3.41Å; F1647-I1657 HydrophobicContact CE1-CG1 3.75Å; F1647-I1657 HydrophobicContact CE1-CG2 4.28Å; F1647-I1657 HydrophobicContact CG-CG1 4.4Å; F1647-I1657 HydrophobicContact CZ-CD1 4.37Å; F1647-I1657 HydrophobicContact CZ-CG1 4.47Å; F1647-I1657 HydrophobicContact CZ-CG2 4.3Å; F1647-L1720 WeakPolarHBondContact CE1-O 3.47Å
1648Y93.4Very high88.9Confident41 Ų4144.2 Ų44.216%0.16124%0.239CC..EExtended strand (participates in β ladder)trans-127.6150.9-178-56.5-79000111E1575 R1646 V1655 V1656 K1658E1575-Y1648 WeakPolarHBondContact OE1-CE1 3.37Å; E1575-Y1648 PolarHBondContact OE1-OH 3.33Å; R1646-Y1648 HydrophobicContact CB-CD2 4.45Å; R1646-Y1648 HydrophobicContact CB-CE2 3.52Å; R1646-Y1648 WeakPolarHBondContact CD-OH 3.28Å; Y1648-V1655 CarbonylContact O-C 3.55Å; Y1648-V1655 VanDerWaalsContact O-CA 3.29Å; Y1648-V1655 WeakPolarHBondContact O-CA 3.27Å; Y1648-V1655 WeakPolarHBondContact O-CG1 3.35Å; Y1648-V1656 PolarHBondContact N-O 3.09Å; Y1648-V1656 PolarHBondContact O-N 2.99Å; Y1648-K1658 HydrophobicContact CD2-CB 4.42Å; Y1648-K1658 HydrophobicContact CD2-CD 4.01Å; Y1648-K1658 HydrophobicContact CD2-CG 4.11Å; Y1648-K1658 HydrophobicContact CE2-CB 4.11Å; Y1648-K1658 HydrophobicContact CE2-CD 3.94Å; Y1648-K1658 HydrophobicContact CE2-CG 4.16Å
1649V90.5Very high89.1Confident64.4 Ų64.443.4 Ų43.439%0.3923%0.233SC..EExtended strand (participates in β ladder)trans-104.7121.5172.3-179.20000107.8L1543 I1568 V1655L1543-V1649 HydrophobicContact CD1-CG2 3.69Å; I1568-V1649 HydrophobicContact CD1-CG2 3.77Å; I1568-V1649 HydrophobicContact CG1-CG2 4.4Å; I1568-V1649 HydrophobicContact CG2-CG2 3.91Å; V1649-V1655 HydrophobicContact CG2-CG2 4.31Å
1650E86.1Confident89.1Confident92 Ų9239.1 Ų39.143%0.4322%0.22SC..  trans-82.3163.1172-68.7-172162.100110.8A1652 G1653 D1654 V1656E1650-A1652 PolarHBondContact O-N 3.17Å; E1650-G1653 PolarHBondContact O-N 2.99Å; E1650-D1654 PolarHBondContact N-O 2.99Å; E1650-V1656 VanDerWaalsContact CD-CG2 3.41Å; E1650-V1656 HydrophobicContact CG-CB 4.4Å; E1650-V1656 HydrophobicContact CG-CG2 3.84Å; E1650-V1656 VanDerWaalsContact OE1-CG2 3.3Å; E1650-V1656 WeakPolarHBondContact OE1-CG2 3.36Å
1651A73.6Confident89.1Confident119.2 Ų119.240.7 Ų40.799%0.98523%0.234SC*.THydrogen-bonded Turntrans-56.9-22.5-173.100000114.6G1653A1651-G1653 VanDerWaalsContact C-N 3.26Å; A1651-G1653 PolarHBondContact O-N 3Å
1652A69.4Low89.1Confident76.4 Ų76.440.6 Ų40.663%0.63123%0.234SC*.THydrogen-bonded Turntrans-82.90.117700000114.3K1536 E1650 D1654K1536-A1652 PolarHBondContact NZ-O 3.36Å; E1650-A1652 PolarHBondContact O-N 3.17Å; A1652-D1654 PolarHBondContact O-N 3.27Å
1653G75.3Confident89.1Confident9.8 Ų9.841.4 Ų41.410%0.10125%0.245CC..SBendtrans78.15-171.900000114K1536 E1650 A1651K1536-G1653 VanDerWaalsContact CE-O 3.29Å; K1536-G1653 WeakPolarHBondContact CE-O 3.32Å; E1650-G1653 PolarHBondContact O-N 2.99Å; A1651-G1653 VanDerWaalsContact C-N 3.26Å; A1651-G1653 PolarHBondContact O-N 3Å
1654D85Confident89.1Confident48.8 Ų48.840.3 Ų40.326%0.26124%0.24SC..  trans-74144.1169.5-74.1-30.2000110.2K1536 E1650 A1652K1536-D1654 WeakPolarHBondContact CE-OD1 3.2Å; K1536-D1654 IonicContact NZ-OD1 3.19Å; K1536-D1654 PolarHBondContact NZ-OD1 2.85Å; E1650-D1654 PolarHBondContact N-O 2.99Å; A1652-D1654 PolarHBondContact O-N 3.27Å
1655V91.6Very high89Confident1.4 Ų1.446 Ų461%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-102128.6177.6175.60000109L1539 L1564 I1568 Y1648 V1649 I1657 Y1666 F1668L1539-V1655 HydrophobicContact CD2-CG2 3.4Å; L1539-V1655 VanDerWaalsContact CD2-CG2 3.45Å; L1564-V1655 HydrophobicContact CD1-CG1 4.32Å; I1568-V1655 HydrophobicContact CD1-CG1 4.43Å; I1568-V1655 HydrophobicContact CD1-CG2 4.21Å; Y1648-V1655 CarbonylContact O-C 3.55Å; Y1648-V1655 VanDerWaalsContact O-CA 3.29Å; Y1648-V1655 WeakPolarHBondContact O-CA 3.27Å; Y1648-V1655 WeakPolarHBondContact O-CG1 3.35Å; V1649-V1655 HydrophobicContact CG2-CG2 4.31Å; V1655-I1657 HydrophobicContact CG1-CG1 4.43Å; V1655-Y1666 HydrophobicContact CB-CG 4.39Å; V1655-Y1666 HydrophobicContact CG1-CG 4.42Å; V1655-Y1666 WeakPolarHBondContact O-CB 3.3Å; V1655-Y1666 PolarHBondContact O-N 3.23Å; V1655-F1668 HydrophobicContact CB-CE2 4.45Å; V1655-F1668 HydrophobicContact CB-CZ 4.22Å; V1655-F1668 HydrophobicContact CG2-CE2 4.47Å; V1655-F1668 HydrophobicContact CG2-CZ 3.83Å
1656V93.2Very high89Confident5.6 Ų5.645.5 Ų45.53%0.03426%0.261CS..EExtended strand (participates in β ladder)trans-114.9132.4175.8176.20000109.6Y1648 E1650 K1658 S1663 F1664 K1665Y1648-V1656 PolarHBondContact N-O 3.09Å; Y1648-V1656 PolarHBondContact O-N 2.99Å; E1650-V1656 VanDerWaalsContact CD-CG2 3.41Å; E1650-V1656 HydrophobicContact CG-CB 4.4Å; E1650-V1656 HydrophobicContact CG-CG2 3.84Å; E1650-V1656 VanDerWaalsContact OE1-CG2 3.3Å; E1650-V1656 WeakPolarHBondContact OE1-CG2 3.36Å; V1656-K1658 HydrophobicContact CG1-CG 4.06Å; V1656-S1663 WeakPolarHBondContact CG1-OG 3.43Å; V1656-F1664 WeakPolarHBondContact CA-O 3.25Å; V1656-K1665 HydrophobicContact CG2-CG 4.41Å
1657I94.4Very high88.7Confident0.6 Ų0.645.9 Ų45.90%0.00327%0.269CS..EExtended strand (participates in β ladder)trans-107.5125.7179.8-57168.9000107.5L1645 R1646 F1647 V1655 S1663 F1664 Y1666 L1720 L1721L1645-I1657 HydrophobicContact CD1-CG2 3.3Å; L1645-I1657 HydrophobicContact CD2-CG2 3.86Å; L1645-I1657 HydrophobicContact CG-CG2 3.63Å; R1646-I1657 CarbonylContact O-C 3.55Å; R1646-I1657 VanDerWaalsContact O-CA 3.26Å; R1646-I1657 WeakPolarHBondContact O-CA 3.33Å; F1647-I1657 HydrophobicContact CD1-CD1 3.97Å; F1647-I1657 HydrophobicContact CD1-CG1 3.65Å; F1647-I1657 HydrophobicContact CD1-CG2 4.28Å; F1647-I1657 HydrophobicContact CE1-CD1 3.6Å; F1647-I1657 VanDerWaalsContact CE1-CD1 3.41Å; F1647-I1657 HydrophobicContact CE1-CG1 3.75Å; F1647-I1657 HydrophobicContact CE1-CG2 4.28Å; F1647-I1657 HydrophobicContact CG-CG1 4.4Å; F1647-I1657 HydrophobicContact CZ-CD1 4.37Å; F1647-I1657 HydrophobicContact CZ-CG1 4.47Å; F1647-I1657 HydrophobicContact CZ-CG2 4.3Å; V1655-I1657 HydrophobicContact CG1-CG1 4.43Å; I1657-S1663 CarbonylContact O-C 3.57Å; I1657-S1663 WeakPolarHBondContact O-CA 3.35Å; I1657-F1664 PolarHBondContact N-O 3.03Å; I1657-F1664 PolarHBondContact O-N 3.07Å; I1657-Y1666 HydrophobicContact CD1-CD2 3.67Å; I1657-Y1666 HydrophobicContact CD1-CE2 4.42Å; I1657-Y1666 HydrophobicContact CD1-CG 4.39Å; I1657-Y1666 HydrophobicContact CG1-CD2 4.43Å; I1657-L1720 WeakPolarHBondContact CD1-O 3.36Å; I1657-L1721 HydrophobicContact CB-CD2 4.09Å; I1657-L1721 HydrophobicContact CD1-CB 4.26Å; I1657-L1721 HydrophobicContact CD1-CD2 3.59Å; I1657-L1721 HydrophobicContact CD1-CG 4.23Å; I1657-L1721 HydrophobicContact CG1-CD2 4.42Å; I1657-L1721 HydrophobicContact CG2-CD2 4.04Å
1658K94Very high88.5Confident83.2 Ų83.246 Ų4636%0.36227%0.269SS..EExtended strand (participates in β ladder)trans-120.5136.4-178.9-58.8-175.5179.9177.50110.6R1646 Y1648 V1656 A1662R1646-K1658 PolarHBondContact N-O 2.95Å; R1646-K1658 PolarHBondContact O-N 3.06Å; Y1648-K1658 HydrophobicContact CD2-CB 4.42Å; Y1648-K1658 HydrophobicContact CD2-CD 4.01Å; Y1648-K1658 HydrophobicContact CD2-CG 4.11Å; Y1648-K1658 HydrophobicContact CE2-CB 4.11Å; Y1648-K1658 HydrophobicContact CE2-CD 3.94Å; Y1648-K1658 HydrophobicContact CE2-CG 4.16Å; V1656-K1658 HydrophobicContact CG1-CG 4.06Å; K1658-A1662 VanDerWaalsContact CA-O 3.3Å; K1658-A1662 WeakPolarHBondContact CA-O 3.42Å
1659Q93.2Very high88.3Confident4 Ų445.2 Ų45.22%0.01927%0.267CS..EExtended strand (participates in β ladder)trans-141.4119170.4-170.3172.718.400108.1K1643 L1645 D1661 A1662 F1687 L1688 T1691 Q1692K1643-Q1659 WeakPolarHBondContact O-CG 3.4Å; K1643-Q1659 PolarHBondContact O-NE2 3.1Å; L1645-Q1659 HydrophobicContact CD1-CB 3.89Å; L1645-Q1659 HydrophobicContact CD2-CB 3.97Å; L1645-Q1659 HydrophobicContact CD2-CG 4.45Å; L1645-Q1659 HydrophobicContact CG-CB 4.48Å; L1645-Q1659 HydrophobicContact CG-CG 4.49Å; Q1659-D1661 PolarHBondContact O-N 3.14Å; Q1659-D1661 VanDerWaalsContact O-N 3.16Å; Q1659-A1662 PolarHBondContact N-O 3.1Å; Q1659-A1662 WeakPolarHBondContact O-CB 3.32Å; Q1659-A1662 PolarHBondContact O-N 3.06Å; Q1659-F1687 PolarHBondContact OE1-O 3.43Å; Q1659-L1688 HydrophobicContact CG-CD1 3.88Å; Q1659-T1691 HydrophobicContact CB-CG2 4.44Å; Q1659-T1691 PolarHBondContact OE1-OG1 3.06Å; Q1659-T1691 VanDerWaalsContact OE1-OG1 3.1Å; Q1659-Q1692 PolarHBondContact O-NE2 2.81Å
1660L91.9Very high88.3Confident48 Ų4842.5 Ų42.525%0.25125%0.25SC..THydrogen-bonded Turntrans47.6-118.7-162.7-62176.5000111.1W1639 Q1642 R1646 L1688W1639-L1660 HydrophobicContact CE3-CD2 3.89Å; W1639-L1660 HydrophobicContact CH2-CD1 4.29Å; W1639-L1660 HydrophobicContact CH2-CD2 4.32Å; W1639-L1660 HydrophobicContact CZ3-CD1 3.98Å; W1639-L1660 HydrophobicContact CZ3-CD2 3.45Å; W1639-L1660 VanDerWaalsContact CZ3-CD2 3.44Å; W1639-L1660 HydrophobicContact CZ3-CG 4.34Å; Q1642-L1660 HydrophobicContact CB-CD2 3.98Å; Q1642-L1660 WeakPolarHBondContact O-CA 3.32Å; Q1642-L1660 PolarHBondContact O-N 3.12Å; R1646-L1660 PolarHBondContact NH2-O 3Å; L1660-L1688 HydrophobicContact CD1-CD1 3.56Å; L1660-L1688 HydrophobicContact CD1-CG 4.44Å; L1660-L1688 HydrophobicContact CG-CD1 3.87Å
1661D89.5Confident88.2Confident105 Ų10538.5 Ų38.556%0.56123%0.232SC*.THydrogen-bonded Turntrans-93.8-7.3178.965.3-33.5000113.5Q1659 Q1692 K1695Q1659-D1661 PolarHBondContact O-N 3.14Å; Q1659-D1661 VanDerWaalsContact O-N 3.16Å; D1661-Q1692 PolarHBondContact OD1-NE2 3.26Å; D1661-Q1692 PolarHBondContact OD1-OE1 3.14Å; D1661-K1695 PolarHBondContact O-NZ 3.48Å; D1661-K1695 IonicContact OD1-NZ 2.73Å; D1661-K1695 IonicContact OD2-NZ 3.46Å; D1661-K1695 PolarHBondContact OD2-NZ 3.44Å
1662A91.7Very high88.5Confident0.8 Ų0.833.1 Ų33.11%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-81134.3176.200000110.6K1658 Q1659 F1664 K1695K1658-A1662 VanDerWaalsContact CA-O 3.3Å; K1658-A1662 WeakPolarHBondContact CA-O 3.42Å; Q1659-A1662 PolarHBondContact N-O 3.1Å; Q1659-A1662 WeakPolarHBondContact O-CB 3.32Å; Q1659-A1662 PolarHBondContact O-N 3.06Å; A1662-F1664 HydrophobicContact CB-CE2 3.74Å; A1662-F1664 HydrophobicContact CB-CZ 4.15Å; A1662-K1695 HydrophobicContact CB-CB 4.01Å; A1662-K1695 HydrophobicContact CB-CD 4.03Å; A1662-K1695 HydrophobicContact CB-CG 4.33Å
1663S92.2Very high88.6Confident67 Ų6730.5 Ų30.547%0.46916%0.163SC..EExtended strand (participates in β ladder)trans-132.9125179.6142.50000110V1656 I1657V1656-S1663 WeakPolarHBondContact CG1-OG 3.43Å; I1657-S1663 CarbonylContact O-C 3.57Å; I1657-S1663 WeakPolarHBondContact O-CA 3.35Å
1664F91.9Very high88.2Confident23.2 Ų23.233.2 Ų33.210%0.10217%0.174CC..EExtended strand (participates in β ladder)trans-125.6139.9-179-58.4-79.1000110.6V1656 I1657 A1662 T1691 M1694 L1721V1656-F1664 WeakPolarHBondContact CA-O 3.25Å; I1657-F1664 PolarHBondContact N-O 3.03Å; I1657-F1664 PolarHBondContact O-N 3.07Å; A1662-F1664 HydrophobicContact CB-CE2 3.74Å; A1662-F1664 HydrophobicContact CB-CZ 4.15Å; F1664-T1691 HydrophobicContact CE2-CG2 3.9Å; F1664-T1691 WeakPolarHBondContact CZ-O 3.39Å; F1664-M1694 HydrophobicContact CD1-CE 4.45Å; F1664-M1694 HydrophobicContact CE1-CB 4.01Å; F1664-M1694 HydrophobicContact CE1-CE 4.16Å; F1664-M1694 HydrophobicContact CE2-CE 4.17Å; F1664-M1694 HydrophobicContact CZ-CB 3.89Å; F1664-M1694 HydrophobicContact CZ-CE 3.88Å; F1664-L1721 HydrophobicContact CB-CD2 3.89Å; F1664-L1721 VanDerWaalsContact CB-CD2 3.44Å; F1664-L1721 HydrophobicContact CD2-CD2 4.32Å; F1664-L1721 HydrophobicContact CG-CD2 4.2Å
1665K91.1Very high87.5Confident132.6 Ų132.635.8 Ų35.858%0.57719%0.192SC*.EExtended strand (participates in β ladder)trans-78.2136.5169.3-64.6-174.5178.6-173.50109.7V1656 R1723V1656-K1665 HydrophobicContact CG2-CG 4.41Å; K1665-R1723 PolarHBondContact O-NH2 3.05Å
1666Y92.3Very high86.9Confident16 Ų1638.2 Ų38.26%0.06320%0.201CC..  trans-67.4132.4174-167.2-101.7000110.5Q1560 L1564 V1655 I1657 F1668 L1720 L1721 G1722Q1560-Y1666 WeakPolarHBondContact CG-OH 3.2Å; Q1560-Y1666 PolarHBondContact NE2-OH 3.04Å; L1564-Y1666 HydrophobicContact CD1-CD2 4.25Å; L1564-Y1666 HydrophobicContact CD1-CE2 4.24Å; L1564-Y1666 HydrophobicContact CD2-CD1 4.17Å; L1564-Y1666 HydrophobicContact CD2-CD2 4.36Å; L1564-Y1666 HydrophobicContact CD2-CE1 3.77Å; L1564-Y1666 HydrophobicContact CD2-CE2 4.26Å; L1564-Y1666 HydrophobicContact CD2-CG 4.47Å; V1655-Y1666 HydrophobicContact CB-CG 4.39Å; V1655-Y1666 HydrophobicContact CG1-CG 4.42Å; V1655-Y1666 WeakPolarHBondContact O-CB 3.3Å; V1655-Y1666 PolarHBondContact O-N 3.23Å; I1657-Y1666 HydrophobicContact CD1-CD2 3.67Å; I1657-Y1666 HydrophobicContact CD1-CE2 4.42Å; I1657-Y1666 HydrophobicContact CD1-CG 4.39Å; I1657-Y1666 HydrophobicContact CG1-CD2 4.43Å; Y1666-F1668 HydrophobicContact CD1-CB 4.37Å; Y1666-F1668 AromaticContact CD1-CD1 3.77Å; Y1666-F1668 HydrophobicContact CD1-CD1 3.77Å; Y1666-F1668 AromaticContact CD1-CD2 3.77Å; Y1666-F1668 HydrophobicContact CD1-CD2 3.77Å; Y1666-F1668 AromaticContact CD1-CE1 3.91Å; Y1666-F1668 HydrophobicContact CD1-CE1 3.91Å; Y1666-F1668 AromaticContact CD1-CE2 3.9Å; Y1666-F1668 HydrophobicContact CD1-CE2 3.92Å; Y1666-F1668 AromaticContact CD1-CG 3.7Å; Y1666-F1668 HydrophobicContact CD1-CG 3.7Å; Y1666-F1668 AromaticContact CD1-CZ 3.96Å; Y1666-F1668 HydrophobicContact CD1-CZ 4Å; Y1666-F1668 VanDerWaalsContact CD1-N 3.31Å; Y1666-F1668 AromaticContact CE1-CD1 3.94Å; Y1666-F1668 HydrophobicContact CE1-CD1 3.94Å; Y1666-F1668 HydrophobicContact CE1-CE1 4.27Å; Y1666-F1668 HydrophobicContact CE1-CG 4.16Å; Y1666-F1668 WeakPolarHBondContact O-CD2 3.28Å; Y1666-F1668 PolarHBondContact O-N 3.3Å; Y1666-L1720 VanDerWaalsContact CE2-O 3.29Å; Y1666-L1720 WeakPolarHBondContact CE2-O 3.28Å; Y1666-L1721 WeakPolarHBondContact CA-O 3.27Å; Y1666-L1721 VanDerWaalsContact CD2-C 3.46Å; Y1666-L1721 VanDerWaalsContact CD2-O 3.23Å; Y1666-L1721 WeakPolarHBondContact CD2-O 3.39Å; Y1666-L1721 VanDerWaalsContact CE2-C 3.4Å; Y1666-G1722 VanDerWaalsContact CE2-CA 3.44Å; Y1666-G1722 VanDerWaalsContact CE2-N 3.27Å; Y1666-G1722 VanDerWaalsContact CZ-CA 3.42Å; Y1666-G1722 WeakPolarHBondContact OH-CA 3.33Å
1667G88.4Confident86.5Confident20.4 Ų20.440.6 Ų40.621%0.2121%0.213CC..  trans-75.3-21.4-172.700000115.1K1532 E1669 L1721 G1722K1532-G1667 WeakPolarHBondContact CE-O 3.43Å; G1667-E1669 PolarHBondContact O-N 3.28Å; G1667-E1669 VanDerWaalsContact O-N 3.16Å; G1667-L1721 PolarHBondContact N-O 3.06Å; G1667-L1721 VanDerWaalsContact N-O 3.09Å; G1667-G1722 CarbonylContact C-O 3.56Å; G1667-G1722 VanDerWaalsContact CA-O 3.27Å; G1667-G1722 WeakPolarHBondContact CA-O 3.41Å
1668F90Very high86Confident6.6 Ų6.641.1 Ų41.13%0.02922%0.216CC..  trans50.829.2-170.4-68.1-82.8000113.6K1532 L1535 K1536 L1539 V1655 Y1666 G1722K1532-F1668 HydrophobicContact CB-CB 4.34Å; K1532-F1668 HydrophobicContact CG-CB 4.18Å; K1532-F1668 VanDerWaalsContact CG-O 3.31Å; K1532-F1668 WeakPolarHBondContact CG-O 3.41Å; L1535-F1668 HydrophobicContact CB-CD1 4.2Å; L1535-F1668 WeakPolarHBondContact CD1-O 3.3Å; K1536-F1668 HydrophobicContact CB-CD1 4.42Å; K1536-F1668 HydrophobicContact CB-CE1 4.34Å; K1536-F1668 HydrophobicContact CB-CZ 4.41Å; K1536-F1668 HydrophobicContact CD-CD2 4.31Å; K1536-F1668 HydrophobicContact CD-CE2 4.27Å; K1536-F1668 VanDerWaalsContact CE-CD2 3.45Å; K1536-F1668 HydrophobicContact CG-CD1 3.68Å; K1536-F1668 HydrophobicContact CG-CD2 3.87Å; K1536-F1668 HydrophobicContact CG-CE1 3.64Å; K1536-F1668 HydrophobicContact CG-CE2 3.82Å; K1536-F1668 HydrophobicContact CG-CG 3.79Å; K1536-F1668 HydrophobicContact CG-CZ 3.85Å; L1539-F1668 HydrophobicContact CD2-CE1 3.94Å; L1539-F1668 HydrophobicContact CD2-CZ 4.11Å; V1655-F1668 HydrophobicContact CB-CE2 4.45Å; V1655-F1668 HydrophobicContact CB-CZ 4.22Å; V1655-F1668 HydrophobicContact CG2-CE2 4.47Å; V1655-F1668 HydrophobicContact CG2-CZ 3.83Å; Y1666-F1668 HydrophobicContact CD1-CB 4.37Å; Y1666-F1668 AromaticContact CD1-CD1 3.77Å; Y1666-F1668 HydrophobicContact CD1-CD1 3.77Å; Y1666-F1668 AromaticContact CD1-CD2 3.77Å; Y1666-F1668 HydrophobicContact CD1-CD2 3.77Å; Y1666-F1668 AromaticContact CD1-CE1 3.91Å; Y1666-F1668 HydrophobicContact CD1-CE1 3.91Å; Y1666-F1668 AromaticContact CD1-CE2 3.9Å; Y1666-F1668 HydrophobicContact CD1-CE2 3.92Å; Y1666-F1668 AromaticContact CD1-CG 3.7Å; Y1666-F1668 HydrophobicContact CD1-CG 3.7Å; Y1666-F1668 AromaticContact CD1-CZ 3.96Å; Y1666-F1668 HydrophobicContact CD1-CZ 4Å; Y1666-F1668 VanDerWaalsContact CD1-N 3.31Å; Y1666-F1668 AromaticContact CE1-CD1 3.94Å; Y1666-F1668 HydrophobicContact CE1-CD1 3.94Å; Y1666-F1668 HydrophobicContact CE1-CE1 4.27Å; Y1666-F1668 HydrophobicContact CE1-CG 4.16Å; Y1666-F1668 WeakPolarHBondContact O-CD2 3.28Å; Y1666-F1668 PolarHBondContact O-N 3.3Å; F1668-G1722 PolarHBondContact N-O 3.17Å
1669E90Very high85.6Confident23.6 Ų23.638.6 Ų38.611%0.1121%0.206CC..  trans-80136.5170.7-167.7150.2-166.100109.5R1452 Q1560 G1667 T1671 G1722 T1724R1452-E1669 IonicContact CZ-OE1 2.87Å; R1452-E1669 VanDerWaalsContact CZ-OE1 3.26Å; R1452-E1669 IonicContact NH1-OE1 3.25Å; R1452-E1669 PolarHBondContact NH1-OE1 3.16Å; R1452-E1669 VanDerWaalsContact NH2-CD 3.26Å; R1452-E1669 IonicContact NH2-OE1 3.17Å; R1452-E1669 PolarHBondContact NH2-OE1 3.12Å; R1452-E1669 IonicContact NH2-OE2 3.53Å; R1452-E1669 PolarHBondContact NH2-OE2 3.37Å; Q1560-E1669 PolarHBondContact NE2-O 3.21Å; Q1560-E1669 PolarHBondContact OE1-O 3.04Å; G1667-E1669 PolarHBondContact O-N 3.28Å; G1667-E1669 VanDerWaalsContact O-N 3.16Å; E1669-T1671 PolarHBondContact O-N 3Å; E1669-T1671 VanDerWaalsContact O-N 3.12Å; E1669-G1722 VanDerWaalsContact CB-O 3.28Å; E1669-G1722 WeakPolarHBondContact CB-O 3.39Å; E1669-G1722 PolarHBondContact N-O 3.03Å; E1669-G1722 VanDerWaalsContact N-O 3.13Å; E1669-T1724 VanDerWaalsContact CD-CB 3.44Å; E1669-T1724 VanDerWaalsContact CD-OG1 3.23Å; E1669-T1724 HydrophobicContact CG-CG2 3.68Å; E1669-T1724 WeakPolarHBondContact CG-OG1 3.38Å; E1669-T1724 VanDerWaalsContact OE1-CB 3.25Å; E1669-T1724 WeakPolarHBondContact OE1-CB 3.19Å; E1669-T1724 WeakPolarHBondContact OE1-CG2 3.31Å; E1669-T1724 PolarHBondContact OE1-OG1 3.25Å; E1669-T1724 VanDerWaalsContact OE2-CB 3.29Å; E1669-T1724 WeakPolarHBondContact OE2-CB 3.44Å; E1669-T1724 VanDerWaalsContact OE2-CG2 3.31Å; E1669-T1724 WeakPolarHBondContact OE2-CG2 3.41Å; E1669-T1724 PolarHBondContact OE2-N 3.01Å; E1669-T1724 PolarHBondContact OE2-OG1 3.09Å
1670Y90.2Very high85.3Confident8 Ų838.7 Ų38.73%0.03121%0.207CC..  trans-69.7114.1178.3-176.4-116.6000109.6S1484 V1485 I1500 S1502 E1506 V1508 L1535 G1672S1484-Y1670 WeakPolarHBondContact CB-O 3.42Å; S1484-Y1670 WeakPolarHBondContact O-CE1 3.47Å; S1484-Y1670 PolarHBondContact OG-O 3.02Å; V1485-Y1670 HydrophobicContact CG2-CD1 3.92Å; V1485-Y1670 HydrophobicContact CG2-CE1 4.44Å; I1500-Y1670 HydrophobicContact CD1-CD1 3.75Å; I1500-Y1670 HydrophobicContact CD1-CD2 4.38Å; I1500-Y1670 HydrophobicContact CD1-CE1 4.06Å; I1500-Y1670 HydrophobicContact CD1-CG 3.9Å; S1502-Y1670 VanDerWaalsContact CB-OH 3.32Å; S1502-Y1670 WeakPolarHBondContact CB-OH 3.3Å; E1506-Y1670 PolarHBondContact OE2-OH 3.16Å; V1508-Y1670 HydrophobicContact CG2-CE2 3.83Å; L1535-Y1670 HydrophobicContact CD1-CD2 4.46Å; L1535-Y1670 HydrophobicContact CD2-CD2 4.41Å; Y1670-G1672 VanDerWaalsContact C-N 3.32Å
1671T83.4Confident85Confident8 Ų840.2 Ų40.25%0.04922%0.219CC..  trans-93-7.4-179570000112.5S1484 Q1560 E1669 I1674S1484-T1671 VanDerWaalsContact CB-C 3.45Å; S1484-T1671 WeakPolarHBondContact CB-O 3.39Å; S1484-T1671 WeakPolarHBondContact OG-CA 3.33Å; S1484-T1671 PolarHBondContact OG-O 3.23Å; Q1560-T1671 VanDerWaalsContact OE1-N 3.09Å; Q1560-T1671 PolarHBondContact OE1-OG1 2.88Å; Q1560-T1671 VanDerWaalsContact OE1-OG1 3.11Å; E1669-T1671 PolarHBondContact O-N 3Å; E1669-T1671 VanDerWaalsContact O-N 3.12Å; T1671-I1674 VanDerWaalsContact O-CD1 3.27Å; T1671-I1674 WeakPolarHBondContact O-CD1 3.29Å; T1671-I1674 VanDerWaalsContact O-CG1 3.27Å; T1671-I1674 WeakPolarHBondContact O-CG1 3.4Å
1672G79.1Confident84.9Confident6.6 Ų6.636.7 Ų36.77%0.06820%0.2CC..  trans66.4-166.4-173.400000112.4Y1670 I1674Y1670-G1672 VanDerWaalsContact C-N 3.32Å; G1672-I1674 PolarHBondContact O-N 3.07Å
1673Q72.8Confident84.7Confident22 Ų2237 Ų3710%0.10320%0.202CC..SBendtrans-88.192.1174.6-178.966.430.800109D1504 C1559 S1609D1504-Q1673 HydrophobicContact CB-CB 4.32Å; D1504-Q1673 HydrophobicContact CB-CG 4.44Å; D1504-Q1673 WeakPolarHBondContact OD2-CB 3.25Å; D1504-Q1673 VanDerWaalsContact OD2-CG 3.25Å; D1504-Q1673 WeakPolarHBondContact OD2-CG 3.33Å; C1559-Q1673 PolarHBondContact SG-NE2 3.1Å; C1559-Q1673 PolarHBondContact SG-OE1 3.11Å; S1609-Q1673 PolarHBondContact O-NE2 3.19Å; S1609-Q1673 VanDerWaalsContact O-NE2 3.07Å
1674I67.1Low84.5Confident65 Ų6535.3 Ų35.333%0.33319%0.188SC..  trans-90.5136.1176.3-59.5173.2000108.7T1671 G1672 R1676T1671-I1674 VanDerWaalsContact O-CD1 3.27Å; T1671-I1674 WeakPolarHBondContact O-CD1 3.29Å; T1671-I1674 VanDerWaalsContact O-CG1 3.27Å; T1671-I1674 WeakPolarHBondContact O-CG1 3.4Å; G1672-I1674 PolarHBondContact O-N 3.07Å; I1674-R1676 PolarHBondContact O-N 3.15Å; I1674-R1676 VanDerWaalsContact O-N 3.13Å
1675T70.2Confident84.4Confident104.4 Ų104.442.6 Ų42.664%0.6421%0.214SC*.  trans-58.2112.6169.452.60000109.2L1677T1675-L1677 PolarHBondContact O-N 3.31Å
1676R78.7Confident84.4Confident52.6 Ų52.636.3 Ų36.320%0.19819%0.187CC..PPolyproline II helixtrans-67.4132.8-176.9-73.3-109.6-178-162.7-1.1110.3C1563 R1567 A1613 L1616 D1617 I1674 S1719C1563-R1676 PolarHBondContact SG-NH2 3.18Å; R1567-R1676 VanDerWaalsContact NH2-NH1 3.11Å; A1613-R1676 HydrophobicContact CB-CG 3.95Å; L1616-R1676 HydrophobicContact CD1-CB 3.98Å; D1617-R1676 VanDerWaalsContact OD1-CD 3.25Å; D1617-R1676 WeakPolarHBondContact OD1-CD 3.34Å; D1617-R1676 IonicContact OD1-CZ 3.33Å; D1617-R1676 IonicContact OD1-NE 2.71Å; D1617-R1676 PolarHBondContact OD1-NE 3.01Å; D1617-R1676 IonicContact OD1-NH1 3.05Å; D1617-R1676 PolarHBondContact OD1-NH1 3.1Å; D1617-R1676 IonicContact OD2-CZ 3.41Å; D1617-R1676 IonicContact OD2-NE 3.67Å; D1617-R1676 PolarHBondContact OD2-NE 2.81Å; D1617-R1676 IonicContact OD2-NH1 3.11Å; D1617-R1676 PolarHBondContact OD2-NH1 3.31Å; D1617-R1676 IonicContact OD2-NH2 3.51Å; D1617-R1676 PolarHBondContact OD2-NH2 2.81Å; I1674-R1676 PolarHBondContact O-N 3.15Å; I1674-R1676 VanDerWaalsContact O-N 3.13Å; R1676-S1719 PolarHBondContact NH1-OG 2.84Å
1677L84.4Confident84.4Confident55.4 Ų55.435.7 Ų35.729%0.2919%0.185SC..PPolyproline II helixtrans-71.2134.5168.8-17569.4000108.9T1675 Q1679 T1683 E1712 A1716T1675-L1677 PolarHBondContact O-N 3.31Å; L1677-Q1679 PolarHBondContact O-N 3.17Å; L1677-T1683 HydrophobicContact CD2-CG2 3.85Å; L1677-E1712 HydrophobicContact CD1-CB 4.37Å; L1677-A1716 HydrophobicContact CB-CB 4.01Å; L1677-A1716 HydrophobicContact CD2-CB 4.2Å
1678V84.7Confident84.6Confident10.6 Ų10.636.4 Ų36.46%0.06418%0.183CC..PPolyproline II helixtrans-64.3119.2170.8-178.70000108.3L1616 T1680 I1839 I1840 N1843 L1844L1616-V1678 HydrophobicContact CD2-CG2 4.13Å; V1678-T1680 HydrophobicContact CG1-CG2 4.46Å; V1678-T1680 PolarHBondContact O-N 3.16Å; V1678-I1839 HydrophobicContact CG1-CG2 4.5Å; V1678-I1840 HydrophobicContact CB-CG1 4.38Å; V1678-I1840 HydrophobicContact CG1-CG1 4.48Å; V1678-I1840 HydrophobicContact CG2-CG2 4.37Å; V1678-N1843 HydrophobicContact CG1-CB 3.64Å; V1678-N1843 VanDerWaalsContact CG1-ND2 3.27Å; V1678-N1843 WeakPolarHBondContact CG1-ND2 3.44Å; V1678-N1843 HydrophobicContact CG2-CB 4.21Å; V1678-L1844 HydrophobicContact CG2-CD2 3.92Å; V1678-L1844 HydrophobicContact CG2-CG 4.04Å
1679Q85.4Confident84.7Confident31.4 Ų31.437.8 Ų37.815%0.14719%0.193CC..PPolyproline II helixtrans-74.7118.9177.6-70.5-179.5-31.700109.2H1620 L1677 T1683 F1687H1620-Q1679 HydrophobicContact CB-CB 4.43Å; H1620-Q1679 VanDerWaalsContact CD2-CB 3.48Å; H1620-Q1679 WeakPolarHBondContact CD2-CB 3.39Å; H1620-Q1679 PolarHBondContact CD2-OE1 3.13Å; H1620-Q1679 PolarHBondContact CE1-OE1 3.01Å; H1620-Q1679 VanDerWaalsContact CE1-OE1 3.29Å; H1620-Q1679 PolarHBondContact ND1-OE1 3.36Å; H1620-Q1679 VanDerWaalsContact ND1-OE1 3.11Å; H1620-Q1679 PolarHBondContact NE2-OE1 3.03Å; L1677-Q1679 PolarHBondContact O-N 3.17Å; Q1679-T1683 WeakPolarHBondContact CA-OG1 3.38Å; Q1679-F1687 HydrophobicContact CG-CE2 4.38Å
1680T86.9Confident84.9Confident5.6 Ų5.636.7 Ų36.73%0.03419%0.187CC..  trans-115.5164.5176.271.30000109.8V1678 L1682 T1683 D1684 D1836 I1839 I1840V1678-T1680 HydrophobicContact CG1-CG2 4.46Å; V1678-T1680 PolarHBondContact O-N 3.16Å; T1680-L1682 PolarHBondContact O-N 3.15Å; T1680-L1682 VanDerWaalsContact O-N 3.09Å; T1680-L1682 PolarHBondContact OG1-N 3.15Å; T1680-T1683 PolarHBondContact N-OG1 3.04Å; T1680-T1683 WeakPolarHBondContact O-CA 3.35Å; T1680-T1683 VanDerWaalsContact O-CB 3.27Å; T1680-T1683 WeakPolarHBondContact O-CB 3.35Å; T1680-T1683 PolarHBondContact O-N 3.13Å; T1680-T1683 PolarHBondContact O-OG1 3.07Å; T1680-T1683 PolarHBondContact OG1-N 3.26Å; T1680-T1683 PolarHBondContact OG1-OG1 2.98Å; T1680-D1684 PolarHBondContact O-N 3.09Å; T1680-D1684 VanDerWaalsContact O-N 3.09Å; T1680-D1836 WeakPolarHBondContact CB-OD2 3.5Å; T1680-D1836 HydrophobicContact CG2-CB 4.28Å; T1680-D1836 PolarHBondContact OG1-OD2 3.14Å; T1680-I1839 HydrophobicContact CG2-CG2 4.44Å; T1680-I1840 HydrophobicContact CG2-CD1 4.22Å; T1680-I1840 HydrophobicContact CG2-CG1 3.8Å
1681P85.2Confident85Confident78.6 Ų78.636.3 Ų36.351%0.5119%0.186SC..Hα-helixtrans-54.3-31.2175-27.535.9000113.5R1685 I1839P1681-R1685 VanDerWaalsContact O-CG 3.27Å; P1681-R1685 WeakPolarHBondContact O-CG 3.49Å; P1681-R1685 PolarHBondContact O-N 3.31Å; P1681-R1685 VanDerWaalsContact O-N 3.14Å; P1681-I1839 HydrophobicContact CG-CD1 4.34Å
1682L86.3Confident85.4Confident31.4 Ų31.437.9 Ų37.916%0.16419%0.193CC..Hα-helixtrans-65.4-46.6172.8-179.164.7000111.6T1680 D1684 R1685 C1686 M1832 L1833 A1835T1680-L1682 PolarHBondContact O-N 3.15Å; T1680-L1682 VanDerWaalsContact O-N 3.09Å; T1680-L1682 PolarHBondContact OG1-N 3.15Å; L1682-D1684 VanDerWaalsContact C-N 3.3Å; L1682-D1684 PolarHBondContact O-N 3.21Å; L1682-R1685 WeakPolarHBondContact O-CB 3.2Å; L1682-R1685 PolarHBondContact O-N 3.09Å; L1682-R1685 VanDerWaalsContact O-N 3.16Å; L1682-C1686 PolarHBondContact O-N 3.24Å; L1682-C1686 PolarHBondContact O-SG 3.06Å; L1682-M1832 HydrophobicContact CD2-CB 4.31Å; L1682-M1832 HydrophobicContact CD2-CE 4.05Å; L1682-M1832 HydrophobicContact CD2-CG 4.48Å; L1682-M1832 HydrophobicContact CG-CE 4.35Å; L1682-L1833 HydrophobicContact CD2-CB 4.22Å; L1682-L1833 VanDerWaalsContact CD2-O 3.25Å; L1682-L1833 WeakPolarHBondContact CD2-O 3.24Å; L1682-A1835 HydrophobicContact CD2-CB 4.49Å
1683T87.8Confident85.9Confident8 Ų837.8 Ų37.85%0.04919%0.192CC..Hα-helixtrans-61.8-39.1178.120.80000111.5L1677 Q1679 T1680 R1685 C1686 F1687 T1713L1677-T1683 HydrophobicContact CD2-CG2 3.85Å; Q1679-T1683 WeakPolarHBondContact CA-OG1 3.38Å; T1680-T1683 PolarHBondContact N-OG1 3.04Å; T1680-T1683 WeakPolarHBondContact O-CA 3.35Å; T1680-T1683 VanDerWaalsContact O-CB 3.27Å; T1680-T1683 WeakPolarHBondContact O-CB 3.35Å; T1680-T1683 PolarHBondContact O-N 3.13Å; T1680-T1683 PolarHBondContact O-OG1 3.07Å; T1680-T1683 PolarHBondContact OG1-N 3.26Å; T1680-T1683 PolarHBondContact OG1-OG1 2.98Å; T1683-R1685 PolarHBondContact O-N 3.42Å; T1683-C1686 WeakPolarHBondContact O-CB 3.28Å; T1683-C1686 PolarHBondContact O-N 3.21Å; T1683-C1686 VanDerWaalsContact O-N 3.14Å; T1683-F1687 HydrophobicContact CG2-CD1 4.44Å; T1683-F1687 HydrophobicContact CG2-CD2 4.27Å; T1683-F1687 HydrophobicContact CG2-CE1 3.86Å; T1683-F1687 HydrophobicContact CG2-CE2 3.68Å; T1683-F1687 HydrophobicContact CG2-CZ 3.46Å; T1683-F1687 VanDerWaalsContact CG2-CZ 3.46Å; T1683-F1687 VanDerWaalsContact O-CG 3.3Å; T1683-F1687 WeakPolarHBondContact O-CG 3.39Å; T1683-F1687 PolarHBondContact O-N 3.14Å; T1683-T1713 HydrophobicContact CG2-CG2 4.29Å
1684D88.7Confident86.7Confident30.8 Ų30.838.2 Ų38.217%0.16519%0.194CC..Hα-helixtrans-64.8-41.7178-67.4-16000111.7H1620 T1680 L1682 C1686 F1687 L1688H1620-D1684 IonicContact CE1-OD1 3.26Å; H1620-D1684 PolarHBondContact CE1-OD1 2.93Å; H1620-D1684 IonicContact CE1-OD2 2.77Å; H1620-D1684 PolarHBondContact CE1-OD2 2.94Å; H1620-D1684 IonicContact NE2-OD1 2.85Å; T1680-D1684 PolarHBondContact O-N 3.09Å; T1680-D1684 VanDerWaalsContact O-N 3.09Å; L1682-D1684 VanDerWaalsContact C-N 3.3Å; L1682-D1684 PolarHBondContact O-N 3.21Å; D1684-C1686 VanDerWaalsContact C-N 3.31Å; D1684-C1686 PolarHBondContact O-N 3.18Å; D1684-F1687 PolarHBondContact O-N 3.24Å; D1684-L1688 VanDerWaalsContact O-CB 3.31Å; D1684-L1688 WeakPolarHBondContact O-CB 3.44Å; D1684-L1688 PolarHBondContact O-N 3.22Å
1685R89.4Confident87.7Confident177 Ų17740.4 Ų40.467%0.66820%0.201SC*.Hα-helixtrans-62.1-38.8172.8-138.3176.9139.3162.11.9111.9P1681 L1682 T1683 T1689P1681-R1685 VanDerWaalsContact O-CG 3.27Å; P1681-R1685 WeakPolarHBondContact O-CG 3.49Å; P1681-R1685 PolarHBondContact O-N 3.31Å; P1681-R1685 VanDerWaalsContact O-N 3.14Å; L1682-R1685 WeakPolarHBondContact O-CB 3.2Å; L1682-R1685 PolarHBondContact O-N 3.09Å; L1682-R1685 VanDerWaalsContact O-N 3.16Å; T1683-R1685 PolarHBondContact O-N 3.42Å; R1685-T1689 PolarHBondContact O-N 3.28Å; R1685-T1689 VanDerWaalsContact O-N 3.12Å; R1685-T1689 PolarHBondContact O-OG1 3.15Å
1686C91.3Very high88.6Confident0.6 Ų0.640.4 Ų40.40%0.00420%0.196CC..Hα-helixtrans-65.8-48.5175.9-64.70000111L1682 T1683 D1684 L1688 T1689 F1690 T1713 V1830 M1832L1682-C1686 PolarHBondContact O-N 3.24Å; L1682-C1686 PolarHBondContact O-SG 3.06Å; T1683-C1686 WeakPolarHBondContact O-CB 3.28Å; T1683-C1686 PolarHBondContact O-N 3.21Å; T1683-C1686 VanDerWaalsContact O-N 3.14Å; D1684-C1686 VanDerWaalsContact C-N 3.31Å; D1684-C1686 PolarHBondContact O-N 3.18Å; C1686-L1688 VanDerWaalsContact C-N 3.33Å; C1686-L1688 PolarHBondContact O-N 3.07Å; C1686-T1689 PolarHBondContact O-N 3.31Å; C1686-T1689 VanDerWaalsContact O-N 3.12Å; C1686-F1690 HydrophobicContact CB-CE2 4.11Å; C1686-F1690 HydrophobicContact CB-CZ 4.23Å; C1686-F1690 WeakPolarHBondContact O-CB 3.4Å; C1686-F1690 WeakPolarHBondContact O-CD1 3.37Å; C1686-F1690 WeakPolarHBondContact O-CD2 3.21Å; C1686-F1690 WeakPolarHBondContact O-CG 3.32Å; C1686-F1690 PolarHBondContact O-N 3.08Å; C1686-T1713 HydrophobicContact CB-CG2 3.93Å; C1686-V1830 HydrophobicContact CB-CG1 4.38Å; C1686-V1830 VanDerWaalsContact SG-CG1 3.59Å; C1686-M1832 HydrophobicContact CB-SD 4.31Å; C1686-M1832 PolarHBondContact SG-SD 3.48Å
1687F92.9Very high88.9Confident3.2 Ų3.238.3 Ų38.31%0.01419%0.191CC..Hα-helixtrans-57.9-46.3176.8-68.2-15.1000111.7L1645 Q1659 Q1679 T1683 D1684 T1689 F1690 T1691 T1713 A1716 L1717 L1720L1645-F1687 HydrophobicContact CD1-CB 4.21Å; L1645-F1687 HydrophobicContact CD1-CD2 3.82Å; L1645-F1687 HydrophobicContact CD1-CE2 4.44Å; L1645-F1687 HydrophobicContact CD1-CG 4.25Å; Q1659-F1687 PolarHBondContact OE1-O 3.43Å; Q1679-F1687 HydrophobicContact CG-CE2 4.38Å; T1683-F1687 HydrophobicContact CG2-CD1 4.44Å; T1683-F1687 HydrophobicContact CG2-CD2 4.27Å; T1683-F1687 HydrophobicContact CG2-CE1 3.86Å; T1683-F1687 HydrophobicContact CG2-CE2 3.68Å; T1683-F1687 HydrophobicContact CG2-CZ 3.46Å; T1683-F1687 VanDerWaalsContact CG2-CZ 3.46Å; T1683-F1687 VanDerWaalsContact O-CG 3.3Å; T1683-F1687 WeakPolarHBondContact O-CG 3.39Å; T1683-F1687 PolarHBondContact O-N 3.14Å; D1684-F1687 PolarHBondContact O-N 3.24Å; F1687-T1689 VanDerWaalsContact C-N 3.29Å; F1687-T1689 PolarHBondContact O-N 3.11Å; F1687-F1690 HydrophobicContact CD1-CD2 4.49Å; F1687-F1690 PolarHBondContact O-N 3.15Å; F1687-T1691 WeakPolarHBondContact O-CG2 3.38Å; F1687-T1691 PolarHBondContact O-N 3.14Å; F1687-T1691 PolarHBondContact O-OG1 3Å; F1687-T1691 VanDerWaalsContact O-OG1 3.1Å; F1687-T1713 HydrophobicContact CD1-CG2 4.06Å; F1687-T1713 HydrophobicContact CE1-CG2 3.61Å; F1687-T1713 WeakPolarHBondContact CE1-O 3.29Å; F1687-T1713 HydrophobicContact CZ-CG2 4.47Å; F1687-A1716 HydrophobicContact CE1-CB 4.48Å; F1687-A1716 HydrophobicContact CZ-CB 4.1Å; F1687-L1717 HydrophobicContact CB-CD1 4.36Å; F1687-L1717 HydrophobicContact CD1-CB 3.82Å; F1687-L1717 HydrophobicContact CD1-CD1 3.95Å; F1687-L1717 HydrophobicContact CD1-CD2 4.2Å; F1687-L1717 HydrophobicContact CD1-CG 4.2Å; F1687-L1717 HydrophobicContact CE1-CB 3.66Å; F1687-L1717 HydrophobicContact CE1-CD1 4.4Å; F1687-L1717 HydrophobicContact CE1-CG 4.46Å; F1687-L1717 HydrophobicContact CG-CD1 4.07Å; F1687-L1717 HydrophobicContact CZ-CB 4.4Å; F1687-L1720 HydrophobicContact CD2-CD1 4.42Å; F1687-L1720 HydrophobicContact CE2-CD1 3.81Å; F1687-L1720 HydrophobicContact CZ-CD1 4.12Å
1688L92.3Very high89Confident34.2 Ų34.239.4 Ų39.418%0.17919%0.194CC..Hα-helixtrans-56.3-45175.3-17366000111.6W1639 Q1659 L1660 D1684 C1686 F1690 T1691 Q1692W1639-L1688 HydrophobicContact CH2-CD2 4.21Å; W1639-L1688 HydrophobicContact CZ2-CD2 4.5Å; Q1659-L1688 HydrophobicContact CG-CD1 3.88Å; L1660-L1688 HydrophobicContact CD1-CD1 3.56Å; L1660-L1688 HydrophobicContact CD1-CG 4.44Å; L1660-L1688 HydrophobicContact CG-CD1 3.87Å; D1684-L1688 VanDerWaalsContact O-CB 3.31Å; D1684-L1688 WeakPolarHBondContact O-CB 3.44Å; D1684-L1688 PolarHBondContact O-N 3.22Å; C1686-L1688 VanDerWaalsContact C-N 3.33Å; C1686-L1688 PolarHBondContact O-N 3.07Å; L1688-F1690 PolarHBondContact O-N 3.4Å; L1688-T1691 PolarHBondContact O-N 3.07Å; L1688-T1691 PolarHBondContact O-OG1 3.16Å; L1688-T1691 VanDerWaalsContact O-OG1 3.1Å; L1688-Q1692 VanDerWaalsContact O-CB 3.3Å; L1688-Q1692 WeakPolarHBondContact O-CB 3.38Å; L1688-Q1692 WeakPolarHBondContact O-CG 3.36Å; L1688-Q1692 PolarHBondContact O-N 3.1Å; L1688-Q1692 VanDerWaalsContact O-N 3.11Å
1689T92Very high89.3Confident36.6 Ų36.639.2 Ų39.223%0.22519%0.193CC..Hα-helixtrans-69.5-38.1-179.8-51.60000111.9R1685 C1686 F1687 Q1692 A1693 R1828 V1830R1685-T1689 PolarHBondContact O-N 3.28Å; R1685-T1689 VanDerWaalsContact O-N 3.12Å; R1685-T1689 PolarHBondContact O-OG1 3.15Å; C1686-T1689 PolarHBondContact O-N 3.31Å; C1686-T1689 VanDerWaalsContact O-N 3.12Å; F1687-T1689 VanDerWaalsContact C-N 3.29Å; F1687-T1689 PolarHBondContact O-N 3.11Å; T1689-Q1692 PolarHBondContact O-N 2.87Å; T1689-A1693 VanDerWaalsContact O-CB 3.29Å; T1689-A1693 WeakPolarHBondContact O-CB 3.34Å; T1689-A1693 PolarHBondContact O-N 3.07Å; T1689-R1828 HydrophobicContact CG2-CG 3.85Å; T1689-V1830 HydrophobicContact CG2-CG2 3.51Å; T1689-V1830 VanDerWaalsContact CG2-CG2 3.48Å
1690F93.3Very high89.6Confident0 Ų037.8 Ų37.80%019%0.187CC..Hα-helixtrans-68.1-46.6179-64-18.8000112C1686 F1687 L1688 Q1692 A1693 M1694 A1700 P1702 T1713 V1714 L1717 F1803 V1830C1686-F1690 HydrophobicContact CB-CE2 4.11Å; C1686-F1690 HydrophobicContact CB-CZ 4.23Å; C1686-F1690 WeakPolarHBondContact O-CB 3.4Å; C1686-F1690 WeakPolarHBondContact O-CD1 3.37Å; C1686-F1690 WeakPolarHBondContact O-CD2 3.21Å; C1686-F1690 WeakPolarHBondContact O-CG 3.32Å; C1686-F1690 PolarHBondContact O-N 3.08Å; F1687-F1690 HydrophobicContact CD1-CD2 4.49Å; F1687-F1690 PolarHBondContact O-N 3.15Å; L1688-F1690 PolarHBondContact O-N 3.4Å; F1690-Q1692 VanDerWaalsContact C-N 3.29Å; F1690-Q1692 PolarHBondContact O-N 3.14Å; F1690-A1693 PolarHBondContact O-N 3.06Å; F1690-M1694 WeakPolarHBondContact O-CB 3.38Å; F1690-M1694 VanDerWaalsContact O-CG 3.27Å; F1690-M1694 WeakPolarHBondContact O-CG 3.39Å; F1690-M1694 PolarHBondContact O-N 3.22Å; F1690-A1700 HydrophobicContact CD1-CB 3.57Å; F1690-A1700 HydrophobicContact CE1-CB 3.9Å; F1690-A1700 HydrophobicContact CG-CB 4.45Å; F1690-P1702 HydrophobicContact CE1-CB 4.4Å; F1690-P1702 HydrophobicContact CE1-CG 4.32Å; F1690-P1702 HydrophobicContact CZ-CB 3.99Å; F1690-P1702 HydrophobicContact CZ-CG 4.01Å; F1690-T1713 HydrophobicContact CE2-CG2 3.99Å; F1690-V1714 HydrophobicContact CE2-CG2 4.17Å; F1690-V1714 HydrophobicContact CZ-CG2 4.37Å; F1690-L1717 HydrophobicContact CB-CD2 3.6Å; F1690-L1717 HydrophobicContact CD2-CD2 3.81Å; F1690-L1717 HydrophobicContact CG-CD2 4.22Å; F1690-F1803 HydrophobicContact CB-CE1 4.33Å; F1690-F1803 HydrophobicContact CD1-CE1 4.36Å; F1690-F1803 HydrophobicContact CD2-CE1 4.34Å; F1690-F1803 HydrophobicContact CG-CE1 4.11Å; F1690-V1830 HydrophobicContact CD1-CG2 4.14Å; F1690-V1830 HydrophobicContact CE1-CB 4.12Å; F1690-V1830 HydrophobicContact CE1-CG1 4.29Å; F1690-V1830 HydrophobicContact CE1-CG2 3.66Å; F1690-V1830 HydrophobicContact CZ-CB 4.49Å; F1690-V1830 HydrophobicContact CZ-CG1 4.43Å; F1690-V1830 HydrophobicContact CZ-CG2 4.49Å
1691T92.4Very high89.7Confident0 Ų038.2 Ų38.20%019%0.188CC..Hα-helixtrans-62.7-38.917852.50000111.8L1645 Q1659 F1664 F1687 L1688 M1694 K1695 L1717L1645-T1691 HydrophobicContact CD2-CG2 4.29Å; Q1659-T1691 HydrophobicContact CB-CG2 4.44Å; Q1659-T1691 PolarHBondContact OE1-OG1 3.06Å; Q1659-T1691 VanDerWaalsContact OE1-OG1 3.1Å; F1664-T1691 HydrophobicContact CE2-CG2 3.9Å; F1664-T1691 WeakPolarHBondContact CZ-O 3.39Å; F1687-T1691 WeakPolarHBondContact O-CG2 3.38Å; F1687-T1691 PolarHBondContact O-N 3.14Å; F1687-T1691 PolarHBondContact O-OG1 3Å; F1687-T1691 VanDerWaalsContact O-OG1 3.1Å; L1688-T1691 PolarHBondContact O-N 3.07Å; L1688-T1691 PolarHBondContact O-OG1 3.16Å; L1688-T1691 VanDerWaalsContact O-OG1 3.1Å; T1691-M1694 HydrophobicContact CG2-CE 4.1Å; T1691-M1694 PolarHBondContact O-N 3.19Å; T1691-K1695 WeakPolarHBondContact O-CB 3.39Å; T1691-K1695 PolarHBondContact O-N 3.21Å; T1691-L1717 HydrophobicContact CG2-CD1 4.41Å; T1691-L1717 HydrophobicContact CG2-CD2 4.45Å
1692Q92Very high90Very high42.6 Ų42.634.4 Ų34.420%0.19916%0.164CC..Hα-helixtrans-68.1-42.9175.3-68.7-61.5-34.900112.3Q1659 D1661 L1688 T1689 F1690 M1694 K1695 L1696Q1659-Q1692 PolarHBondContact O-NE2 2.81Å; D1661-Q1692 PolarHBondContact OD1-NE2 3.26Å; D1661-Q1692 PolarHBondContact OD1-OE1 3.14Å; L1688-Q1692 VanDerWaalsContact O-CB 3.3Å; L1688-Q1692 WeakPolarHBondContact O-CB 3.38Å; L1688-Q1692 WeakPolarHBondContact O-CG 3.36Å; L1688-Q1692 PolarHBondContact O-N 3.1Å; L1688-Q1692 VanDerWaalsContact O-N 3.11Å; T1689-Q1692 PolarHBondContact O-N 2.87Å; F1690-Q1692 VanDerWaalsContact C-N 3.29Å; F1690-Q1692 PolarHBondContact O-N 3.14Å; Q1692-M1694 VanDerWaalsContact C-N 3.34Å; Q1692-M1694 PolarHBondContact O-N 3.28Å; Q1692-K1695 PolarHBondContact O-N 3.11Å; Q1692-L1696 WeakPolarHBondContact O-CG 3.38Å; Q1692-L1696 PolarHBondContact O-N 3.13Å; Q1692-L1696 VanDerWaalsContact O-N 3.13Å
1693A90.3Very high90.1Very high4.4 Ų4.437.5 Ų37.54%0.03617%0.174CC..Hα-helixtrans-59.7-45.9174.600000111.5T1689 F1690 K1695 L1696 G1697 F1698 A1700 R1828T1689-A1693 VanDerWaalsContact O-CB 3.29Å; T1689-A1693 WeakPolarHBondContact O-CB 3.34Å; T1689-A1693 PolarHBondContact O-N 3.07Å; F1690-A1693 PolarHBondContact O-N 3.06Å; A1693-K1695 PolarHBondContact O-N 3.08Å; A1693-L1696 CarbonylContact O-C 3.54Å; A1693-L1696 PolarHBondContact O-N 3.03Å; A1693-L1696 VanDerWaalsContact O-N 3.15Å; A1693-G1697 PolarHBondContact O-N 3.31Å; A1693-G1697 VanDerWaalsContact O-N 3.14Å; A1693-F1698 CarbonylContact C-O 3.4Å; A1693-F1698 HydrophobicContact CB-CB 4.31Å; A1693-F1698 PolarHBondContact O-N 3.11Å; A1693-A1700 HydrophobicContact CB-CB 4.39Å; A1693-R1828 HydrophobicContact CB-CB 3.93Å; A1693-R1828 HydrophobicContact CB-CG 4.3Å
1694M89.6Confident89.9Confident30.4 Ų30.437.3 Ų37.315%0.1517%0.174CC..Hα-helixtrans-62.5-40.9177.9-74.1-176.554.800112.7F1664 F1690 T1691 Q1692 L1696 G1697 L1717 L1721 W1752 A1801 F1803F1664-M1694 HydrophobicContact CD1-CE 4.45Å; F1664-M1694 HydrophobicContact CE1-CB 4.01Å; F1664-M1694 HydrophobicContact CE1-CE 4.16Å; F1664-M1694 HydrophobicContact CE2-CE 4.17Å; F1664-M1694 HydrophobicContact CZ-CB 3.89Å; F1664-M1694 HydrophobicContact CZ-CE 3.88Å; F1690-M1694 WeakPolarHBondContact O-CB 3.38Å; F1690-M1694 VanDerWaalsContact O-CG 3.27Å; F1690-M1694 WeakPolarHBondContact O-CG 3.39Å; F1690-M1694 PolarHBondContact O-N 3.22Å; T1691-M1694 HydrophobicContact CG2-CE 4.1Å; T1691-M1694 PolarHBondContact O-N 3.19Å; Q1692-M1694 VanDerWaalsContact C-N 3.34Å; Q1692-M1694 PolarHBondContact O-N 3.28Å; M1694-L1696 VanDerWaalsContact C-N 3.26Å; M1694-L1696 PolarHBondContact O-N 3.1Å; M1694-G1697 PolarHBondContact O-N 3.18Å; M1694-L1717 HydrophobicContact CE-CD2 4.31Å; M1694-L1721 HydrophobicContact CE-CD1 4.23Å; M1694-W1752 HydrophobicContact CE-CH2 3.89Å; M1694-W1752 HydrophobicContact CE-CZ2 3.32Å; M1694-W1752 HydrophobicContact SD-CH2 3.48Å; M1694-W1752 VanDerWaalsContact SD-CH2 3.55Å; M1694-W1752 WeakPolarHBondContact SD-CH2 3.31Å; M1694-W1752 HydrophobicContact SD-CZ2 3.38Å; M1694-W1752 VanDerWaalsContact SD-CZ2 3.55Å; M1694-W1752 WeakPolarHBondContact SD-CZ2 3.32Å; M1694-W1752 HydrophobicContact SD-CZ3 4.39Å; M1694-A1801 HydrophobicContact CE-CB 3.67Å; M1694-A1801 HydrophobicContact CG-CB 4.36Å; M1694-A1801 HydrophobicContact SD-CB 4.15Å; M1694-F1803 HydrophobicContact CG-CZ 4.46Å; M1694-F1803 HydrophobicContact SD-CZ 4.11Å
1695K88.5Confident89.4Confident110.2 Ų110.238.5 Ų38.548%0.47918%0.183SC..Hα-helixtrans-59.6-37.2176.1176.872.5179175.50112D1661 A1662 T1691 Q1692 A1693 G1697D1661-K1695 PolarHBondContact O-NZ 3.48Å; D1661-K1695 IonicContact OD1-NZ 2.73Å; D1661-K1695 IonicContact OD2-NZ 3.46Å; D1661-K1695 PolarHBondContact OD2-NZ 3.44Å; A1662-K1695 HydrophobicContact CB-CB 4.01Å; A1662-K1695 HydrophobicContact CB-CD 4.03Å; A1662-K1695 HydrophobicContact CB-CG 4.33Å; T1691-K1695 WeakPolarHBondContact O-CB 3.39Å; T1691-K1695 PolarHBondContact O-N 3.21Å; Q1692-K1695 PolarHBondContact O-N 3.11Å; A1693-K1695 PolarHBondContact O-N 3.08Å; K1695-G1697 VanDerWaalsContact C-N 3.29Å; K1695-G1697 PolarHBondContact O-N 3Å
1696L88Confident88.7Confident104.4 Ų104.432.5 Ų32.555%0.54717%0.166SC..THydrogen-bonded Turntrans-83.93.4177.3-64.7173.8000113.5Q1692 A1693 M1694 F1698 Q1781Q1692-L1696 WeakPolarHBondContact O-CG 3.38Å; Q1692-L1696 PolarHBondContact O-N 3.13Å; Q1692-L1696 VanDerWaalsContact O-N 3.13Å; A1693-L1696 CarbonylContact O-C 3.54Å; A1693-L1696 PolarHBondContact O-N 3.03Å; A1693-L1696 VanDerWaalsContact O-N 3.15Å; M1694-L1696 VanDerWaalsContact C-N 3.26Å; M1694-L1696 PolarHBondContact O-N 3.1Å; L1696-F1698 HydrophobicContact CB-CD2 3.51Å; L1696-F1698 VanDerWaalsContact CB-CD2 3.48Å; L1696-F1698 HydrophobicContact CB-CE2 3.91Å; L1696-F1698 HydrophobicContact CD1-CD2 4.31Å; L1696-F1698 HydrophobicContact CD1-CE2 4.32Å; L1696-F1698 HydrophobicContact CG-CD2 4.49Å; L1696-F1698 WeakPolarHBondContact O-CD2 3.38Å; L1696-F1698 PolarHBondContact O-N 3.29Å; L1696-Q1781 VanDerWaalsContact O-CG 3.28Å; L1696-Q1781 WeakPolarHBondContact O-CG 3.39Å; L1696-Q1781 PolarHBondContact O-NE2 3.04Å; L1696-Q1781 VanDerWaalsContact O-NE2 3.11Å
1697G85.3Confident87.8Confident8.8 Ų8.834 Ų349%0.09118%0.182CC..THydrogen-bonded Turntrans68.414.6-17700000114.5A1693 M1694 K1695 Q1777A1693-G1697 PolarHBondContact O-N 3.31Å; A1693-G1697 VanDerWaalsContact O-N 3.14Å; M1694-G1697 PolarHBondContact O-N 3.18Å; K1695-G1697 VanDerWaalsContact C-N 3.29Å; K1695-G1697 PolarHBondContact O-N 3Å; G1697-Q1777 WeakPolarHBondContact O-CG 3.43Å
1698F87.5Confident87Confident77.6 Ų77.634.6 Ų34.634%0.3419%0.186SC..  trans-83.4149.7174.2-72.3-79.8000111.4A1693 L1696 Q1777A1693-F1698 CarbonylContact C-O 3.4Å; A1693-F1698 HydrophobicContact CB-CB 4.31Å; A1693-F1698 PolarHBondContact O-N 3.11Å; L1696-F1698 HydrophobicContact CB-CD2 3.51Å; L1696-F1698 VanDerWaalsContact CB-CD2 3.48Å; L1696-F1698 HydrophobicContact CB-CE2 3.91Å; L1696-F1698 HydrophobicContact CD1-CD2 4.31Å; L1696-F1698 HydrophobicContact CD1-CE2 4.32Å; L1696-F1698 HydrophobicContact CG-CD2 4.49Å; L1696-F1698 WeakPolarHBondContact O-CD2 3.38Å; L1696-F1698 PolarHBondContact O-N 3.29Å; F1698-Q1777 VanDerWaalsContact CE1-NE2 3.27Å
1699C89.9Confident86.5Confident8.4 Ų8.433.9 Ų33.96%0.05719%0.187CC..EExtended strand (participates in β ladder)trans-79.2158.6167.5-59.50000109.7I1802 L1826 F1827 R1828C1699-I1802 WeakPolarHBondContact CA-O 3.38Å; C1699-I1802 HydrophobicContact CB-CB 4.43Å; C1699-I1802 VanDerWaalsContact CB-O 3.28Å; C1699-I1802 WeakPolarHBondContact CB-O 3.33Å; C1699-L1826 PolarHBondContact N-O 3.45Å; C1699-F1827 HydrophobicContact CB-CD1 3.26Å; C1699-F1827 HydrophobicContact CB-CE1 3.43Å; C1699-F1827 HydrophobicContact CB-CG 4.27Å; C1699-F1827 HydrophobicContact CB-CZ 4.33Å; C1699-F1827 CarbonylContact O-C 3.41Å; C1699-F1827 VanDerWaalsContact O-CA 3.27Å; C1699-F1827 WeakPolarHBondContact O-CA 3.39Å; C1699-R1828 PolarHBondContact O-N 3.1Å
1700A91.1Very high86.2Confident1.8 Ų1.832.7 Ų32.72%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-115.8147.7179.700000112.3F1690 A1693 I1802 F1803 I1804F1690-A1700 HydrophobicContact CD1-CB 3.57Å; F1690-A1700 HydrophobicContact CE1-CB 3.9Å; F1690-A1700 HydrophobicContact CG-CB 4.45Å; A1693-A1700 HydrophobicContact CB-CB 4.39Å; A1700-I1802 PolarHBondContact N-O 3.14Å; A1700-F1803 HydrophobicContact CB-CD1 3.72Å; A1700-F1803 HydrophobicContact CB-CE1 3.78Å; A1700-F1803 WeakPolarHBondContact O-CA 3.3Å; A1700-I1804 PolarHBondContact O-N 3.05Å; A1700-I1804 VanDerWaalsContact O-N 3.1Å
1701N90.5Very high85.8Confident12.4 Ų12.433.4 Ų33.47%0.06618%0.183CC..EExtended strand (participates in β ladder)trans-130.785.5-177.8173.212.6000111.2Y1703 I1804 L1806 F1827 R1828 P1829 V1830N1701-Y1703 PolarHBondContact O-N 3.01Å; N1701-I1804 WeakPolarHBondContact CA-O 3.32Å; N1701-I1804 HydrophobicContact CB-CD1 4.01Å; N1701-I1804 HydrophobicContact CB-CG1 3.67Å; N1701-I1804 PolarHBondContact OD1-O 3.11Å; N1701-L1806 VanDerWaalsContact ND2-CD1 3.31Å; N1701-L1806 WeakPolarHBondContact ND2-CD1 3.3Å; N1701-L1806 VanDerWaalsContact OD1-CD1 3.24Å; N1701-L1806 WeakPolarHBondContact OD1-CD1 3.39Å; N1701-L1806 WeakPolarHBondContact OD1-CG 3.35Å; N1701-F1827 HydrophobicContact CB-CB 3.62Å; N1701-F1827 HydrophobicContact CB-CD1 4.41Å; N1701-F1827 HydrophobicContact CB-CG 4.21Å; N1701-R1828 PolarHBondContact N-O 3.18Å; N1701-P1829 CarbonylContact O-C 3.57Å; N1701-P1829 VanDerWaalsContact O-CA 3.31Å; N1701-P1829 WeakPolarHBondContact O-CA 3.3Å; N1701-V1830 PolarHBondContact O-N 3.14Å
1702P90.7Very high85.6Confident0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-66.412016425.6-33.7000111.5F1690 K1710 V1714 I1804 T1805 L1806 V1830 M1832F1690-P1702 HydrophobicContact CE1-CB 4.4Å; F1690-P1702 HydrophobicContact CE1-CG 4.32Å; F1690-P1702 HydrophobicContact CZ-CB 3.99Å; F1690-P1702 HydrophobicContact CZ-CG 4.01Å; P1702-K1710 HydrophobicContact CB-CB 4.29Å; P1702-K1710 HydrophobicContact CB-CG 4.46Å; P1702-V1714 HydrophobicContact CG-CG2 4.18Å; P1702-I1804 VanDerWaalsContact CD-O 3.24Å; P1702-I1804 WeakPolarHBondContact CD-O 3.39Å; P1702-T1805 HydrophobicContact CG-CG2 3.87Å; P1702-T1805 WeakPolarHBondContact O-CA 3.3Å; P1702-L1806 PolarHBondContact O-N 3.04Å; P1702-V1830 WeakPolarHBondContact CA-O 3.43Å; P1702-M1832 HydrophobicContact CB-CG 3.88Å; P1702-M1832 HydrophobicContact CB-SD 4.2Å
1703Y88.3Confident85.5Confident96.4 Ų96.435.3 Ų35.338%0.37819%0.192SC..EExtended strand (participates in β ladder)trans-128.1149.2176.275-81.1000111.3N1701 L1806 P1829 V1830 A1831 M1832N1701-Y1703 PolarHBondContact O-N 3.01Å; Y1703-L1806 VanDerWaalsContact CA-O 3.3Å; Y1703-L1806 WeakPolarHBondContact CA-O 3.34Å; Y1703-P1829 HydrophobicContact CD1-CB 4.13Å; Y1703-P1829 HydrophobicContact CE1-CB 3.8Å; Y1703-V1830 VanDerWaalsContact CD1-O 3.26Å; Y1703-V1830 WeakPolarHBondContact CD1-O 3.35Å; Y1703-V1830 PolarHBondContact N-O 2.8Å; Y1703-A1831 HydrophobicContact CE1-CB 4.03Å; Y1703-A1831 HydrophobicContact CE2-CB 4.31Å; Y1703-M1832 PolarHBondContact O-N 3.09Å
1704G83.3Confident85.5Confident3.2 Ų3.235.1 Ų35.13%0.03319%0.19CC..  trans163.5175.6-177.500000112.4K1710 L1806 N1807 P1808 M1832G1704-K1710 PolarHBondContact O-NZ 3.32Å; G1704-L1806 PolarHBondContact N-O 3.23Å; G1704-L1806 VanDerWaalsContact N-O 3.12Å; G1704-N1807 PolarHBondContact O-OD1 3.35Å; G1704-N1807 VanDerWaalsContact O-OD1 3.12Å; G1704-P1808 WeakPolarHBondContact O-CD 3.36Å; G1704-M1832 WeakPolarHBondContact CA-O 3.48Å
1705P78.3Confident85.5Confident56.4 Ų56.436.4 Ų36.437%0.36620%0.195SC..SBendtrans-58.9164.5178.25.6-6.3000112.9T1708 K1710 M1832 L1833P1705-T1708 HydrophobicContact CB-CG2 4.15Å; P1705-T1708 HydrophobicContact CG-CG2 4.03Å; P1705-T1708 WeakPolarHBondContact O-CG2 3.4Å; P1705-T1708 PolarHBondContact O-OG1 3.15Å; P1705-T1708 VanDerWaalsContact O-OG1 3.07Å; P1705-K1710 PolarHBondContact O-NZ 3.25Å; P1705-M1832 WeakPolarHBondContact CD-O 3.35Å; P1705-L1833 VanDerWaalsContact CG-O 3.22Å; P1705-L1833 WeakPolarHBondContact CG-O 3.47Å
1706T74.7Confident85.6Confident51.2 Ų51.232 Ų3231%0.31418%0.179SC..THydrogen-bonded Turntrans-63.9144.3177.2-53.90000110.9T1708 Y1813 A2137T1706-T1708 PolarHBondContact O-N 3.29Å; T1706-Y1813 PolarHBondContact OG1-OH 3.42Å; T1706-A2137 HydrophobicContact CG2-CB 3.94Å
1707G72.3Confident85.8Confident32.6 Ų32.627 Ų2734%0.33615%0.153SC..THydrogen-bonded Turntrans83.94.4175.900000115.6G1709 L1897G1707-G1709 VanDerWaalsContact C-N 3.28Å; G1707-G1709 PolarHBondContact O-N 3.16Å; G1707-L1897 WeakPolarHBondContact O-CB 3.24Å; G1707-L1897 WeakPolarHBondContact O-CD1 3.41Å; G1707-L1897 WeakPolarHBondContact O-CD2 3.24Å
1708T76.5Confident86Confident15 Ų1526.6 Ų26.69%0.09215%0.149CC..SBendtrans-82.44.1178.257.50000114.9P1705 T1706 K1710 M1832P1705-T1708 HydrophobicContact CB-CG2 4.15Å; P1705-T1708 HydrophobicContact CG-CG2 4.03Å; P1705-T1708 WeakPolarHBondContact O-CG2 3.4Å; P1705-T1708 PolarHBondContact O-OG1 3.15Å; P1705-T1708 VanDerWaalsContact O-OG1 3.07Å; T1706-T1708 PolarHBondContact O-N 3.29Å; T1708-K1710 WeakPolarHBondContact OG1-CG 3.26Å; T1708-M1832 WeakPolarHBondContact CG2-O 3.43Å; T1708-M1832 WeakPolarHBondContact O-CE 3.37Å; T1708-M1832 PolarHBondContact OG1-O 3.36Å
1709G81.5Confident86.1Confident19.2 Ų19.223.6 Ų23.620%0.19814%0.138CC..  trans79.323.8175.900000115.6G1707 T1711 E1712 T1713G1707-G1709 VanDerWaalsContact C-N 3.28Å; G1707-G1709 PolarHBondContact O-N 3.16Å; G1709-T1711 PolarHBondContact O-N 2.98Å; G1709-E1712 VanDerWaalsContact C-OE2 3.25Å; G1709-E1712 VanDerWaalsContact CA-OE2 3.25Å; G1709-E1712 WeakPolarHBondContact CA-OE2 3.35Å; G1709-E1712 CarbonylContact O-C 3.53Å; G1709-E1712 PolarHBondContact O-N 3.2Å; G1709-T1713 VanDerWaalsContact O-CB 3.28Å; G1709-T1713 WeakPolarHBondContact O-CB 3.28Å; G1709-T1713 PolarHBondContact O-N 3.22Å; G1709-T1713 PolarHBondContact O-OG1 3.02Å
1710K86.4Confident86.1Confident11.4 Ų11.423.8 Ų23.85%0.0514%0.138CC..Hα-helixtrans-53.1-57.3-177.7-61-175.6-73.1-79.90113.4P1702 G1704 P1705 T1708 E1712 T1713 V1714 T1805 L1806 N1807 M1832P1702-K1710 HydrophobicContact CB-CB 4.29Å; P1702-K1710 HydrophobicContact CB-CG 4.46Å; G1704-K1710 PolarHBondContact O-NZ 3.32Å; P1705-K1710 PolarHBondContact O-NZ 3.25Å; T1708-K1710 WeakPolarHBondContact OG1-CG 3.26Å; K1710-E1712 VanDerWaalsContact C-N 3.33Å; K1710-E1712 PolarHBondContact O-N 2.87Å; K1710-T1713 PolarHBondContact O-N 3.01Å; K1710-V1714 PolarHBondContact O-N 3.13Å; K1710-T1805 HydrophobicContact CB-CG2 4.12Å; K1710-L1806 WeakPolarHBondContact CE-O 3.32Å; K1710-N1807 VanDerWaalsContact CE-OD1 3.28Å; K1710-N1807 WeakPolarHBondContact CE-OD1 3.43Å; K1710-N1807 PolarHBondContact NZ-OD1 3.1Å; K1710-M1832 HydrophobicContact CB-SD 4.24Å; K1710-M1832 HydrophobicContact CG-CB 4.31Å; K1710-M1832 HydrophobicContact CG-CG 4Å; K1710-M1832 HydrophobicContact CG-SD 3.81Å
1711T85.5Confident86.2Confident15.6 Ų15.623.7 Ų23.710%0.09614%0.137CC..Hα-helixtrans-67.1-39.2-178.7-48.50000110.9G1709 T1713 V1714 K1715 V1727 D1756G1709-T1711 PolarHBondContact O-N 2.98Å; T1711-T1713 VanDerWaalsContact C-N 3.33Å; T1711-T1713 PolarHBondContact O-N 3.16Å; T1711-V1714 PolarHBondContact O-N 2.99Å; T1711-K1715 WeakPolarHBondContact O-CG 3.41Å; T1711-K1715 PolarHBondContact O-N 3.19Å; T1711-K1715 VanDerWaalsContact O-N 3.07Å; T1711-V1727 HydrophobicContact CG2-CG1 3.87Å; T1711-V1727 HydrophobicContact CG2-CG2 3.87Å; T1711-D1756 PolarHBondContact OG1-OD1 3.25Å; T1711-D1756 VanDerWaalsContact OG1-OD1 3.1Å; T1711-D1756 PolarHBondContact OG1-OD2 3.17Å
1712E86.7Confident86.1Confident79.8 Ų79.823.1 Ų23.137%0.37313%0.134SC..Hα-helixtrans-66.9-33.8178.6-65.1-12.4153.300112.3L1677 G1709 K1710 K1715 A1716L1677-E1712 HydrophobicContact CD1-CB 4.37Å; G1709-E1712 VanDerWaalsContact C-OE2 3.25Å; G1709-E1712 VanDerWaalsContact CA-OE2 3.25Å; G1709-E1712 WeakPolarHBondContact CA-OE2 3.35Å; G1709-E1712 CarbonylContact O-C 3.53Å; G1709-E1712 PolarHBondContact O-N 3.2Å; K1710-E1712 VanDerWaalsContact C-N 3.33Å; K1710-E1712 PolarHBondContact O-N 2.87Å; E1712-K1715 PolarHBondContact O-N 3.01Å; E1712-K1715 WeakPolarHBondContact OE1-CE 3.32Å; E1712-K1715 IonicContact OE1-NZ 3.13Å; E1712-K1715 PolarHBondContact OE1-NZ 3.2Å; E1712-K1715 IonicContact OE2-NZ 3.28Å; E1712-A1716 VanDerWaalsContact O-CB 3.24Å; E1712-A1716 WeakPolarHBondContact O-CB 3.26Å; E1712-A1716 PolarHBondContact O-N 3.05Å
1713T90.3Very high86.1Confident2 Ų224.1 Ų24.11%0.01214%0.138CC..Hα-helixtrans-65.3-42.3174.6-56.70000110.9T1683 C1686 F1687 F1690 G1709 K1710 T1711 A1716 L1717 M1832T1683-T1713 HydrophobicContact CG2-CG2 4.29Å; C1686-T1713 HydrophobicContact CB-CG2 3.93Å; F1687-T1713 HydrophobicContact CD1-CG2 4.06Å; F1687-T1713 HydrophobicContact CE1-CG2 3.61Å; F1687-T1713 WeakPolarHBondContact CE1-O 3.29Å; F1687-T1713 HydrophobicContact CZ-CG2 4.47Å; F1690-T1713 HydrophobicContact CE2-CG2 3.99Å; G1709-T1713 VanDerWaalsContact O-CB 3.28Å; G1709-T1713 WeakPolarHBondContact O-CB 3.28Å; G1709-T1713 PolarHBondContact O-N 3.22Å; G1709-T1713 PolarHBondContact O-OG1 3.02Å; K1710-T1713 PolarHBondContact O-N 3.01Å; T1711-T1713 VanDerWaalsContact C-N 3.33Å; T1711-T1713 PolarHBondContact O-N 3.16Å; T1713-A1716 PolarHBondContact O-N 3.06Å; T1713-L1717 PolarHBondContact O-N 2.91Å; T1713-M1832 HydrophobicContact CG2-CE 4.39Å; T1713-M1832 WeakPolarHBondContact OG1-CE 3.3Å
1714V90.8Very high86Confident0 Ų020 Ų200%012%0.123CC..Hα-helixtrans-64.6-45.1175.9179.70000111F1690 P1702 K1710 T1711 A1716 L1717 G1718 V1725 W1752 C1754 F1803F1690-V1714 HydrophobicContact CE2-CG2 4.17Å; F1690-V1714 HydrophobicContact CZ-CG2 4.37Å; P1702-V1714 HydrophobicContact CG-CG2 4.18Å; K1710-V1714 PolarHBondContact O-N 3.13Å; T1711-V1714 PolarHBondContact O-N 2.99Å; V1714-A1716 VanDerWaalsContact C-N 3.34Å; V1714-A1716 PolarHBondContact O-N 3.12Å; V1714-L1717 PolarHBondContact O-N 3.21Å; V1714-G1718 PolarHBondContact O-N 3.1Å; V1714-V1725 HydrophobicContact CG1-CG1 4.08Å; V1714-W1752 HydrophobicContact CG1-CE3 4.43Å; V1714-C1754 HydrophobicContact CG1-CB 4.32Å; V1714-F1803 HydrophobicContact CB-CD1 4.42Å; V1714-F1803 HydrophobicContact CB-CG 4.45Å; V1714-F1803 HydrophobicContact CG1-CB 4.05Å; V1714-F1803 HydrophobicContact CG1-CD1 3.94Å; V1714-F1803 HydrophobicContact CG1-CD2 3.62Å; V1714-F1803 HydrophobicContact CG1-CE1 4.31Å; V1714-F1803 HydrophobicContact CG1-CE2 4.01Å; V1714-F1803 HydrophobicContact CG1-CG 3.59Å; V1714-F1803 HydrophobicContact CG1-CZ 4.34Å; V1714-F1803 HydrophobicContact CG2-CB 4.24Å; V1714-F1803 HydrophobicContact CG2-CD1 3.86Å; V1714-F1803 HydrophobicContact CG2-CE1 4.25Å; V1714-F1803 HydrophobicContact CG2-CG 4.1Å
1715K89.1Confident86.2Confident58.2 Ų58.221.3 Ų21.325%0.25313%0.13SC..Hα-helixtrans-59.4-43.9174.8-72.4-178.9-172.6168.90112.2T1711 E1712 G1718 S1719 V1725 V1727 N2105T1711-K1715 WeakPolarHBondContact O-CG 3.41Å; T1711-K1715 PolarHBondContact O-N 3.19Å; T1711-K1715 VanDerWaalsContact O-N 3.07Å; E1712-K1715 PolarHBondContact O-N 3.01Å; E1712-K1715 WeakPolarHBondContact OE1-CE 3.32Å; E1712-K1715 IonicContact OE1-NZ 3.13Å; E1712-K1715 PolarHBondContact OE1-NZ 3.2Å; E1712-K1715 IonicContact OE2-NZ 3.28Å; K1715-G1718 PolarHBondContact O-N 3.09Å; K1715-S1719 WeakPolarHBondContact O-CB 3.38Å; K1715-S1719 PolarHBondContact O-N 3.07Å; K1715-V1725 HydrophobicContact CG-CB 4.41Å; K1715-V1725 HydrophobicContact CG-CG1 4.29Å; K1715-V1727 HydrophobicContact CD-CG2 4.39Å; K1715-V1727 HydrophobicContact CG-CG2 4.32Å; K1715-N2105 PolarHBondContact NZ-ND2 3.38Å
1716A90.1Very high86.6Confident18 Ų1819.3 Ų19.315%0.14912%0.116CC..Hα-helixtrans-60.2-48.3178.300000110.6L1677 F1687 E1712 T1713 V1714 G1718 S1719 L1720L1677-A1716 HydrophobicContact CB-CB 4.01Å; L1677-A1716 HydrophobicContact CD2-CB 4.2Å; F1687-A1716 HydrophobicContact CE1-CB 4.48Å; F1687-A1716 HydrophobicContact CZ-CB 4.1Å; E1712-A1716 VanDerWaalsContact O-CB 3.24Å; E1712-A1716 WeakPolarHBondContact O-CB 3.26Å; E1712-A1716 PolarHBondContact O-N 3.05Å; T1713-A1716 PolarHBondContact O-N 3.06Å; V1714-A1716 VanDerWaalsContact C-N 3.34Å; V1714-A1716 PolarHBondContact O-N 3.12Å; A1716-G1718 PolarHBondContact O-N 3.16Å; A1716-S1719 WeakPolarHBondContact O-CB 3.39Å; A1716-S1719 PolarHBondContact O-N 3.35Å; A1716-L1720 VanDerWaalsContact O-CG 3.25Å; A1716-L1720 WeakPolarHBondContact O-CG 3.41Å; A1716-L1720 PolarHBondContact O-N 3.06Å
1717L92.2Very high87Confident0 Ų018.7 Ų18.70%011%0.112CC..Hα-helixtrans-61.7-44.7177.2-175.159.9000112.3L1645 F1687 F1690 T1691 M1694 T1713 V1714 S1719 L1720 L1721 W1752L1645-L1717 HydrophobicContact CD1-CD1 4.04Å; F1687-L1717 HydrophobicContact CB-CD1 4.36Å; F1687-L1717 HydrophobicContact CD1-CB 3.82Å; F1687-L1717 HydrophobicContact CD1-CD1 3.95Å; F1687-L1717 HydrophobicContact CD1-CD2 4.2Å; F1687-L1717 HydrophobicContact CD1-CG 4.2Å; F1687-L1717 HydrophobicContact CE1-CB 3.66Å; F1687-L1717 HydrophobicContact CE1-CD1 4.4Å; F1687-L1717 HydrophobicContact CE1-CG 4.46Å; F1687-L1717 HydrophobicContact CG-CD1 4.07Å; F1687-L1717 HydrophobicContact CZ-CB 4.4Å; F1690-L1717 HydrophobicContact CB-CD2 3.6Å; F1690-L1717 HydrophobicContact CD2-CD2 3.81Å; F1690-L1717 HydrophobicContact CG-CD2 4.22Å; T1691-L1717 HydrophobicContact CG2-CD1 4.41Å; T1691-L1717 HydrophobicContact CG2-CD2 4.45Å; M1694-L1717 HydrophobicContact CE-CD2 4.31Å; T1713-L1717 PolarHBondContact O-N 2.91Å; V1714-L1717 PolarHBondContact O-N 3.21Å; L1717-S1719 VanDerWaalsContact C-N 3.32Å; L1717-S1719 PolarHBondContact O-N 3.17Å; L1717-L1720 WeakPolarHBondContact O-CB 3.38Å; L1717-L1720 PolarHBondContact O-N 2.93Å; L1717-L1720 VanDerWaalsContact O-N 3.1Å; L1717-L1721 HydrophobicContact CD1-CD1 4.14Å; L1717-L1721 HydrophobicContact CD1-CG 4.43Å; L1717-L1721 HydrophobicContact CG-CD1 4.04Å; L1717-L1721 WeakPolarHBondContact O-CD1 3.5Å; L1717-L1721 WeakPolarHBondContact O-CG 3.37Å; L1717-L1721 PolarHBondContact O-N 3.24Å; L1717-L1721 VanDerWaalsContact O-N 3.09Å; L1717-W1752 HydrophobicContact CB-CZ3 4.16Å; L1717-W1752 HydrophobicContact CD2-CH2 3.95Å; L1717-W1752 HydrophobicContact CD2-CZ3 4.03Å; L1717-W1752 HydrophobicContact CG-CH2 3.86Å; L1717-W1752 HydrophobicContact CG-CZ3 3.91Å
1718G90.8Very high87.5Confident0 Ų018.2 Ų18.20%010%0.101CC..Hα-helixtrans-60.2-42.4177.200000112.3V1714 K1715 A1716 L1720 L1721 G1722 R1723V1714-G1718 PolarHBondContact O-N 3.1Å; K1715-G1718 PolarHBondContact O-N 3.09Å; A1716-G1718 PolarHBondContact O-N 3.16Å; G1718-L1720 VanDerWaalsContact C-N 3.34Å; G1718-L1720 PolarHBondContact O-N 3.26Å; G1718-L1721 CarbonylContact O-C 3.55Å; G1718-L1721 PolarHBondContact O-N 3.17Å; G1718-L1721 VanDerWaalsContact O-N 3.15Å; G1718-G1722 PolarHBondContact O-N 3.09Å; G1718-G1722 VanDerWaalsContact O-N 3.11Å; G1718-R1723 CarbonylContact C-O 3.52Å; G1718-R1723 VanDerWaalsContact C-O 3.26Å; G1718-R1723 PolarHBondContact O-N 3.22Å; G1718-R1723 VanDerWaalsContact O-O 3.13Å
1719S89.3Confident87.7Confident14.8 Ų14.821.6 Ų21.610%0.10312%0.118CC..Hα-helixtrans-62.4-40.9174.1179.40000112.3R1676 K1715 A1716 L1717 L1721 G1722R1676-S1719 PolarHBondContact NH1-OG 2.84Å; K1715-S1719 WeakPolarHBondContact O-CB 3.38Å; K1715-S1719 PolarHBondContact O-N 3.07Å; A1716-S1719 WeakPolarHBondContact O-CB 3.39Å; A1716-S1719 PolarHBondContact O-N 3.35Å; L1717-S1719 VanDerWaalsContact C-N 3.32Å; L1717-S1719 PolarHBondContact O-N 3.17Å; S1719-L1721 VanDerWaalsContact C-N 3.26Å; S1719-L1721 PolarHBondContact O-N 3.13Å; S1719-G1722 PolarHBondContact O-N 3.07Å; S1719-G1722 VanDerWaalsContact O-N 3.15Å
1720L90.6Very high87.6Confident11.4 Ų11.420.9 Ų20.96%0.0611%0.11CC..Hα-helixtrans-62.5-31.5175.1-67.2177.4000112.8L1645 F1647 I1657 Y1666 F1687 A1716 L1717 G1718 G1722L1645-L1720 HydrophobicContact CD1-CD1 4.09Å; L1645-L1720 HydrophobicContact CD2-CB 4.15Å; L1645-L1720 HydrophobicContact CD2-CD1 3.83Å; F1647-L1720 WeakPolarHBondContact CE1-O 3.47Å; I1657-L1720 WeakPolarHBondContact CD1-O 3.36Å; Y1666-L1720 VanDerWaalsContact CE2-O 3.29Å; Y1666-L1720 WeakPolarHBondContact CE2-O 3.28Å; F1687-L1720 HydrophobicContact CD2-CD1 4.42Å; F1687-L1720 HydrophobicContact CE2-CD1 3.81Å; F1687-L1720 HydrophobicContact CZ-CD1 4.12Å; A1716-L1720 VanDerWaalsContact O-CG 3.25Å; A1716-L1720 WeakPolarHBondContact O-CG 3.41Å; A1716-L1720 PolarHBondContact O-N 3.06Å; L1717-L1720 WeakPolarHBondContact O-CB 3.38Å; L1717-L1720 PolarHBondContact O-N 2.93Å; L1717-L1720 VanDerWaalsContact O-N 3.1Å; G1718-L1720 VanDerWaalsContact C-N 3.34Å; G1718-L1720 PolarHBondContact O-N 3.26Å; L1720-G1722 VanDerWaalsContact C-N 3.33Å
1721L91.6Very high87.1Confident0.6 Ų0.622.5 Ų22.50%0.00312%0.12CC..THydrogen-bonded Turntrans-87.9-1.7176.4-67.5160000113.3I1657 F1664 Y1666 G1667 M1694 L1717 G1718 S1719 R1723 W1752I1657-L1721 HydrophobicContact CB-CD2 4.09Å; I1657-L1721 HydrophobicContact CD1-CB 4.26Å; I1657-L1721 HydrophobicContact CD1-CD2 3.59Å; I1657-L1721 HydrophobicContact CD1-CG 4.23Å; I1657-L1721 HydrophobicContact CG1-CD2 4.42Å; I1657-L1721 HydrophobicContact CG2-CD2 4.04Å; F1664-L1721 HydrophobicContact CB-CD2 3.89Å; F1664-L1721 VanDerWaalsContact CB-CD2 3.44Å; F1664-L1721 HydrophobicContact CD2-CD2 4.32Å; F1664-L1721 HydrophobicContact CG-CD2 4.2Å; Y1666-L1721 WeakPolarHBondContact CA-O 3.27Å; Y1666-L1721 VanDerWaalsContact CD2-C 3.46Å; Y1666-L1721 VanDerWaalsContact CD2-O 3.23Å; Y1666-L1721 WeakPolarHBondContact CD2-O 3.39Å; Y1666-L1721 VanDerWaalsContact CE2-C 3.4Å; G1667-L1721 PolarHBondContact N-O 3.06Å; G1667-L1721 VanDerWaalsContact N-O 3.09Å; M1694-L1721 HydrophobicContact CE-CD1 4.23Å; L1717-L1721 HydrophobicContact CD1-CD1 4.14Å; L1717-L1721 HydrophobicContact CD1-CG 4.43Å; L1717-L1721 HydrophobicContact CG-CD1 4.04Å; L1717-L1721 WeakPolarHBondContact O-CD1 3.5Å; L1717-L1721 WeakPolarHBondContact O-CG 3.37Å; L1717-L1721 PolarHBondContact O-N 3.24Å; L1717-L1721 VanDerWaalsContact O-N 3.09Å; G1718-L1721 CarbonylContact O-C 3.55Å; G1718-L1721 PolarHBondContact O-N 3.17Å; G1718-L1721 VanDerWaalsContact O-N 3.15Å; S1719-L1721 VanDerWaalsContact C-N 3.26Å; S1719-L1721 PolarHBondContact O-N 3.13Å; L1721-R1723 HydrophobicContact CB-CG 4.29Å; L1721-W1752 HydrophobicContact CD1-CH2 3.23Å; L1721-W1752 HydrophobicContact CD1-CZ2 3.41Å; L1721-W1752 VanDerWaalsContact CD1-CZ2 3.4Å; L1721-W1752 HydrophobicContact CD1-CZ3 4.32Å
1722G89.8Confident86.5Confident0 Ų026.2 Ų26.20%014%0.136CC..THydrogen-bonded Turntrans67.340.5-17900000112.6Y1666 G1667 F1668 E1669 G1718 S1719 L1720Y1666-G1722 VanDerWaalsContact CE2-CA 3.44Å; Y1666-G1722 VanDerWaalsContact CE2-N 3.27Å; Y1666-G1722 VanDerWaalsContact CZ-CA 3.42Å; Y1666-G1722 WeakPolarHBondContact OH-CA 3.33Å; G1667-G1722 CarbonylContact C-O 3.56Å; G1667-G1722 VanDerWaalsContact CA-O 3.27Å; G1667-G1722 WeakPolarHBondContact CA-O 3.41Å; F1668-G1722 PolarHBondContact N-O 3.17Å; E1669-G1722 VanDerWaalsContact CB-O 3.28Å; E1669-G1722 WeakPolarHBondContact CB-O 3.39Å; E1669-G1722 PolarHBondContact N-O 3.03Å; E1669-G1722 VanDerWaalsContact N-O 3.13Å; G1718-G1722 PolarHBondContact O-N 3.09Å; G1718-G1722 VanDerWaalsContact O-N 3.11Å; S1719-G1722 PolarHBondContact O-N 3.07Å; S1719-G1722 VanDerWaalsContact O-N 3.15Å; L1720-G1722 VanDerWaalsContact C-N 3.33Å
1723R89.4Confident85.7Confident19.4 Ų19.426.3 Ų26.37%0.07315%0.145CC..  trans-126.4146.3-177.3-61.9-178-178.2-92.6-5.1110.9K1665 G1718 L1721 G1750 N1799K1665-R1723 PolarHBondContact O-NH2 3.05Å; G1718-R1723 CarbonylContact C-O 3.52Å; G1718-R1723 VanDerWaalsContact C-O 3.26Å; G1718-R1723 PolarHBondContact O-N 3.22Å; G1718-R1723 VanDerWaalsContact O-O 3.13Å; L1721-R1723 HydrophobicContact CB-CG 4.29Å; R1723-G1750 PolarHBondContact NH1-O 3.26Å; R1723-N1799 VanDerWaalsContact CZ-CB 3.44Å; R1723-N1799 VanDerWaalsContact NH1-CA 3.3Å; R1723-N1799 VanDerWaalsContact NH1-CB 3.31Å; R1723-N1799 PolarHBondContact NH1-O 3.41Å; R1723-N1799 VanDerWaalsContact NH2-CG 3.26Å; R1723-N1799 PolarHBondContact NH2-OD1 2.98Å; R1723-N1799 VanDerWaalsContact NH2-OD1 3.08Å
1724T86.7Confident84.9Confident12.2 Ų12.227.2 Ų27.28%0.07515%0.153CC..  trans-74.8136.1171.9300000111.8P1483 E1669 A1751 W1752P1483-T1724 HydrophobicContact CG-CG2 4.25Å; E1669-T1724 VanDerWaalsContact CD-CB 3.44Å; E1669-T1724 VanDerWaalsContact CD-OG1 3.23Å; E1669-T1724 HydrophobicContact CG-CG2 3.68Å; E1669-T1724 WeakPolarHBondContact CG-OG1 3.38Å; E1669-T1724 VanDerWaalsContact OE1-CB 3.25Å; E1669-T1724 WeakPolarHBondContact OE1-CB 3.19Å; E1669-T1724 WeakPolarHBondContact OE1-CG2 3.31Å; E1669-T1724 PolarHBondContact OE1-OG1 3.25Å; E1669-T1724 VanDerWaalsContact OE2-CB 3.29Å; E1669-T1724 WeakPolarHBondContact OE2-CB 3.44Å; E1669-T1724 VanDerWaalsContact OE2-CG2 3.31Å; E1669-T1724 WeakPolarHBondContact OE2-CG2 3.41Å; E1669-T1724 PolarHBondContact OE2-N 3.01Å; E1669-T1724 PolarHBondContact OE2-OG1 3.09Å; T1724-A1751 WeakPolarHBondContact OG1-CB 3.32Å; T1724-W1752 PolarHBondContact O-N 3.01Å; T1724-W1752 VanDerWaalsContact O-N 3.07Å
1725V88Confident84.2Confident28.6 Ų28.630.7 Ų30.717%0.17317%0.171CC..EExtended strand (participates in β ladder)trans-111.6112.6171.7-175.50000108.1V1714 K1715 V1727 W1752 C1754V1714-V1725 HydrophobicContact CG1-CG1 4.08Å; K1715-V1725 HydrophobicContact CG-CB 4.41Å; K1715-V1725 HydrophobicContact CG-CG1 4.29Å; V1725-V1727 HydrophobicContact CG1-CG2 4.41Å; V1725-W1752 CarbonylContact C-O 3.55Å; V1725-W1752 WeakPolarHBondContact CA-O 3.43Å; V1725-W1752 HydrophobicContact CB-CB 4.47Å; V1725-W1752 HydrophobicContact CG1-CB 4.43Å; V1725-W1752 HydrophobicContact CG2-CB 4.12Å; V1725-W1752 HydrophobicContact CG2-CE3 4.09Å; V1725-C1754 HydrophobicContact CG1-CB 4.01Å
1726H85.6Confident83.8Confident15.8 Ų15.829.4 Ų29.47%0.07317%0.168CC..EExtended strand (participates in β ladder)trans-87.1117.7171.8-65.3-81.9000109.1F1455 F1728 L1746 W1752 C1754F1455-H1726 AromaticContact CD2-CE1 3.79Å; F1455-H1726 AromaticContact CD2-NE2 3.84Å; F1455-H1726 AromaticContact CE2-CD2 3.99Å; F1455-H1726 AromaticContact CE2-CE1 3.84Å; F1455-H1726 AromaticContact CE2-NE2 3.71Å; H1726-F1728 HydrophobicContact CB-CD2 4.42Å; H1726-F1728 HydrophobicContact CB-CE1 4.46Å; H1726-F1728 HydrophobicContact CB-CE2 3.56Å; H1726-F1728 HydrophobicContact CB-CZ 3.67Å; H1726-L1746 HydrophobicContact CB-CD2 4.29Å; H1726-W1752 PolarHBondContact N-O 3.08Å; H1726-C1754 PolarHBondContact O-N 2.93Å
1727V83.8Confident83.2Confident38.2 Ų38.236.4 Ų36.423%0.23219%0.191CC..EExtended strand (participates in β ladder)trans-93127.5172.7-175.10000109.3T1711 K1715 V1725 C1754 D1756 R2115T1711-V1727 HydrophobicContact CG2-CG1 3.87Å; T1711-V1727 HydrophobicContact CG2-CG2 3.87Å; K1715-V1727 HydrophobicContact CD-CG2 4.39Å; K1715-V1727 HydrophobicContact CG-CG2 4.32Å; V1725-V1727 HydrophobicContact CG1-CG2 4.41Å; V1727-C1754 CarbonylContact C-O 3.51Å; V1727-C1754 VanDerWaalsContact CA-O 3.31Å; V1727-C1754 WeakPolarHBondContact CA-O 3.42Å; V1727-C1754 HydrophobicContact CG2-CB 4.19Å; V1727-D1756 HydrophobicContact CG1-CB 4.26Å; V1727-R2115 PolarHBondContact O-NH2 2.79Å
1728F82.6Confident82.4Confident22.4 Ų22.438.7 Ų38.710%0.09821%0.207CC..EExtended strand (participates in β ladder)trans-117123.2175.9-59.2-78.9000108.4F1455 H1726 M1742 L1746 C1754 F1755 D1756F1455-F1728 HydrophobicContact CD1-CE1 4.38Å; F1455-F1728 AromaticContact CD1-CZ 3.86Å; F1455-F1728 HydrophobicContact CD1-CZ 3.86Å; F1455-F1728 AromaticContact CE1-CZ 3.89Å; F1455-F1728 HydrophobicContact CE1-CZ 3.95Å; H1726-F1728 HydrophobicContact CB-CD2 4.42Å; H1726-F1728 HydrophobicContact CB-CE1 4.46Å; H1726-F1728 HydrophobicContact CB-CE2 3.56Å; H1726-F1728 HydrophobicContact CB-CZ 3.67Å; F1728-M1742 HydrophobicContact CD1-CE 4.26Å; F1728-M1742 HydrophobicContact CD1-CG 4.46Å; F1728-M1742 HydrophobicContact CD1-SD 3.54Å; F1728-M1742 VanDerWaalsContact CD1-SD 3.58Å; F1728-M1742 WeakPolarHBondContact CD1-SD 3.44Å; F1728-M1742 HydrophobicContact CD2-SD 4.47Å; F1728-M1742 HydrophobicContact CE1-CE 4.36Å; F1728-M1742 HydrophobicContact CE1-CG 4.1Å; F1728-M1742 HydrophobicContact CE1-SD 3.67Å; F1728-M1742 WeakPolarHBondContact CE1-SD 3.19Å; F1728-M1742 HydrophobicContact CG-SD 4.06Å; F1728-M1742 HydrophobicContact CZ-CB 4.43Å; F1728-M1742 HydrophobicContact CZ-CG 4.33Å; F1728-M1742 HydrophobicContact CZ-SD 4.28Å; F1728-L1746 HydrophobicContact CE2-CD1 4.21Å; F1728-L1746 HydrophobicContact CE2-CD2 4.34Å; F1728-L1746 HydrophobicContact CE2-CG 4.46Å; F1728-C1754 PolarHBondContact N-O 3.33Å; F1728-F1755 HydrophobicContact CB-CD1 3.88Å; F1728-F1755 HydrophobicContact CB-CE1 4.13Å; F1728-F1755 HydrophobicContact CD2-CD1 4.14Å; F1728-F1755 AromaticContact CD2-CE1 3.77Å; F1728-F1755 HydrophobicContact CD2-CE1 3.77Å; F1728-F1755 HydrophobicContact CD2-CE2 4.49Å; F1728-F1755 AromaticContact CD2-CZ 3.91Å; F1728-F1755 HydrophobicContact CD2-CZ 4.01Å; F1728-F1755 HydrophobicContact CE2-CE1 4.48Å; F1728-F1755 HydrophobicContact CE2-CZ 4.41Å; F1728-F1755 HydrophobicContact CG-CD1 4.33Å; F1728-F1755 HydrophobicContact CG-CE1 4.12Å; F1728-F1755 CarbonylContact O-C 3.53Å; F1728-F1755 WeakPolarHBondContact O-CA 3.32Å; F1728-D1756 PolarHBondContact O-N 3.23Å
1729N80.1Confident82Confident85.2 Ų85.239 Ų3946%0.45621%0.208SC..EExtended strand (participates in β ladder)trans-81.5123.3172.1-100.92.9000108.2A2097 T2109N1729-A2097 PolarHBondContact ND2-O 3.28Å; N1729-T2109 WeakPolarHBondContact CB-OG1 3.42Å
1730C80.4Confident81.6Confident5 Ų538.4 Ų38.43%0.03420%0.204CC..  trans-89.7134178.1-650000110.6D1756 R1760 L1761C1730-D1756 WeakPolarHBondContact CB-O 3.35Å; C1730-D1756 PolarHBondContact N-O 3.17Å; C1730-D1756 VanDerWaalsContact N-O 3.13Å; C1730-D1756 PolarHBondContact SG-O 2.98Å; C1730-R1760 WeakPolarHBondContact O-CB 3.31Å; C1730-R1760 VanDerWaalsContact O-CD 3.28Å; C1730-R1760 WeakPolarHBondContact O-CD 3.43Å; C1730-R1760 PolarHBondContact O-NE 3.19Å; C1730-L1761 HydrophobicContact CB-CD1 4.36Å; C1730-L1761 HydrophobicContact CB-CD2 3.86Å; C1730-L1761 HydrophobicContact CB-CG 3.89Å
1731D76.2Confident81.1Confident46.2 Ų46.239.8 Ų39.825%0.24721%0.209CC..  trans-130.4167.8174-28.34.6000110.4S1733 A1734 R1760 L1761 A2097 T2111D1731-S1733 VanDerWaalsContact CG-OG 3.31Å; D1731-S1733 PolarHBondContact O-N 3.03Å; D1731-S1733 VanDerWaalsContact O-N 3.14Å; D1731-S1733 WeakPolarHBondContact OD1-CA 3.31Å; D1731-S1733 WeakPolarHBondContact OD1-CB 3.29Å; D1731-S1733 PolarHBondContact OD1-N 3.35Å; D1731-S1733 PolarHBondContact OD1-OG 2.9Å; D1731-S1733 PolarHBondContact OD2-OG 3.01Å; D1731-A1734 VanDerWaalsContact O-CB 3.28Å; D1731-A1734 WeakPolarHBondContact O-CB 3.38Å; D1731-A1734 PolarHBondContact O-N 3.27Å; D1731-A1734 VanDerWaalsContact O-N 3.1Å; D1731-A1734 PolarHBondContact OD1-N 3.07Å; D1731-A1734 VanDerWaalsContact OD1-N 3.11Å; D1731-R1760 IonicContact OD1-CZ 3.35Å; D1731-R1760 IonicContact OD1-NE 3.05Å; D1731-R1760 PolarHBondContact OD1-NE 3.31Å; D1731-R1760 IonicContact OD1-NH1 3.54Å; D1731-R1760 PolarHBondContact OD1-NH1 3.21Å; D1731-R1760 IonicContact OD1-NH2 3.64Å; D1731-R1760 PolarHBondContact OD1-NH2 3.32Å; D1731-L1761 WeakPolarHBondContact O-CD2 3.3Å; D1731-A2097 WeakPolarHBondContact OD2-CB 3.06Å; D1731-T2111 HydrophobicContact CB-CG2 4.45Å
1732E72.6Confident80.7Confident92.8 Ų92.841.7 Ų41.743%0.43422%0.218SC..THydrogen-bonded Turntrans-61.7-25.4-178.4-67.6174.8174.100113A1734 R1760 K2049E1732-A1734 VanDerWaalsContact C-N 3.29Å; E1732-A1734 PolarHBondContact O-N 3.1Å; E1732-R1760 WeakPolarHBondContact CA-O 3.45Å; E1732-R1760 VanDerWaalsContact CG-O 3.22Å; E1732-R1760 WeakPolarHBondContact CG-O 3.36Å; E1732-R1760 PolarHBondContact N-O 3.17Å; E1732-K2049 IonicContact OE2-NZ 3.83Å; E1732-K2049 PolarHBondContact OE2-NZ 2.79Å
1733S69.7Low80.6Confident82 Ų8241.7 Ų41.757%0.57322%0.218SC*.THydrogen-bonded Turntrans-85.34-17962.10000114.3D1731 D1735 T2111D1731-S1733 VanDerWaalsContact CG-OG 3.31Å; D1731-S1733 PolarHBondContact O-N 3.03Å; D1731-S1733 VanDerWaalsContact O-N 3.14Å; D1731-S1733 WeakPolarHBondContact OD1-CA 3.31Å; D1731-S1733 WeakPolarHBondContact OD1-CB 3.29Å; D1731-S1733 PolarHBondContact OD1-N 3.35Å; D1731-S1733 PolarHBondContact OD1-OG 2.9Å; D1731-S1733 PolarHBondContact OD2-OG 3.01Å; S1733-D1735 PolarHBondContact O-N 3.16Å; S1733-T2111 VanDerWaalsContact OG-CG2 3.31Å; S1733-T2111 WeakPolarHBondContact OG-CG2 3.31Å
1734A73Confident80.3Confident20.4 Ų20.441.1 Ų41.117%0.16922%0.217CC..  trans-69.1121.4-178.200000111.9D1731 E1732 L1761D1731-A1734 VanDerWaalsContact O-CB 3.28Å; D1731-A1734 WeakPolarHBondContact O-CB 3.38Å; D1731-A1734 PolarHBondContact O-N 3.27Å; D1731-A1734 VanDerWaalsContact O-N 3.1Å; D1731-A1734 PolarHBondContact OD1-N 3.07Å; D1731-A1734 VanDerWaalsContact OD1-N 3.11Å; E1732-A1734 VanDerWaalsContact C-N 3.29Å; E1732-A1734 PolarHBondContact O-N 3.1Å; A1734-L1761 HydrophobicContact CB-CD2 3.49Å
1735D77Confident80.2Confident73 Ų7340.5 Ų40.539%0.3921%0.213SC..  trans-81142.5179.1175.840.9000112.7S1733 R1737 S1738 M1739S1733-D1735 PolarHBondContact O-N 3.16Å; D1735-R1737 VanDerWaalsContact C-N 3.32Å; D1735-R1737 PolarHBondContact O-N 3.14Å; D1735-R1737 PolarHBondContact OD1-N 3.21Å; D1735-R1737 WeakPolarHBondContact OD2-CB 3.28Å; D1735-R1737 WeakPolarHBondContact OD2-CG 3.39Å; D1735-R1737 PolarHBondContact OD2-N 3.26Å; D1735-S1738 PolarHBondContact O-N 3.28Å; D1735-S1738 PolarHBondContact OD2-N 3.16Å; D1735-S1738 PolarHBondContact OD2-OG 2.91Å; D1735-S1738 VanDerWaalsContact OD2-OG 3.09Å; D1735-M1739 WeakPolarHBondContact O-CG 3.38Å; D1735-M1739 PolarHBondContact O-N 2.88Å; D1735-M1739 VanDerWaalsContact O-N 3.08Å
1736V80.7Confident80.2Confident32.4 Ų32.439.2 Ų39.220%0.19621%0.206CC..Hα-helixtrans-56.8-42.3177.4177.70000111.4M1739 A1740 V1765 V1768V1736-M1739 PolarHBondContact O-N 3.27Å; V1736-A1740 VanDerWaalsContact O-CB 3.31Å; V1736-A1740 WeakPolarHBondContact O-CB 3.42Å; V1736-A1740 PolarHBondContact O-N 3.17Å; V1736-V1765 HydrophobicContact CG2-CB 4.23Å; V1736-V1765 HydrophobicContact CG2-CG1 3.98Å; V1736-V1765 HydrophobicContact CG2-CG2 4Å; V1736-V1768 HydrophobicContact CG1-CB 4.07Å; V1736-V1768 HydrophobicContact CG1-CG1 3.48Å; V1736-V1768 VanDerWaalsContact CG1-CG1 3.47Å; V1736-V1768 HydrophobicContact CG2-CB 4.43Å
1737R76.8Confident80.3Confident164 Ų16438.6 Ų38.662%0.61920%0.203SC*.Hα-helixtrans-69.7-38.7-177-57.4-172.9-164.4-173.11.3111.3D1735 M1739 A1740 R1741D1735-R1737 VanDerWaalsContact C-N 3.32Å; D1735-R1737 PolarHBondContact O-N 3.14Å; D1735-R1737 PolarHBondContact OD1-N 3.21Å; D1735-R1737 WeakPolarHBondContact OD2-CB 3.28Å; D1735-R1737 WeakPolarHBondContact OD2-CG 3.39Å; D1735-R1737 PolarHBondContact OD2-N 3.26Å; R1737-M1739 VanDerWaalsContact C-N 3.34Å; R1737-M1739 PolarHBondContact O-N 3Å; R1737-A1740 PolarHBondContact O-N 2.86Å; R1737-R1741 VanDerWaalsContact O-CB 3.27Å; R1737-R1741 WeakPolarHBondContact O-CB 3.29Å; R1737-R1741 PolarHBondContact O-N 3.13Å
1738S76Confident80.5Confident47.8 Ų47.837.9 Ų37.933%0.33420%0.197SC..Hα-helixtrans-61.4-45.6174.4-63.90000111.4D1735 A1740 R1741 M1742D1735-S1738 PolarHBondContact O-N 3.28Å; D1735-S1738 PolarHBondContact OD2-N 3.16Å; D1735-S1738 PolarHBondContact OD2-OG 2.91Å; D1735-S1738 VanDerWaalsContact OD2-OG 3.09Å; S1738-A1740 PolarHBondContact O-N 2.99Å; S1738-R1741 WeakPolarHBondContact O-CB 3.38Å; S1738-R1741 PolarHBondContact O-N 3.16Å; S1738-M1742 VanDerWaalsContact O-CG 3.31Å; S1738-M1742 WeakPolarHBondContact O-CG 3.39Å; S1738-M1742 PolarHBondContact O-N 3.25Å
1739M82.4Confident80.5Confident7.2 Ų7.238.4 Ų38.44%0.03520%0.203CC..Hα-helixtrans-63.8-44176.9-69.4-69.2-78.400112.1D1735 V1736 R1737 R1741 M1742 F1743 F1755 F1758 L1761 I1769D1735-M1739 WeakPolarHBondContact O-CG 3.38Å; D1735-M1739 PolarHBondContact O-N 2.88Å; D1735-M1739 VanDerWaalsContact O-N 3.08Å; V1736-M1739 PolarHBondContact O-N 3.27Å; R1737-M1739 VanDerWaalsContact C-N 3.34Å; R1737-M1739 PolarHBondContact O-N 3Å; M1739-R1741 VanDerWaalsContact C-N 3.32Å; M1739-R1741 PolarHBondContact O-N 3.22Å; M1739-M1742 WeakPolarHBondContact O-CB 3.38Å; M1739-M1742 PolarHBondContact O-N 3.07Å; M1739-M1742 VanDerWaalsContact O-N 3.11Å; M1739-M1742 HydrophobicContact SD-CE 4.11Å; M1739-M1742 HydrophobicContact SD-SD 4.15Å; M1739-F1743 HydrophobicContact CB-CE2 4.33Å; M1739-F1743 HydrophobicContact CE-CE2 4.45Å; M1739-F1743 HydrophobicContact CE-CZ 4.39Å; M1739-F1743 WeakPolarHBondContact O-CD2 3.32Å; M1739-F1743 WeakPolarHBondContact O-CG 3.4Å; M1739-F1743 PolarHBondContact O-N 3.02Å; M1739-F1755 HydrophobicContact CE-CD1 3.49Å; M1739-F1755 VanDerWaalsContact CE-CD1 3.45Å; M1739-F1755 HydrophobicContact CE-CE1 3.49Å; M1739-F1755 VanDerWaalsContact CE-CE1 3.47Å; M1739-F1755 HydrophobicContact CE-CG 4.44Å; M1739-F1755 HydrophobicContact CE-CZ 4.46Å; M1739-F1755 HydrophobicContact SD-CD1 4.26Å; M1739-F1755 HydrophobicContact SD-CE1 3.94Å; M1739-F1758 HydrophobicContact CE-CE2 4.4Å; M1739-L1761 HydrophobicContact CE-CD1 4.15Å; M1739-I1769 HydrophobicContact CB-CD1 3.9Å; M1739-I1769 HydrophobicContact CB-CG1 4.18Å; M1739-I1769 HydrophobicContact CE-CD1 3.74Å; M1739-I1769 HydrophobicContact CG-CD1 3.87Å
1740A81.6Confident80.8Confident1.2 Ų1.234.6 Ų34.61%0.0118%0.184CC..Hα-helixtrans-64.7-35.8176.300000113V1736 R1737 S1738 F1743 A1744 L1790V1736-A1740 VanDerWaalsContact O-CB 3.31Å; V1736-A1740 WeakPolarHBondContact O-CB 3.42Å; V1736-A1740 PolarHBondContact O-N 3.17Å; R1737-A1740 PolarHBondContact O-N 2.86Å; S1738-A1740 PolarHBondContact O-N 2.99Å; A1740-F1743 PolarHBondContact O-N 3.25Å; A1740-A1744 WeakPolarHBondContact O-CB 3.31Å; A1740-A1744 PolarHBondContact O-N 3.13Å; A1740-A1744 VanDerWaalsContact O-N 3.1Å; A1740-L1790 HydrophobicContact CB-CD1 3.56Å; A1740-L1790 HydrophobicContact CB-CD2 3.58Å; A1740-L1790 VanDerWaalsContact CB-CD2 3.47Å; A1740-L1790 HydrophobicContact CB-CG 3.58Å
1741R78.5Confident81.1Confident42.4 Ų42.434.4 Ų34.416%0.1618%0.183CC..Hα-helixtrans-61.5-44.3169.9176.4-173.5163169-6.5111.2R1447 F1453 Y1454 V1456 D1458 R1737 S1738 M1739 F1743 A1744 G1745R1447-R1741 VanDerWaalsContact CZ-CZ 3.43Å; R1447-R1741 VanDerWaalsContact NH1-NH1 3.13Å; R1447-R1741 VanDerWaalsContact NH2-NH2 3.11Å; F1453-R1741 PolarHBondContact O-NH2 3.31Å; Y1454-R1741 HydrophobicContact CD1-CG 3.63Å; Y1454-R1741 WeakPolarHBondContact CD1-O 3.44Å; Y1454-R1741 HydrophobicContact CE1-CG 4.29Å; Y1454-R1741 PolarHBondContact O-NE 3.29Å; Y1454-R1741 PolarHBondContact O-NH2 3.16Å; Y1454-R1741 VanDerWaalsContact O-NH2 3.16Å; V1456-R1741 PolarHBondContact O-NH2 3.25Å; D1458-R1741 IonicContact OD1-CZ 3.34Å; D1458-R1741 IonicContact OD1-NH1 3.67Å; D1458-R1741 PolarHBondContact OD1-NH1 3.1Å; D1458-R1741 IonicContact OD1-NH2 3.63Å; D1458-R1741 PolarHBondContact OD1-NH2 2.64Å; D1458-R1741 IonicContact OD2-NH1 3.34Å; R1737-R1741 VanDerWaalsContact O-CB 3.27Å; R1737-R1741 WeakPolarHBondContact O-CB 3.29Å; R1737-R1741 PolarHBondContact O-N 3.13Å; S1738-R1741 WeakPolarHBondContact O-CB 3.38Å; S1738-R1741 PolarHBondContact O-N 3.16Å; M1739-R1741 VanDerWaalsContact C-N 3.32Å; M1739-R1741 PolarHBondContact O-N 3.22Å; R1741-F1743 VanDerWaalsContact C-N 3.3Å; R1741-F1743 PolarHBondContact O-N 3Å; R1741-A1744 PolarHBondContact O-N 3.12Å; R1741-G1745 PolarHBondContact O-N 3.01Å; R1741-G1745 VanDerWaalsContact O-N 3.08Å
1742M83.2Confident81.8Confident38.8 Ų38.832.2 Ų32.219%0.19117%0.171CC..Hα-helixtrans-61.7-44.3176-67.2174-16100111.5F1728 S1738 M1739 A1744 G1745 L1746 F1755F1728-M1742 HydrophobicContact CD1-CE 4.26Å; F1728-M1742 HydrophobicContact CD1-CG 4.46Å; F1728-M1742 HydrophobicContact CD1-SD 3.54Å; F1728-M1742 VanDerWaalsContact CD1-SD 3.58Å; F1728-M1742 WeakPolarHBondContact CD1-SD 3.44Å; F1728-M1742 HydrophobicContact CD2-SD 4.47Å; F1728-M1742 HydrophobicContact CE1-CE 4.36Å; F1728-M1742 HydrophobicContact CE1-CG 4.1Å; F1728-M1742 HydrophobicContact CE1-SD 3.67Å; F1728-M1742 WeakPolarHBondContact CE1-SD 3.19Å; F1728-M1742 HydrophobicContact CG-SD 4.06Å; F1728-M1742 HydrophobicContact CZ-CB 4.43Å; F1728-M1742 HydrophobicContact CZ-CG 4.33Å; F1728-M1742 HydrophobicContact CZ-SD 4.28Å; S1738-M1742 VanDerWaalsContact O-CG 3.31Å; S1738-M1742 WeakPolarHBondContact O-CG 3.39Å; S1738-M1742 PolarHBondContact O-N 3.25Å; M1739-M1742 WeakPolarHBondContact O-CB 3.38Å; M1739-M1742 PolarHBondContact O-N 3.07Å; M1739-M1742 VanDerWaalsContact O-N 3.11Å; M1739-M1742 HydrophobicContact SD-CE 4.11Å; M1739-M1742 HydrophobicContact SD-SD 4.15Å; M1742-A1744 VanDerWaalsContact C-N 3.34Å; M1742-A1744 PolarHBondContact O-N 3.1Å; M1742-G1745 PolarHBondContact O-N 3.13Å; M1742-G1745 VanDerWaalsContact O-N 3.17Å; M1742-L1746 WeakPolarHBondContact O-CG 3.35Å; M1742-L1746 PolarHBondContact O-N 3.06Å; M1742-F1755 HydrophobicContact SD-CE1 4.42Å
1743F87.8Confident82.6Confident0.4 Ų0.427.8 Ų27.80%0.00215%0.15CC..Hα-helixtrans-60.1-43.4175.6-69.6-54.2000112.4M1739 A1740 R1741 G1745 L1746 V1747 F1755 I1769 H1772 I1773 I1776 I1802M1739-F1743 HydrophobicContact CB-CE2 4.33Å; M1739-F1743 HydrophobicContact CE-CE2 4.45Å; M1739-F1743 HydrophobicContact CE-CZ 4.39Å; M1739-F1743 WeakPolarHBondContact O-CD2 3.32Å; M1739-F1743 WeakPolarHBondContact O-CG 3.4Å; M1739-F1743 PolarHBondContact O-N 3.02Å; A1740-F1743 PolarHBondContact O-N 3.25Å; R1741-F1743 VanDerWaalsContact C-N 3.3Å; R1741-F1743 PolarHBondContact O-N 3Å; F1743-G1745 VanDerWaalsContact C-N 3.32Å; F1743-G1745 PolarHBondContact O-N 3.22Å; F1743-L1746 HydrophobicContact CD1-CD1 4.36Å; F1743-L1746 PolarHBondContact O-N 3.07Å; F1743-V1747 VanDerWaalsContact O-CB 3.27Å; F1743-V1747 WeakPolarHBondContact O-CB 3.37Å; F1743-V1747 VanDerWaalsContact O-CG2 3.25Å; F1743-V1747 WeakPolarHBondContact O-CG2 3.39Å; F1743-V1747 PolarHBondContact O-N 3.12Å; F1743-F1755 HydrophobicContact CD1-CE2 4.12Å; F1743-F1755 AromaticContact CD1-CZ 3.91Å; F1743-F1755 HydrophobicContact CD1-CZ 3.91Å; F1743-F1755 HydrophobicContact CE1-CD2 4.27Å; F1743-F1755 HydrophobicContact CE1-CE1 4.29Å; F1743-F1755 AromaticContact CE1-CE2 3.31Å; F1743-F1755 HydrophobicContact CE1-CE2 3.31Å; F1743-F1755 AromaticContact CE1-CZ 3.3Å; F1743-F1755 HydrophobicContact CE1-CZ 3.3Å; F1743-F1755 HydrophobicContact CE2-CZ 4.34Å; F1743-F1755 HydrophobicContact CZ-CD2 4.49Å; F1743-F1755 HydrophobicContact CZ-CE1 4.29Å; F1743-F1755 AromaticContact CZ-CE2 3.85Å; F1743-F1755 HydrophobicContact CZ-CE2 3.93Å; F1743-F1755 AromaticContact CZ-CZ 3.71Å; F1743-F1755 HydrophobicContact CZ-CZ 3.71Å; F1743-I1769 HydrophobicContact CE2-CB 4.46Å; F1743-I1769 HydrophobicContact CE2-CG1 4.4Å; F1743-I1769 HydrophobicContact CE2-CG2 3.66Å; F1743-I1769 HydrophobicContact CZ-CG2 3.78Å; F1743-H1772 HydrophobicContact CD2-CB 4.47Å; F1743-I1773 HydrophobicContact CE1-CD1 4.29Å; F1743-I1773 HydrophobicContact CE1-CG1 4.14Å; F1743-I1773 HydrophobicContact CE2-CG1 4.37Å; F1743-I1773 HydrophobicContact CZ-CD1 3.94Å; F1743-I1773 HydrophobicContact CZ-CG1 3.9Å; F1743-I1776 HydrophobicContact CB-CD1 3.94Å; F1743-I1776 HydrophobicContact CD1-CD1 4.39Å; F1743-I1776 HydrophobicContact CG-CD1 4.26Å; F1743-I1802 HydrophobicContact CD1-CD1 3.65Å; F1743-I1802 HydrophobicContact CD1-CG1 4.3Å; F1743-I1802 HydrophobicContact CE1-CD1 3.75Å; F1743-I1802 HydrophobicContact CE1-CG1 4.26Å; F1743-I1802 HydrophobicContact CE1-CG2 4.13Å
1744A83.8Confident83.6Confident6.8 Ų6.823.9 Ų23.96%0.05612%0.123CC..Hα-helixtrans-59.4-42.8175.200000111.7Y1454 A1740 R1741 M1742 Q1748 L1789 V1794Y1454-A1744 HydrophobicContact CD1-CB 4.14Å; Y1454-A1744 HydrophobicContact CE1-CB 4.03Å; A1740-A1744 WeakPolarHBondContact O-CB 3.31Å; A1740-A1744 PolarHBondContact O-N 3.13Å; A1740-A1744 VanDerWaalsContact O-N 3.1Å; R1741-A1744 PolarHBondContact O-N 3.12Å; M1742-A1744 VanDerWaalsContact C-N 3.34Å; M1742-A1744 PolarHBondContact O-N 3.1Å; A1744-Q1748 WeakPolarHBondContact O-CB 3.43Å; A1744-Q1748 VanDerWaalsContact O-CG 3.26Å; A1744-Q1748 WeakPolarHBondContact O-CG 3.41Å; A1744-Q1748 PolarHBondContact O-N 3.26Å; A1744-Q1748 VanDerWaalsContact O-N 3.08Å; A1744-L1789 HydrophobicContact CB-CD1 4.4Å; A1744-V1794 HydrophobicContact CB-CG1 4.45Å; A1744-V1794 HydrophobicContact CB-CG2 4.45Å
1745G83.7Confident84.4Confident0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-61.6-47.1174.600000113.3R1741 M1742 F1743 V1747 Q1748 C1749R1741-G1745 PolarHBondContact O-N 3.01Å; R1741-G1745 VanDerWaalsContact O-N 3.08Å; M1742-G1745 PolarHBondContact O-N 3.13Å; M1742-G1745 VanDerWaalsContact O-N 3.17Å; F1743-G1745 VanDerWaalsContact C-N 3.32Å; F1743-G1745 PolarHBondContact O-N 3.22Å; G1745-V1747 PolarHBondContact O-N 3.04Å; G1745-Q1748 PolarHBondContact O-N 3.18Å; G1745-C1749 WeakPolarHBondContact O-CB 3.31Å; G1745-C1749 PolarHBondContact O-N 3.22Å; G1745-C1749 PolarHBondContact O-SG 3.04Å; G1745-C1749 VanDerWaalsContact O-SG 3.33Å
1746L88.5Confident84.8Confident1.8 Ų1.820.9 Ų20.91%0.00910%0.104CC..Hα-helixtrans-60.5-46.9179.2-71.4170.4000112F1455 H1726 F1728 M1742 F1743 C1749 G1750 A1751 G1753 F1755F1455-L1746 HydrophobicContact CE1-CD2 4.07Å; F1455-L1746 HydrophobicContact CE1-CG 4.06Å; F1455-L1746 HydrophobicContact CZ-CD2 3.89Å; F1455-L1746 HydrophobicContact CZ-CG 4.11Å; H1726-L1746 HydrophobicContact CB-CD2 4.29Å; F1728-L1746 HydrophobicContact CE2-CD1 4.21Å; F1728-L1746 HydrophobicContact CE2-CD2 4.34Å; F1728-L1746 HydrophobicContact CE2-CG 4.46Å; M1742-L1746 WeakPolarHBondContact O-CG 3.35Å; M1742-L1746 PolarHBondContact O-N 3.06Å; F1743-L1746 HydrophobicContact CD1-CD1 4.36Å; F1743-L1746 PolarHBondContact O-N 3.07Å; L1746-C1749 PolarHBondContact O-N 3.19Å; L1746-G1750 WeakPolarHBondContact O-CA 3.36Å; L1746-G1750 PolarHBondContact O-N 2.93Å; L1746-A1751 HydrophobicContact CD2-CB 4.19Å; L1746-A1751 PolarHBondContact O-N 3.1Å; L1746-A1751 VanDerWaalsContact O-N 3.17Å; L1746-G1753 VanDerWaalsContact CD1-CA 3.5Å; L1746-F1755 HydrophobicContact CD1-CE2 4.13Å; L1746-F1755 HydrophobicContact CD1-CZ 4.01Å
1747V88.9Confident84.9Confident1.6 Ų1.620.6 Ų20.61%0.0110%0.101CC..Hα-helixtrans-63.4-42-179.1161.70000111.7F1743 G1745 I1776 L1789 V1794 L1796 N1797F1743-V1747 VanDerWaalsContact O-CB 3.27Å; F1743-V1747 WeakPolarHBondContact O-CB 3.37Å; F1743-V1747 VanDerWaalsContact O-CG2 3.25Å; F1743-V1747 WeakPolarHBondContact O-CG2 3.39Å; F1743-V1747 PolarHBondContact O-N 3.12Å; G1745-V1747 PolarHBondContact O-N 3.04Å; V1747-I1776 HydrophobicContact CG2-CD1 3.82Å; V1747-I1776 HydrophobicContact CG2-CG1 4.02Å; V1747-I1776 HydrophobicContact CG2-CG2 3.9Å; V1747-L1789 HydrophobicContact CG2-CD1 4.5Å; V1747-V1794 HydrophobicContact CG1-CG1 4.22Å; V1747-L1796 HydrophobicContact CB-CD1 4.28Å; V1747-L1796 HydrophobicContact CG1-CB 4.04Å; V1747-L1796 HydrophobicContact CG1-CD1 3.41Å; V1747-L1796 VanDerWaalsContact CG1-CD1 3.42Å; V1747-L1796 HydrophobicContact CG1-CG 4.31Å; V1747-L1796 HydrophobicContact CG2-CD1 4.17Å; V1747-N1797 VanDerWaalsContact O-CB 3.28Å; V1747-N1797 WeakPolarHBondContact O-CB 3.35Å; V1747-N1797 PolarHBondContact O-N 3.32Å
1748Q86.2Confident85.3Confident24.6 Ų24.612.8 Ų12.812%0.1157%0.071CC..Hα-helixtrans-72.5-42.6177.9-71.3-179.417.200112.5P1451 A1744 G1745 G1750 V1794 P1795P1451-Q1748 HydrophobicContact CB-CB 3.58Å; P1451-Q1748 HydrophobicContact CG-CB 3.73Å; A1744-Q1748 WeakPolarHBondContact O-CB 3.43Å; A1744-Q1748 VanDerWaalsContact O-CG 3.26Å; A1744-Q1748 WeakPolarHBondContact O-CG 3.41Å; A1744-Q1748 PolarHBondContact O-N 3.26Å; A1744-Q1748 VanDerWaalsContact O-N 3.08Å; G1745-Q1748 PolarHBondContact O-N 3.18Å; Q1748-G1750 VanDerWaalsContact C-N 3.28Å; Q1748-G1750 PolarHBondContact O-N 3.08Å; Q1748-V1794 HydrophobicContact CG-CG1 3.37Å; Q1748-V1794 VanDerWaalsContact CG-CG1 3.43Å; Q1748-V1794 VanDerWaalsContact NE2-CG1 3.3Å; Q1748-P1795 HydrophobicContact CG-CG 4.1Å
1749C84.2Confident85.7Confident33.8 Ų33.810.8 Ų10.823%0.2286%0.057CC..Hα-helixtrans-67.5-29.5178-70.30000112.5P1451 G1745 L1746 A1751P1451-C1749 VanDerWaalsContact C-SG 3.59Å; P1451-C1749 VanDerWaalsContact CB-SG 3.52Å; P1451-C1749 WeakPolarHBondContact CB-SG 3.25Å; G1745-C1749 WeakPolarHBondContact O-CB 3.31Å; G1745-C1749 PolarHBondContact O-N 3.22Å; G1745-C1749 PolarHBondContact O-SG 3.04Å; G1745-C1749 VanDerWaalsContact O-SG 3.33Å; L1746-C1749 PolarHBondContact O-N 3.19Å; C1749-A1751 VanDerWaalsContact C-N 3.25Å; C1749-A1751 HydrophobicContact CB-CB 3.92Å
1750G85.8Confident85.7Confident4.6 Ų4.612.4 Ų12.45%0.0476%0.062CC..THydrogen-bonded Turntrans70.224.4-163.600000112.8R1723 L1746 Q1748 N1797R1723-G1750 PolarHBondContact NH1-O 3.26Å; L1746-G1750 WeakPolarHBondContact O-CA 3.36Å; L1746-G1750 PolarHBondContact O-N 2.93Å; Q1748-G1750 VanDerWaalsContact C-N 3.28Å; Q1748-G1750 PolarHBondContact O-N 3.08Å; G1750-N1797 VanDerWaalsContact CA-CG 3.5Å; G1750-N1797 WeakPolarHBondContact CA-ND2 3.11Å
1751A87Confident85.8Confident1.6 Ų1.612.4 Ų12.41%0.0136%0.062CC..PPolyproline II helixtrans-85.8163.7175.500000110.3T1724 L1746 C1749T1724-A1751 WeakPolarHBondContact OG1-CB 3.32Å; L1746-A1751 HydrophobicContact CD2-CB 4.19Å; L1746-A1751 PolarHBondContact O-N 3.1Å; L1746-A1751 VanDerWaalsContact O-N 3.17Å; C1749-A1751 VanDerWaalsContact C-N 3.25Å; C1749-A1751 HydrophobicContact CB-CB 3.92Å
1752W91.1Very high86Confident0 Ų014.9 Ų14.90%08%0.076CC..EExtended strand (participates in β ladder)trans-97.9133.1178.2-68.69000110.3M1694 V1714 L1717 L1721 T1724 V1725 H1726 N1799 A1801 F1803M1694-W1752 HydrophobicContact CE-CH2 3.89Å; M1694-W1752 HydrophobicContact CE-CZ2 3.32Å; M1694-W1752 HydrophobicContact SD-CH2 3.48Å; M1694-W1752 VanDerWaalsContact SD-CH2 3.55Å; M1694-W1752 WeakPolarHBondContact SD-CH2 3.31Å; M1694-W1752 HydrophobicContact SD-CZ2 3.38Å; M1694-W1752 VanDerWaalsContact SD-CZ2 3.55Å; M1694-W1752 WeakPolarHBondContact SD-CZ2 3.32Å; M1694-W1752 HydrophobicContact SD-CZ3 4.39Å; V1714-W1752 HydrophobicContact CG1-CE3 4.43Å; L1717-W1752 HydrophobicContact CB-CZ3 4.16Å; L1717-W1752 HydrophobicContact CD2-CH2 3.95Å; L1717-W1752 HydrophobicContact CD2-CZ3 4.03Å; L1717-W1752 HydrophobicContact CG-CH2 3.86Å; L1717-W1752 HydrophobicContact CG-CZ3 3.91Å; L1721-W1752 HydrophobicContact CD1-CH2 3.23Å; L1721-W1752 HydrophobicContact CD1-CZ2 3.41Å; L1721-W1752 VanDerWaalsContact CD1-CZ2 3.4Å; L1721-W1752 HydrophobicContact CD1-CZ3 4.32Å; T1724-W1752 PolarHBondContact O-N 3.01Å; T1724-W1752 VanDerWaalsContact O-N 3.07Å; V1725-W1752 CarbonylContact C-O 3.55Å; V1725-W1752 WeakPolarHBondContact CA-O 3.43Å; V1725-W1752 HydrophobicContact CB-CB 4.47Å; V1725-W1752 HydrophobicContact CG1-CB 4.43Å; V1725-W1752 HydrophobicContact CG2-CB 4.12Å; V1725-W1752 HydrophobicContact CG2-CE3 4.09Å; H1726-W1752 PolarHBondContact N-O 3.08Å; W1752-N1799 PolarHBondContact NE1-O 3.3Å; W1752-N1799 VanDerWaalsContact NE1-O 3.15Å; W1752-A1801 WeakPolarHBondContact CA-O 3.41Å; W1752-A1801 HydrophobicContact CD2-CB 4.21Å; W1752-A1801 HydrophobicContact CG-CB 4.07Å; W1752-F1803 HydrophobicContact CB-CE2 4.33Å; W1752-F1803 AromaticContact CD2-CE2 3.75Å; W1752-F1803 HydrophobicContact CD2-CE2 3.75Å; W1752-F1803 HydrophobicContact CD2-CZ 4.38Å; W1752-F1803 HydrophobicContact CE3-CD2 4.35Å; W1752-F1803 AromaticContact CE3-CE2 3.39Å; W1752-F1803 HydrophobicContact CE3-CE2 3.39Å; W1752-F1803 VanDerWaalsContact CE3-CE2 3.43Å; W1752-F1803 AromaticContact CE3-CZ 3.81Å; W1752-F1803 HydrophobicContact CE3-CZ 3.81Å; W1752-F1803 HydrophobicContact CG-CE2 4.18Å; W1752-F1803 HydrophobicContact CH2-CE2 4.36Å; W1752-F1803 HydrophobicContact CH2-CZ 4.2Å; W1752-F1803 AromaticContact CZ3-CE2 3.81Å; W1752-F1803 HydrophobicContact CZ3-CE2 3.81Å; W1752-F1803 AromaticContact CZ3-CZ 3.69Å; W1752-F1803 HydrophobicContact CZ3-CZ 3.69Å
1753G89.5Confident86Confident0 Ų018.6 Ų18.60%09%0.093CC..EExtended strand (participates in β ladder)trans-102.9122.6174.300000110.7L1746 A1801 I1802 F1803L1746-G1753 VanDerWaalsContact CD1-CA 3.5Å; G1753-A1801 PolarHBondContact N-O 3.15Å; G1753-I1802 CarbonylContact O-C 3.42Å; G1753-I1802 WeakPolarHBondContact O-CA 3.31Å; G1753-F1803 PolarHBondContact O-N 3.09Å
1754C90.4Very high85.8Confident0 Ų021.6 Ų21.60%011%0.114CC..EExtended strand (participates in β ladder)trans-111.7108.6171.9-174.30000108.8V1714 V1725 H1726 V1727 F1728 D1756 F1803V1714-C1754 HydrophobicContact CG1-CB 4.32Å; V1725-C1754 HydrophobicContact CG1-CB 4.01Å; H1726-C1754 PolarHBondContact O-N 2.93Å; V1727-C1754 CarbonylContact C-O 3.51Å; V1727-C1754 VanDerWaalsContact CA-O 3.31Å; V1727-C1754 WeakPolarHBondContact CA-O 3.42Å; V1727-C1754 HydrophobicContact CG2-CB 4.19Å; F1728-C1754 PolarHBondContact N-O 3.33Å; C1754-D1756 PolarHBondContact O-N 3.06Å; C1754-F1803 CarbonylContact C-O 3.56Å; C1754-F1803 WeakPolarHBondContact CA-O 3.37Å; C1754-F1803 HydrophobicContact CB-CB 4.41Å
1755F89.5Confident85.9Confident0.2 Ų0.221.9 Ų21.90%0.00112%0.115CC..EExtended strand (participates in β ladder)trans-93.4103.5178.9-62.9-89000108.9F1728 M1739 M1742 F1743 L1746 F1758 I1802 F1803 I1804 T1805F1728-F1755 HydrophobicContact CB-CD1 3.88Å; F1728-F1755 HydrophobicContact CB-CE1 4.13Å; F1728-F1755 HydrophobicContact CD2-CD1 4.14Å; F1728-F1755 AromaticContact CD2-CE1 3.77Å; F1728-F1755 HydrophobicContact CD2-CE1 3.77Å; F1728-F1755 HydrophobicContact CD2-CE2 4.49Å; F1728-F1755 AromaticContact CD2-CZ 3.91Å; F1728-F1755 HydrophobicContact CD2-CZ 4.01Å; F1728-F1755 HydrophobicContact CE2-CE1 4.48Å; F1728-F1755 HydrophobicContact CE2-CZ 4.41Å; F1728-F1755 HydrophobicContact CG-CD1 4.33Å; F1728-F1755 HydrophobicContact CG-CE1 4.12Å; F1728-F1755 CarbonylContact O-C 3.53Å; F1728-F1755 WeakPolarHBondContact O-CA 3.32Å; M1739-F1755 HydrophobicContact CE-CD1 3.49Å; M1739-F1755 VanDerWaalsContact CE-CD1 3.45Å; M1739-F1755 HydrophobicContact CE-CE1 3.49Å; M1739-F1755 VanDerWaalsContact CE-CE1 3.47Å; M1739-F1755 HydrophobicContact CE-CG 4.44Å; M1739-F1755 HydrophobicContact CE-CZ 4.46Å; M1739-F1755 HydrophobicContact SD-CD1 4.26Å; M1739-F1755 HydrophobicContact SD-CE1 3.94Å; M1742-F1755 HydrophobicContact SD-CE1 4.42Å; F1743-F1755 HydrophobicContact CD1-CE2 4.12Å; F1743-F1755 AromaticContact CD1-CZ 3.91Å; F1743-F1755 HydrophobicContact CD1-CZ 3.91Å; F1743-F1755 HydrophobicContact CE1-CD2 4.27Å; F1743-F1755 HydrophobicContact CE1-CE1 4.29Å; F1743-F1755 AromaticContact CE1-CE2 3.31Å; F1743-F1755 HydrophobicContact CE1-CE2 3.31Å; F1743-F1755 AromaticContact CE1-CZ 3.3Å; F1743-F1755 HydrophobicContact CE1-CZ 3.3Å; F1743-F1755 HydrophobicContact CE2-CZ 4.34Å; F1743-F1755 HydrophobicContact CZ-CD2 4.49Å; F1743-F1755 HydrophobicContact CZ-CE1 4.29Å; F1743-F1755 AromaticContact CZ-CE2 3.85Å; F1743-F1755 HydrophobicContact CZ-CE2 3.93Å; F1743-F1755 AromaticContact CZ-CZ 3.71Å; F1743-F1755 HydrophobicContact CZ-CZ 3.71Å; L1746-F1755 HydrophobicContact CD1-CE2 4.13Å; L1746-F1755 HydrophobicContact CD1-CZ 4.01Å; F1755-F1758 HydrophobicContact CB-CD2 3.87Å; F1755-F1758 HydrophobicContact CG-CD2 4.49Å; F1755-I1802 HydrophobicContact CD2-CG2 4.05Å; F1755-I1802 HydrophobicContact CE2-CG2 3.96Å; F1755-F1803 PolarHBondContact N-O 3.27Å; F1755-I1804 HydrophobicContact CB-CG2 4.32Å; F1755-I1804 WeakPolarHBondContact O-CA 3.25Å; F1755-T1805 PolarHBondContact O-N 3.29Å
1756D85.6Confident85.9Confident30.2 Ų30.221.9 Ų21.916%0.16112%0.115CC..EExtended strand (participates in β ladder)trans-81.8142.1-178.3-152-3000111.2T1711 V1727 F1728 C1730 C1754 F1758 T1805T1711-D1756 PolarHBondContact OG1-OD1 3.25Å; T1711-D1756 VanDerWaalsContact OG1-OD1 3.1Å; T1711-D1756 PolarHBondContact OG1-OD2 3.17Å; V1727-D1756 HydrophobicContact CG1-CB 4.26Å; F1728-D1756 PolarHBondContact O-N 3.23Å; C1730-D1756 WeakPolarHBondContact CB-O 3.35Å; C1730-D1756 PolarHBondContact N-O 3.17Å; C1730-D1756 VanDerWaalsContact N-O 3.13Å; C1730-D1756 PolarHBondContact SG-O 2.98Å; C1754-D1756 PolarHBondContact O-N 3.06Å; D1756-F1758 VanDerWaalsContact C-N 3.3Å; D1756-F1758 PolarHBondContact O-N 3.24Å; D1756-T1805 VanDerWaalsContact CA-OG1 3.27Å; D1756-T1805 WeakPolarHBondContact CA-OG1 3.44Å; D1756-T1805 PolarHBondContact OD1-OG1 3.24Å
1757E82.5Confident85.7Confident26 Ų2624.2 Ų24.212%0.12113%0.131CC..THydrogen-bonded Turntrans49.344.7-174.8-52.7-154.7132.600113.9N1759 R1760 T1805 N1807 R1816 N2099E1757-N1759 PolarHBondContact O-N 3.26Å; E1757-R1760 HydrophobicContact CB-CG 4.1Å; E1757-R1760 WeakPolarHBondContact O-CB 3.34Å; E1757-R1760 WeakPolarHBondContact O-CG 3.34Å; E1757-R1760 PolarHBondContact O-N 3.12Å; E1757-R1760 IonicContact OE1-CZ 3.8Å; E1757-R1760 IonicContact OE1-NH2 3.08Å; E1757-R1760 PolarHBondContact OE1-NH2 2.62Å; E1757-R1760 VanDerWaalsContact OE2-CD 3.25Å; E1757-R1760 WeakPolarHBondContact OE2-CD 3.45Å; E1757-R1760 IonicContact OE2-CZ 3.62Å; E1757-R1760 IonicContact OE2-NE 3.08Å; E1757-R1760 PolarHBondContact OE2-NE 2.98Å; E1757-R1760 IonicContact OE2-NH1 3.26Å; E1757-R1760 PolarHBondContact OE2-NH1 3.26Å; E1757-R1760 IonicContact OE2-NH2 3.52Å; E1757-R1760 PolarHBondContact OE2-NH2 3.49Å; E1757-T1805 WeakPolarHBondContact CA-O 3.33Å; E1757-T1805 PolarHBondContact N-O 2.99Å; E1757-T1805 VanDerWaalsContact N-O 3.16Å; E1757-T1805 PolarHBondContact N-OG1 3.02Å; E1757-N1807 PolarHBondContact OE1-ND2 3.36Å; E1757-R1816 IonicContact OE1-CZ 2.98Å; E1757-R1816 IonicContact OE1-NH2 3.75Å; E1757-R1816 PolarHBondContact OE1-NH2 3.03Å; E1757-R1816 IonicContact OE2-CZ 2.8Å; E1757-R1816 IonicContact OE2-NE 3.88Å; E1757-R1816 IonicContact OE2-NH2 3.6Å; E1757-R1816 PolarHBondContact OE2-NH2 3.3Å; E1757-N2099 PolarHBondContact OE2-ND2 2.98Å
1758F86.2Confident85.5Confident0.6 Ų0.626.8 Ų26.80%0.00315%0.147CC..G310 helixtrans-55.5-22.2-176.5-170.7-93.8000113.9M1739 F1755 D1756 R1760 L1761 M1766 I1769 I1804 T1805 L1806 I1819 L1823M1739-F1758 HydrophobicContact CE-CE2 4.4Å; F1755-F1758 HydrophobicContact CB-CD2 3.87Å; F1755-F1758 HydrophobicContact CG-CD2 4.49Å; D1756-F1758 VanDerWaalsContact C-N 3.3Å; D1756-F1758 PolarHBondContact O-N 3.24Å; F1758-R1760 VanDerWaalsContact C-N 3.25Å; F1758-R1760 PolarHBondContact O-N 3.1Å; F1758-L1761 HydrophobicContact CD1-CD1 4.29Å; F1758-L1761 HydrophobicContact CD2-CD1 3.64Å; F1758-L1761 HydrophobicContact CE1-CD1 4.23Å; F1758-L1761 HydrophobicContact CE2-CD1 3.45Å; F1758-L1761 HydrophobicContact CG-CD1 4.19Å; F1758-L1761 HydrophobicContact CZ-CD1 3.82Å; F1758-L1761 PolarHBondContact O-N 3.21Å; F1758-M1766 HydrophobicContact CD1-CG 4.35Å; F1758-M1766 HydrophobicContact CD1-SD 4.24Å; F1758-M1766 HydrophobicContact CE1-CB 4.42Å; F1758-M1766 HydrophobicContact CE1-CG 3.77Å; F1758-M1766 VanDerWaalsContact CE1-CG 3.45Å; F1758-M1766 HydrophobicContact CE1-SD 4.06Å; F1758-M1766 HydrophobicContact CZ-CG 4.27Å; F1758-I1769 HydrophobicContact CE2-CG2 4.16Å; F1758-I1769 HydrophobicContact CZ-CB 4.46Å; F1758-I1769 HydrophobicContact CZ-CG2 3.9Å; F1758-I1804 HydrophobicContact CB-CB 4.11Å; F1758-I1804 HydrophobicContact CB-CG2 4.3Å; F1758-I1804 HydrophobicContact CD1-CD1 4.34Å; F1758-I1804 HydrophobicContact CD1-CG2 4.4Å; F1758-I1804 HydrophobicContact CD2-CG2 3.85Å; F1758-I1804 HydrophobicContact CE2-CG2 4.3Å; F1758-I1804 HydrophobicContact CG-CB 4.27Å; F1758-I1804 HydrophobicContact CG-CG2 3.97Å; F1758-T1805 PolarHBondContact N-O 3.15Å; F1758-L1806 HydrophobicContact CB-CD2 3.88Å; F1758-I1819 HydrophobicContact CD1-CD1 4.47Å; F1758-L1823 HydrophobicContact CD1-CD2 4.08Å; F1758-L1823 HydrophobicContact CE1-CD2 3.26Å; F1758-L1823 HydrophobicContact CZ-CD2 3.9Å
1759N83Confident85.5Confident5.8 Ų5.825.7 Ų25.73%0.03114%0.142CC..G310 helixtrans-763.5174.560.1-28.1000115.6E1757 L1806 N1807 R1816 Q1817 I1819E1757-N1759 PolarHBondContact O-N 3.26Å; N1759-L1806 HydrophobicContact CB-CD2 3.95Å; N1759-N1807 PolarHBondContact ND2-O 3.12Å; N1759-R1816 WeakPolarHBondContact ND2-CD 3.42Å; N1759-Q1817 WeakPolarHBondContact CB-O 3.37Å; N1759-Q1817 PolarHBondContact O-N 3.21Å; N1759-I1819 HydrophobicContact CB-CD1 4.36Å; N1759-I1819 HydrophobicContact CB-CG1 4.41Å
1760R82.8Confident85.6Confident39.8 Ų39.824.6 Ų24.615%0.1514%0.135CC..G310 helixtrans-88.1-13.7168.5-67.9-164.9120.4172.613.6113.5C1730 D1731 E1732 E1757 F1758 R1816 P2092 E2093 E2096C1730-R1760 WeakPolarHBondContact O-CB 3.31Å; C1730-R1760 VanDerWaalsContact O-CD 3.28Å; C1730-R1760 WeakPolarHBondContact O-CD 3.43Å; C1730-R1760 PolarHBondContact O-NE 3.19Å; D1731-R1760 IonicContact OD1-CZ 3.35Å; D1731-R1760 IonicContact OD1-NE 3.05Å; D1731-R1760 PolarHBondContact OD1-NE 3.31Å; D1731-R1760 IonicContact OD1-NH1 3.54Å; D1731-R1760 PolarHBondContact OD1-NH1 3.21Å; D1731-R1760 IonicContact OD1-NH2 3.64Å; D1731-R1760 PolarHBondContact OD1-NH2 3.32Å; E1732-R1760 WeakPolarHBondContact CA-O 3.45Å; E1732-R1760 VanDerWaalsContact CG-O 3.22Å; E1732-R1760 WeakPolarHBondContact CG-O 3.36Å; E1732-R1760 PolarHBondContact N-O 3.17Å; E1757-R1760 HydrophobicContact CB-CG 4.1Å; E1757-R1760 WeakPolarHBondContact O-CB 3.34Å; E1757-R1760 WeakPolarHBondContact O-CG 3.34Å; E1757-R1760 PolarHBondContact O-N 3.12Å; E1757-R1760 IonicContact OE1-CZ 3.8Å; E1757-R1760 IonicContact OE1-NH2 3.08Å; E1757-R1760 PolarHBondContact OE1-NH2 2.62Å; E1757-R1760 VanDerWaalsContact OE2-CD 3.25Å; E1757-R1760 WeakPolarHBondContact OE2-CD 3.45Å; E1757-R1760 IonicContact OE2-CZ 3.62Å; E1757-R1760 IonicContact OE2-NE 3.08Å; E1757-R1760 PolarHBondContact OE2-NE 2.98Å; E1757-R1760 IonicContact OE2-NH1 3.26Å; E1757-R1760 PolarHBondContact OE2-NH1 3.26Å; E1757-R1760 IonicContact OE2-NH2 3.52Å; E1757-R1760 PolarHBondContact OE2-NH2 3.49Å; F1758-R1760 VanDerWaalsContact C-N 3.25Å; F1758-R1760 PolarHBondContact O-N 3.1Å; R1760-R1816 HydrophobicContact CG-CG 4.3Å; R1760-P2092 PolarHBondContact NH2-O 3.02Å; R1760-E2093 PolarHBondContact NH2-O 3.29Å; R1760-E2096 IonicContact CZ-OE1 3.46Å; R1760-E2096 IonicContact CZ-OE2 3.38Å; R1760-E2096 IonicContact NE-OE2 2.77Å; R1760-E2096 PolarHBondContact NE-OE2 2.8Å; R1760-E2096 IonicContact NH1-OE1 2.99Å; R1760-E2096 PolarHBondContact NH1-OE1 2.98Å; R1760-E2096 IonicContact NH1-OE2 2.83Å; R1760-E2096 PolarHBondContact NH1-OE2 3.32Å; R1760-E2096 IonicContact NH2-OE1 3.73Å; R1760-E2096 PolarHBondContact NH2-OE1 2.82Å; R1760-E2096 IonicContact NH2-OE2 3.43Å; R1760-E2096 PolarHBondContact NH2-OE2 2.85Å
1761L84Confident85.7Confident0.6 Ų0.631 Ų310%0.00317%0.165CC..SBendtrans-66.3148.4174.9-63.7175.6000110.2C1730 D1731 A1734 M1739 F1758 V1765 M1766 I1769 Q1817C1730-L1761 HydrophobicContact CB-CD1 4.36Å; C1730-L1761 HydrophobicContact CB-CD2 3.86Å; C1730-L1761 HydrophobicContact CB-CG 3.89Å; D1731-L1761 WeakPolarHBondContact O-CD2 3.3Å; A1734-L1761 HydrophobicContact CB-CD2 3.49Å; M1739-L1761 HydrophobicContact CE-CD1 4.15Å; F1758-L1761 HydrophobicContact CD1-CD1 4.29Å; F1758-L1761 HydrophobicContact CD2-CD1 3.64Å; F1758-L1761 HydrophobicContact CE1-CD1 4.23Å; F1758-L1761 HydrophobicContact CE2-CD1 3.45Å; F1758-L1761 HydrophobicContact CG-CD1 4.19Å; F1758-L1761 HydrophobicContact CZ-CD1 3.82Å; F1758-L1761 PolarHBondContact O-N 3.21Å; L1761-V1765 HydrophobicContact CD2-CG1 4.48Å; L1761-M1766 HydrophobicContact CB-CB 4.48Å; L1761-M1766 HydrophobicContact CB-CG 3.58Å; L1761-M1766 HydrophobicContact CB-SD 4.39Å; L1761-M1766 HydrophobicContact CD1-CG 4.28Å; L1761-M1766 WeakPolarHBondContact O-CE 3.42Å; L1761-I1769 HydrophobicContact CD1-CD1 3.88Å; L1761-Q1817 PolarHBondContact O-OE1 3.09Å; L1761-Q1817 VanDerWaalsContact O-OE1 3.14Å
1762E83.2Confident85.7Confident96.2 Ų96.232.2 Ų32.245%0.4517%0.171SC..  trans-62.7143170.9-125.2-164.414900111.3S1764 V1765 M1766E1762-S1764 VanDerWaalsContact C-N 3.31Å; E1762-S1764 PolarHBondContact O-N 3.12Å; E1762-S1764 VanDerWaalsContact O-N 3.16Å; E1762-S1764 WeakPolarHBondContact OE1-CB 3.4Å; E1762-S1764 PolarHBondContact OE1-OG 3.06Å; E1762-S1764 PolarHBondContact OE2-OG 3.09Å; E1762-V1765 HydrophobicContact CB-CB 4.41Å; E1762-V1765 HydrophobicContact CB-CG2 4.13Å; E1762-V1765 WeakPolarHBondContact O-CB 3.42Å; E1762-V1765 PolarHBondContact O-N 3.39Å; E1762-M1766 WeakPolarHBondContact O-CB 3.15Å; E1762-M1766 WeakPolarHBondContact O-CG 3.44Å; E1762-M1766 PolarHBondContact O-N 3.09Å
1763E82Confident85.6Confident116 Ų11632.3 Ų32.354%0.54217%0.171SC..Hα-helixtrans-46.7-43.5174.5-175.7-178.3-164.600113.6M1766 S1767 P1820E1763-M1766 HydrophobicContact CB-CE 4.16Å; E1763-S1767 WeakPolarHBondContact O-CB 3.36Å; E1763-S1767 PolarHBondContact O-N 2.93Å; E1763-S1767 PolarHBondContact O-OG 3.09Å; E1763-P1820 HydrophobicContact CG-CG 4.35Å
1764S84.4Confident85.6Confident63.4 Ų63.436.8 Ų36.844%0.44319%0.191SC..Hα-helixtrans-61.7-47.3176.862.60000111.5E1762 S1767 V1768E1762-S1764 VanDerWaalsContact C-N 3.31Å; E1762-S1764 PolarHBondContact O-N 3.12Å; E1762-S1764 VanDerWaalsContact O-N 3.16Å; E1762-S1764 WeakPolarHBondContact OE1-CB 3.4Å; E1762-S1764 PolarHBondContact OE1-OG 3.06Å; E1762-S1764 PolarHBondContact OE2-OG 3.09Å; S1764-S1767 PolarHBondContact O-N 3.14Å; S1764-V1768 WeakPolarHBondContact O-CG2 3.42Å; S1764-V1768 PolarHBondContact O-N 3.09Å
1765V85.3Confident85.5Confident13.4 Ų13.438.5 Ų38.58%0.08120%0.204CC..Hα-helixtrans-66.9-44.9179.1176.60000110.9V1736 L1761 E1762 S1767 V1768 I1769V1736-V1765 HydrophobicContact CG2-CB 4.23Å; V1736-V1765 HydrophobicContact CG2-CG1 3.98Å; V1736-V1765 HydrophobicContact CG2-CG2 4Å; L1761-V1765 HydrophobicContact CD2-CG1 4.48Å; E1762-V1765 HydrophobicContact CB-CB 4.41Å; E1762-V1765 HydrophobicContact CB-CG2 4.13Å; E1762-V1765 WeakPolarHBondContact O-CB 3.42Å; E1762-V1765 PolarHBondContact O-N 3.39Å; V1765-S1767 VanDerWaalsContact C-N 3.27Å; V1765-S1767 PolarHBondContact O-N 3.27Å; V1765-V1768 PolarHBondContact O-N 3.21Å; V1765-I1769 HydrophobicContact CG1-CD1 3.63Å; V1765-I1769 HydrophobicContact CG1-CG1 4.38Å; V1765-I1769 WeakPolarHBondContact O-CB 3.36Å; V1765-I1769 VanDerWaalsContact O-CG1 3.3Å; V1765-I1769 WeakPolarHBondContact O-CG1 3.41Å; V1765-I1769 PolarHBondContact O-N 3.22Å
1766M83.9Confident85.5Confident0.2 Ų0.238.6 Ų38.60%0.00121%0.205CC..Hα-helixtrans-57.5-41176.8-87.2-167.1-72.800111.9F1758 L1761 E1762 E1763 I1769 A1770 Q1817 I1819 P1820 L1823F1758-M1766 HydrophobicContact CD1-CG 4.35Å; F1758-M1766 HydrophobicContact CD1-SD 4.24Å; F1758-M1766 HydrophobicContact CE1-CB 4.42Å; F1758-M1766 HydrophobicContact CE1-CG 3.77Å; F1758-M1766 VanDerWaalsContact CE1-CG 3.45Å; F1758-M1766 HydrophobicContact CE1-SD 4.06Å; F1758-M1766 HydrophobicContact CZ-CG 4.27Å; L1761-M1766 HydrophobicContact CB-CB 4.48Å; L1761-M1766 HydrophobicContact CB-CG 3.58Å; L1761-M1766 HydrophobicContact CB-SD 4.39Å; L1761-M1766 HydrophobicContact CD1-CG 4.28Å; L1761-M1766 WeakPolarHBondContact O-CE 3.42Å; E1762-M1766 WeakPolarHBondContact O-CB 3.15Å; E1762-M1766 WeakPolarHBondContact O-CG 3.44Å; E1762-M1766 PolarHBondContact O-N 3.09Å; E1763-M1766 HydrophobicContact CB-CE 4.16Å; M1766-I1769 PolarHBondContact O-N 3.14Å; M1766-A1770 WeakPolarHBondContact O-CB 3.24Å; M1766-A1770 PolarHBondContact O-N 3.15Å; M1766-Q1817 HydrophobicContact CE-CB 4.09Å; M1766-I1819 HydrophobicContact CE-CG1 4.34Å; M1766-I1819 HydrophobicContact SD-CB 4.36Å; M1766-I1819 HydrophobicContact SD-CG1 4.17Å; M1766-I1819 HydrophobicContact SD-CG2 4.23Å; M1766-P1820 HydrophobicContact CB-CG 4.47Å; M1766-L1823 HydrophobicContact CB-CD1 4.07Å; M1766-L1823 HydrophobicContact CG-CD1 3.51Å; M1766-L1823 HydrophobicContact SD-CD1 3.69Å
1767S83.4Confident85.7Confident50.6 Ų50.637.3 Ų37.335%0.35420%0.198SC..Hα-helixtrans-65.4-41.9180-63.10000112.3E1763 S1764 V1765 A1770 M1771E1763-S1767 WeakPolarHBondContact O-CB 3.36Å; E1763-S1767 PolarHBondContact O-N 2.93Å; E1763-S1767 PolarHBondContact O-OG 3.09Å; S1764-S1767 PolarHBondContact O-N 3.14Å; V1765-S1767 VanDerWaalsContact C-N 3.27Å; V1765-S1767 PolarHBondContact O-N 3.27Å; S1767-A1770 WeakPolarHBondContact O-CB 3.35Å; S1767-A1770 PolarHBondContact O-N 3.23Å; S1767-M1771 PolarHBondContact O-N 3.27Å
1768V85.2Confident86Confident56 Ų5638.8 Ų38.834%0.33921%0.21SC..Hα-helixtrans-70.8-39.2176.9-178.20000111.3V1736 S1764 V1765 A1770 M1771 H1772V1736-V1768 HydrophobicContact CG1-CB 4.07Å; V1736-V1768 HydrophobicContact CG1-CG1 3.48Å; V1736-V1768 VanDerWaalsContact CG1-CG1 3.47Å; V1736-V1768 HydrophobicContact CG2-CB 4.43Å; S1764-V1768 WeakPolarHBondContact O-CG2 3.42Å; S1764-V1768 PolarHBondContact O-N 3.09Å; V1765-V1768 PolarHBondContact O-N 3.21Å; V1768-A1770 VanDerWaalsContact C-N 3.28Å; V1768-A1770 PolarHBondContact O-N 3.21Å; V1768-M1771 WeakPolarHBondContact O-CB 3.37Å; V1768-M1771 PolarHBondContact O-N 3.01Å; V1768-M1771 VanDerWaalsContact O-N 3.12Å; V1768-H1772 PolarHBondContact O-CD2 3.43Å; V1768-H1772 PolarHBondContact O-N 3.3Å; V1768-H1772 PolarHBondContact O-ND1 3.22Å
1769I86.9Confident86.1Confident1 Ų139.2 Ų39.21%0.00521%0.214CC..Hα-helixtrans-61.3-38.5175.1-72.3168.3000111.1M1739 F1743 F1758 L1761 V1765 M1766 M1771 H1772 I1773M1739-I1769 HydrophobicContact CB-CD1 3.9Å; M1739-I1769 HydrophobicContact CB-CG1 4.18Å; M1739-I1769 HydrophobicContact CE-CD1 3.74Å; M1739-I1769 HydrophobicContact CG-CD1 3.87Å; F1743-I1769 HydrophobicContact CE2-CB 4.46Å; F1743-I1769 HydrophobicContact CE2-CG1 4.4Å; F1743-I1769 HydrophobicContact CE2-CG2 3.66Å; F1743-I1769 HydrophobicContact CZ-CG2 3.78Å; F1758-I1769 HydrophobicContact CE2-CG2 4.16Å; F1758-I1769 HydrophobicContact CZ-CB 4.46Å; F1758-I1769 HydrophobicContact CZ-CG2 3.9Å; L1761-I1769 HydrophobicContact CD1-CD1 3.88Å; V1765-I1769 HydrophobicContact CG1-CD1 3.63Å; V1765-I1769 HydrophobicContact CG1-CG1 4.38Å; V1765-I1769 WeakPolarHBondContact O-CB 3.36Å; V1765-I1769 VanDerWaalsContact O-CG1 3.3Å; V1765-I1769 WeakPolarHBondContact O-CG1 3.41Å; V1765-I1769 PolarHBondContact O-N 3.22Å; M1766-I1769 PolarHBondContact O-N 3.14Å; I1769-M1771 VanDerWaalsContact C-N 3.28Å; I1769-M1771 PolarHBondContact O-N 3.05Å; I1769-H1772 WeakPolarHBondContact O-CB 3.38Å; I1769-H1772 PolarHBondContact O-N 3.24Å; I1769-H1772 VanDerWaalsContact O-N 3.14Å; I1769-I1773 HydrophobicContact CG2-CD1 3.63Å; I1769-I1773 HydrophobicContact CG2-CG1 4.03Å; I1769-I1773 WeakPolarHBondContact O-CG1 3.3Å; I1769-I1773 PolarHBondContact O-N 3.1Å
1770A86Confident86.3Confident10.2 Ų10.240.8 Ų40.88%0.08422%0.222CC..Hα-helixtrans-54.8-40.3175.900000112.4M1766 S1767 V1768 H1772 I1773 K1774 L1823 L1826M1766-A1770 WeakPolarHBondContact O-CB 3.24Å; M1766-A1770 PolarHBondContact O-N 3.15Å; S1767-A1770 WeakPolarHBondContact O-CB 3.35Å; S1767-A1770 PolarHBondContact O-N 3.23Å; V1768-A1770 VanDerWaalsContact C-N 3.28Å; V1768-A1770 PolarHBondContact O-N 3.21Å; A1770-H1772 VanDerWaalsContact C-N 3.3Å; A1770-H1772 PolarHBondContact O-N 2.94Å; A1770-I1773 PolarHBondContact O-N 3.08Å; A1770-K1774 VanDerWaalsContact O-CB 3.27Å; A1770-K1774 WeakPolarHBondContact O-CB 3.32Å; A1770-K1774 PolarHBondContact O-N 3.23Å; A1770-L1823 HydrophobicContact CB-CB 4.43Å; A1770-L1823 HydrophobicContact CB-CD1 3.74Å; A1770-L1823 VanDerWaalsContact CB-CD1 3.48Å; A1770-L1823 HydrophobicContact CB-CD2 3.12Å; A1770-L1823 HydrophobicContact CB-CG 3.95Å; A1770-L1826 HydrophobicContact CB-CD1 4.11Å; A1770-L1826 VanDerWaalsContact O-CD1 3.32Å; A1770-L1826 WeakPolarHBondContact O-CD1 3.41Å
1771M86.9Confident86.6Confident139 Ų13943.1 Ų43.169%0.68524%0.235SC*.Hα-helixtrans-64.4-41.5177.2-64179.163.600111.8S1767 V1768 I1769 K1774 A1775S1767-M1771 PolarHBondContact O-N 3.27Å; V1768-M1771 WeakPolarHBondContact O-CB 3.37Å; V1768-M1771 PolarHBondContact O-N 3.01Å; V1768-M1771 VanDerWaalsContact O-N 3.12Å; I1769-M1771 VanDerWaalsContact C-N 3.28Å; I1769-M1771 PolarHBondContact O-N 3.05Å; M1771-K1774 PolarHBondContact O-N 3.17Å; M1771-A1775 PolarHBondContact O-N 3.12Å; M1771-A1775 VanDerWaalsContact O-N 3.08Å
1772H88.3Confident86.8Confident27.8 Ų27.847.3 Ų47.313%0.12926%0.264CS..Hα-helixtrans-66.8-44.1177-65.553.4000112.1F1743 V1768 I1769 A1770 K1774 A1775 I1776 L1789 L1790F1743-H1772 HydrophobicContact CD2-CB 4.47Å; V1768-H1772 PolarHBondContact O-CD2 3.43Å; V1768-H1772 PolarHBondContact O-N 3.3Å; V1768-H1772 PolarHBondContact O-ND1 3.22Å; I1769-H1772 WeakPolarHBondContact O-CB 3.38Å; I1769-H1772 PolarHBondContact O-N 3.24Å; I1769-H1772 VanDerWaalsContact O-N 3.14Å; A1770-H1772 VanDerWaalsContact C-N 3.3Å; A1770-H1772 PolarHBondContact O-N 2.94Å; H1772-K1774 VanDerWaalsContact C-N 3.32Å; H1772-K1774 PolarHBondContact O-N 3.05Å; H1772-A1775 WeakPolarHBondContact O-CB 3.45Å; H1772-A1775 PolarHBondContact O-N 3.25Å; H1772-I1776 WeakPolarHBondContact O-CG1 3.38Å; H1772-I1776 PolarHBondContact O-N 2.93Å; H1772-I1776 VanDerWaalsContact O-N 3.1Å; H1772-L1789 HydrophobicContact CB-CD2 3.95Å; H1772-L1790 WeakPolarHBondContact NE2-CD2 3.48Å
1773I89.3Confident86.8Confident0.4 Ų0.445.5 Ų45.50%0.00227%0.271CS..Hα-helixtrans-62.7-42176.2-65.8177.8000110.3F1743 I1769 A1770 A1775 I1776 Q1777 I1802 L1823 L1826 F1827F1743-I1773 HydrophobicContact CE1-CD1 4.29Å; F1743-I1773 HydrophobicContact CE1-CG1 4.14Å; F1743-I1773 HydrophobicContact CE2-CG1 4.37Å; F1743-I1773 HydrophobicContact CZ-CD1 3.94Å; F1743-I1773 HydrophobicContact CZ-CG1 3.9Å; I1769-I1773 HydrophobicContact CG2-CD1 3.63Å; I1769-I1773 HydrophobicContact CG2-CG1 4.03Å; I1769-I1773 WeakPolarHBondContact O-CG1 3.3Å; I1769-I1773 PolarHBondContact O-N 3.1Å; A1770-I1773 PolarHBondContact O-N 3.08Å; I1773-A1775 VanDerWaalsContact C-N 3.33Å; I1773-A1775 PolarHBondContact O-N 3.1Å; I1773-I1776 PolarHBondContact O-N 3.26Å; I1773-Q1777 WeakPolarHBondContact O-CB 3.37Å; I1773-Q1777 PolarHBondContact O-N 3.17Å; I1773-I1802 HydrophobicContact CD1-CG2 4.42Å; I1773-I1802 HydrophobicContact CG1-CD1 4.38Å; I1773-L1823 HydrophobicContact CD1-CD1 4.43Å; I1773-L1826 HydrophobicContact CB-CD1 4.31Å; I1773-L1826 HydrophobicContact CG2-CB 4.46Å; I1773-L1826 HydrophobicContact CG2-CD1 4.26Å; I1773-F1827 HydrophobicContact CD1-CE1 4.21Å; I1773-F1827 HydrophobicContact CD1-CE2 4.49Å; I1773-F1827 HydrophobicContact CD1-CZ 3.76Å; I1773-F1827 HydrophobicContact CG2-CE1 4.35Å; I1773-F1827 HydrophobicContact CG2-CZ 4.3Å
1774K89.3Confident87Confident95.6 Ų95.642.4 Ų42.442%0.41626%0.262SS..Hα-helixtrans-60.6-42.2176.4-175.876.7-179176.50111.9A1770 M1771 H1772 I1776 Q1777 C1778 L1826A1770-K1774 VanDerWaalsContact O-CB 3.27Å; A1770-K1774 WeakPolarHBondContact O-CB 3.32Å; A1770-K1774 PolarHBondContact O-N 3.23Å; M1771-K1774 PolarHBondContact O-N 3.17Å; H1772-K1774 VanDerWaalsContact C-N 3.32Å; H1772-K1774 PolarHBondContact O-N 3.05Å; K1774-I1776 VanDerWaalsContact C-N 3.34Å; K1774-I1776 PolarHBondContact O-N 3.31Å; K1774-Q1777 WeakPolarHBondContact O-CB 3.25Å; K1774-Q1777 PolarHBondContact O-N 3.04Å; K1774-C1778 VanDerWaalsContact CE-SG 3.57Å; K1774-C1778 WeakPolarHBondContact O-CB 3.33Å; K1774-C1778 PolarHBondContact O-N 3.25Å; K1774-C1778 PolarHBondContact O-SG 3.05Å; K1774-C1778 VanDerWaalsContact O-SG 3.39Å; K1774-L1826 HydrophobicContact CB-CD1 4.34Å; K1774-L1826 HydrophobicContact CB-CD2 4.08Å; K1774-L1826 HydrophobicContact CD-CD2 3.76Å; K1774-L1826 HydrophobicContact CG-CD2 4.18Å
1775A88.4Confident87.1Confident34.6 Ų34.647.2 Ų47.229%0.28628%0.278SS..Hα-helixtrans-60.9-42.8176.300000112M1771 H1772 I1773 C1778 A1779 C1787M1771-A1775 PolarHBondContact O-N 3.12Å; M1771-A1775 VanDerWaalsContact O-N 3.08Å; H1772-A1775 WeakPolarHBondContact O-CB 3.45Å; H1772-A1775 PolarHBondContact O-N 3.25Å; I1773-A1775 VanDerWaalsContact C-N 3.33Å; I1773-A1775 PolarHBondContact O-N 3.1Å; A1775-C1778 PolarHBondContact O-N 3.18Å; A1775-A1779 WeakPolarHBondContact O-CB 3.4Å; A1775-A1779 PolarHBondContact O-N 2.98Å; A1775-A1779 VanDerWaalsContact O-N 3.1Å; A1775-C1787 VanDerWaalsContact C-SG 3.6Å; A1775-C1787 PolarHBondContact O-SG 3.21Å
1776I89.4Confident87.2Confident2.4 Ų2.454.2 Ų54.21%0.01230%0.303CS..Hα-helixtrans-64.3-46.1176.2-63.9164.7000110.6F1743 V1747 H1772 I1773 K1774 C1778 A1779 L1780 L1789 L1796 I1802F1743-I1776 HydrophobicContact CB-CD1 3.94Å; F1743-I1776 HydrophobicContact CD1-CD1 4.39Å; F1743-I1776 HydrophobicContact CG-CD1 4.26Å; V1747-I1776 HydrophobicContact CG2-CD1 3.82Å; V1747-I1776 HydrophobicContact CG2-CG1 4.02Å; V1747-I1776 HydrophobicContact CG2-CG2 3.9Å; H1772-I1776 WeakPolarHBondContact O-CG1 3.38Å; H1772-I1776 PolarHBondContact O-N 2.93Å; H1772-I1776 VanDerWaalsContact O-N 3.1Å; I1773-I1776 PolarHBondContact O-N 3.26Å; K1774-I1776 VanDerWaalsContact C-N 3.34Å; K1774-I1776 PolarHBondContact O-N 3.31Å; I1776-C1778 PolarHBondContact O-N 3.18Å; I1776-A1779 PolarHBondContact O-N 3.11Å; I1776-L1780 HydrophobicContact CG2-CD1 4.01Å; I1776-L1780 HydrophobicContact CG2-CG 4.4Å; I1776-L1780 WeakPolarHBondContact O-CG 3.3Å; I1776-L1780 PolarHBondContact O-N 3.17Å; I1776-L1789 HydrophobicContact CD1-CD1 4.08Å; I1776-L1789 HydrophobicContact CD1-CD2 4.03Å; I1776-L1789 HydrophobicContact CG1-CD1 4.03Å; I1776-L1789 HydrophobicContact CG1-CD2 3.94Å; I1776-L1789 HydrophobicContact CG1-CG 4.36Å; I1776-L1796 HydrophobicContact CG2-CD1 4.46Å; I1776-I1802 HydrophobicContact CD1-CD1 3.91Å; I1776-I1802 HydrophobicContact CG2-CD1 4.38Å
1777Q88.6Confident87.2Confident3.2 Ų3.254.4 Ų54.42%0.01530%0.304CS..Hα-helixtrans-59.3-47.9178.6-177.9-177.918.900111.9G1697 F1698 I1773 K1774 A1779 L1780 Q1781G1697-Q1777 WeakPolarHBondContact O-CG 3.43Å; F1698-Q1777 VanDerWaalsContact CE1-NE2 3.27Å; I1773-Q1777 WeakPolarHBondContact O-CB 3.37Å; I1773-Q1777 PolarHBondContact O-N 3.17Å; K1774-Q1777 WeakPolarHBondContact O-CB 3.25Å; K1774-Q1777 PolarHBondContact O-N 3.04Å; Q1777-A1779 VanDerWaalsContact C-N 3.29Å; Q1777-A1779 PolarHBondContact O-N 3.29Å; Q1777-L1780 PolarHBondContact O-N 3.22Å; Q1777-Q1781 HydrophobicContact CG-CG 4.39Å; Q1777-Q1781 VanDerWaalsContact NE2-NE2 3.18Å; Q1777-Q1781 WeakPolarHBondContact O-CB 3.32Å; Q1777-Q1781 VanDerWaalsContact O-CG 3.3Å; Q1777-Q1781 WeakPolarHBondContact O-CG 3.35Å; Q1777-Q1781 PolarHBondContact O-N 3.29Å
1778C88.9Confident87.2Confident57.6 Ų57.658.1 Ų58.139%0.38931%0.314SS..Hα-helixtrans-61.3-38.9177.1-72.10000111.9K1774 A1775 I1776 Q1781 S1782K1774-C1778 VanDerWaalsContact CE-SG 3.57Å; K1774-C1778 WeakPolarHBondContact O-CB 3.33Å; K1774-C1778 PolarHBondContact O-N 3.25Å; K1774-C1778 PolarHBondContact O-SG 3.05Å; K1774-C1778 VanDerWaalsContact O-SG 3.39Å; A1775-C1778 PolarHBondContact O-N 3.18Å; I1776-C1778 PolarHBondContact O-N 3.18Å; C1778-Q1781 PolarHBondContact O-N 2.88Å; C1778-S1782 WeakPolarHBondContact O-CB 3.38Å; C1778-S1782 PolarHBondContact O-N 3.11Å; C1778-S1782 PolarHBondContact O-OG 3.36Å
1779A88.9Confident86.9Confident8.4 Ų8.455.6 Ų55.67%0.06930%0.299CS..Hα-helixtrans-68-39.6176.900000112.1A1775 I1776 Q1777 S1782 G1783 S1784 C1787 L1796A1775-A1779 WeakPolarHBondContact O-CB 3.4Å; A1775-A1779 PolarHBondContact O-N 2.98Å; A1775-A1779 VanDerWaalsContact O-N 3.1Å; I1776-A1779 PolarHBondContact O-N 3.11Å; Q1777-A1779 VanDerWaalsContact C-N 3.29Å; Q1777-A1779 PolarHBondContact O-N 3.29Å; A1779-S1782 WeakPolarHBondContact CA-OG 3.31Å; A1779-S1782 PolarHBondContact O-OG 3.29Å; A1779-S1782 VanDerWaalsContact O-OG 3.13Å; A1779-G1783 PolarHBondContact O-N 3.31Å; A1779-S1784 PolarHBondContact O-N 3.23Å; A1779-C1787 HydrophobicContact CB-CB 3.86Å; A1779-L1796 HydrophobicContact CB-CD2 3.42Å; A1779-L1796 VanDerWaalsContact CB-CD2 3.47Å
1780L88Confident86.2Confident39.8 Ų39.859.1 Ų59.121%0.20832%0.317CS..Hα-helixtrans-65.5-42.9174.1-73172.5000112.2I1776 Q1777 G1783 L1796I1776-L1780 HydrophobicContact CG2-CD1 4.01Å; I1776-L1780 HydrophobicContact CG2-CG 4.4Å; I1776-L1780 WeakPolarHBondContact O-CG 3.3Å; I1776-L1780 PolarHBondContact O-N 3.17Å; Q1777-L1780 PolarHBondContact O-N 3.22Å; L1780-G1783 PolarHBondContact O-N 3.12Å; L1780-L1796 HydrophobicContact CD2-CD1 3.82Å; L1780-L1796 HydrophobicContact CD2-CD2 3.95Å; L1780-L1796 HydrophobicContact CD2-CG 4.09Å; L1780-L1796 HydrophobicContact CG-CD1 4.19Å; L1780-L1796 HydrophobicContact CG-CD2 4.11Å
1781Q88.1Confident85.5Confident89.4 Ų89.465.2 Ų65.242%0.41835%0.348SS..Hα-helixtrans-68.3-36.1-179.9-74.5179.4-22.500113.1L1696 Q1777 C1778 G1783L1696-Q1781 VanDerWaalsContact O-CG 3.28Å; L1696-Q1781 WeakPolarHBondContact O-CG 3.39Å; L1696-Q1781 PolarHBondContact O-NE2 3.04Å; L1696-Q1781 VanDerWaalsContact O-NE2 3.11Å; Q1777-Q1781 HydrophobicContact CG-CG 4.39Å; Q1777-Q1781 VanDerWaalsContact NE2-NE2 3.18Å; Q1777-Q1781 WeakPolarHBondContact O-CB 3.32Å; Q1777-Q1781 VanDerWaalsContact O-CG 3.3Å; Q1777-Q1781 WeakPolarHBondContact O-CG 3.35Å; Q1777-Q1781 PolarHBondContact O-N 3.29Å; C1778-Q1781 PolarHBondContact O-N 2.88Å; Q1781-G1783 VanDerWaalsContact C-N 3.27Å; Q1781-G1783 PolarHBondContact O-N 3.25Å
1782S87.9Confident84.8Confident88.4 Ų88.464.5 Ų64.562%0.61834%0.338SS*.Hα-helixtrans-78.7-9175.454.50000113.5C1778 A1779 S1784C1778-S1782 WeakPolarHBondContact O-CB 3.38Å; C1778-S1782 PolarHBondContact O-N 3.11Å; C1778-S1782 PolarHBondContact O-OG 3.36Å; A1779-S1782 WeakPolarHBondContact CA-OG 3.31Å; A1779-S1782 PolarHBondContact O-OG 3.29Å; A1779-S1782 VanDerWaalsContact O-OG 3.13Å; S1782-S1784 PolarHBondContact O-N 3.05Å
1783G83.8Confident84.5Confident58.4 Ų58.469.8 Ų69.860%0.60236%0.363SS*.THydrogen-bonded Turntrans67.622.5-173.800000113.5A1779 L1780 Q1781A1779-G1783 PolarHBondContact O-N 3.31Å; L1780-G1783 PolarHBondContact O-N 3.12Å; Q1781-G1783 VanDerWaalsContact C-N 3.27Å; Q1781-G1783 PolarHBondContact O-N 3.25Å
1784S86.9Confident84.2Confident50.2 Ų50.270.3 Ų70.335%0.35137%0.366SS..  trans-67.6136.5178.7-178.60000111A1779 S1782 R1786 L1796A1779-S1784 PolarHBondContact O-N 3.23Å; S1782-S1784 PolarHBondContact O-N 3.05Å; S1784-R1786 WeakPolarHBondContact CB-O 3.44Å; S1784-R1786 PolarHBondContact O-N 3.11Å; S1784-R1786 PolarHBondContact OG-N 3.2Å; S1784-R1786 PolarHBondContact OG-O 3.3Å; S1784-L1796 WeakPolarHBondContact O-CD2 3.35Å
1785E86Confident84Confident164.8 Ų164.869.3 Ų69.377%0.7737%0.369SS*.SBendtrans-78.3-7.3175.3-61.5-174167.100113P1795 L1796E1785-P1795 WeakPolarHBondContact O-CA 3.4Å; E1785-L1796 PolarHBondContact O-N 3.13Å
1786R86.3Confident83.9Confident159.6 Ų159.668.4 Ų68.460%0.60236%0.359SS*.EExtended strand (participates in β ladder)trans-135.2144.7-178.6-65.7-174.9172.9165.81.3111.5S1784 E1793 V1794S1784-R1786 WeakPolarHBondContact CB-O 3.44Å; S1784-R1786 PolarHBondContact O-N 3.11Å; S1784-R1786 PolarHBondContact OG-N 3.2Å; S1784-R1786 PolarHBondContact OG-O 3.3Å; R1786-E1793 IonicContact NH1-OE2 3.17Å; R1786-V1794 WeakPolarHBondContact CA-O 3.38Å
1787C85.1Confident83.8Confident4.4 Ų4.470.7 Ų70.73%0.0337%0.372CS..EExtended strand (participates in β ladder)trans-129.3139.1177.7-178.60000110.3A1775 A1779 L1789 E1793 V1794 L1796A1775-C1787 VanDerWaalsContact C-SG 3.6Å; A1775-C1787 PolarHBondContact O-SG 3.21Å; A1779-C1787 HydrophobicContact CB-CB 3.86Å; C1787-L1789 PolarHBondContact O-N 3.46Å; C1787-E1793 WeakPolarHBondContact O-CA 3.19Å; C1787-V1794 PolarHBondContact N-O 3.11Å; C1787-V1794 PolarHBondContact O-N 3.09Å; C1787-L1796 HydrophobicContact CB-CB 4.38Å; C1787-L1796 HydrophobicContact CB-CD2 4.38Å
1788K83.9Confident83.6Confident128 Ų12875 Ų7556%0.55740%0.402SS*.EExtended strand (participates in β ladder)trans-87.1112.8174.3-170.1179.5174-172.60110.1D1791 R1792K1788-D1791 WeakPolarHBondContact CE-OD1 3.3Å; K1788-D1791 IonicContact NZ-OD1 3.1Å; K1788-D1791 PolarHBondContact NZ-OD1 3.08Å; K1788-D1791 VanDerWaalsContact NZ-OD1 3.09Å; K1788-R1792 CarbonylContact C-O 3.52Å; K1788-R1792 VanDerWaalsContact CA-O 3.29Å; K1788-R1792 WeakPolarHBondContact CA-O 3.31Å
1789L78.5Confident83.5Confident4.2 Ų4.274.7 Ų74.72%0.02240%0.396CS..EExtended strand (participates in β ladder)trans-129.4132.6177.1-73.8169000109.5A1744 V1747 H1772 I1776 C1787 D1791 R1792 V1794A1744-L1789 HydrophobicContact CB-CD1 4.4Å; V1747-L1789 HydrophobicContact CG2-CD1 4.5Å; H1772-L1789 HydrophobicContact CB-CD2 3.95Å; I1776-L1789 HydrophobicContact CD1-CD1 4.08Å; I1776-L1789 HydrophobicContact CD1-CD2 4.03Å; I1776-L1789 HydrophobicContact CG1-CD1 4.03Å; I1776-L1789 HydrophobicContact CG1-CD2 3.94Å; I1776-L1789 HydrophobicContact CG1-CG 4.36Å; C1787-L1789 PolarHBondContact O-N 3.46Å; L1789-D1791 VanDerWaalsContact C-N 3.27Å; L1789-D1791 PolarHBondContact O-N 3Å; L1789-R1792 PolarHBondContact N-O 3.35Å; L1789-R1792 WeakPolarHBondContact O-CA 3.32Å; L1789-R1792 WeakPolarHBondContact O-CB 3.39Å; L1789-R1792 PolarHBondContact O-N 3.24Å; L1789-V1794 HydrophobicContact CB-CG2 4.37Å
1790L71.2Confident83.5Confident73.8 Ų73.874.7 Ų74.739%0.38640%0.396SS..THydrogen-bonded Turntrans51.741.4-178.1-63171.1000113.7A1740 H1772 R1792A1740-L1790 HydrophobicContact CB-CD1 3.56Å; A1740-L1790 HydrophobicContact CB-CD2 3.58Å; A1740-L1790 VanDerWaalsContact CB-CD2 3.47Å; A1740-L1790 HydrophobicContact CB-CG 3.58Å; H1772-L1790 WeakPolarHBondContact NE2-CD2 3.48Å; L1790-R1792 PolarHBondContact O-N 3.2Å; L1790-R1792 VanDerWaalsContact O-N 3.13Å
1791D71.6Confident83.5Confident138.6 Ų138.673.3 Ų73.374%0.74139%0.39SS*.THydrogen-bonded Turntrans59.717.9-173-65.7-52.1000115.9K1788 L1789K1788-D1791 WeakPolarHBondContact CE-OD1 3.3Å; K1788-D1791 IonicContact NZ-OD1 3.1Å; K1788-D1791 PolarHBondContact NZ-OD1 3.08Å; K1788-D1791 VanDerWaalsContact NZ-OD1 3.09Å; L1789-D1791 VanDerWaalsContact C-N 3.27Å; L1789-D1791 PolarHBondContact O-N 3Å
1792R73.2Confident83.7Confident124.2 Ų124.269.5 Ų69.547%0.46937%0.373SS..EExtended strand (participates in β ladder)trans-118.7142.8176.9-60.9178.6-175.8-173.92.5110.9E1439 K1788 L1789 L1790E1439-R1792 PolarHBondContact O-NH1 3.39Å; E1439-R1792 IonicContact OE1-CZ 3.78Å; E1439-R1792 IonicContact OE1-NH2 3.67Å; E1439-R1792 PolarHBondContact OE1-NH2 2.81Å; K1788-R1792 CarbonylContact C-O 3.52Å; K1788-R1792 VanDerWaalsContact CA-O 3.29Å; K1788-R1792 WeakPolarHBondContact CA-O 3.31Å; L1789-R1792 PolarHBondContact N-O 3.35Å; L1789-R1792 WeakPolarHBondContact O-CA 3.32Å; L1789-R1792 WeakPolarHBondContact O-CB 3.39Å; L1789-R1792 PolarHBondContact O-N 3.24Å; L1790-R1792 PolarHBondContact O-N 3.2Å; L1790-R1792 VanDerWaalsContact O-N 3.13Å
1793E81.6Confident83.9Confident140.4 Ų140.465.3 Ų65.366%0.65634%0.343SS*.EExtended strand (participates in β ladder)trans-82.5123.1168.4-68.8-169.917400110.2R1786 C1787R1786-E1793 IonicContact NH1-OE2 3.17Å; C1787-E1793 WeakPolarHBondContact O-CA 3.19Å
1794V82.3Confident84.2Confident10.4 Ų10.462.6 Ų62.66%0.06332%0.315CS..EExtended strand (participates in β ladder)trans-116.9133.7-177.8172.70000108.6A1744 V1747 Q1748 R1786 C1787 L1789 L1796A1744-V1794 HydrophobicContact CB-CG1 4.45Å; A1744-V1794 HydrophobicContact CB-CG2 4.45Å; V1747-V1794 HydrophobicContact CG1-CG1 4.22Å; Q1748-V1794 HydrophobicContact CG-CG1 3.37Å; Q1748-V1794 VanDerWaalsContact CG-CG1 3.43Å; Q1748-V1794 VanDerWaalsContact NE2-CG1 3.3Å; R1786-V1794 WeakPolarHBondContact CA-O 3.38Å; C1787-V1794 PolarHBondContact N-O 3.11Å; C1787-V1794 PolarHBondContact O-N 3.09Å; L1789-V1794 HydrophobicContact CB-CG2 4.37Å; V1794-L1796 PolarHBondContact O-N 3.08Å
1795P85.5Confident84.2Confident74 Ų7460.2 Ų60.248%0.48130%0.298SS..EExtended strand (participates in β ladder)trans-61.2129.2172.35.6-5.6000110.6Q1748 E1785Q1748-P1795 HydrophobicContact CG-CG 4.1Å; E1785-P1795 WeakPolarHBondContact O-CA 3.4Å
1796L87.1Confident84.1Confident15.4 Ų15.453.2 Ų53.28%0.08127%0.266CS..PPolyproline II helixtrans-102119.6-177.9173.664.7000110.3V1747 I1776 A1779 L1780 S1784 E1785 C1787 V1794 S1798 S1800V1747-L1796 HydrophobicContact CB-CD1 4.28Å; V1747-L1796 HydrophobicContact CG1-CB 4.04Å; V1747-L1796 HydrophobicContact CG1-CD1 3.41Å; V1747-L1796 VanDerWaalsContact CG1-CD1 3.42Å; V1747-L1796 HydrophobicContact CG1-CG 4.31Å; V1747-L1796 HydrophobicContact CG2-CD1 4.17Å; I1776-L1796 HydrophobicContact CG2-CD1 4.46Å; A1779-L1796 HydrophobicContact CB-CD2 3.42Å; A1779-L1796 VanDerWaalsContact CB-CD2 3.47Å; L1780-L1796 HydrophobicContact CD2-CD1 3.82Å; L1780-L1796 HydrophobicContact CD2-CD2 3.95Å; L1780-L1796 HydrophobicContact CD2-CG 4.09Å; L1780-L1796 HydrophobicContact CG-CD1 4.19Å; L1780-L1796 HydrophobicContact CG-CD2 4.11Å; S1784-L1796 WeakPolarHBondContact O-CD2 3.35Å; E1785-L1796 PolarHBondContact O-N 3.13Å; C1787-L1796 HydrophobicContact CB-CB 4.38Å; C1787-L1796 HydrophobicContact CB-CD2 4.38Å; V1794-L1796 PolarHBondContact O-N 3.08Å; L1796-S1798 PolarHBondContact O-N 3.49Å; L1796-S1800 WeakPolarHBondContact CD1-OG 2.93Å
1797N86.8Confident83.7Confident52 Ų5246 Ų4628%0.27824%0.24SC..PPolyproline II helixtrans-83.9118.8167-168.9-34.6000109.1V1747 G1750 N1799 S1800V1747-N1797 VanDerWaalsContact O-CB 3.28Å; V1747-N1797 WeakPolarHBondContact O-CB 3.35Å; V1747-N1797 PolarHBondContact O-N 3.32Å; G1750-N1797 VanDerWaalsContact CA-CG 3.5Å; G1750-N1797 WeakPolarHBondContact CA-ND2 3.11Å; N1797-N1799 PolarHBondContact O-N 3.14Å; N1797-N1799 WeakPolarHBondContact OD1-CB 3.42Å; N1797-N1799 PolarHBondContact OD1-N 2.98Å; N1797-N1799 VanDerWaalsContact OD1-N 3.12Å; N1797-N1799 PolarHBondContact OD1-ND2 3.02Å; N1797-S1800 VanDerWaalsContact O-CB 3.31Å; N1797-S1800 WeakPolarHBondContact O-CB 3.32Å; N1797-S1800 PolarHBondContact O-N 2.93Å; N1797-S1800 PolarHBondContact O-OG 3.15Å; N1797-S1800 VanDerWaalsContact O-OG 3.06Å
1798S84.9Confident83Confident93.8 Ų93.849.3 Ų49.366%0.65626%0.261SS*.THydrogen-bonded Turntrans-59.8-13.9-178.720.80000114.3L1796L1796-S1798 PolarHBondContact O-N 3.49Å
1799N85.6Confident81.9Confident49.8 Ų49.846.3 Ų46.327%0.26626%0.26SS..THydrogen-bonded Turntrans-90.4-1.8177.4-55.9-69.8000114.7R1723 W1752 N1797R1723-N1799 VanDerWaalsContact CZ-CB 3.44Å; R1723-N1799 VanDerWaalsContact NH1-CA 3.3Å; R1723-N1799 VanDerWaalsContact NH1-CB 3.31Å; R1723-N1799 PolarHBondContact NH1-O 3.41Å; R1723-N1799 VanDerWaalsContact NH2-CG 3.26Å; R1723-N1799 PolarHBondContact NH2-OD1 2.98Å; R1723-N1799 VanDerWaalsContact NH2-OD1 3.08Å; W1752-N1799 PolarHBondContact NE1-O 3.3Å; W1752-N1799 VanDerWaalsContact NE1-O 3.15Å; N1797-N1799 PolarHBondContact O-N 3.14Å; N1797-N1799 WeakPolarHBondContact OD1-CB 3.42Å; N1797-N1799 PolarHBondContact OD1-N 2.98Å; N1797-N1799 VanDerWaalsContact OD1-N 3.12Å; N1797-N1799 PolarHBondContact OD1-ND2 3.02Å
1800S88.5Confident81Confident9.4 Ų9.447.9 Ų47.97%0.06628%0.278CS..  trans-66.8144.3176.161.40000111L1796 N1797L1796-S1800 WeakPolarHBondContact CD1-OG 2.93Å; N1797-S1800 VanDerWaalsContact O-CB 3.31Å; N1797-S1800 WeakPolarHBondContact O-CB 3.32Å; N1797-S1800 PolarHBondContact O-N 2.93Å; N1797-S1800 PolarHBondContact O-OG 3.15Å; N1797-S1800 VanDerWaalsContact O-OG 3.06Å
1801A89.2Confident80.1Confident10.2 Ų10.254.6 Ų54.68%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-144.5146177.400000111M1694 W1752 G1753 F1803M1694-A1801 HydrophobicContact CE-CB 3.67Å; M1694-A1801 HydrophobicContact CG-CB 4.36Å; M1694-A1801 HydrophobicContact SD-CB 4.15Å; W1752-A1801 WeakPolarHBondContact CA-O 3.41Å; W1752-A1801 HydrophobicContact CD2-CB 4.21Å; W1752-A1801 HydrophobicContact CG-CB 4.07Å; G1753-A1801 PolarHBondContact N-O 3.15Å; A1801-F1803 HydrophobicContact CB-CD2 4.44Å; A1801-F1803 HydrophobicContact CB-CE2 3.64Å; A1801-F1803 HydrophobicContact CB-CZ 4.22Å
1802I91.4Very high79.2Confident8.8 Ų8.855.8 Ų55.85%0.04530%0.304CS..EExtended strand (participates in β ladder)trans-118.7129.3179.3-62166.2000108.5C1699 A1700 F1743 G1753 F1755 I1773 I1776 F1827C1699-I1802 WeakPolarHBondContact CA-O 3.38Å; C1699-I1802 HydrophobicContact CB-CB 4.43Å; C1699-I1802 VanDerWaalsContact CB-O 3.28Å; C1699-I1802 WeakPolarHBondContact CB-O 3.33Å; A1700-I1802 PolarHBondContact N-O 3.14Å; F1743-I1802 HydrophobicContact CD1-CD1 3.65Å; F1743-I1802 HydrophobicContact CD1-CG1 4.3Å; F1743-I1802 HydrophobicContact CE1-CD1 3.75Å; F1743-I1802 HydrophobicContact CE1-CG1 4.26Å; F1743-I1802 HydrophobicContact CE1-CG2 4.13Å; G1753-I1802 CarbonylContact O-C 3.42Å; G1753-I1802 WeakPolarHBondContact O-CA 3.31Å; F1755-I1802 HydrophobicContact CD2-CG2 4.05Å; F1755-I1802 HydrophobicContact CE2-CG2 3.96Å; I1773-I1802 HydrophobicContact CD1-CG2 4.42Å; I1773-I1802 HydrophobicContact CG1-CD1 4.38Å; I1776-I1802 HydrophobicContact CD1-CD1 3.91Å; I1776-I1802 HydrophobicContact CG2-CD1 4.38Å; I1802-F1827 HydrophobicContact CG2-CE1 4.45Å
1803F92.1Very high78.4Confident1.4 Ų1.453.2 Ų53.21%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-122138.6177-61.3-95000108.8F1690 M1694 A1700 V1714 W1752 G1753 C1754 F1755 A1801F1690-F1803 HydrophobicContact CB-CE1 4.33Å; F1690-F1803 HydrophobicContact CD1-CE1 4.36Å; F1690-F1803 HydrophobicContact CD2-CE1 4.34Å; F1690-F1803 HydrophobicContact CG-CE1 4.11Å; M1694-F1803 HydrophobicContact CG-CZ 4.46Å; M1694-F1803 HydrophobicContact SD-CZ 4.11Å; A1700-F1803 HydrophobicContact CB-CD1 3.72Å; A1700-F1803 HydrophobicContact CB-CE1 3.78Å; A1700-F1803 WeakPolarHBondContact O-CA 3.3Å; V1714-F1803 HydrophobicContact CB-CD1 4.42Å; V1714-F1803 HydrophobicContact CB-CG 4.45Å; V1714-F1803 HydrophobicContact CG1-CB 4.05Å; V1714-F1803 HydrophobicContact CG1-CD1 3.94Å; V1714-F1803 HydrophobicContact CG1-CD2 3.62Å; V1714-F1803 HydrophobicContact CG1-CE1 4.31Å; V1714-F1803 HydrophobicContact CG1-CE2 4.01Å; V1714-F1803 HydrophobicContact CG1-CG 3.59Å; V1714-F1803 HydrophobicContact CG1-CZ 4.34Å; V1714-F1803 HydrophobicContact CG2-CB 4.24Å; V1714-F1803 HydrophobicContact CG2-CD1 3.86Å; V1714-F1803 HydrophobicContact CG2-CE1 4.25Å; V1714-F1803 HydrophobicContact CG2-CG 4.1Å; W1752-F1803 HydrophobicContact CB-CE2 4.33Å; W1752-F1803 AromaticContact CD2-CE2 3.75Å; W1752-F1803 HydrophobicContact CD2-CE2 3.75Å; W1752-F1803 HydrophobicContact CD2-CZ 4.38Å; W1752-F1803 HydrophobicContact CE3-CD2 4.35Å; W1752-F1803 AromaticContact CE3-CE2 3.39Å; W1752-F1803 HydrophobicContact CE3-CE2 3.39Å; W1752-F1803 VanDerWaalsContact CE3-CE2 3.43Å; W1752-F1803 AromaticContact CE3-CZ 3.81Å; W1752-F1803 HydrophobicContact CE3-CZ 3.81Å; W1752-F1803 HydrophobicContact CG-CE2 4.18Å; W1752-F1803 HydrophobicContact CH2-CE2 4.36Å; W1752-F1803 HydrophobicContact CH2-CZ 4.2Å; W1752-F1803 AromaticContact CZ3-CE2 3.81Å; W1752-F1803 HydrophobicContact CZ3-CE2 3.81Å; W1752-F1803 AromaticContact CZ3-CZ 3.69Å; W1752-F1803 HydrophobicContact CZ3-CZ 3.69Å; G1753-F1803 PolarHBondContact O-N 3.09Å; C1754-F1803 CarbonylContact C-O 3.56Å; C1754-F1803 WeakPolarHBondContact CA-O 3.37Å; C1754-F1803 HydrophobicContact CB-CB 4.41Å; F1755-F1803 PolarHBondContact N-O 3.27Å; A1801-F1803 HydrophobicContact CB-CD2 4.44Å; A1801-F1803 HydrophobicContact CB-CE2 3.64Å; A1801-F1803 HydrophobicContact CB-CZ 4.22Å
1804I90.4Very high77.2Confident1.2 Ų1.249.3 Ų49.31%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-118.3138.4169.461.4166.9000108.6A1700 N1701 P1702 F1755 F1758 L1806 F1827A1700-I1804 PolarHBondContact O-N 3.05Å; A1700-I1804 VanDerWaalsContact O-N 3.1Å; N1701-I1804 WeakPolarHBondContact CA-O 3.32Å; N1701-I1804 HydrophobicContact CB-CD1 4.01Å; N1701-I1804 HydrophobicContact CB-CG1 3.67Å; N1701-I1804 PolarHBondContact OD1-O 3.11Å; P1702-I1804 VanDerWaalsContact CD-O 3.24Å; P1702-I1804 WeakPolarHBondContact CD-O 3.39Å; F1755-I1804 HydrophobicContact CB-CG2 4.32Å; F1755-I1804 WeakPolarHBondContact O-CA 3.25Å; F1758-I1804 HydrophobicContact CB-CB 4.11Å; F1758-I1804 HydrophobicContact CB-CG2 4.3Å; F1758-I1804 HydrophobicContact CD1-CD1 4.34Å; F1758-I1804 HydrophobicContact CD1-CG2 4.4Å; F1758-I1804 HydrophobicContact CD2-CG2 3.85Å; F1758-I1804 HydrophobicContact CE2-CG2 4.3Å; F1758-I1804 HydrophobicContact CG-CB 4.27Å; F1758-I1804 HydrophobicContact CG-CG2 3.97Å; I1804-L1806 HydrophobicContact CD1-CD1 4.36Å; I1804-F1827 HydrophobicContact CB-CE1 4.3Å; I1804-F1827 HydrophobicContact CB-CZ 4.39Å; I1804-F1827 HydrophobicContact CD1-CB 4.43Å; I1804-F1827 HydrophobicContact CD1-CD1 3.83Å; I1804-F1827 HydrophobicContact CD1-CD2 3.51Å; I1804-F1827 VanDerWaalsContact CD1-CD2 3.46Å; I1804-F1827 HydrophobicContact CD1-CE1 3.85Å; I1804-F1827 HydrophobicContact CD1-CE2 3.53Å; I1804-F1827 VanDerWaalsContact CD1-CE2 3.49Å; I1804-F1827 HydrophobicContact CD1-CG 3.68Å; I1804-F1827 HydrophobicContact CD1-CZ 3.71Å; I1804-F1827 HydrophobicContact CG1-CD1 3.7Å; I1804-F1827 HydrophobicContact CG1-CD2 4.31Å; I1804-F1827 HydrophobicContact CG1-CE1 3.76Å; I1804-F1827 HydrophobicContact CG1-CE2 4.36Å; I1804-F1827 HydrophobicContact CG1-CG 4.01Å; I1804-F1827 HydrophobicContact CG1-CZ 4.09Å; I1804-F1827 HydrophobicContact CG2-CD1 4.39Å; I1804-F1827 HydrophobicContact CG2-CE1 3.63Å; I1804-F1827 HydrophobicContact CG2-CE2 4.31Å; I1804-F1827 HydrophobicContact CG2-CZ 3.73Å; I1804-F1827 VanDerWaalsContact CG2-CZ 3.49Å
1805T87.8Confident76.2Confident0.2 Ų0.250.6 Ų50.60%0.00131%0.308CS..  trans-111.4138.8173.468.40000109.7P1702 K1710 F1755 D1756 E1757 F1758P1702-T1805 HydrophobicContact CG-CG2 3.87Å; P1702-T1805 WeakPolarHBondContact O-CA 3.3Å; K1710-T1805 HydrophobicContact CB-CG2 4.12Å; F1755-T1805 PolarHBondContact O-N 3.29Å; D1756-T1805 VanDerWaalsContact CA-OG1 3.27Å; D1756-T1805 WeakPolarHBondContact CA-OG1 3.44Å; D1756-T1805 PolarHBondContact OD1-OG1 3.24Å; E1757-T1805 WeakPolarHBondContact CA-O 3.33Å; E1757-T1805 PolarHBondContact N-O 2.99Å; E1757-T1805 VanDerWaalsContact N-O 3.16Å; E1757-T1805 PolarHBondContact N-OG1 3.02Å; F1758-T1805 PolarHBondContact N-O 3.15Å
1806L82.5Confident75.5Confident17 Ų1748.6 Ų48.69%0.08929%0.291CS..BIsolated β-bridgetrans-131.7132.5-177.2-58172.1000111.4N1701 P1702 Y1703 G1704 K1710 F1758 N1759 I1804 I1819N1701-L1806 VanDerWaalsContact ND2-CD1 3.31Å; N1701-L1806 WeakPolarHBondContact ND2-CD1 3.3Å; N1701-L1806 VanDerWaalsContact OD1-CD1 3.24Å; N1701-L1806 WeakPolarHBondContact OD1-CD1 3.39Å; N1701-L1806 WeakPolarHBondContact OD1-CG 3.35Å; P1702-L1806 PolarHBondContact O-N 3.04Å; Y1703-L1806 VanDerWaalsContact CA-O 3.3Å; Y1703-L1806 WeakPolarHBondContact CA-O 3.34Å; G1704-L1806 PolarHBondContact N-O 3.23Å; G1704-L1806 VanDerWaalsContact N-O 3.12Å; K1710-L1806 WeakPolarHBondContact CE-O 3.32Å; F1758-L1806 HydrophobicContact CB-CD2 3.88Å; N1759-L1806 HydrophobicContact CB-CD2 3.95Å; I1804-L1806 HydrophobicContact CD1-CD1 4.36Å; L1806-I1819 HydrophobicContact CD1-CD1 3.24Å; L1806-I1819 HydrophobicContact CD1-CG1 4.49Å; L1806-I1819 HydrophobicContact CD2-CD1 3.39Å; L1806-I1819 VanDerWaalsContact CD2-CD1 3.5Å; L1806-I1819 HydrophobicContact CD2-CG1 4.45Å; L1806-I1819 HydrophobicContact CG-CD1 3.93Å
1807N78Confident74.9Confident9.2 Ų9.250.7 Ų50.75%0.04930%0.3CS..  trans-94.6129.5162.1-70.4-35.2000107.9G1704 K1710 E1757 N1759 A1809 R1816G1704-N1807 PolarHBondContact O-OD1 3.35Å; G1704-N1807 VanDerWaalsContact O-OD1 3.12Å; K1710-N1807 VanDerWaalsContact CE-OD1 3.28Å; K1710-N1807 WeakPolarHBondContact CE-OD1 3.43Å; K1710-N1807 PolarHBondContact NZ-OD1 3.1Å; E1757-N1807 PolarHBondContact OE1-ND2 3.36Å; N1759-N1807 PolarHBondContact ND2-O 3.12Å; N1807-A1809 PolarHBondContact O-N 3.1Å; N1807-R1816 VanDerWaalsContact CB-CZ 3.43Å; N1807-R1816 VanDerWaalsContact CB-NH1 3.29Å; N1807-R1816 PolarHBondContact ND2-NH2 3.1Å
1808P70.1Confident74.3Confident72.8 Ų72.856.2 Ų56.247%0.47332%0.322SS..  trans-60.2139.6-178.724.4-32.7000111.3G1704 G1810 Y1813G1704-P1808 WeakPolarHBondContact O-CD 3.36Å; P1808-G1810 VanDerWaalsContact C-N 3.32Å; P1808-G1810 PolarHBondContact O-N 3.09Å; P1808-Y1813 WeakPolarHBondContact O-CD2 3.17Å
1809A61.3Low74Confident65 Ų6552.5 Ų52.554%0.53729%0.294SS..  trans-73.787.9176.600000110N1807 R1816N1807-A1809 PolarHBondContact O-N 3.1Å; A1809-R1816 HydrophobicContact CB-CB 4.41Å
1810G59.3Low73.6Confident38.4 Ų38.451.3 Ų51.340%0.39629%0.289SS..  trans-89.8162.6169.200000111.5P1808 H1812 Y1813P1808-G1810 VanDerWaalsContact C-N 3.32Å; P1808-G1810 PolarHBondContact O-N 3.09Å; G1810-H1812 PolarHBondContact O-N 3.04Å; G1810-Y1813 PolarHBondContact O-N 3.1Å; G1810-Y1813 VanDerWaalsContact O-N 3.11Å
1811K52.7Low73.1Confident214.6 Ų214.655.8 Ų55.893%0.93331%0.313SS*.THydrogen-bonded Turntrans-55.4-14.3-178.1-72-173.8176-176.70115.6
1812H52Low72.5Confident163.4 Ų163.460.5 Ų60.576%0.75634%0.336SS*.THydrogen-bonded Turntrans-103.9-0-175.8-60.6-65.2000114.6G1810 P2136G1810-H1812 PolarHBondContact O-N 3.04Å; H1812-P2136 HydrophobicContact CB-CG 4.39Å; H1812-P2136 WeakPolarHBondContact O-CD 3.22Å
1813Y56.7Low71.8Confident69.8 Ų69.860.3 Ų60.327%0.27434%0.335SS..  trans-116.794-179.8-61.3-76.8000109.5T1706 P1808 G1810 R1816 P2136T1706-Y1813 PolarHBondContact OG1-OH 3.42Å; P1808-Y1813 WeakPolarHBondContact O-CD2 3.17Å; G1810-Y1813 PolarHBondContact O-N 3.1Å; G1810-Y1813 VanDerWaalsContact O-N 3.11Å; Y1813-R1816 VanDerWaalsContact CB-NH1 3.34Å; Y1813-P2136 HydrophobicContact CE1-CG 4.4Å
1814G56.6Low71.3Confident59.2 Ų59.264.5 Ų64.561%0.6135%0.353SS*.THydrogen-bonded Turntrans-62.7159.9171.600000112.2R1816G1814-R1816 VanDerWaalsContact C-N 3.33Å; G1814-R1816 PolarHBondContact O-N 3.15Å
1815G60.8Low70.9Confident36.4 Ų36.471 Ų7138%0.37539%0.387SS..THydrogen-bonded Turntrans76.17.3174.600000116.5
1816R72.1Confident70.7Confident32.4 Ų32.471.7 Ų71.712%0.12239%0.391CS..  trans-106.9121179.5-73.3179.3177.5157.26.2112.2E1757 N1759 R1760 N1807 A1809 Y1813 G1814 E2096E1757-R1816 IonicContact OE1-CZ 2.98Å; E1757-R1816 IonicContact OE1-NH2 3.75Å; E1757-R1816 PolarHBondContact OE1-NH2 3.03Å; E1757-R1816 IonicContact OE2-CZ 2.8Å; E1757-R1816 IonicContact OE2-NE 3.88Å; E1757-R1816 IonicContact OE2-NH2 3.6Å; E1757-R1816 PolarHBondContact OE2-NH2 3.3Å; N1759-R1816 WeakPolarHBondContact ND2-CD 3.42Å; R1760-R1816 HydrophobicContact CG-CG 4.3Å; N1807-R1816 VanDerWaalsContact CB-CZ 3.43Å; N1807-R1816 VanDerWaalsContact CB-NH1 3.29Å; N1807-R1816 PolarHBondContact ND2-NH2 3.1Å; A1809-R1816 HydrophobicContact CB-CB 4.41Å; Y1813-R1816 VanDerWaalsContact CB-NH1 3.34Å; G1814-R1816 VanDerWaalsContact C-N 3.33Å; G1814-R1816 PolarHBondContact O-N 3.15Å; R1816-E2096 IonicContact NH2-OE1 3.91Å
1817Q73.3Confident70.9Confident59.8 Ų59.871.3 Ų71.328%0.27939%0.389SS..PPolyproline II helixtrans-87.7154.7-179.3-55.6-168.73.400111.5N1759 L1761 M1766N1759-Q1817 WeakPolarHBondContact CB-O 3.37Å; N1759-Q1817 PolarHBondContact O-N 3.21Å; L1761-Q1817 PolarHBondContact O-OE1 3.09Å; L1761-Q1817 VanDerWaalsContact O-OE1 3.14Å; M1766-Q1817 HydrophobicContact CE-CB 4.09Å
1818K76.1Confident71.5Confident167.6 Ų167.677.9 Ų77.973%0.72941%0.413SS*.PPolyproline II helixtrans-80.9129.6173.1-158.2-177.8178.1-1740108.5P1820K1818-P1820 WeakPolarHBondContact O-CD 3.44Å
1819I77.3Confident72.3Confident16.2 Ų16.277.9 Ų77.98%0.08341%0.413CS..PPolyproline II helixtrans-70.2130.1178.5-66.8175.6000110.4F1758 N1759 M1766 L1806 L1823 K1824F1758-I1819 HydrophobicContact CD1-CD1 4.47Å; N1759-I1819 HydrophobicContact CB-CD1 4.36Å; N1759-I1819 HydrophobicContact CB-CG1 4.41Å; M1766-I1819 HydrophobicContact CE-CG1 4.34Å; M1766-I1819 HydrophobicContact SD-CB 4.36Å; M1766-I1819 HydrophobicContact SD-CG1 4.17Å; M1766-I1819 HydrophobicContact SD-CG2 4.23Å; L1806-I1819 HydrophobicContact CD1-CD1 3.24Å; L1806-I1819 HydrophobicContact CD1-CG1 4.49Å; L1806-I1819 HydrophobicContact CD2-CD1 3.39Å; L1806-I1819 VanDerWaalsContact CD2-CD1 3.5Å; L1806-I1819 HydrophobicContact CD2-CG1 4.45Å; L1806-I1819 HydrophobicContact CG-CD1 3.93Å; I1819-L1823 HydrophobicContact CG2-CB 3.81Å; I1819-L1823 HydrophobicContact CG2-CD1 4.38Å; I1819-L1823 HydrophobicContact CG2-CD2 3.74Å; I1819-L1823 HydrophobicContact CG2-CG 4.32Å; I1819-K1824 HydrophobicContact CB-CG 4.39Å; I1819-K1824 HydrophobicContact CG2-CG 4.01Å; I1819-K1824 VanDerWaalsContact O-CE 3.23Å; I1819-K1824 WeakPolarHBondContact O-CE 3.41Å; I1819-K1824 PolarHBondContact O-NZ 2.99Å
1820P77.5Confident73.6Confident23.4 Ų23.475.3 Ų75.315%0.15239%0.39CS..PPolyproline II helixtrans-55.7142.2173.1-27.335.1000112.9E1763 M1766 K1818 N1822 L1823 K1824E1763-P1820 HydrophobicContact CG-CG 4.35Å; M1766-P1820 HydrophobicContact CB-CG 4.47Å; K1818-P1820 WeakPolarHBondContact O-CD 3.44Å; P1820-N1822 VanDerWaalsContact C-N 3.3Å; P1820-N1822 WeakPolarHBondContact CB-OD1 3.25Å; P1820-N1822 PolarHBondContact O-N 3.13Å; P1820-L1823 HydrophobicContact CB-CB 4.48Å; P1820-L1823 HydrophobicContact CB-CD1 4.24Å; P1820-L1823 HydrophobicContact CB-CG 4.2Å; P1820-L1823 HydrophobicContact CG-CD1 4.16Å; P1820-L1823 HydrophobicContact CG-CG 4.25Å; P1820-L1823 WeakPolarHBondContact O-CB 3.41Å; P1820-L1823 PolarHBondContact O-N 3.08Å; P1820-L1823 VanDerWaalsContact O-N 3.1Å; P1820-K1824 PolarHBondContact O-N 3.18Å
1821D77.3Confident74.9Confident105 Ų10575.4 Ų75.456%0.56139%0.388SS*.Hα-helixtrans-66.4-30.2-173.8-68.7-38.3000113.2L1823 K1824 L1825D1821-L1823 VanDerWaalsContact C-N 3.27Å; D1821-L1823 PolarHBondContact O-N 3.11Å; D1821-K1824 WeakPolarHBondContact O-CB 3.36Å; D1821-K1824 PolarHBondContact O-N 3.05Å; D1821-K1824 VanDerWaalsContact O-N 3.14Å; D1821-K1824 WeakPolarHBondContact OD1-CD 3.33Å; D1821-K1824 WeakPolarHBondContact OD1-CE 3.45Å; D1821-K1824 IonicContact OD1-NZ 2.89Å; D1821-K1824 PolarHBondContact OD1-NZ 3.2Å; D1821-L1825 PolarHBondContact O-N 3.06Å
1822N77Confident76.4Confident108.2 Ų108.265.4 Ų65.458%0.57934%0.344SS*.Hα-helixtrans-59.6-36172.320.2-17.4000112.3P1820 L1825P1820-N1822 VanDerWaalsContact C-N 3.3Å; P1820-N1822 WeakPolarHBondContact CB-OD1 3.25Å; P1820-N1822 PolarHBondContact O-N 3.13Å; N1822-L1825 PolarHBondContact O-N 2.94Å
1823L77.9Confident77.7Confident5 Ų563.1 Ų63.13%0.02634%0.337CS..Hα-helixtrans-73.5-37.8178.3-103.4147000111F1758 M1766 A1770 I1773 I1819 P1820 D1821 L1825 L1826 F1827F1758-L1823 HydrophobicContact CD1-CD2 4.08Å; F1758-L1823 HydrophobicContact CE1-CD2 3.26Å; F1758-L1823 HydrophobicContact CZ-CD2 3.9Å; M1766-L1823 HydrophobicContact CB-CD1 4.07Å; M1766-L1823 HydrophobicContact CG-CD1 3.51Å; M1766-L1823 HydrophobicContact SD-CD1 3.69Å; A1770-L1823 HydrophobicContact CB-CB 4.43Å; A1770-L1823 HydrophobicContact CB-CD1 3.74Å; A1770-L1823 VanDerWaalsContact CB-CD1 3.48Å; A1770-L1823 HydrophobicContact CB-CD2 3.12Å; A1770-L1823 HydrophobicContact CB-CG 3.95Å; I1773-L1823 HydrophobicContact CD1-CD1 4.43Å; I1819-L1823 HydrophobicContact CG2-CB 3.81Å; I1819-L1823 HydrophobicContact CG2-CD1 4.38Å; I1819-L1823 HydrophobicContact CG2-CD2 3.74Å; I1819-L1823 HydrophobicContact CG2-CG 4.32Å; P1820-L1823 HydrophobicContact CB-CB 4.48Å; P1820-L1823 HydrophobicContact CB-CD1 4.24Å; P1820-L1823 HydrophobicContact CB-CG 4.2Å; P1820-L1823 HydrophobicContact CG-CD1 4.16Å; P1820-L1823 HydrophobicContact CG-CG 4.25Å; P1820-L1823 WeakPolarHBondContact O-CB 3.41Å; P1820-L1823 PolarHBondContact O-N 3.08Å; P1820-L1823 VanDerWaalsContact O-N 3.1Å; D1821-L1823 VanDerWaalsContact C-N 3.27Å; D1821-L1823 PolarHBondContact O-N 3.11Å; L1823-L1825 PolarHBondContact O-N 3.14Å; L1823-L1825 VanDerWaalsContact O-N 3.16Å; L1823-L1826 HydrophobicContact CD1-CD1 4.12Å; L1823-L1826 HydrophobicContact CD2-CD1 3.99Å; L1823-L1826 VanDerWaalsContact O-CB 3.31Å; L1823-L1826 WeakPolarHBondContact O-CB 3.22Å; L1823-L1826 PolarHBondContact O-N 3.19Å; L1823-F1827 HydrophobicContact CD1-CD2 4.37Å; L1823-F1827 HydrophobicContact CD1-CE2 3.69Å; L1823-F1827 HydrophobicContact CD1-CZ 4.43Å; L1823-F1827 HydrophobicContact CD2-CE2 4.38Å; L1823-F1827 HydrophobicContact CG-CD2 4.28Å; L1823-F1827 HydrophobicContact CG-CE2 3.76Å; L1823-F1827 VanDerWaalsContact O-CD2 3.22Å; L1823-F1827 WeakPolarHBondContact O-CD2 3.41Å; L1823-F1827 WeakPolarHBondContact O-CE2 3.16Å
1824K80.6Confident78.6Confident89.8 Ų89.864.9 Ų64.939%0.3936%0.355SS..Hα-helixtrans-57.6-33177.6-64.9179.3-171.2155.60112.4I1819 P1820 D1821 L1826 F1827I1819-K1824 HydrophobicContact CB-CG 4.39Å; I1819-K1824 HydrophobicContact CG2-CG 4.01Å; I1819-K1824 VanDerWaalsContact O-CE 3.23Å; I1819-K1824 WeakPolarHBondContact O-CE 3.41Å; I1819-K1824 PolarHBondContact O-NZ 2.99Å; P1820-K1824 PolarHBondContact O-N 3.18Å; D1821-K1824 WeakPolarHBondContact O-CB 3.36Å; D1821-K1824 PolarHBondContact O-N 3.05Å; D1821-K1824 VanDerWaalsContact O-N 3.14Å; D1821-K1824 WeakPolarHBondContact OD1-CD 3.33Å; D1821-K1824 WeakPolarHBondContact OD1-CE 3.45Å; D1821-K1824 IonicContact OD1-NZ 2.89Å; D1821-K1824 PolarHBondContact OD1-NZ 3.2Å; K1824-L1826 VanDerWaalsContact C-N 3.27Å; K1824-L1826 PolarHBondContact O-N 3.28Å; K1824-F1827 PolarHBondContact O-N 3.07Å; K1824-F1827 VanDerWaalsContact O-O 3.05Å
1825L83.1Confident79.4Confident137.6 Ų137.663 Ų6372%0.7233%0.334SS*.THydrogen-bonded Turntrans-66.8-21.7177.8-64.7173.3000113.8D1821 N1822 L1823 F1827D1821-L1825 PolarHBondContact O-N 3.06Å; N1822-L1825 PolarHBondContact O-N 2.94Å; L1823-L1825 PolarHBondContact O-N 3.14Å; L1823-L1825 VanDerWaalsContact O-N 3.16Å; L1825-F1827 VanDerWaalsContact C-N 3.29Å
1826L83.4Confident80.4Confident14.8 Ų14.864.6 Ų64.68%0.07733%0.334CS..THydrogen-bonded Turntrans-76.4-20.5177.5-56-177.8000112.5C1699 A1770 I1773 K1774 L1823 K1824C1699-L1826 PolarHBondContact N-O 3.45Å; A1770-L1826 HydrophobicContact CB-CD1 4.11Å; A1770-L1826 VanDerWaalsContact O-CD1 3.32Å; A1770-L1826 WeakPolarHBondContact O-CD1 3.41Å; I1773-L1826 HydrophobicContact CB-CD1 4.31Å; I1773-L1826 HydrophobicContact CG2-CB 4.46Å; I1773-L1826 HydrophobicContact CG2-CD1 4.26Å; K1774-L1826 HydrophobicContact CB-CD1 4.34Å; K1774-L1826 HydrophobicContact CB-CD2 4.08Å; K1774-L1826 HydrophobicContact CD-CD2 3.76Å; K1774-L1826 HydrophobicContact CG-CD2 4.18Å; L1823-L1826 HydrophobicContact CD1-CD1 4.12Å; L1823-L1826 HydrophobicContact CD2-CD1 3.99Å; L1823-L1826 VanDerWaalsContact O-CB 3.31Å; L1823-L1826 WeakPolarHBondContact O-CB 3.22Å; L1823-L1826 PolarHBondContact O-N 3.19Å; K1824-L1826 VanDerWaalsContact C-N 3.27Å; K1824-L1826 PolarHBondContact O-N 3.28Å
1827F86.9Confident81Confident8.8 Ų8.864.7 Ų64.74%0.03934%0.337CS..EExtended strand (participates in β ladder)trans-116142.5-173.4-57.3-82.9000112.1C1699 N1701 I1773 I1802 I1804 L1823 K1824 L1825 P1829C1699-F1827 HydrophobicContact CB-CD1 3.26Å; C1699-F1827 HydrophobicContact CB-CE1 3.43Å; C1699-F1827 HydrophobicContact CB-CG 4.27Å; C1699-F1827 HydrophobicContact CB-CZ 4.33Å; C1699-F1827 CarbonylContact O-C 3.41Å; C1699-F1827 VanDerWaalsContact O-CA 3.27Å; C1699-F1827 WeakPolarHBondContact O-CA 3.39Å; N1701-F1827 HydrophobicContact CB-CB 3.62Å; N1701-F1827 HydrophobicContact CB-CD1 4.41Å; N1701-F1827 HydrophobicContact CB-CG 4.21Å; I1773-F1827 HydrophobicContact CD1-CE1 4.21Å; I1773-F1827 HydrophobicContact CD1-CE2 4.49Å; I1773-F1827 HydrophobicContact CD1-CZ 3.76Å; I1773-F1827 HydrophobicContact CG2-CE1 4.35Å; I1773-F1827 HydrophobicContact CG2-CZ 4.3Å; I1802-F1827 HydrophobicContact CG2-CE1 4.45Å; I1804-F1827 HydrophobicContact CB-CE1 4.3Å; I1804-F1827 HydrophobicContact CB-CZ 4.39Å; I1804-F1827 HydrophobicContact CD1-CB 4.43Å; I1804-F1827 HydrophobicContact CD1-CD1 3.83Å; I1804-F1827 HydrophobicContact CD1-CD2 3.51Å; I1804-F1827 VanDerWaalsContact CD1-CD2 3.46Å; I1804-F1827 HydrophobicContact CD1-CE1 3.85Å; I1804-F1827 HydrophobicContact CD1-CE2 3.53Å; I1804-F1827 VanDerWaalsContact CD1-CE2 3.49Å; I1804-F1827 HydrophobicContact CD1-CG 3.68Å; I1804-F1827 HydrophobicContact CD1-CZ 3.71Å; I1804-F1827 HydrophobicContact CG1-CD1 3.7Å; I1804-F1827 HydrophobicContact CG1-CD2 4.31Å; I1804-F1827 HydrophobicContact CG1-CE1 3.76Å; I1804-F1827 HydrophobicContact CG1-CE2 4.36Å; I1804-F1827 HydrophobicContact CG1-CG 4.01Å; I1804-F1827 HydrophobicContact CG1-CZ 4.09Å; I1804-F1827 HydrophobicContact CG2-CD1 4.39Å; I1804-F1827 HydrophobicContact CG2-CE1 3.63Å; I1804-F1827 HydrophobicContact CG2-CE2 4.31Å; I1804-F1827 HydrophobicContact CG2-CZ 3.73Å; I1804-F1827 VanDerWaalsContact CG2-CZ 3.49Å; L1823-F1827 HydrophobicContact CD1-CD2 4.37Å; L1823-F1827 HydrophobicContact CD1-CE2 3.69Å; L1823-F1827 HydrophobicContact CD1-CZ 4.43Å; L1823-F1827 HydrophobicContact CD2-CE2 4.38Å; L1823-F1827 HydrophobicContact CG-CD2 4.28Å; L1823-F1827 HydrophobicContact CG-CE2 3.76Å; L1823-F1827 VanDerWaalsContact O-CD2 3.22Å; L1823-F1827 WeakPolarHBondContact O-CD2 3.41Å; L1823-F1827 WeakPolarHBondContact O-CE2 3.16Å; K1824-F1827 PolarHBondContact O-N 3.07Å; K1824-F1827 VanDerWaalsContact O-O 3.05Å; L1825-F1827 VanDerWaalsContact C-N 3.29Å; F1827-P1829 VanDerWaalsContact O-CD 3.29Å; F1827-P1829 WeakPolarHBondContact O-CD 3.35Å
1828R89.2Confident81.7Confident147.6 Ų147.665.5 Ų65.556%0.55734%0.341SS*.EExtended strand (participates in β ladder)trans-83.4110166.3-174.765.8176.2-174.4-1.5109.1T1689 A1693 C1699 N1701T1689-R1828 HydrophobicContact CG2-CG 3.85Å; A1693-R1828 HydrophobicContact CB-CB 3.93Å; A1693-R1828 HydrophobicContact CB-CG 4.3Å; C1699-R1828 PolarHBondContact O-N 3.1Å; N1701-R1828 PolarHBondContact N-O 3.18Å
1829P88.2Confident82.2Confident73.2 Ų73.260.3 Ų60.348%0.47532%0.32SS..EExtended strand (participates in β ladder)trans-74.1140.2-179.331.5-35.8000111.3N1701 Y1703 F1827N1701-P1829 CarbonylContact O-C 3.57Å; N1701-P1829 VanDerWaalsContact O-CA 3.31Å; N1701-P1829 WeakPolarHBondContact O-CA 3.3Å; Y1703-P1829 HydrophobicContact CD1-CB 4.13Å; Y1703-P1829 HydrophobicContact CE1-CB 3.8Å; F1827-P1829 VanDerWaalsContact O-CD 3.29Å; F1827-P1829 WeakPolarHBondContact O-CD 3.35Å
1830V88.5Confident82.6Confident10 Ų1060.5 Ų60.56%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-129.6115.9175-178.30000108.6C1686 T1689 F1690 N1701 P1702 Y1703 M1832C1686-V1830 HydrophobicContact CB-CG1 4.38Å; C1686-V1830 VanDerWaalsContact SG-CG1 3.59Å; T1689-V1830 HydrophobicContact CG2-CG2 3.51Å; T1689-V1830 VanDerWaalsContact CG2-CG2 3.48Å; F1690-V1830 HydrophobicContact CD1-CG2 4.14Å; F1690-V1830 HydrophobicContact CE1-CB 4.12Å; F1690-V1830 HydrophobicContact CE1-CG1 4.29Å; F1690-V1830 HydrophobicContact CE1-CG2 3.66Å; F1690-V1830 HydrophobicContact CZ-CB 4.49Å; F1690-V1830 HydrophobicContact CZ-CG1 4.43Å; F1690-V1830 HydrophobicContact CZ-CG2 4.49Å; N1701-V1830 PolarHBondContact O-N 3.14Å; P1702-V1830 WeakPolarHBondContact CA-O 3.43Å; Y1703-V1830 VanDerWaalsContact CD1-O 3.26Å; Y1703-V1830 WeakPolarHBondContact CD1-O 3.35Å; Y1703-V1830 PolarHBondContact N-O 2.8Å; V1830-M1832 HydrophobicContact CG1-SD 4.29Å; V1830-M1832 PolarHBondContact O-N 3.03Å
1831A86.1Confident83.1Confident41 Ų4159.4 Ų59.434%0.33931%0.314SS..EExtended strand (participates in β ladder)trans-78.6114.4178.400000110.3Y1703 L1833Y1703-A1831 HydrophobicContact CE1-CB 4.03Å; Y1703-A1831 HydrophobicContact CE2-CB 4.31Å; A1831-L1833 PolarHBondContact O-N 3.05Å; A1831-L1833 VanDerWaalsContact O-N 3.17Å
1832M83Confident83.7Confident3.4 Ų3.456.6 Ų56.62%0.01730%0.298CS..  trans-97.784.8174.9-63.4-105.9-25.800108.9L1682 C1686 P1702 Y1703 G1704 P1705 T1708 K1710 T1713 V1830L1682-M1832 HydrophobicContact CD2-CB 4.31Å; L1682-M1832 HydrophobicContact CD2-CE 4.05Å; L1682-M1832 HydrophobicContact CD2-CG 4.48Å; L1682-M1832 HydrophobicContact CG-CE 4.35Å; C1686-M1832 HydrophobicContact CB-SD 4.31Å; C1686-M1832 PolarHBondContact SG-SD 3.48Å; P1702-M1832 HydrophobicContact CB-CG 3.88Å; P1702-M1832 HydrophobicContact CB-SD 4.2Å; Y1703-M1832 PolarHBondContact O-N 3.09Å; G1704-M1832 WeakPolarHBondContact CA-O 3.48Å; P1705-M1832 WeakPolarHBondContact CD-O 3.35Å; T1708-M1832 WeakPolarHBondContact CG2-O 3.43Å; T1708-M1832 WeakPolarHBondContact O-CE 3.37Å; T1708-M1832 PolarHBondContact OG1-O 3.36Å; K1710-M1832 HydrophobicContact CB-SD 4.24Å; K1710-M1832 HydrophobicContact CG-CB 4.31Å; K1710-M1832 HydrophobicContact CG-CG 4Å; K1710-M1832 HydrophobicContact CG-SD 3.81Å; T1713-M1832 HydrophobicContact CG2-CE 4.39Å; T1713-M1832 WeakPolarHBondContact OG1-CE 3.3Å; V1830-M1832 HydrophobicContact CG1-SD 4.29Å; V1830-M1832 PolarHBondContact O-N 3.03Å
1833L80.3Confident84.2Confident116 Ų11652.2 Ų52.261%0.60727%0.274SS*.PPolyproline II helixtrans-72-149.3179.1-63.4176.3000111.8L1682 P1705 A1831 A1835L1682-L1833 HydrophobicContact CD2-CB 4.22Å; L1682-L1833 VanDerWaalsContact CD2-O 3.25Å; L1682-L1833 WeakPolarHBondContact CD2-O 3.24Å; P1705-L1833 VanDerWaalsContact CG-O 3.22Å; P1705-L1833 WeakPolarHBondContact CG-O 3.47Å; A1831-L1833 PolarHBondContact O-N 3.05Å; A1831-L1833 VanDerWaalsContact O-N 3.17Å; L1833-A1835 PolarHBondContact O-N 3.24Å
1834T75.6Confident84.7Confident106.8 Ų106.853.5 Ų53.566%0.65528%0.281SS*.PPolyproline II helixtrans-91.2130.3174.348.90000109.1
1835A74.2Confident85Confident20.6 Ų20.649.3 Ų49.317%0.1726%0.262CS..PPolyproline II helixtrans-75.9163.3173.800000110.7L1682 L1833 D1837 I1840 L1897L1682-A1835 HydrophobicContact CD2-CB 4.49Å; L1833-A1835 PolarHBondContact O-N 3.24Å; A1835-D1837 VanDerWaalsContact C-N 3.3Å; A1835-D1837 PolarHBondContact O-N 3.19Å; A1835-D1837 VanDerWaalsContact O-N 3.11Å; A1835-I1840 HydrophobicContact CB-CD1 3.75Å; A1835-L1897 HydrophobicContact CB-CD1 3.33Å; A1835-L1897 HydrophobicContact CB-CD2 4.39Å; A1835-L1897 HydrophobicContact CB-CG 4.18Å
1836D81.8Confident85.2Confident68.4 Ų68.444.2 Ų44.237%0.36624%0.236SC..  trans-78.292.7173.7-126.5-37.7000109.6T1680 E1838 I1839 I1840T1680-D1836 WeakPolarHBondContact CB-OD2 3.5Å; T1680-D1836 HydrophobicContact CG2-CB 4.28Å; T1680-D1836 PolarHBondContact OG1-OD2 3.14Å; D1836-E1838 PolarHBondContact O-N 3.21Å; D1836-E1838 VanDerWaalsContact O-N 3.13Å; D1836-E1838 WeakPolarHBondContact OD1-CB 3.41Å; D1836-E1838 PolarHBondContact OD1-N 3.16Å; D1836-I1839 HydrophobicContact CB-CB 4.35Å; D1836-I1839 HydrophobicContact CB-CD1 4Å; D1836-I1839 HydrophobicContact CB-CG1 4.21Å; D1836-I1839 PolarHBondContact O-N 3.01Å; D1836-I1840 VanDerWaalsContact O-CG1 3.31Å; D1836-I1840 WeakPolarHBondContact O-CG1 3.38Å; D1836-I1840 PolarHBondContact O-N 3.11Å; D1836-I1840 VanDerWaalsContact O-N 3.12Å
1837D84.2Confident85.2Confident35 Ų3544.2 Ų44.219%0.18724%0.238CC..Hα-helixtrans-57.2-30.8-177-64.5-25.5000112.2A1835 I1840 A1841 V1861 R1868 L1897 L1900A1835-D1837 VanDerWaalsContact C-N 3.3Å; A1835-D1837 PolarHBondContact O-N 3.19Å; A1835-D1837 VanDerWaalsContact O-N 3.11Å; D1837-I1840 PolarHBondContact O-N 3.35Å; D1837-A1841 WeakPolarHBondContact O-CB 3.37Å; D1837-A1841 PolarHBondContact O-N 3.14Å; D1837-V1861 HydrophobicContact CB-CG1 3.94Å; D1837-V1861 HydrophobicContact CB-CG2 4.1Å; D1837-V1861 WeakPolarHBondContact O-CG2 3.35Å; D1837-R1868 IonicContact OD2-NH1 3.38Å; D1837-R1868 IonicContact OD2-NH2 2.94Å; D1837-L1897 HydrophobicContact CB-CD2 4.45Å; D1837-L1897 WeakPolarHBondContact OD1-CD1 3.35Å; D1837-L1897 WeakPolarHBondContact OD1-CD2 3.3Å; D1837-L1897 WeakPolarHBondContact OD1-CG 3.31Å; D1837-L1900 HydrophobicContact CB-CD2 4.31Å
1838E86.8Confident85.1Confident78 Ų7844.8 Ų44.836%0.36424%0.241SC..Hα-helixtrans-68.7-50.2-178.7-102.5176.3-171.300111.7D1836 I1840 A1841 E1842 V1861 K1865D1836-E1838 PolarHBondContact O-N 3.21Å; D1836-E1838 VanDerWaalsContact O-N 3.13Å; D1836-E1838 WeakPolarHBondContact OD1-CB 3.41Å; D1836-E1838 PolarHBondContact OD1-N 3.16Å; E1838-I1840 VanDerWaalsContact C-N 3.26Å; E1838-I1840 PolarHBondContact O-N 3.14Å; E1838-A1841 PolarHBondContact O-N 3.3Å; E1838-A1841 VanDerWaalsContact O-N 3.16Å; E1838-E1842 WeakPolarHBondContact O-CB 3.27Å; E1838-E1842 VanDerWaalsContact O-CG 3.28Å; E1838-E1842 WeakPolarHBondContact O-CG 3.42Å; E1838-E1842 PolarHBondContact O-N 3.29Å; E1838-V1861 HydrophobicContact CB-CG1 4.45Å; E1838-V1861 HydrophobicContact CG-CB 3.77Å; E1838-V1861 HydrophobicContact CG-CG1 3.54Å; E1838-V1861 VanDerWaalsContact CG-CG1 3.48Å; E1838-V1861 HydrophobicContact CG-CG2 4.19Å; E1838-K1865 IonicContact OE1-NZ 2.98Å; E1838-K1865 PolarHBondContact OE1-NZ 3.25Å
1839I86.8Confident84.7Confident56.6 Ų56.638.7 Ų38.729%0.2922%0.224SC..Hα-helixtrans-61.3-38.6176.3-60.3176.3000110.2V1678 T1680 P1681 D1836 N1843V1678-I1839 HydrophobicContact CG1-CG2 4.5Å; T1680-I1839 HydrophobicContact CG2-CG2 4.44Å; P1681-I1839 HydrophobicContact CG-CD1 4.34Å; D1836-I1839 HydrophobicContact CB-CB 4.35Å; D1836-I1839 HydrophobicContact CB-CD1 4Å; D1836-I1839 HydrophobicContact CB-CG1 4.21Å; D1836-I1839 PolarHBondContact O-N 3.01Å; I1839-N1843 WeakPolarHBondContact CG2-ND2 3.47Å; I1839-N1843 VanDerWaalsContact O-CB 3.29Å; I1839-N1843 WeakPolarHBondContact O-CB 3.38Å; I1839-N1843 PolarHBondContact O-N 3.19Å; I1839-N1843 VanDerWaalsContact O-N 3.09Å; I1839-N1843 PolarHBondContact O-ND2 3.11Å
1840I86.5Confident84.5Confident21.6 Ų21.635.3 Ų35.311%0.11120%0.202CC..Hα-helixtrans-65.9-47.3177.7-65.4167.8000110.7V1678 T1680 A1835 D1836 D1837 E1838 E1842 N1843 L1844 L1897 L1900V1678-I1840 HydrophobicContact CB-CG1 4.38Å; V1678-I1840 HydrophobicContact CG1-CG1 4.48Å; V1678-I1840 HydrophobicContact CG2-CG2 4.37Å; T1680-I1840 HydrophobicContact CG2-CD1 4.22Å; T1680-I1840 HydrophobicContact CG2-CG1 3.8Å; A1835-I1840 HydrophobicContact CB-CD1 3.75Å; D1836-I1840 VanDerWaalsContact O-CG1 3.31Å; D1836-I1840 WeakPolarHBondContact O-CG1 3.38Å; D1836-I1840 PolarHBondContact O-N 3.11Å; D1836-I1840 VanDerWaalsContact O-N 3.12Å; D1837-I1840 PolarHBondContact O-N 3.35Å; E1838-I1840 VanDerWaalsContact C-N 3.26Å; E1838-I1840 PolarHBondContact O-N 3.14Å; I1840-E1842 PolarHBondContact O-N 2.98Å; I1840-N1843 PolarHBondContact O-N 3.04Å; I1840-L1844 HydrophobicContact CG2-CD1 3.75Å; I1840-L1844 HydrophobicContact CG2-CG 4.29Å; I1840-L1844 WeakPolarHBondContact O-CB 3.4Å; I1840-L1844 VanDerWaalsContact O-CG 3.23Å; I1840-L1844 WeakPolarHBondContact O-CG 3.33Å; I1840-L1844 PolarHBondContact O-N 3.04Å; I1840-L1897 HydrophobicContact CB-CD1 4.37Å; I1840-L1897 HydrophobicContact CB-CD2 4.35Å; I1840-L1897 HydrophobicContact CD1-CD1 4.1Å; I1840-L1897 HydrophobicContact CD1-CD2 3.91Å; I1840-L1897 HydrophobicContact CG2-CD1 4.05Å; I1840-L1897 HydrophobicContact CG2-CD2 4.19Å; I1840-L1900 HydrophobicContact CG2-CD2 4.44Å
1841A88.3Confident84.1Confident0 Ų039.2 Ų39.20%023%0.226CC..Hα-helixtrans-61-46.8178.400000111.9D1837 E1838 N1843 L1844 L1845 L1860 V1861 L1900D1837-A1841 WeakPolarHBondContact O-CB 3.37Å; D1837-A1841 PolarHBondContact O-N 3.14Å; E1838-A1841 PolarHBondContact O-N 3.3Å; E1838-A1841 VanDerWaalsContact O-N 3.16Å; A1841-N1843 PolarHBondContact O-N 2.94Å; A1841-L1844 PolarHBondContact O-N 3.14Å; A1841-L1845 WeakPolarHBondContact O-CB 3.4Å; A1841-L1845 VanDerWaalsContact O-CG 3.28Å; A1841-L1845 WeakPolarHBondContact O-CG 3.39Å; A1841-L1845 PolarHBondContact O-N 3.17Å; A1841-L1860 HydrophobicContact CB-CD2 4.44Å; A1841-V1861 HydrophobicContact CB-CG2 3.79Å; A1841-L1900 HydrophobicContact CB-CD1 4.28Å; A1841-L1900 HydrophobicContact CB-CD2 4.19Å
1842E88.7Confident84Confident47.2 Ų47.240.7 Ų40.722%0.22123%0.226CC..Hα-helixtrans-57.5-50.7178.3-167178.8175.800111.3E1838 I1840 L1844 L1845 L1846 S1853 K1854E1838-E1842 WeakPolarHBondContact O-CB 3.27Å; E1838-E1842 VanDerWaalsContact O-CG 3.28Å; E1838-E1842 WeakPolarHBondContact O-CG 3.42Å; E1838-E1842 PolarHBondContact O-N 3.29Å; I1840-E1842 PolarHBondContact O-N 2.98Å; E1842-L1844 PolarHBondContact O-N 3.09Å; E1842-L1845 PolarHBondContact O-N 3.02Å; E1842-L1846 HydrophobicContact CG-CD1 4.06Å; E1842-L1846 VanDerWaalsContact O-CB 3.3Å; E1842-L1846 WeakPolarHBondContact O-CB 3.34Å; E1842-L1846 WeakPolarHBondContact O-CG 3.39Å; E1842-L1846 PolarHBondContact O-N 3.29Å; E1842-S1853 WeakPolarHBondContact O-CB 3.37Å; E1842-K1854 HydrophobicContact CG-CB 4.36Å; E1842-K1854 HydrophobicContact CG-CG 3.94Å; E1842-K1854 WeakPolarHBondContact OE1-CB 3.47Å; E1842-K1854 WeakPolarHBondContact OE1-CE 3.28Å; E1842-K1854 WeakPolarHBondContact OE1-CG 3.2Å
1843N88.4Confident84.1Confident15 Ų1540.9 Ų40.98%0.0823%0.227CC..Hα-helixtrans-69.2-35.4-176.2-69.7-14.3000112.5L1616 V1619 V1678 I1839 I1840 A1841 A1847L1616-N1843 HydrophobicContact CD2-CB 4.06Å; V1619-N1843 VanDerWaalsContact CG1-OD1 3.31Å; V1619-N1843 WeakPolarHBondContact CG1-OD1 3.28Å; V1678-N1843 HydrophobicContact CG1-CB 3.64Å; V1678-N1843 VanDerWaalsContact CG1-ND2 3.27Å; V1678-N1843 WeakPolarHBondContact CG1-ND2 3.44Å; V1678-N1843 HydrophobicContact CG2-CB 4.21Å; I1839-N1843 WeakPolarHBondContact CG2-ND2 3.47Å; I1839-N1843 VanDerWaalsContact O-CB 3.29Å; I1839-N1843 WeakPolarHBondContact O-CB 3.38Å; I1839-N1843 PolarHBondContact O-N 3.19Å; I1839-N1843 VanDerWaalsContact O-N 3.09Å; I1839-N1843 PolarHBondContact O-ND2 3.11Å; I1840-N1843 PolarHBondContact O-N 3.04Å; A1841-N1843 PolarHBondContact O-N 2.94Å; N1843-A1847 WeakPolarHBondContact O-CB 3.34Å; N1843-A1847 PolarHBondContact O-N 3.04Å; N1843-A1847 VanDerWaalsContact O-N 3.08Å
1844L87.4Confident84.3Confident32.6 Ų32.642.2 Ų42.217%0.17123%0.228CC..Hα-helixtrans-67.6-44.8174.2-71.7175.8000111.5V1678 I1840 A1841 E1842 L1846 A1847 E1848 K1901 T1904V1678-L1844 HydrophobicContact CG2-CD2 3.92Å; V1678-L1844 HydrophobicContact CG2-CG 4.04Å; I1840-L1844 HydrophobicContact CG2-CD1 3.75Å; I1840-L1844 HydrophobicContact CG2-CG 4.29Å; I1840-L1844 WeakPolarHBondContact O-CB 3.4Å; I1840-L1844 VanDerWaalsContact O-CG 3.23Å; I1840-L1844 WeakPolarHBondContact O-CG 3.33Å; I1840-L1844 PolarHBondContact O-N 3.04Å; A1841-L1844 PolarHBondContact O-N 3.14Å; E1842-L1844 PolarHBondContact O-N 3.09Å; L1844-L1846 VanDerWaalsContact C-N 3.33Å; L1844-L1846 PolarHBondContact O-N 3.26Å; L1844-A1847 PolarHBondContact O-N 3.25Å; L1844-E1848 WeakPolarHBondContact O-CG 3.33Å; L1844-E1848 PolarHBondContact O-N 3.05Å; L1844-E1848 VanDerWaalsContact O-N 3.11Å; L1844-K1901 HydrophobicContact CD1-CB 4.45Å; L1844-T1904 HydrophobicContact CB-CG2 4.27Å
1845L87.8Confident84.8Confident0.4 Ų0.440.3 Ų40.30%0.00222%0.216CC..Hα-helixtrans-63.1-42.6176.8-72.9171.1000111.6A1841 E1842 A1847 E1848 G1849 F1850 I1856 T1904 V1932A1841-L1845 WeakPolarHBondContact O-CB 3.4Å; A1841-L1845 VanDerWaalsContact O-CG 3.28Å; A1841-L1845 WeakPolarHBondContact O-CG 3.39Å; A1841-L1845 PolarHBondContact O-N 3.17Å; E1842-L1845 PolarHBondContact O-N 3.02Å; L1845-A1847 VanDerWaalsContact C-N 3.32Å; L1845-A1847 PolarHBondContact O-N 3.43Å; L1845-E1848 CarbonylContact O-C 3.56Å; L1845-E1848 PolarHBondContact O-N 3.17Å; L1845-E1848 VanDerWaalsContact O-N 3.14Å; L1845-G1849 PolarHBondContact O-N 3.2Å; L1845-F1850 HydrophobicContact CB-CB 4.13Å; L1845-F1850 HydrophobicContact CB-CD2 4.33Å; L1845-F1850 HydrophobicContact CB-CG 4.3Å; L1845-F1850 HydrophobicContact CD2-CD1 4.36Å; L1845-F1850 HydrophobicContact CD2-CD2 3.88Å; L1845-F1850 HydrophobicContact CD2-CE1 4.44Å; L1845-F1850 HydrophobicContact CD2-CE2 3.99Å; L1845-F1850 HydrophobicContact CD2-CG 4.12Å; L1845-F1850 HydrophobicContact CD2-CZ 4.34Å; L1845-F1850 WeakPolarHBondContact O-CB 3.27Å; L1845-F1850 WeakPolarHBondContact O-CD2 3.42Å; L1845-F1850 PolarHBondContact O-N 3.18Å; L1845-F1850 VanDerWaalsContact O-N 3.09Å; L1845-I1856 HydrophobicContact CD1-CB 4.25Å; L1845-I1856 HydrophobicContact CD1-CG2 3.85Å; L1845-T1904 HydrophobicContact CD2-CG2 4.03Å; L1845-T1904 HydrophobicContact CG-CG2 4.09Å; L1845-V1932 HydrophobicContact CD2-CG2 4.41Å
1846L86.3Confident85.4Confident31 Ų3139.4 Ų39.416%0.16221%0.209CC..Hα-helixtrans-59.4-42.9174.6-139.1101.3000111.7I1594 T1615 V1619 E1842 L1844 E1848 G1849 S1853I1594-L1846 HydrophobicContact CG2-CD2 4.04Å; I1594-L1846 HydrophobicContact CG2-CG 4.48Å; T1615-L1846 HydrophobicContact CG2-CG 4.44Å; V1619-L1846 HydrophobicContact CG2-CD1 4.19Å; V1619-L1846 HydrophobicContact CG2-CD2 3.6Å; V1619-L1846 VanDerWaalsContact CG2-CD2 3.49Å; E1842-L1846 HydrophobicContact CG-CD1 4.06Å; E1842-L1846 VanDerWaalsContact O-CB 3.3Å; E1842-L1846 WeakPolarHBondContact O-CB 3.34Å; E1842-L1846 WeakPolarHBondContact O-CG 3.39Å; E1842-L1846 PolarHBondContact O-N 3.29Å; L1844-L1846 VanDerWaalsContact C-N 3.33Å; L1844-L1846 PolarHBondContact O-N 3.26Å; L1846-E1848 VanDerWaalsContact C-N 3.28Å; L1846-E1848 PolarHBondContact O-N 3.22Å; L1846-G1849 PolarHBondContact O-N 2.95Å; L1846-G1849 VanDerWaalsContact O-N 3.1Å; L1846-S1853 VanDerWaalsContact CD2-OG 3.28Å; L1846-S1853 WeakPolarHBondContact CD2-OG 3.41Å; L1846-S1853 VanDerWaalsContact CG-OG 3.3Å; L1846-S1853 WeakPolarHBondContact CG-OG 3.42Å
1847A85Confident85.7Confident14 Ų1436.2 Ų36.212%0.11619%0.191CC..Hα-helixtrans-66.5-26.417700000113.1K1612 L1616 N1843 L1844 L1845 G1849K1612-A1847 HydrophobicContact CG-CB 4.41Å; K1612-A1847 WeakPolarHBondContact CG-O 3.27Å; L1616-A1847 HydrophobicContact CD2-CB 4.12Å; L1616-A1847 HydrophobicContact CG-CB 4.18Å; N1843-A1847 WeakPolarHBondContact O-CB 3.34Å; N1843-A1847 PolarHBondContact O-N 3.04Å; N1843-A1847 VanDerWaalsContact O-N 3.08Å; L1844-A1847 PolarHBondContact O-N 3.25Å; L1845-A1847 VanDerWaalsContact C-N 3.32Å; L1845-A1847 PolarHBondContact O-N 3.43Å; A1847-G1849 VanDerWaalsContact C-N 3.28Å
1848E84Confident85.8Confident21.6 Ų21.636.3 Ų36.310%0.10120%0.197CC..THydrogen-bonded Turntrans-81.2-6.5172.6-65.7-61.2157.900113.7K1612 L1844 L1845 L1846 F1850 G1908 R1912K1612-E1848 WeakPolarHBondContact CE-OE1 3.41Å; K1612-E1848 VanDerWaalsContact CE-OE2 3.31Å; K1612-E1848 WeakPolarHBondContact CE-OE2 3.33Å; K1612-E1848 IonicContact NZ-OE1 3.31Å; K1612-E1848 PolarHBondContact NZ-OE1 3.14Å; K1612-E1848 IonicContact NZ-OE2 3.41Å; K1612-E1848 PolarHBondContact NZ-OE2 3.14Å; L1844-E1848 WeakPolarHBondContact O-CG 3.33Å; L1844-E1848 PolarHBondContact O-N 3.05Å; L1844-E1848 VanDerWaalsContact O-N 3.11Å; L1845-E1848 CarbonylContact O-C 3.56Å; L1845-E1848 PolarHBondContact O-N 3.17Å; L1845-E1848 VanDerWaalsContact O-N 3.14Å; L1846-E1848 VanDerWaalsContact C-N 3.28Å; L1846-E1848 PolarHBondContact O-N 3.22Å; E1848-F1850 HydrophobicContact CB-CD2 3.97Å; E1848-F1850 HydrophobicContact CB-CE2 4.08Å; E1848-G1908 WeakPolarHBondContact OE2-CA 3.36Å; E1848-R1912 IonicContact OE2-CZ 3.11Å; E1848-R1912 IonicContact OE2-NH2 2.96Å; E1848-R1912 PolarHBondContact OE2-NH2 2.86Å
1849G80.1Confident85.8Confident20 Ų2035.9 Ų35.921%0.20619%0.194CC..THydrogen-bonded Turntrans98.413.8176.500000115L1845 L1846 A1847 H1911L1845-G1849 PolarHBondContact O-N 3.2Å; L1846-G1849 PolarHBondContact O-N 2.95Å; L1846-G1849 VanDerWaalsContact O-N 3.1Å; A1847-G1849 VanDerWaalsContact C-N 3.28Å; G1849-H1911 PolarHBondContact O-CE1 3.47Å
1850F83.9Confident85.7Confident2.4 Ų2.433.2 Ų33.21%0.01118%0.18CC..  trans-72.8133.2174.8-73.7-102.6000111L1845 E1848 I1856 A1907 H1911 E1928 I1931 V1932L1845-F1850 HydrophobicContact CB-CB 4.13Å; L1845-F1850 HydrophobicContact CB-CD2 4.33Å; L1845-F1850 HydrophobicContact CB-CG 4.3Å; L1845-F1850 HydrophobicContact CD2-CD1 4.36Å; L1845-F1850 HydrophobicContact CD2-CD2 3.88Å; L1845-F1850 HydrophobicContact CD2-CE1 4.44Å; L1845-F1850 HydrophobicContact CD2-CE2 3.99Å; L1845-F1850 HydrophobicContact CD2-CG 4.12Å; L1845-F1850 HydrophobicContact CD2-CZ 4.34Å; L1845-F1850 WeakPolarHBondContact O-CB 3.27Å; L1845-F1850 WeakPolarHBondContact O-CD2 3.42Å; L1845-F1850 PolarHBondContact O-N 3.18Å; L1845-F1850 VanDerWaalsContact O-N 3.09Å; E1848-F1850 HydrophobicContact CB-CD2 3.97Å; E1848-F1850 HydrophobicContact CB-CE2 4.08Å; F1850-I1856 HydrophobicContact CD1-CD1 4.34Å; F1850-A1907 HydrophobicContact CE2-CB 4.29Å; F1850-A1907 HydrophobicContact CZ-CB 3.9Å; F1850-H1911 HydrophobicContact CE2-CB 4.25Å; F1850-H1911 HydrophobicContact CZ-CB 4.11Å; F1850-E1928 HydrophobicContact CD1-CB 3.78Å; F1850-E1928 HydrophobicContact CD1-CG 3.71Å; F1850-E1928 HydrophobicContact CE1-CB 3.93Å; F1850-E1928 HydrophobicContact CE1-CG 4.08Å; F1850-I1931 HydrophobicContact CZ-CG2 4.17Å; F1850-V1932 HydrophobicContact CE1-CG2 3.94Å; F1850-V1932 HydrophobicContact CZ-CG2 4.25Å
1851T80.8Confident85.7Confident92.6 Ų92.632.3 Ų32.357%0.56818%0.176SC*.SBendtrans-84.3-35.5-179.255.60000112.5S1853 V1924 E1928T1851-S1853 VanDerWaalsContact C-N 3.32Å; T1851-S1853 PolarHBondContact O-N 3.17Å; T1851-V1924 WeakPolarHBondContact OG1-CG1 3.45Å; T1851-E1928 WeakPolarHBondContact CB-OE1 3.38Å; T1851-E1928 PolarHBondContact N-OE1 3.17Å; T1851-E1928 PolarHBondContact N-OE2 3.18Å; T1851-E1928 PolarHBondContact OG1-OE1 3.19Å; T1851-E1928 PolarHBondContact OG1-OE2 3.26Å
1852H83.6Confident85.5Confident71.6 Ų71.635.3 Ų35.333%0.33120%0.196SC..SBendtrans-100.637-180-60.675.3000111.9K1854 V1855 I1856 E1925 E1928H1852-K1854 VanDerWaalsContact C-N 3.28Å; H1852-K1854 PolarHBondContact O-N 3.17Å; H1852-K1854 VanDerWaalsContact O-N 3.17Å; H1852-V1855 PolarHBondContact O-N 3.02Å; H1852-I1856 HydrophobicContact CB-CD1 4.16Å; H1852-I1856 HydrophobicContact CB-CG1 4.41Å; H1852-I1856 WeakPolarHBondContact O-CG1 3.37Å; H1852-I1856 PolarHBondContact O-N 3Å; H1852-I1856 VanDerWaalsContact O-N 3.14Å; H1852-E1925 HydrophobicContact CB-CG 4.3Å; H1852-E1925 IonicContact CD2-OE1 3.46Å; H1852-E1925 PolarHBondContact CD2-OE1 3.35Å; H1852-E1925 IonicContact CG-OE1 3.82Å; H1852-E1925 IonicContact NE2-OE1 2.82Å; H1852-E1925 PolarHBondContact NE2-OE1 2.87Å; H1852-E1928 WeakPolarHBondContact CB-OE2 3.42Å; H1852-E1928 IonicContact CG-OE2 3.62Å; H1852-E1928 PolarHBondContact N-OE2 3.16Å; H1852-E1928 VanDerWaalsContact N-OE2 3.11Å; H1852-E1928 IonicContact ND1-OE2 3.54Å
1853S84.7Confident85.3Confident7 Ų733.2 Ų33.25%0.04919%0.186CC..Hα-helixtrans-54.9-37.1-17461.50000114.2E1842 L1846 T1851 G1857E1842-S1853 WeakPolarHBondContact O-CB 3.37Å; L1846-S1853 VanDerWaalsContact CD2-OG 3.28Å; L1846-S1853 WeakPolarHBondContact CD2-OG 3.41Å; L1846-S1853 VanDerWaalsContact CG-OG 3.3Å; L1846-S1853 WeakPolarHBondContact CG-OG 3.42Å; T1851-S1853 VanDerWaalsContact C-N 3.32Å; T1851-S1853 PolarHBondContact O-N 3.17Å; S1853-G1857 VanDerWaalsContact O-CA 3.32Å; S1853-G1857 WeakPolarHBondContact O-CA 3.27Å; S1853-G1857 PolarHBondContact O-N 3.18Å
1854K85.2Confident85Confident142.8 Ų142.832.9 Ų32.962%0.62119%0.185SC*.Hα-helixtrans-64.6-50.1-179.7-135.8176.3-179.1179.20112.7E1842 H1852 A1858E1842-K1854 HydrophobicContact CG-CB 4.36Å; E1842-K1854 HydrophobicContact CG-CG 3.94Å; E1842-K1854 WeakPolarHBondContact OE1-CB 3.47Å; E1842-K1854 WeakPolarHBondContact OE1-CE 3.28Å; E1842-K1854 WeakPolarHBondContact OE1-CG 3.2Å; H1852-K1854 VanDerWaalsContact C-N 3.28Å; H1852-K1854 PolarHBondContact O-N 3.17Å; H1852-K1854 VanDerWaalsContact O-N 3.17Å; K1854-A1858 WeakPolarHBondContact O-CB 3.4Å; K1854-A1858 PolarHBondContact O-N 3.27Å; K1854-A1858 VanDerWaalsContact O-N 3.1Å
1855V87.2Confident84.6Confident68.2 Ų68.235.7 Ų35.741%0.41320%0.195SC..Hα-helixtrans-67.9-44.8-179.1179.10000110.2H1852 K1859H1852-V1855 PolarHBondContact O-N 3.02Å; V1855-K1859 HydrophobicContact CG1-CD 4.19Å; V1855-K1859 WeakPolarHBondContact O-CB 3.35Å; V1855-K1859 VanDerWaalsContact O-CG 3.3Å; V1855-K1859 WeakPolarHBondContact O-CG 3.39Å; V1855-K1859 PolarHBondContact O-N 3.01Å
1856I86.5Confident84Confident2.2 Ų2.237.6 Ų37.61%0.01121%0.207CC..Hα-helixtrans-69.8-40.8-178.6-63.9174.5000111L1845 F1850 H1852 K1859 L1860 E1928 V1932L1845-I1856 HydrophobicContact CD1-CB 4.25Å; L1845-I1856 HydrophobicContact CD1-CG2 3.85Å; F1850-I1856 HydrophobicContact CD1-CD1 4.34Å; H1852-I1856 HydrophobicContact CB-CD1 4.16Å; H1852-I1856 HydrophobicContact CB-CG1 4.41Å; H1852-I1856 WeakPolarHBondContact O-CG1 3.37Å; H1852-I1856 PolarHBondContact O-N 3Å; H1852-I1856 VanDerWaalsContact O-N 3.14Å; I1856-K1859 PolarHBondContact O-N 2.84Å; I1856-L1860 VanDerWaalsContact O-CB 3.26Å; I1856-L1860 WeakPolarHBondContact O-CB 3.27Å; I1856-L1860 PolarHBondContact O-N 3.06Å; I1856-E1928 HydrophobicContact CD1-CB 3.51Å; I1856-E1928 VanDerWaalsContact CD1-CB 3.45Å; I1856-E1928 HydrophobicContact CD1-CG 4.49Å; I1856-E1928 WeakPolarHBondContact CD1-OE2 3.35Å; I1856-V1932 HydrophobicContact CG2-CB 4.38Å; I1856-V1932 HydrophobicContact CG2-CG1 4.34Å; I1856-V1932 HydrophobicContact CG2-CG2 3.82Å
1857G86.4Confident83.5Confident0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-60.8-47.1175.900000112S1853 K1859 L1860 V1861S1853-G1857 VanDerWaalsContact O-CA 3.32Å; S1853-G1857 WeakPolarHBondContact O-CA 3.27Å; S1853-G1857 PolarHBondContact O-N 3.18Å; G1857-K1859 PolarHBondContact O-N 3.15Å; G1857-L1860 PolarHBondContact O-N 3.31Å; G1857-V1861 WeakPolarHBondContact O-CG2 3.4Å; G1857-V1861 PolarHBondContact O-N 3.12Å
1858A87.3Confident82.8Confident38.2 Ų38.243 Ų4332%0.31622%0.223SC..Hα-helixtrans-61.5-44.7174.900000112.3K1854 L1860 V1861 C1862K1854-A1858 WeakPolarHBondContact O-CB 3.4Å; K1854-A1858 PolarHBondContact O-N 3.27Å; K1854-A1858 VanDerWaalsContact O-N 3.1Å; A1858-L1860 PolarHBondContact O-N 3.4Å; A1858-V1861 PolarHBondContact O-N 3.13Å; A1858-C1862 VanDerWaalsContact O-CB 3.24Å; A1858-C1862 WeakPolarHBondContact O-CB 3.25Å; A1858-C1862 PolarHBondContact O-N 3.15Å
1859K85.7Confident81.7Confident68.4 Ų68.446.9 Ų46.930%0.29724%0.241SC..Hα-helixtrans-60.5-44174.9-75.5174.8-179.2175.20112V1855 I1856 G1857 C1862 L1863 E1925 V1959 F1960V1855-K1859 HydrophobicContact CG1-CD 4.19Å; V1855-K1859 WeakPolarHBondContact O-CB 3.35Å; V1855-K1859 VanDerWaalsContact O-CG 3.3Å; V1855-K1859 WeakPolarHBondContact O-CG 3.39Å; V1855-K1859 PolarHBondContact O-N 3.01Å; I1856-K1859 PolarHBondContact O-N 2.84Å; G1857-K1859 PolarHBondContact O-N 3.15Å; K1859-C1862 WeakPolarHBondContact O-CB 3.33Å; K1859-C1862 PolarHBondContact O-N 2.97Å; K1859-L1863 WeakPolarHBondContact O-CB 3.41Å; K1859-L1863 PolarHBondContact O-N 3.31Å; K1859-E1925 IonicContact NZ-OE1 3.36Å; K1859-E1925 PolarHBondContact NZ-OE1 3.12Å; K1859-E1925 VanDerWaalsContact NZ-OE1 3.11Å; K1859-V1959 HydrophobicContact CB-CG1 3.99Å; K1859-V1959 HydrophobicContact CD-CG1 4.45Å; K1859-V1959 HydrophobicContact CG-CG1 4.28Å; K1859-F1960 HydrophobicContact CB-CE1 4.14Å; K1859-F1960 HydrophobicContact CB-CZ 4.29Å; K1859-F1960 HydrophobicContact CD-CD1 4.38Å; K1859-F1960 HydrophobicContact CD-CE1 4.26Å
1860L86.4Confident80.2Confident0.4 Ų0.449.5 Ų49.50%0.00225%0.252CS..Hα-helixtrans-63.7-45.4179.7-178.377.6000111.6A1841 I1856 G1857 A1858 C1862 L1863 F1864 L1900 V1903 T1904 V1932 L1936A1841-L1860 HydrophobicContact CB-CD2 4.44Å; I1856-L1860 VanDerWaalsContact O-CB 3.26Å; I1856-L1860 WeakPolarHBondContact O-CB 3.27Å; I1856-L1860 PolarHBondContact O-N 3.06Å; G1857-L1860 PolarHBondContact O-N 3.31Å; A1858-L1860 PolarHBondContact O-N 3.4Å; L1860-C1862 VanDerWaalsContact C-N 3.32Å; L1860-C1862 PolarHBondContact O-N 2.99Å; L1860-L1863 WeakPolarHBondContact O-CB 3.37Å; L1860-L1863 PolarHBondContact O-N 2.92Å; L1860-F1864 HydrophobicContact CD1-CD2 4.28Å; L1860-F1864 HydrophobicContact CD1-CE2 3.89Å; L1860-F1864 HydrophobicContact CD2-CD2 3.57Å; L1860-F1864 HydrophobicContact CD2-CE2 3.45Å; L1860-F1864 VanDerWaalsContact CD2-CE2 3.45Å; L1860-F1864 HydrophobicContact CD2-CG 4.32Å; L1860-F1864 HydrophobicContact CD2-CZ 4.12Å; L1860-F1864 HydrophobicContact CG-CD2 4.38Å; L1860-F1864 HydrophobicContact CG-CE2 4.19Å; L1860-F1864 VanDerWaalsContact O-CD2 3.25Å; L1860-F1864 WeakPolarHBondContact O-CD2 3.29Å; L1860-F1864 PolarHBondContact O-N 3.22Å; L1860-F1864 VanDerWaalsContact O-N 3.1Å; L1860-L1900 HydrophobicContact CD1-CD1 4.33Å; L1860-L1900 HydrophobicContact CD2-CD1 3.46Å; L1860-L1900 VanDerWaalsContact CD2-CD1 3.48Å; L1860-L1900 HydrophobicContact CG-CD1 3.88Å; L1860-V1903 HydrophobicContact CD1-CG1 4.22Å; L1860-T1904 HydrophobicContact CD2-CG2 4.19Å; L1860-V1932 HydrophobicContact CD1-CG1 4.11Å; L1860-L1936 HydrophobicContact CD1-CD1 3.87Å; L1860-L1936 HydrophobicContact CD1-CD2 3.72Å; L1860-L1936 HydrophobicContact CD1-CG 4.07Å
1861V85.6Confident78.3Confident2.4 Ų2.458.8 Ų58.82%0.01529%0.287CS..Hα-helixtrans-71.6-35177.7173.50000111.6D1837 E1838 A1841 G1857 A1858 L1863 F1864 K1865 L1900D1837-V1861 HydrophobicContact CB-CG1 3.94Å; D1837-V1861 HydrophobicContact CB-CG2 4.1Å; D1837-V1861 WeakPolarHBondContact O-CG2 3.35Å; E1838-V1861 HydrophobicContact CB-CG1 4.45Å; E1838-V1861 HydrophobicContact CG-CB 3.77Å; E1838-V1861 HydrophobicContact CG-CG1 3.54Å; E1838-V1861 VanDerWaalsContact CG-CG1 3.48Å; E1838-V1861 HydrophobicContact CG-CG2 4.19Å; A1841-V1861 HydrophobicContact CB-CG2 3.79Å; G1857-V1861 WeakPolarHBondContact O-CG2 3.4Å; G1857-V1861 PolarHBondContact O-N 3.12Å; A1858-V1861 PolarHBondContact O-N 3.13Å; V1861-L1863 VanDerWaalsContact C-N 3.28Å; V1861-L1863 PolarHBondContact O-N 3.12Å; V1861-F1864 PolarHBondContact O-N 2.99Å; V1861-K1865 HydrophobicContact CG1-CD 4.04Å; V1861-K1865 HydrophobicContact CG1-CG 4.27Å; V1861-K1865 WeakPolarHBondContact O-CB 3.35Å; V1861-K1865 VanDerWaalsContact O-CG 3.3Å; V1861-K1865 WeakPolarHBondContact O-CG 3.38Å; V1861-K1865 PolarHBondContact O-N 3.17Å; V1861-L1900 HydrophobicContact CG2-CD1 4.48Å
1862C84.9Confident76.5Confident63.8 Ų63.859.1 Ų59.143%0.43129%0.293SS..Hα-helixtrans-57-47.5170.4-177.40000110.9A1858 K1859 L1860 F1864 K1865 T1866A1858-C1862 VanDerWaalsContact O-CB 3.24Å; A1858-C1862 WeakPolarHBondContact O-CB 3.25Å; A1858-C1862 PolarHBondContact O-N 3.15Å; K1859-C1862 WeakPolarHBondContact O-CB 3.33Å; K1859-C1862 PolarHBondContact O-N 2.97Å; L1860-C1862 VanDerWaalsContact C-N 3.32Å; L1860-C1862 PolarHBondContact O-N 2.99Å; C1862-F1864 PolarHBondContact O-N 3.24Å; C1862-K1865 WeakPolarHBondContact O-CB 3.28Å; C1862-K1865 PolarHBondContact O-N 3.15Å; C1862-T1866 WeakPolarHBondContact O-CB 3.47Å; C1862-T1866 PolarHBondContact O-N 3.22Å; C1862-T1866 PolarHBondContact O-OG1 3.14Å; C1862-T1866 VanDerWaalsContact O-OG1 3.05Å
1863L82.9Confident74.5Confident1.6 Ų1.663.6 Ų63.61%0.00831%0.312CS..Hα-helixtrans-57.4-47.9174.4-115.1138.6000112.1K1859 L1860 V1861 K1865 T1866 F1867 L1936 L1955 L1956 V1959 F1960K1859-L1863 WeakPolarHBondContact O-CB 3.41Å; K1859-L1863 PolarHBondContact O-N 3.31Å; L1860-L1863 WeakPolarHBondContact O-CB 3.37Å; L1860-L1863 PolarHBondContact O-N 2.92Å; V1861-L1863 VanDerWaalsContact C-N 3.28Å; V1861-L1863 PolarHBondContact O-N 3.12Å; L1863-K1865 VanDerWaalsContact C-N 3.33Å; L1863-K1865 PolarHBondContact O-N 3.07Å; L1863-T1866 WeakPolarHBondContact O-CB 3.49Å; L1863-T1866 PolarHBondContact O-N 3Å; L1863-T1866 VanDerWaalsContact O-N 3.15Å; L1863-F1867 HydrophobicContact CB-CE2 4.04Å; L1863-F1867 HydrophobicContact CB-CZ 4.23Å; L1863-F1867 HydrophobicContact CD1-CD2 4.18Å; L1863-F1867 HydrophobicContact CD1-CE1 4.3Å; L1863-F1867 HydrophobicContact CD1-CE2 3.92Å; L1863-F1867 VanDerWaalsContact CD1-CE2 3.43Å; L1863-F1867 HydrophobicContact CD1-CZ 3.9Å; L1863-F1867 HydrophobicContact CD2-CD2 4.08Å; L1863-F1867 HydrophobicContact CD2-CE1 4.35Å; L1863-F1867 HydrophobicContact CD2-CE2 3.85Å; L1863-F1867 HydrophobicContact CD2-CZ 3.77Å; L1863-F1867 HydrophobicContact CG-CD2 4.01Å; L1863-F1867 HydrophobicContact CG-CE1 3.98Å; L1863-F1867 HydrophobicContact CG-CE2 3.44Å; L1863-F1867 HydrophobicContact CG-CZ 3.88Å; L1863-F1867 VanDerWaalsContact O-CD2 3.24Å; L1863-F1867 WeakPolarHBondContact O-CD2 3.32Å; L1863-F1867 WeakPolarHBondContact O-CG 3.33Å; L1863-F1867 PolarHBondContact O-N 3.28Å; L1863-L1936 HydrophobicContact CD1-CD1 4.26Å; L1863-L1936 HydrophobicContact CD2-CD1 3.72Å; L1863-L1936 HydrophobicContact CD2-CD2 4.2Å; L1863-L1955 HydrophobicContact CD1-CB 4.24Å; L1863-L1955 HydrophobicContact CD2-CB 4.5Å; L1863-L1956 HydrophobicContact CD1-CD2 4.13Å; L1863-L1956 HydrophobicContact CD2-CD2 3.84Å; L1863-V1959 HydrophobicContact CD1-CB 4.14Å; L1863-V1959 HydrophobicContact CD1-CG1 4.05Å; L1863-V1959 HydrophobicContact CD1-CG2 3.95Å; L1863-V1959 HydrophobicContact CD2-CB 3.89Å; L1863-V1959 HydrophobicContact CD2-CG1 4.35Å; L1863-V1959 HydrophobicContact CD2-CG2 3.47Å; L1863-V1959 VanDerWaalsContact CD2-CG2 3.42Å; L1863-V1959 HydrophobicContact CG-CB 4.05Å; L1863-V1959 HydrophobicContact CG-CG1 3.93Å; L1863-V1959 HydrophobicContact CG-CG2 3.88Å; L1863-F1960 HydrophobicContact CD1-CD2 4.2Å; L1863-F1960 HydrophobicContact CD1-CE2 3.45Å; L1863-F1960 VanDerWaalsContact CD1-CE2 3.43Å; L1863-F1960 HydrophobicContact CD1-CZ 4.14Å
1864F82.9Confident72.4Confident10.4 Ų10.466.8 Ų66.85%0.04633%0.328CS..Hα-helixtrans-63.6-38.2178.3-85.3-130.7000112.4L1860 V1861 C1862 F1867 R1868 W1895 T1899 L1900 V1903 L1936L1860-F1864 HydrophobicContact CD1-CD2 4.28Å; L1860-F1864 HydrophobicContact CD1-CE2 3.89Å; L1860-F1864 HydrophobicContact CD2-CD2 3.57Å; L1860-F1864 HydrophobicContact CD2-CE2 3.45Å; L1860-F1864 VanDerWaalsContact CD2-CE2 3.45Å; L1860-F1864 HydrophobicContact CD2-CG 4.32Å; L1860-F1864 HydrophobicContact CD2-CZ 4.12Å; L1860-F1864 HydrophobicContact CG-CD2 4.38Å; L1860-F1864 HydrophobicContact CG-CE2 4.19Å; L1860-F1864 VanDerWaalsContact O-CD2 3.25Å; L1860-F1864 WeakPolarHBondContact O-CD2 3.29Å; L1860-F1864 PolarHBondContact O-N 3.22Å; L1860-F1864 VanDerWaalsContact O-N 3.1Å; V1861-F1864 PolarHBondContact O-N 2.99Å; C1862-F1864 PolarHBondContact O-N 3.24Å; F1864-F1867 HydrophobicContact CD2-CD2 4.41Å; F1864-F1867 HydrophobicContact CD2-CE2 4.5Å; F1864-F1867 PolarHBondContact O-N 3.05Å; F1864-R1868 VanDerWaalsContact O-CB 3.29Å; F1864-R1868 WeakPolarHBondContact O-CB 3.29Å; F1864-R1868 PolarHBondContact O-N 3.06Å; F1864-R1868 VanDerWaalsContact O-N 3.11Å; F1864-W1895 HydrophobicContact CD1-CB 4.2Å; F1864-W1895 HydrophobicContact CD1-CE3 4.5Å; F1864-W1895 VanDerWaalsContact CD1-O 3.26Å; F1864-W1895 WeakPolarHBondContact CD1-O 3.32Å; F1864-W1895 HydrophobicContact CD2-CE3 4.47Å; F1864-W1895 HydrophobicContact CE1-CE3 4.39Å; F1864-W1895 HydrophobicContact CE2-CE3 4.4Å; F1864-W1895 HydrophobicContact CZ-CE3 4.49Å; F1864-T1899 HydrophobicContact CE1-CG2 4.05Å; F1864-T1899 HydrophobicContact CZ-CG2 3.99Å; F1864-L1900 HydrophobicContact CD1-CB 4.4Å; F1864-L1900 HydrophobicContact CD1-CD1 4.37Å; F1864-L1900 HydrophobicContact CD2-CD1 4.48Å; F1864-L1900 HydrophobicContact CE1-CB 4.08Å; F1864-L1900 HydrophobicContact CE1-CD1 4.18Å; F1864-L1900 HydrophobicContact CE2-CD1 4.2Å; F1864-L1900 HydrophobicContact CZ-CB 4.45Å; F1864-L1900 HydrophobicContact CZ-CD1 4.29Å; F1864-V1903 HydrophobicContact CZ-CG2 4.4Å; F1864-L1936 HydrophobicContact CE2-CD2 3.69Å; F1864-L1936 HydrophobicContact CZ-CD2 4.35Å
1865K80Confident70.3Confident91 Ų9165.4 Ų65.440%0.39634%0.336SS..Hα-helixtrans-64.4-43.6173.8-75.5173.3179.3171.80110.8E1838 V1861 C1862 L1863 F1867 R1868 Q1869E1838-K1865 IonicContact OE1-NZ 2.98Å; E1838-K1865 PolarHBondContact OE1-NZ 3.25Å; V1861-K1865 HydrophobicContact CG1-CD 4.04Å; V1861-K1865 HydrophobicContact CG1-CG 4.27Å; V1861-K1865 WeakPolarHBondContact O-CB 3.35Å; V1861-K1865 VanDerWaalsContact O-CG 3.3Å; V1861-K1865 WeakPolarHBondContact O-CG 3.38Å; V1861-K1865 PolarHBondContact O-N 3.17Å; C1862-K1865 WeakPolarHBondContact O-CB 3.28Å; C1862-K1865 PolarHBondContact O-N 3.15Å; L1863-K1865 VanDerWaalsContact C-N 3.33Å; L1863-K1865 PolarHBondContact O-N 3.07Å; K1865-F1867 VanDerWaalsContact C-N 3.35Å; K1865-F1867 PolarHBondContact O-N 3.15Å; K1865-R1868 CarbonylContact O-C 3.56Å; K1865-R1868 PolarHBondContact O-N 3.19Å; K1865-R1868 VanDerWaalsContact O-N 3.16Å; K1865-Q1869 VanDerWaalsContact O-CB 3.31Å; K1865-Q1869 WeakPolarHBondContact O-CB 3.4Å; K1865-Q1869 WeakPolarHBondContact O-CG 3.31Å; K1865-Q1869 PolarHBondContact O-N 3.06Å
1866T74.2Confident68.1Low40.2 Ų40.270 Ų7025%0.24736%0.355CS..Hα-helixtrans-62.4-43.9175.9-56.50000111.4C1862 L1863 R1868 Q1869 V1870 L1955C1862-T1866 WeakPolarHBondContact O-CB 3.47Å; C1862-T1866 PolarHBondContact O-N 3.22Å; C1862-T1866 PolarHBondContact O-OG1 3.14Å; C1862-T1866 VanDerWaalsContact O-OG1 3.05Å; L1863-T1866 WeakPolarHBondContact O-CB 3.49Å; L1863-T1866 PolarHBondContact O-N 3Å; L1863-T1866 VanDerWaalsContact O-N 3.15Å; T1866-R1868 VanDerWaalsContact C-N 3.29Å; T1866-R1868 PolarHBondContact O-N 3.09Å; T1866-Q1869 PolarHBondContact O-N 3.37Å; T1866-V1870 HydrophobicContact CG2-CG2 4.27Å; T1866-V1870 WeakPolarHBondContact O-CB 3.43Å; T1866-V1870 WeakPolarHBondContact O-CG2 3.37Å; T1866-V1870 PolarHBondContact O-N 3.05Å; T1866-L1955 HydrophobicContact CG2-CD1 4.48Å; T1866-L1955 HydrophobicContact CG2-CD2 4.31Å
1867F75.1Confident66.1Low11.2 Ų11.278.3 Ų78.35%0.04939%0.392CS..Hα-helixtrans-63.5-30.8174.9-63.3-34.7000113.2L1863 F1864 K1865 L1887 W1895 F1952 L1955L1863-F1867 HydrophobicContact CB-CE2 4.04Å; L1863-F1867 HydrophobicContact CB-CZ 4.23Å; L1863-F1867 HydrophobicContact CD1-CD2 4.18Å; L1863-F1867 HydrophobicContact CD1-CE1 4.3Å; L1863-F1867 HydrophobicContact CD1-CE2 3.92Å; L1863-F1867 VanDerWaalsContact CD1-CE2 3.43Å; L1863-F1867 HydrophobicContact CD1-CZ 3.9Å; L1863-F1867 HydrophobicContact CD2-CD2 4.08Å; L1863-F1867 HydrophobicContact CD2-CE1 4.35Å; L1863-F1867 HydrophobicContact CD2-CE2 3.85Å; L1863-F1867 HydrophobicContact CD2-CZ 3.77Å; L1863-F1867 HydrophobicContact CG-CD2 4.01Å; L1863-F1867 HydrophobicContact CG-CE1 3.98Å; L1863-F1867 HydrophobicContact CG-CE2 3.44Å; L1863-F1867 HydrophobicContact CG-CZ 3.88Å; L1863-F1867 VanDerWaalsContact O-CD2 3.24Å; L1863-F1867 WeakPolarHBondContact O-CD2 3.32Å; L1863-F1867 WeakPolarHBondContact O-CG 3.33Å; L1863-F1867 PolarHBondContact O-N 3.28Å; F1864-F1867 HydrophobicContact CD2-CD2 4.41Å; F1864-F1867 HydrophobicContact CD2-CE2 4.5Å; F1864-F1867 PolarHBondContact O-N 3.05Å; K1865-F1867 VanDerWaalsContact C-N 3.35Å; K1865-F1867 PolarHBondContact O-N 3.15Å; F1867-L1887 HydrophobicContact CB-CD1 4.04Å; F1867-L1887 HydrophobicContact CD1-CD1 3.47Å; F1867-L1887 VanDerWaalsContact CD1-CD1 3.44Å; F1867-L1887 HydrophobicContact CD1-CG 4.29Å; F1867-L1887 HydrophobicContact CE1-CD1 4.05Å; F1867-L1887 HydrophobicContact CG-CD1 3.88Å; F1867-W1895 HydrophobicContact CB-CD2 3.81Å; F1867-W1895 HydrophobicContact CB-CE3 4.29Å; F1867-W1895 HydrophobicContact CB-CG 4.02Å; F1867-W1895 HydrophobicContact CB-CH2 4.49Å; F1867-W1895 HydrophobicContact CB-CZ2 4.17Å; F1867-W1895 HydrophobicContact CD1-CH2 4.31Å; F1867-W1895 HydrophobicContact CD1-CZ2 4.05Å; F1867-W1895 AromaticContact CD2-CD2 3.92Å; F1867-W1895 HydrophobicContact CD2-CD2 4.07Å; F1867-W1895 AromaticContact CD2-CE3 3.74Å; F1867-W1895 HydrophobicContact CD2-CE3 3.84Å; F1867-W1895 AromaticContact CD2-CH2 3.86Å; F1867-W1895 HydrophobicContact CD2-CH2 4.02Å; F1867-W1895 HydrophobicContact CD2-CZ2 4.35Å; F1867-W1895 AromaticContact CD2-CZ3 3.75Å; F1867-W1895 HydrophobicContact CD2-CZ3 3.75Å; F1867-W1895 HydrophobicContact CE2-CE3 4.35Å; F1867-W1895 HydrophobicContact CE2-CH2 4.32Å; F1867-W1895 AromaticContact CE2-CZ3 3.92Å; F1867-W1895 HydrophobicContact CE2-CZ3 4.17Å; F1867-W1895 HydrophobicContact CG-CD2 4.35Å; F1867-W1895 HydrophobicContact CG-CE3 4.41Å; F1867-W1895 HydrophobicContact CG-CH2 4.3Å; F1867-W1895 AromaticContact CG-CZ2 3.95Å; F1867-W1895 HydrophobicContact CG-CZ2 4.27Å; F1867-W1895 HydrophobicContact CG-CZ3 4.38Å; F1867-W1895 PolarHBondContact O-NE1 2.98Å; F1867-F1952 HydrophobicContact CE1-CB 4.38Å; F1867-F1952 AromaticContact CE1-CD2 3.84Å; F1867-F1952 HydrophobicContact CE1-CD2 3.84Å; F1867-F1952 HydrophobicContact CE1-CE2 4.28Å; F1867-F1952 AromaticContact CE2-CD2 3.78Å; F1867-F1952 HydrophobicContact CE2-CD2 3.92Å; F1867-F1952 AromaticContact CE2-CE2 3.64Å; F1867-F1952 HydrophobicContact CE2-CE2 3.64Å; F1867-F1952 HydrophobicContact CZ-CB 4.19Å; F1867-F1952 AromaticContact CZ-CD2 3.37Å; F1867-F1952 HydrophobicContact CZ-CD2 3.37Å; F1867-F1952 VanDerWaalsContact CZ-CD2 3.45Å; F1867-F1952 AromaticContact CZ-CE2 3.48Å; F1867-F1952 HydrophobicContact CZ-CE2 3.48Å; F1867-F1952 VanDerWaalsContact CZ-CE2 3.43Å; F1867-F1952 AromaticContact CZ-CG 3.97Å; F1867-F1952 HydrophobicContact CZ-CG 4.18Å; F1867-L1955 HydrophobicContact CD1-CD1 4.04Å; F1867-L1955 HydrophobicContact CE1-CB 4.14Å; F1867-L1955 HydrophobicContact CE1-CD1 3.66Å; F1867-L1955 VanDerWaalsContact CE1-CD1 3.47Å; F1867-L1955 HydrophobicContact CZ-CB 4.21Å; F1867-L1955 HydrophobicContact CZ-CD1 3.75Å
1868R71.2Confident63.7Low147.4 Ų147.482.6 Ų82.656%0.55642%0.418SS*.Hα-helixtrans-83.1-30.8179.1-171.4179.8-140.9167.60.4113.2D1837 F1864 K1865 T1866 V1870 R1871 W1895D1837-R1868 IonicContact OD2-NH1 3.38Å; D1837-R1868 IonicContact OD2-NH2 2.94Å; F1864-R1868 VanDerWaalsContact O-CB 3.29Å; F1864-R1868 WeakPolarHBondContact O-CB 3.29Å; F1864-R1868 PolarHBondContact O-N 3.06Å; F1864-R1868 VanDerWaalsContact O-N 3.11Å; K1865-R1868 CarbonylContact O-C 3.56Å; K1865-R1868 PolarHBondContact O-N 3.19Å; K1865-R1868 VanDerWaalsContact O-N 3.16Å; T1866-R1868 VanDerWaalsContact C-N 3.29Å; T1866-R1868 PolarHBondContact O-N 3.09Å; R1868-V1870 PolarHBondContact O-N 3.16Å; R1868-R1871 WeakPolarHBondContact O-CB 3.36Å; R1868-W1895 PolarHBondContact NH2-O 3.14Å
1869Q59.8Low61.3Low103.4 Ų103.486.9 Ų86.948%0.48345%0.446SS..  trans-79.4109.8-173.6-82.6-176-2.500112.3K1865 T1866 R1871 S1872 F1873K1865-Q1869 VanDerWaalsContact O-CB 3.31Å; K1865-Q1869 WeakPolarHBondContact O-CB 3.4Å; K1865-Q1869 WeakPolarHBondContact O-CG 3.31Å; K1865-Q1869 PolarHBondContact O-N 3.06Å; T1866-Q1869 PolarHBondContact O-N 3.37Å; Q1869-R1871 PolarHBondContact O-N 3.08Å; Q1869-S1872 CarbonylContact O-C 3.56Å; Q1869-S1872 WeakPolarHBondContact O-CA 3.47Å; Q1869-S1872 PolarHBondContact O-N 3.46Å; Q1869-F1873 PolarHBondContact O-N 3.36Å
1870V50.3Low59Low74.4 Ų74.490.9 Ų90.945%0.45146%0.464SS..  trans-79.7120.2168.4175.30000109.2T1866 R1868 S1872 F1873 I1874 T1886 L1887 K1889T1866-V1870 HydrophobicContact CG2-CG2 4.27Å; T1866-V1870 WeakPolarHBondContact O-CB 3.43Å; T1866-V1870 WeakPolarHBondContact O-CG2 3.37Å; T1866-V1870 PolarHBondContact O-N 3.05Å; R1868-V1870 PolarHBondContact O-N 3.16Å; V1870-S1872 VanDerWaalsContact C-N 3.29Å; V1870-S1872 PolarHBondContact O-N 3.07Å; V1870-F1873 PolarHBondContact O-N 2.87Å; V1870-I1874 HydrophobicContact CG1-CD1 4.25Å; V1870-T1886 HydrophobicContact CG1-CG2 3.44Å; V1870-T1886 VanDerWaalsContact CG1-CG2 3.44Å; V1870-T1886 HydrophobicContact CG2-CG2 4.5Å; V1870-L1887 HydrophobicContact CB-CD1 4.47Å; V1870-L1887 HydrophobicContact CG1-CB 4.25Å; V1870-L1887 HydrophobicContact CG1-CD1 4.05Å; V1870-L1887 HydrophobicContact CG1-CG 4.37Å; V1870-K1889 HydrophobicContact CG2-CD 3.86Å; V1870-K1889 HydrophobicContact CG2-CG 3.94Å
1871R42.7Very low56.7Low197.6 Ų197.698.9 Ų98.975%0.74651%0.506SS*.THydrogen-bonded Turntrans-11.9-10.9166.2-154.6176.5176.1128.40.8118.3R1868 Q1869 S1884R1868-R1871 WeakPolarHBondContact O-CB 3.36Å; Q1869-R1871 PolarHBondContact O-N 3.08Å; R1871-S1884 PolarHBondContact NH1-O 3.1Å; R1871-S1884 PolarHBondContact NH2-O 3.08Å
1872S42.5Very low54.5Low98.6 Ų98.6104.9 Ų104.969%0.6954%0.538SS*.THydrogen-bonded Turntrans-92.8-18.1-170.7-165.20000116.3Q1869 V1870 I1874 S1875Q1869-S1872 CarbonylContact O-C 3.56Å; Q1869-S1872 WeakPolarHBondContact O-CA 3.47Å; Q1869-S1872 PolarHBondContact O-N 3.46Å; V1870-S1872 VanDerWaalsContact C-N 3.29Å; V1870-S1872 PolarHBondContact O-N 3.07Å; S1872-I1874 PolarHBondContact O-N 3.16Å; S1872-S1875 VanDerWaalsContact O-CB 3.27Å; S1872-S1875 WeakPolarHBondContact O-CB 3.34Å; S1872-S1875 PolarHBondContact O-N 3.19Å; S1872-S1875 VanDerWaalsContact O-N 3.11Å
1873F42.1Very low52.3Low166 Ų166108.4 Ų108.473%0.72855%0.546SS*.SBendtrans-105.6-21.3-173.3-131.4-92.5000115Q1869 V1870 S1875 M1876 F1877Q1869-F1873 PolarHBondContact O-N 3.36Å; V1870-F1873 PolarHBondContact O-N 2.87Å; F1873-S1875 PolarHBondContact O-N 2.94Å; F1873-M1876 PolarHBondContact O-N 2.87Å; F1873-M1876 VanDerWaalsContact O-N 3.1Å; F1873-F1877 PolarHBondContact O-N 3.36Å
1874I41.2Very low50.4Low73.6 Ų73.6112.3 Ų112.338%0.37757%0.573SS.*G310 helixtrans-78.7-17.9-174.8-67.5171.2000112.8V1870 S1872 M1876 F1877 T1878V1870-I1874 HydrophobicContact CG1-CD1 4.25Å; S1872-I1874 PolarHBondContact O-N 3.16Å; I1874-M1876 PolarHBondContact O-N 3.19Å; I1874-M1876 VanDerWaalsContact O-N 3.08Å; I1874-F1877 PolarHBondContact O-N 3.46Å; I1874-T1878 PolarHBondContact O-OG1 3.34Å
1875S40.4Very low48.9Very low114.2 Ų114.2117.1 Ų117.180%0.79960%0.599SS**G310 helixtrans-69.7-6.8-179.199.90000114.9S1872 F1873S1872-S1875 VanDerWaalsContact O-CB 3.27Å; S1872-S1875 WeakPolarHBondContact O-CB 3.34Å; S1872-S1875 PolarHBondContact O-N 3.19Å; S1872-S1875 VanDerWaalsContact O-N 3.11Å; F1873-S1875 PolarHBondContact O-N 2.94Å
1876M41.9Very low48.1Very low164 Ų164115.3 Ų115.381%0.80860%0.596SS**G310 helixtrans-111.2-14.2-172.3-144.5175.4-161.900115.1F1873 I1874F1873-M1876 PolarHBondContact O-N 2.87Å; F1873-M1876 VanDerWaalsContact O-N 3.1Å; I1874-M1876 PolarHBondContact O-N 3.19Å; I1874-M1876 VanDerWaalsContact O-N 3.08Å
1877F43.5Very low47.8Very low177.6 Ų177.6114.1 Ų114.178%0.77959%0.588SS**THydrogen-bonded Turntrans-126.9-3.6-169.9-100.2-80.8000118.6F1873 I1874F1873-F1877 PolarHBondContact O-N 3.36Å; I1874-F1877 PolarHBondContact O-N 3.46Å
1878T36.7Very low47.7Very low91 Ų91115.5 Ų115.556%0.55860%0.599SS**  trans-144.4116.9172420000112.3I1874 F1880I1874-T1878 PolarHBondContact O-OG1 3.34Å; T1878-F1880 WeakPolarHBondContact CG2-O 3.32Å; T1878-F1880 PolarHBondContact O-N 3.16Å
1879S37.1Very low47.8Very low128.6 Ų128.6117 Ų11790%0.89961%0.61SS**  trans-77.339.2169.9-39.50000113.1
1880F38.1Very low48.4Very low152.4 Ų152.4115.5 Ų115.567%0.66860%0.603SS**  trans-129101.6-179.1-112.9-96.2000109.5T1878 L1882T1878-F1880 WeakPolarHBondContact CG2-O 3.32Å; T1878-F1880 PolarHBondContact O-N 3.16Å; F1880-L1882 HydrophobicContact CD1-CD1 3.96Å; F1880-L1882 HydrophobicContact CE1-CD1 4.29Å; F1880-L1882 PolarHBondContact O-N 3.08Å
1881D37.8Very low49.5Very low166.6 Ų166.6116.1 Ų116.189%0.89160%0.601SS**  trans-68.630.6-177.3-76.9-43.8000114.9F1883D1881-F1883 VanDerWaalsContact C-N 3.33Å; D1881-F1883 PolarHBondContact O-N 3.34Å
1882L38.6Very low51Low130.2 Ų130.2107.2 Ų107.268%0.68257%0.567SS**  trans-98.31.4-172-104.1101.8000116.2F1880F1880-L1882 HydrophobicContact CD1-CD1 3.96Å; F1880-L1882 HydrophobicContact CE1-CD1 4.29Å; F1880-L1882 PolarHBondContact O-N 3.08Å
1883F39Very low52.7Low135.8 Ų135.8103.7 Ų103.760%0.59654%0.54SS*.  trans-117.255.5-178.9-70.7-79.5000112.8D1881 D1885D1881-F1883 VanDerWaalsContact C-N 3.33Å; D1881-F1883 PolarHBondContact O-N 3.34Å; F1883-D1885 VanDerWaalsContact C-N 3.29Å; F1883-D1885 PolarHBondContact O-N 3.42Å
1884S43.9Very low54.2Low84.8 Ų84.897.7 Ų97.759%0.59352%0.515SS*.  trans-74.4-18.8177.656.50000114.4R1871 T1886R1871-S1884 PolarHBondContact NH1-O 3.1Å; R1871-S1884 PolarHBondContact NH2-O 3.08Å; S1884-T1886 PolarHBondContact O-N 3Å
1885D51.1Low55.9Low109.8 Ų109.895.1 Ų95.159%0.58750%0.5SS*.  trans-103.268.9-165.3-61.8-6.7000111.8F1883 T1951F1883-D1885 VanDerWaalsContact C-N 3.29Å; F1883-D1885 PolarHBondContact O-N 3.42Å; D1885-T1951 HydrophobicContact CB-CG2 4.14Å; D1885-T1951 WeakPolarHBondContact O-CG2 3.36Å
1886T62.2Low57.7Low54.4 Ų54.490.6 Ų90.633%0.33447%0.472SS..PPolyproline II helixtrans-100.4150.6171.543.20000111.5V1870 S1884 T1951V1870-T1886 HydrophobicContact CG1-CG2 3.44Å; V1870-T1886 VanDerWaalsContact CG1-CG2 3.44Å; V1870-T1886 HydrophobicContact CG2-CG2 4.5Å; S1884-T1886 PolarHBondContact O-N 3Å; T1886-T1951 HydrophobicContact CG2-CG2 4.46Å
1887L69.2Low59.4Low14.2 Ų14.284.9 Ų84.97%0.07444%0.444CS..PPolyproline II helixtrans-54.5144.5-179.2-63.5170.9000112.9F1867 V1870 Y1893 W1895 L1944 D1948 T1951 F1952F1867-L1887 HydrophobicContact CB-CD1 4.04Å; F1867-L1887 HydrophobicContact CD1-CD1 3.47Å; F1867-L1887 VanDerWaalsContact CD1-CD1 3.44Å; F1867-L1887 HydrophobicContact CD1-CG 4.29Å; F1867-L1887 HydrophobicContact CE1-CD1 4.05Å; F1867-L1887 HydrophobicContact CG-CD1 3.88Å; V1870-L1887 HydrophobicContact CB-CD1 4.47Å; V1870-L1887 HydrophobicContact CG1-CB 4.25Å; V1870-L1887 HydrophobicContact CG1-CD1 4.05Å; V1870-L1887 HydrophobicContact CG1-CG 4.37Å; L1887-Y1893 HydrophobicContact CB-CE2 4.36Å; L1887-W1895 HydrophobicContact CD1-CH2 4.23Å; L1887-W1895 HydrophobicContact CD1-CZ2 3.79Å; L1887-L1944 HydrophobicContact CD1-CD2 4.39Å; L1887-L1944 HydrophobicContact CD2-CD2 4.36Å; L1887-D1948 VanDerWaalsContact CA-OD1 3.25Å; L1887-D1948 WeakPolarHBondContact CA-OD1 3.33Å; L1887-D1948 HydrophobicContact CD2-CB 3.74Å; L1887-D1948 VanDerWaalsContact CD2-CB 3.44Å; L1887-D1948 VanDerWaalsContact CD2-CG 3.49Å; L1887-D1948 VanDerWaalsContact CD2-O 3.25Å; L1887-D1948 WeakPolarHBondContact CD2-O 3.44Å; L1887-T1951 HydrophobicContact CD2-CG2 4.09Å; L1887-T1951 HydrophobicContact CG-CG2 4.44Å; L1887-F1952 HydrophobicContact CD2-CB 4.23Å
1888S72.8Confident61.2Low41.4 Ų41.479.8 Ų79.829%0.2942%0.42SS..PPolyproline II helixtrans-65149.7177.280.20000112.3Q1890 Y1893 D1948S1888-Q1890 VanDerWaalsContact C-N 3.35Å; S1888-Q1890 PolarHBondContact O-N 3.15Å; S1888-Q1890 VanDerWaalsContact O-N 3.12Å; S1888-Q1890 WeakPolarHBondContact OG-CG 3.32Å; S1888-Q1890 PolarHBondContact OG-NE2 2.88Å; S1888-Q1890 VanDerWaalsContact OG-NE2 3.11Å; S1888-Y1893 VanDerWaalsContact O-CD2 3.28Å; S1888-Y1893 WeakPolarHBondContact O-CD2 3.4Å; S1888-Y1893 VanDerWaalsContact O-CE2 3.27Å; S1888-Y1893 WeakPolarHBondContact O-CE2 3.39Å; S1888-D1948 WeakPolarHBondContact CB-OD2 3.35Å; S1888-D1948 PolarHBondContact N-OD1 3.14Å; S1888-D1948 VanDerWaalsContact N-OD1 3.08Å; S1888-D1948 PolarHBondContact N-OD2 3.26Å; S1888-D1948 PolarHBondContact OG-OD2 3.2Å
1889K72.1Confident63.3Low179.2 Ų179.275.7 Ų75.778%0.77940%0.395SS*.  trans-81.186.1179.8-137.6-176174.21790110.9V1870V1870-K1889 HydrophobicContact CG2-CD 3.86Å; V1870-K1889 HydrophobicContact CG2-CG 3.94Å
1890Q73.6Confident65.6Low71.8 Ų71.869.8 Ų69.834%0.33635%0.353SS..  trans-97.2144.2174.8-57.7-59.9-27.700112.6S1888 H1892 Y1893 T1945S1888-Q1890 VanDerWaalsContact C-N 3.35Å; S1888-Q1890 PolarHBondContact O-N 3.15Å; S1888-Q1890 VanDerWaalsContact O-N 3.12Å; S1888-Q1890 WeakPolarHBondContact OG-CG 3.32Å; S1888-Q1890 PolarHBondContact OG-NE2 2.88Å; S1888-Q1890 VanDerWaalsContact OG-NE2 3.11Å; Q1890-H1892 VanDerWaalsContact C-N 3.29Å; Q1890-H1892 VanDerWaalsContact CB-CE1 3.44Å; Q1890-H1892 WeakPolarHBondContact CB-CE1 3.26Å; Q1890-H1892 PolarHBondContact O-N 3.26Å; Q1890-H1892 PolarHBondContact OE1-CE1 3.23Å; Q1890-Y1893 HydrophobicContact CB-CD1 3.78Å; Q1890-Y1893 HydrophobicContact CB-CD2 3.89Å; Q1890-Y1893 HydrophobicContact CB-CE1 3.82Å; Q1890-Y1893 HydrophobicContact CB-CE2 3.95Å; Q1890-Y1893 HydrophobicContact CB-CG 3.81Å; Q1890-Y1893 HydrophobicContact CG-CD1 4.3Å; Q1890-Y1893 HydrophobicContact CG-CD2 4.18Å; Q1890-Y1893 HydrophobicContact CG-CE1 3.89Å; Q1890-Y1893 HydrophobicContact CG-CE2 3.71Å; Q1890-Y1893 HydrophobicContact CG-CG 4.38Å; Q1890-Y1893 VanDerWaalsContact CG-CZ 3.45Å; Q1890-Y1893 PolarHBondContact O-N 3.07Å; Q1890-T1945 HydrophobicContact CG-CG2 4.48Å
1891Q72.3Confident67.7Low87.2 Ų87.266.4 Ų66.441%0.40734%0.338SS..THydrogen-bonded Turntrans-67.1-28.2179.6-160.6174.50.900113.2Y1893 L2131 H2132 A2134Q1891-Y1893 VanDerWaalsContact C-N 3.29Å; Q1891-Y1893 PolarHBondContact O-N 2.92Å; Q1891-L2131 VanDerWaalsContact CD-O 3.26Å; Q1891-L2131 PolarHBondContact NE2-O 3.34Å; Q1891-L2131 VanDerWaalsContact OE1-C 3.29Å; Q1891-L2131 PolarHBondContact OE1-O 3.09Å; Q1891-H2132 PolarHBondContact NE2-O 3.08Å; Q1891-A2134 PolarHBondContact NE2-O 3.13Å
1892H74.4Confident69.9Low9.2 Ų9.259.7 Ų59.74%0.04330%0.304CS..THydrogen-bonded Turntrans-85.5-3179.955.9-84.4000114Q1890 D1894 K1943 L2012 L2131 V2139 F2144Q1890-H1892 VanDerWaalsContact C-N 3.29Å; Q1890-H1892 VanDerWaalsContact CB-CE1 3.44Å; Q1890-H1892 WeakPolarHBondContact CB-CE1 3.26Å; Q1890-H1892 PolarHBondContact O-N 3.26Å; Q1890-H1892 PolarHBondContact OE1-CE1 3.23Å; H1892-D1894 VanDerWaalsContact C-N 3.34Å; H1892-D1894 PolarHBondContact O-N 2.89Å; H1892-K1943 PolarHBondContact CD2-O 2.92Å; H1892-K1943 VanDerWaalsContact CD2-O 3.27Å; H1892-K1943 PolarHBondContact NE2-O 3.27Å; H1892-K1943 VanDerWaalsContact NE2-O 3.13Å; H1892-L2012 HydrophobicContact CB-CD1 4.21Å; H1892-L2131 HydrophobicContact CB-CD1 3.81Å; H1892-V2139 HydrophobicContact CB-CG1 4.08Å; H1892-F2144 HydrophobicContact CB-CD1 4.05Å; H1892-F2144 HydrophobicContact CB-CD2 4.43Å; H1892-F2144 HydrophobicContact CB-CE1 3.81Å; H1892-F2144 HydrophobicContact CB-CE2 4.22Å; H1892-F2144 HydrophobicContact CB-CG 4.31Å; H1892-F2144 HydrophobicContact CB-CZ 4.1Å
1893Y78.1Confident72.2Confident26 Ų2653.5 Ų53.510%0.10227%0.272CS..  trans-77.999.6175.8-71.62.2000110.4L1887 S1888 Q1890 Q1891 W1895 K1943 L1944 T1945 D1948L1887-Y1893 HydrophobicContact CB-CE2 4.36Å; S1888-Y1893 VanDerWaalsContact O-CD2 3.28Å; S1888-Y1893 WeakPolarHBondContact O-CD2 3.4Å; S1888-Y1893 VanDerWaalsContact O-CE2 3.27Å; S1888-Y1893 WeakPolarHBondContact O-CE2 3.39Å; Q1890-Y1893 HydrophobicContact CB-CD1 3.78Å; Q1890-Y1893 HydrophobicContact CB-CD2 3.89Å; Q1890-Y1893 HydrophobicContact CB-CE1 3.82Å; Q1890-Y1893 HydrophobicContact CB-CE2 3.95Å; Q1890-Y1893 HydrophobicContact CB-CG 3.81Å; Q1890-Y1893 HydrophobicContact CG-CD1 4.3Å; Q1890-Y1893 HydrophobicContact CG-CD2 4.18Å; Q1890-Y1893 HydrophobicContact CG-CE1 3.89Å; Q1890-Y1893 HydrophobicContact CG-CE2 3.71Å; Q1890-Y1893 HydrophobicContact CG-CG 4.38Å; Q1890-Y1893 VanDerWaalsContact CG-CZ 3.45Å; Q1890-Y1893 PolarHBondContact O-N 3.07Å; Q1891-Y1893 VanDerWaalsContact C-N 3.29Å; Q1891-Y1893 PolarHBondContact O-N 2.92Å; Y1893-W1895 HydrophobicContact CD2-CZ2 4.44Å; Y1893-W1895 HydrophobicContact CG-CZ2 4.34Å; Y1893-K1943 HydrophobicContact CD1-CB 4.49Å; Y1893-K1943 HydrophobicContact CD1-CG 4.36Å; Y1893-K1943 HydrophobicContact CE1-CB 4.47Å; Y1893-K1943 HydrophobicContact CE1-CG 4.31Å; Y1893-K1943 WeakPolarHBondContact CE1-O 3.33Å; Y1893-L1944 HydrophobicContact CD1-CD2 4.37Å; Y1893-L1944 HydrophobicContact CE1-CD2 3.78Å; Y1893-L1944 HydrophobicContact CE2-CD2 4.02Å; Y1893-L1944 VanDerWaalsContact CZ-CD2 3.5Å; Y1893-L1944 WeakPolarHBondContact OH-CA 3.28Å; Y1893-T1945 PolarHBondContact OH-N 3.04Å; Y1893-T1945 VanDerWaalsContact OH-N 3.13Å; Y1893-D1948 HydrophobicContact CE2-CB 4.44Å; Y1893-D1948 VanDerWaalsContact CE2-OD2 3.25Å; Y1893-D1948 WeakPolarHBondContact CE2-OD2 3.28Å; Y1893-D1948 VanDerWaalsContact CZ-OD2 3.29Å; Y1893-D1948 WeakPolarHBondContact OH-CB 3.35Å; Y1893-D1948 VanDerWaalsContact OH-CG 3.28Å; Y1893-D1948 PolarHBondContact OH-OD2 3.14Å
1894D74.4Confident74.4Confident39 Ų3947.1 Ų47.121%0.20924%0.244CC..  trans-105.4117.3170.6-177.127.8000111.7H1892 G1896 T1899 K1943 S2140H1892-D1894 VanDerWaalsContact C-N 3.34Å; H1892-D1894 PolarHBondContact O-N 2.89Å; D1894-G1896 WeakPolarHBondContact OD1-CA 3.45Å; D1894-G1896 PolarHBondContact OD1-N 3.05Å; D1894-T1899 PolarHBondContact O-OG1 3.08Å; D1894-T1899 VanDerWaalsContact O-OG1 3.05Å; D1894-T1899 PolarHBondContact OD2-OG1 3.35Å; D1894-K1943 PolarHBondContact O-NZ 3.35Å; D1894-S2140 WeakPolarHBondContact OD2-CA 3.49Å; D1894-S2140 WeakPolarHBondContact OD2-CB 3.38Å
1895W77.2Confident76.3Confident20.4 Ų20.445.9 Ų45.98%0.07723%0.233CC..  trans-113.430.7175.3-51.2113.3000111.1F1864 F1867 R1868 L1887 Y1893 C1940 K1943 L1944 F1952F1864-W1895 HydrophobicContact CD1-CB 4.2Å; F1864-W1895 HydrophobicContact CD1-CE3 4.5Å; F1864-W1895 VanDerWaalsContact CD1-O 3.26Å; F1864-W1895 WeakPolarHBondContact CD1-O 3.32Å; F1864-W1895 HydrophobicContact CD2-CE3 4.47Å; F1864-W1895 HydrophobicContact CE1-CE3 4.39Å; F1864-W1895 HydrophobicContact CE2-CE3 4.4Å; F1864-W1895 HydrophobicContact CZ-CE3 4.49Å; F1867-W1895 HydrophobicContact CB-CD2 3.81Å; F1867-W1895 HydrophobicContact CB-CE3 4.29Å; F1867-W1895 HydrophobicContact CB-CG 4.02Å; F1867-W1895 HydrophobicContact CB-CH2 4.49Å; F1867-W1895 HydrophobicContact CB-CZ2 4.17Å; F1867-W1895 HydrophobicContact CD1-CH2 4.31Å; F1867-W1895 HydrophobicContact CD1-CZ2 4.05Å; F1867-W1895 AromaticContact CD2-CD2 3.92Å; F1867-W1895 HydrophobicContact CD2-CD2 4.07Å; F1867-W1895 AromaticContact CD2-CE3 3.74Å; F1867-W1895 HydrophobicContact CD2-CE3 3.84Å; F1867-W1895 AromaticContact CD2-CH2 3.86Å; F1867-W1895 HydrophobicContact CD2-CH2 4.02Å; F1867-W1895 HydrophobicContact CD2-CZ2 4.35Å; F1867-W1895 AromaticContact CD2-CZ3 3.75Å; F1867-W1895 HydrophobicContact CD2-CZ3 3.75Å; F1867-W1895 HydrophobicContact CE2-CE3 4.35Å; F1867-W1895 HydrophobicContact CE2-CH2 4.32Å; F1867-W1895 AromaticContact CE2-CZ3 3.92Å; F1867-W1895 HydrophobicContact CE2-CZ3 4.17Å; F1867-W1895 HydrophobicContact CG-CD2 4.35Å; F1867-W1895 HydrophobicContact CG-CE3 4.41Å; F1867-W1895 HydrophobicContact CG-CH2 4.3Å; F1867-W1895 AromaticContact CG-CZ2 3.95Å; F1867-W1895 HydrophobicContact CG-CZ2 4.27Å; F1867-W1895 HydrophobicContact CG-CZ3 4.38Å; F1867-W1895 PolarHBondContact O-NE1 2.98Å; R1868-W1895 PolarHBondContact NH2-O 3.14Å; L1887-W1895 HydrophobicContact CD1-CH2 4.23Å; L1887-W1895 HydrophobicContact CD1-CZ2 3.79Å; Y1893-W1895 HydrophobicContact CD2-CZ2 4.44Å; Y1893-W1895 HydrophobicContact CG-CZ2 4.34Å; W1895-C1940 HydrophobicContact CH2-CB 4.27Å; W1895-C1940 HydrophobicContact CZ3-CB 4.21Å; W1895-C1940 VanDerWaalsContact CZ3-SG 3.57Å; W1895-K1943 VanDerWaalsContact CH2-CE 3.47Å; W1895-K1943 VanDerWaalsContact CH2-NZ 3.34Å; W1895-K1943 VanDerWaalsContact CZ3-NZ 3.3Å; W1895-L1944 HydrophobicContact CH2-CD2 4.26Å; W1895-L1944 HydrophobicContact CZ2-CD2 4.23Å; W1895-F1952 HydrophobicContact CH2-CD2 4.24Å; W1895-F1952 HydrophobicContact CH2-CE2 4.33Å; W1895-F1952 HydrophobicContact CZ3-CE2 4.38Å
1896G77.4Confident77.9Confident19.6 Ų19.642.1 Ų42.120%0.20221%0.213CC..SBendtrans-84.2-178.6179.100000114.9D1894 R1898 T1899 L1900D1894-G1896 WeakPolarHBondContact OD1-CA 3.45Å; D1894-G1896 PolarHBondContact OD1-N 3.05Å; G1896-R1898 PolarHBondContact O-N 3.23Å; G1896-R1898 VanDerWaalsContact O-N 3.16Å; G1896-T1899 PolarHBondContact O-N 3.3Å; G1896-T1899 VanDerWaalsContact O-N 3.14Å; G1896-L1900 PolarHBondContact O-N 2.93Å; G1896-L1900 VanDerWaalsContact O-N 3.11Å
1897L78.8Confident79Confident43.6 Ų43.639.5 Ų39.523%0.22820%0.197CC..Hα-helixtrans-58.2-27.4-178.6-90.1161.2000114.2G1707 A1835 D1837 I1840 L1900 K1901G1707-L1897 WeakPolarHBondContact O-CB 3.24Å; G1707-L1897 WeakPolarHBondContact O-CD1 3.41Å; G1707-L1897 WeakPolarHBondContact O-CD2 3.24Å; A1835-L1897 HydrophobicContact CB-CD1 3.33Å; A1835-L1897 HydrophobicContact CB-CD2 4.39Å; A1835-L1897 HydrophobicContact CB-CG 4.18Å; D1837-L1897 HydrophobicContact CB-CD2 4.45Å; D1837-L1897 WeakPolarHBondContact OD1-CD1 3.35Å; D1837-L1897 WeakPolarHBondContact OD1-CD2 3.3Å; D1837-L1897 WeakPolarHBondContact OD1-CG 3.31Å; I1840-L1897 HydrophobicContact CB-CD1 4.37Å; I1840-L1897 HydrophobicContact CB-CD2 4.35Å; I1840-L1897 HydrophobicContact CD1-CD1 4.1Å; I1840-L1897 HydrophobicContact CD1-CD2 3.91Å; I1840-L1897 HydrophobicContact CG2-CD1 4.05Å; I1840-L1897 HydrophobicContact CG2-CD2 4.19Å; L1897-L1900 HydrophobicContact CD1-CD2 3.95Å; L1897-L1900 HydrophobicContact CD2-CD2 3.94Å; L1897-L1900 WeakPolarHBondContact O-CB 3.46Å; L1897-L1900 PolarHBondContact O-N 3.15Å; L1897-K1901 WeakPolarHBondContact O-CB 3.25Å; L1897-K1901 PolarHBondContact O-N 3.11Å
1898R80.1Confident79.6Confident70.8 Ų70.838.8 Ų38.827%0.26719%0.193SC..Hα-helixtrans-68.4-46177.4-72.9-176.4175-172.8-3.8111.8G1896 L1900 K1901 S1902 D2103 A2137 S2140G1896-R1898 PolarHBondContact O-N 3.23Å; G1896-R1898 VanDerWaalsContact O-N 3.16Å; R1898-L1900 VanDerWaalsContact C-N 3.3Å; R1898-L1900 PolarHBondContact O-N 3.33Å; R1898-K1901 PolarHBondContact O-N 3.09Å; R1898-S1902 WeakPolarHBondContact O-CB 3.29Å; R1898-S1902 PolarHBondContact O-N 3.15Å; R1898-S1902 PolarHBondContact O-OG 2.83Å; R1898-D2103 IonicContact CZ-OD1 2.95Å; R1898-D2103 VanDerWaalsContact CZ-OD1 3.28Å; R1898-D2103 IonicContact NE-OD1 3.11Å; R1898-D2103 IonicContact NH1-OD1 3.35Å; R1898-D2103 PolarHBondContact NH1-OD1 3.37Å; R1898-D2103 IonicContact NH2-OD1 2.93Å; R1898-D2103 PolarHBondContact NH2-OD1 3.41Å; R1898-D2103 IonicContact NH2-OD2 3.74Å; R1898-A2137 PolarHBondContact NH1-O 3.45Å; R1898-S2140 PolarHBondContact NH1-OG 3.1Å
1899T81.3Confident80Confident5 Ų541.7 Ų41.73%0.03120%0.202CC..Hα-helixtrans-61.9-41.9173.8-55.80000110.2F1864 D1894 G1896 K1901 S1902 V1903F1864-T1899 HydrophobicContact CE1-CG2 4.05Å; F1864-T1899 HydrophobicContact CZ-CG2 3.99Å; D1894-T1899 PolarHBondContact O-OG1 3.08Å; D1894-T1899 VanDerWaalsContact O-OG1 3.05Å; D1894-T1899 PolarHBondContact OD2-OG1 3.35Å; G1896-T1899 PolarHBondContact O-N 3.3Å; G1896-T1899 VanDerWaalsContact O-N 3.14Å; T1899-K1901 PolarHBondContact O-N 3Å; T1899-S1902 WeakPolarHBondContact O-CB 3.21Å; T1899-S1902 PolarHBondContact O-N 3.31Å; T1899-V1903 HydrophobicContact CG2-CG2 4.43Å; T1899-V1903 VanDerWaalsContact O-CG2 3.3Å; T1899-V1903 WeakPolarHBondContact O-CG2 3.37Å; T1899-V1903 PolarHBondContact O-N 3.14Å
1900L85Confident80.4Confident3.4 Ų3.434.3 Ų34.32%0.01817%0.17CC..Hα-helixtrans-59.2-49176.1-174.767.6000112.2D1837 I1840 A1841 L1860 V1861 F1864 G1896 L1897 R1898 S1902 V1903 T1904D1837-L1900 HydrophobicContact CB-CD2 4.31Å; I1840-L1900 HydrophobicContact CG2-CD2 4.44Å; A1841-L1900 HydrophobicContact CB-CD1 4.28Å; A1841-L1900 HydrophobicContact CB-CD2 4.19Å; L1860-L1900 HydrophobicContact CD1-CD1 4.33Å; L1860-L1900 HydrophobicContact CD2-CD1 3.46Å; L1860-L1900 VanDerWaalsContact CD2-CD1 3.48Å; L1860-L1900 HydrophobicContact CG-CD1 3.88Å; V1861-L1900 HydrophobicContact CG2-CD1 4.48Å; F1864-L1900 HydrophobicContact CD1-CB 4.4Å; F1864-L1900 HydrophobicContact CD1-CD1 4.37Å; F1864-L1900 HydrophobicContact CD2-CD1 4.48Å; F1864-L1900 HydrophobicContact CE1-CB 4.08Å; F1864-L1900 HydrophobicContact CE1-CD1 4.18Å; F1864-L1900 HydrophobicContact CE2-CD1 4.2Å; F1864-L1900 HydrophobicContact CZ-CB 4.45Å; F1864-L1900 HydrophobicContact CZ-CD1 4.29Å; G1896-L1900 PolarHBondContact O-N 2.93Å; G1896-L1900 VanDerWaalsContact O-N 3.11Å; L1897-L1900 HydrophobicContact CD1-CD2 3.95Å; L1897-L1900 HydrophobicContact CD2-CD2 3.94Å; L1897-L1900 WeakPolarHBondContact O-CB 3.46Å; L1897-L1900 PolarHBondContact O-N 3.15Å; R1898-L1900 VanDerWaalsContact C-N 3.3Å; R1898-L1900 PolarHBondContact O-N 3.33Å; L1900-S1902 VanDerWaalsContact C-N 3.32Å; L1900-S1902 PolarHBondContact O-N 3.11Å; L1900-V1903 PolarHBondContact O-N 3.2Å; L1900-V1903 VanDerWaalsContact O-N 3.15Å; L1900-T1904 HydrophobicContact CD1-CG2 4.4Å; L1900-T1904 WeakPolarHBondContact O-CG2 3.34Å; L1900-T1904 PolarHBondContact O-N 3.34Å; L1900-T1904 PolarHBondContact O-OG1 3.06Å
1901K83Confident80.7Confident81 Ų8132 Ų3235%0.35216%0.159SC..Hα-helixtrans-60.1-41.6176.1-173.1-173.1175.9-166.50111.8L1844 L1897 R1898 T1899 V1903 T1904 T1905 D2104L1844-K1901 HydrophobicContact CD1-CB 4.45Å; L1897-K1901 WeakPolarHBondContact O-CB 3.25Å; L1897-K1901 PolarHBondContact O-N 3.11Å; R1898-K1901 PolarHBondContact O-N 3.09Å; T1899-K1901 PolarHBondContact O-N 3Å; K1901-V1903 PolarHBondContact O-N 3.21Å; K1901-T1904 WeakPolarHBondContact CA-OG1 3.34Å; K1901-T1904 PolarHBondContact O-N 2.95Å; K1901-T1904 PolarHBondContact O-OG1 3.2Å; K1901-T1904 VanDerWaalsContact O-OG1 3.04Å; K1901-T1905 VanDerWaalsContact O-CB 3.29Å; K1901-T1905 WeakPolarHBondContact O-CB 3.34Å; K1901-T1905 PolarHBondContact O-N 3.16Å; K1901-T1905 PolarHBondContact O-OG1 3.01Å; K1901-D2104 IonicContact NZ-OD2 3.42Å; K1901-D2104 PolarHBondContact NZ-OD2 2.98Å; K1901-D2104 VanDerWaalsContact NZ-OD2 3.08Å
1902S82.7Confident80.7Confident26 Ų2632.2 Ų32.218%0.18216%0.156CC..Hα-helixtrans-63.2-44.4177.5-157.90000111.7R1898 T1899 L1900 T1905 N1906 N1939 R2006R1898-S1902 WeakPolarHBondContact O-CB 3.29Å; R1898-S1902 PolarHBondContact O-N 3.15Å; R1898-S1902 PolarHBondContact O-OG 2.83Å; T1899-S1902 WeakPolarHBondContact O-CB 3.21Å; T1899-S1902 PolarHBondContact O-N 3.31Å; L1900-S1902 VanDerWaalsContact C-N 3.32Å; L1900-S1902 PolarHBondContact O-N 3.11Å; S1902-T1905 PolarHBondContact O-N 3.11Å; S1902-N1906 VanDerWaalsContact O-CB 3.31Å; S1902-N1906 WeakPolarHBondContact O-CB 3.35Å; S1902-N1906 VanDerWaalsContact O-CG 3.24Å; S1902-N1906 PolarHBondContact O-N 3.07Å; S1902-N1906 VanDerWaalsContact O-N 3.07Å; S1902-N1906 PolarHBondContact O-ND2 3.23Å; S1902-N1906 PolarHBondContact O-OD1 3.21Å; S1902-N1939 VanDerWaalsContact CB-OD1 3.28Å; S1902-N1939 WeakPolarHBondContact CB-OD1 3.32Å; S1902-N1939 PolarHBondContact OG-OD1 3.14Å; S1902-N1939 VanDerWaalsContact OG-OD1 3.09Å; S1902-R2006 PolarHBondContact OG-NH2 3.12Å
1903V86.8Confident80.6Confident0.4 Ų0.436 Ų360%0.00218%0.18CC..Hα-helixtrans-63.1-47.4176.4171.50000111.2L1860 F1864 T1899 L1900 K1901 T1905 N1906 A1907 A1935 L1936 N1939L1860-V1903 HydrophobicContact CD1-CG1 4.22Å; F1864-V1903 HydrophobicContact CZ-CG2 4.4Å; T1899-V1903 HydrophobicContact CG2-CG2 4.43Å; T1899-V1903 VanDerWaalsContact O-CG2 3.3Å; T1899-V1903 WeakPolarHBondContact O-CG2 3.37Å; T1899-V1903 PolarHBondContact O-N 3.14Å; L1900-V1903 PolarHBondContact O-N 3.2Å; L1900-V1903 VanDerWaalsContact O-N 3.15Å; K1901-V1903 PolarHBondContact O-N 3.21Å; V1903-T1905 VanDerWaalsContact C-N 3.34Å; V1903-T1905 PolarHBondContact O-N 3.12Å; V1903-N1906 PolarHBondContact O-N 3.06Å; V1903-A1907 VanDerWaalsContact O-CB 3.27Å; V1903-A1907 WeakPolarHBondContact O-CB 3.44Å; V1903-A1907 PolarHBondContact O-N 3.04Å; V1903-A1935 HydrophobicContact CG1-CB 4.13Å; V1903-A1935 WeakPolarHBondContact O-CB 3.33Å; V1903-L1936 HydrophobicContact CB-CD2 4.43Å; V1903-L1936 HydrophobicContact CG1-CD2 3.85Å; V1903-L1936 HydrophobicContact CG1-CG 3.93Å; V1903-L1936 HydrophobicContact CG2-CD2 4.02Å; V1903-N1939 HydrophobicContact CG2-CB 3.91Å
1904T86.4Confident80.2Confident1.4 Ų1.437.5 Ų37.51%0.00919%0.189CC..Hα-helixtrans-64.8-40179.553.60000112.2L1844 L1845 L1860 L1900 K1901 N1906 A1907 G1908L1844-T1904 HydrophobicContact CB-CG2 4.27Å; L1845-T1904 HydrophobicContact CD2-CG2 4.03Å; L1845-T1904 HydrophobicContact CG-CG2 4.09Å; L1860-T1904 HydrophobicContact CD2-CG2 4.19Å; L1900-T1904 HydrophobicContact CD1-CG2 4.4Å; L1900-T1904 WeakPolarHBondContact O-CG2 3.34Å; L1900-T1904 PolarHBondContact O-N 3.34Å; L1900-T1904 PolarHBondContact O-OG1 3.06Å; K1901-T1904 WeakPolarHBondContact CA-OG1 3.34Å; K1901-T1904 PolarHBondContact O-N 2.95Å; K1901-T1904 PolarHBondContact O-OG1 3.2Å; K1901-T1904 VanDerWaalsContact O-OG1 3.04Å; T1904-N1906 PolarHBondContact O-N 2.9Å; T1904-A1907 PolarHBondContact O-N 3.13Å; T1904-G1908 PolarHBondContact O-N 3.33Å
1905T83.8Confident79.4Confident60.8 Ų60.842.5 Ų42.537%0.37321%0.209SC..Hα-helixtrans-65.6-43.2177-57.30000111.6K1901 S1902 V1903 G1908 H1909K1901-T1905 VanDerWaalsContact O-CB 3.29Å; K1901-T1905 WeakPolarHBondContact O-CB 3.34Å; K1901-T1905 PolarHBondContact O-N 3.16Å; K1901-T1905 PolarHBondContact O-OG1 3.01Å; S1902-T1905 PolarHBondContact O-N 3.11Å; V1903-T1905 VanDerWaalsContact C-N 3.34Å; V1903-T1905 PolarHBondContact O-N 3.12Å; T1905-G1908 PolarHBondContact O-N 3.27Å; T1905-H1909 PolarHBondContact O-N 3.24Å
1906N83.8Confident78.3Confident28.8 Ų28.847.5 Ų47.515%0.15424%0.236CC..Hα-helixtrans-66.9-40.2176.4-72.2-18.2000111.6S1902 V1903 T1904 G1908 H1909 F1910 A1935 M1938 N1939 Q2005S1902-N1906 VanDerWaalsContact O-CB 3.31Å; S1902-N1906 WeakPolarHBondContact O-CB 3.35Å; S1902-N1906 VanDerWaalsContact O-CG 3.24Å; S1902-N1906 PolarHBondContact O-N 3.07Å; S1902-N1906 VanDerWaalsContact O-N 3.07Å; S1902-N1906 PolarHBondContact O-ND2 3.23Å; S1902-N1906 PolarHBondContact O-OD1 3.21Å; V1903-N1906 PolarHBondContact O-N 3.06Å; T1904-N1906 PolarHBondContact O-N 2.9Å; N1906-G1908 VanDerWaalsContact C-N 3.32Å; N1906-G1908 PolarHBondContact O-N 3.14Å; N1906-H1909 WeakPolarHBondContact O-CB 3.3Å; N1906-H1909 PolarHBondContact O-N 3.06Å; N1906-H1909 VanDerWaalsContact O-N 3.15Å; N1906-F1910 HydrophobicContact CB-CE2 4.28Å; N1906-F1910 VanDerWaalsContact O-CD2 3.28Å; N1906-F1910 WeakPolarHBondContact O-CD2 3.34Å; N1906-F1910 WeakPolarHBondContact O-CG 3.39Å; N1906-F1910 PolarHBondContact O-N 3.14Å; N1906-A1935 HydrophobicContact CB-CB 4.16Å; N1906-M1938 HydrophobicContact CB-CE 3.63Å; N1906-M1938 VanDerWaalsContact ND2-CE 3.3Å; N1906-M1938 WeakPolarHBondContact ND2-CE 3.37Å; N1906-N1939 PolarHBondContact ND2-ND2 3.43Å; N1906-N1939 PolarHBondContact ND2-OD1 3.19Å; N1906-N1939 VanDerWaalsContact ND2-OD1 3.15Å; N1906-Q2005 PolarHBondContact ND2-OE1 3.02Å
1907A85.2Confident77.2Confident0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-60.2-42.4173.200000111.2F1850 V1903 T1904 H1909 F1910 H1911 I1931 V1932 A1935F1850-A1907 HydrophobicContact CE2-CB 4.29Å; F1850-A1907 HydrophobicContact CZ-CB 3.9Å; V1903-A1907 VanDerWaalsContact O-CB 3.27Å; V1903-A1907 WeakPolarHBondContact O-CB 3.44Å; V1903-A1907 PolarHBondContact O-N 3.04Å; T1904-A1907 PolarHBondContact O-N 3.13Å; A1907-H1909 VanDerWaalsContact C-N 3.34Å; A1907-H1909 PolarHBondContact O-N 3.21Å; A1907-F1910 PolarHBondContact O-N 3.06Å; A1907-H1911 VanDerWaalsContact O-CB 3.25Å; A1907-H1911 WeakPolarHBondContact O-CB 3.39Å; A1907-H1911 PolarHBondContact O-N 3.01Å; A1907-I1931 HydrophobicContact CB-CG2 4.23Å; A1907-I1931 VanDerWaalsContact O-CG2 3.29Å; A1907-I1931 WeakPolarHBondContact O-CG2 3.43Å; A1907-V1932 HydrophobicContact CB-CG2 4.14Å; A1907-A1935 HydrophobicContact CB-CB 3.86Å
1908G82.9Confident76Confident0 Ų054.4 Ų54.40%027%0.268CS..Hα-helixtrans-64.8-34.2173.700000113.8E1848 T1904 T1905 N1906 R1912E1848-G1908 WeakPolarHBondContact OE2-CA 3.36Å; T1904-G1908 PolarHBondContact O-N 3.33Å; T1905-G1908 PolarHBondContact O-N 3.27Å; N1906-G1908 VanDerWaalsContact C-N 3.32Å; N1906-G1908 PolarHBondContact O-N 3.14Å; G1908-R1912 WeakPolarHBondContact O-CG 3.28Å; G1908-R1912 PolarHBondContact O-N 3.01Å; G1908-R1912 PolarHBondContact O-NE 3.08Å
1909H80.6Confident74.9Confident101.4 Ų101.453.8 Ų53.847%0.46928%0.278SS..Hα-helixtrans-65.7-49.8171.4-177.245.4000111.6T1905 N1906 A1907 H1911 R1912 T1913T1905-H1909 PolarHBondContact O-N 3.24Å; N1906-H1909 WeakPolarHBondContact O-CB 3.3Å; N1906-H1909 PolarHBondContact O-N 3.06Å; N1906-H1909 VanDerWaalsContact O-N 3.15Å; A1907-H1909 VanDerWaalsContact C-N 3.34Å; A1907-H1909 PolarHBondContact O-N 3.21Å; H1909-H1911 VanDerWaalsContact C-N 3.32Å; H1909-H1911 PolarHBondContact O-N 3.18Å; H1909-R1912 WeakPolarHBondContact O-CB 3.22Å; H1909-R1912 PolarHBondContact O-N 3.19Å; H1909-T1913 PolarHBondContact CE1-OG1 3Å; H1909-T1913 PolarHBondContact O-N 3.1Å; H1909-T1913 VanDerWaalsContact O-N 3.08Å; H1909-T1913 PolarHBondContact O-OG1 3.05Å
1910F80.2Confident73.6Confident25.4 Ų25.460.2 Ų60.211%0.11132%0.32CS..Hα-helixtrans-63.1-39.1178.2-66.8-34.4000113.1N1906 A1907 R1912 T1913 M1914 I1931 M1934 A1935 M1938 I1968N1906-F1910 HydrophobicContact CB-CE2 4.28Å; N1906-F1910 VanDerWaalsContact O-CD2 3.28Å; N1906-F1910 WeakPolarHBondContact O-CD2 3.34Å; N1906-F1910 WeakPolarHBondContact O-CG 3.39Å; N1906-F1910 PolarHBondContact O-N 3.14Å; A1907-F1910 PolarHBondContact O-N 3.06Å; F1910-R1912 VanDerWaalsContact C-N 3.25Å; F1910-R1912 PolarHBondContact O-N 3.24Å; F1910-T1913 PolarHBondContact O-N 3.23Å; F1910-M1914 WeakPolarHBondContact O-CB 3.35Å; F1910-M1914 PolarHBondContact O-N 3.08Å; F1910-I1931 HydrophobicContact CB-CG2 3.73Å; F1910-M1934 HydrophobicContact CB-SD 4.49Å; F1910-M1934 HydrophobicContact CD1-CE 4.06Å; F1910-M1934 HydrophobicContact CD1-SD 4.45Å; F1910-M1934 HydrophobicContact CD2-CB 4.44Å; F1910-M1934 HydrophobicContact CD2-CE 4.26Å; F1910-M1934 HydrophobicContact CD2-CG 4.14Å; F1910-M1934 HydrophobicContact CD2-SD 4.07Å; F1910-M1934 HydrophobicContact CE1-CE 3.93Å; F1910-M1934 HydrophobicContact CE2-CE 4.19Å; F1910-M1934 HydrophobicContact CE2-CG 3.99Å; F1910-M1934 HydrophobicContact CE2-SD 4.31Å; F1910-M1934 HydrophobicContact CG-CE 4.27Å; F1910-M1934 HydrophobicContact CG-SD 4.21Å; F1910-M1934 HydrophobicContact CZ-CE 3.99Å; F1910-M1934 HydrophobicContact CZ-CG 4.42Å; F1910-A1935 HydrophobicContact CD2-CB 4.18Å; F1910-A1935 HydrophobicContact CE2-CB 4.25Å; F1910-M1938 HydrophobicContact CE1-SD 4.47Å; F1910-M1938 HydrophobicContact CE2-CE 3.94Å; F1910-M1938 HydrophobicContact CE2-CG 4.36Å; F1910-M1938 HydrophobicContact CE2-SD 4.15Å; F1910-M1938 HydrophobicContact CZ-CE 3.76Å; F1910-M1938 HydrophobicContact CZ-CG 4.29Å; F1910-M1938 HydrophobicContact CZ-SD 3.51Å; F1910-M1938 VanDerWaalsContact CZ-SD 3.53Å; F1910-M1938 WeakPolarHBondContact CZ-SD 3.37Å; F1910-I1968 HydrophobicContact CE1-CD1 4.34Å; F1910-I1968 HydrophobicContact CZ-CD1 4.13Å
1911H79.6Confident72.1Confident23.2 Ų23.264.8 Ų64.811%0.10736%0.358CS..Hα-helixtrans-59.6-31.8175.9-172.986.7000112.6G1849 F1850 A1907 H1909 M1914 K1915 I1931G1849-H1911 PolarHBondContact O-CE1 3.47Å; F1850-H1911 HydrophobicContact CE2-CB 4.25Å; F1850-H1911 HydrophobicContact CZ-CB 4.11Å; A1907-H1911 VanDerWaalsContact O-CB 3.25Å; A1907-H1911 WeakPolarHBondContact O-CB 3.39Å; A1907-H1911 PolarHBondContact O-N 3.01Å; H1909-H1911 VanDerWaalsContact C-N 3.32Å; H1909-H1911 PolarHBondContact O-N 3.18Å; H1911-M1914 VanDerWaalsContact O-O 3.09Å; H1911-K1915 WeakPolarHBondContact NE2-CE 3.46Å; H1911-K1915 PolarHBondContact NE2-NZ 3.33Å; H1911-K1915 VanDerWaalsContact NE2-NZ 3.11Å; H1911-K1915 WeakPolarHBondContact O-CD 3.45Å; H1911-K1915 VanDerWaalsContact O-CG 3.28Å; H1911-K1915 WeakPolarHBondContact O-CG 3.37Å; H1911-I1931 HydrophobicContact CB-CD1 4.21Å; H1911-I1931 HydrophobicContact CB-CG2 4.35Å; H1911-I1931 WeakPolarHBondContact ND1-CD1 3.28Å
1912R73.6Confident71.1Confident91.6 Ų91.665.1 Ų65.135%0.34636%0.361SS..Hα-helixtrans-80-43.8175.5-70.9175.7-88.4160.71.2112.6Q1608 E1848 G1908 H1909 F1910 M1914Q1608-R1912 VanDerWaalsContact CD-NH1 3.29Å; E1848-R1912 IonicContact OE2-CZ 3.11Å; E1848-R1912 IonicContact OE2-NH2 2.96Å; E1848-R1912 PolarHBondContact OE2-NH2 2.86Å; G1908-R1912 WeakPolarHBondContact O-CG 3.28Å; G1908-R1912 PolarHBondContact O-N 3.01Å; G1908-R1912 PolarHBondContact O-NE 3.08Å; H1909-R1912 WeakPolarHBondContact O-CB 3.22Å; H1909-R1912 PolarHBondContact O-N 3.19Å; F1910-R1912 VanDerWaalsContact C-N 3.25Å; F1910-R1912 PolarHBondContact O-N 3.24Å; R1912-M1914 VanDerWaalsContact C-N 3.34Å
1913T72.8Confident70.5Confident89 Ų8966.4 Ų66.455%0.54637%0.37SS..Hα-helixtrans-67.4-42.5-178.8-54.10000111.5H1909 F1910 K1915H1909-T1913 PolarHBondContact CE1-OG1 3Å; H1909-T1913 PolarHBondContact O-N 3.1Å; H1909-T1913 VanDerWaalsContact O-N 3.08Å; H1909-T1913 PolarHBondContact O-OG1 3.05Å; F1910-T1913 PolarHBondContact O-N 3.23Å; T1913-K1915 VanDerWaalsContact C-N 3.29Å; T1913-K1915 PolarHBondContact O-N 3.21Å; T1913-K1915 VanDerWaalsContact O-N 3.08Å
1914M68.3Low69.9Low57.4 Ų57.469.6 Ų69.628%0.28339%0.39SS..SBendtrans-81.149.4175.6-68.7-162.4163.900111.5F1910 H1911 R1912 L1916 N1917 I1918 I1931 M1934F1910-M1914 WeakPolarHBondContact O-CB 3.35Å; F1910-M1914 PolarHBondContact O-N 3.08Å; H1911-M1914 VanDerWaalsContact O-O 3.09Å; R1912-M1914 VanDerWaalsContact C-N 3.34Å; M1914-L1916 PolarHBondContact O-N 3.38Å; M1914-N1917 PolarHBondContact O-N 3.31Å; M1914-I1918 HydrophobicContact CB-CD1 3.76Å; M1914-I1918 HydrophobicContact CB-CG1 4.28Å; M1914-I1918 WeakPolarHBondContact O-CD1 3.29Å; M1914-I1918 VanDerWaalsContact O-CG1 3.31Å; M1914-I1918 WeakPolarHBondContact O-CG1 3.43Å; M1914-I1918 PolarHBondContact O-N 2.94Å; M1914-I1918 HydrophobicContact SD-CD1 4.19Å; M1914-I1931 HydrophobicContact SD-CG1 4.35Å; M1914-M1934 HydrophobicContact CE-CE 3.85Å; M1914-M1934 HydrophobicContact CE-SD 4.03Å; M1914-M1934 HydrophobicContact SD-SD 4.3Å
1915K58.8Low69.4Low143 Ų14373 Ų7362%0.62241%0.405SS*.  trans-47.7132.8170-85-177.1176.6178.20111.3Q1601 H1911 T1913 N1917 K1927Q1601-K1915 VanDerWaalsContact NE2-CD 3.3Å; Q1601-K1915 VanDerWaalsContact NE2-NZ 3.16Å; H1911-K1915 WeakPolarHBondContact NE2-CE 3.46Å; H1911-K1915 PolarHBondContact NE2-NZ 3.33Å; H1911-K1915 VanDerWaalsContact NE2-NZ 3.11Å; H1911-K1915 WeakPolarHBondContact O-CD 3.45Å; H1911-K1915 VanDerWaalsContact O-CG 3.28Å; H1911-K1915 WeakPolarHBondContact O-CG 3.37Å; T1913-K1915 VanDerWaalsContact C-N 3.29Å; T1913-K1915 PolarHBondContact O-N 3.21Å; T1913-K1915 VanDerWaalsContact O-N 3.08Å; K1915-N1917 PolarHBondContact O-N 2.94Å; K1915-K1927 PolarHBondContact O-NZ 3.03Å; K1915-K1927 VanDerWaalsContact O-NZ 3.08Å
1916L52.8Low69.1Low126.2 Ų126.273.5 Ų73.566%0.66140%0.403SS*.THydrogen-bonded Turntrans-72.621.1176.6-70.5168.7000113.8M1914 I1918 K1927M1914-L1916 PolarHBondContact O-N 3.38Å; L1916-I1918 HydrophobicContact CB-CG1 4.44Å; L1916-I1918 HydrophobicContact CD2-CD1 4.34Å; L1916-I1918 HydrophobicContact CD2-CG1 4.36Å; L1916-I1918 PolarHBondContact O-N 3.23Å; L1916-K1927 HydrophobicContact CD2-CD 4.49Å
1917N55.4Low68.8Low140 Ų14073.6 Ų73.675%0.74940%0.402SS*.  trans-88.854.1169.9-71.1-5.1000110.1M1914 K1915 K1927M1914-N1917 PolarHBondContact O-N 3.31Å; K1915-N1917 PolarHBondContact O-N 2.94Å; N1917-K1927 PolarHBondContact O-NZ 3.09Å
1918I52.7Low68.7Low66.6 Ų66.673.8 Ų73.834%0.34240%0.403SS..  trans-87.7122.8175.9-62.6166.7000107.7M1914 L1916 Q1922 V1924 K1927M1914-I1918 HydrophobicContact CB-CD1 3.76Å; M1914-I1918 HydrophobicContact CB-CG1 4.28Å; M1914-I1918 WeakPolarHBondContact O-CD1 3.29Å; M1914-I1918 VanDerWaalsContact O-CG1 3.31Å; M1914-I1918 WeakPolarHBondContact O-CG1 3.43Å; M1914-I1918 PolarHBondContact O-N 2.94Å; M1914-I1918 HydrophobicContact SD-CD1 4.19Å; L1916-I1918 HydrophobicContact CB-CG1 4.44Å; L1916-I1918 HydrophobicContact CD2-CD1 4.34Å; L1916-I1918 HydrophobicContact CD2-CG1 4.36Å; L1916-I1918 PolarHBondContact O-N 3.23Å; I1918-Q1922 WeakPolarHBondContact CG2-O 3.32Å; I1918-V1924 HydrophobicContact CD1-CG2 4.1Å; I1918-K1927 HydrophobicContact CG1-CD 4.26Å; I1918-K1927 HydrophobicContact CG2-CD 4.07Å
1919A57Low68.7Low59.2 Ų59.274.1 Ų74.149%0.48941%0.406SS..  trans-56.9141.7171.200000110.1A1921 Q1922 K1927A1919-A1921 PolarHBondContact O-N 3.17Å; A1919-A1921 VanDerWaalsContact O-N 3.11Å; A1919-Q1922 HydrophobicContact CB-CB 4.41Å; A1919-Q1922 PolarHBondContact O-N 3.17Å; A1919-K1927 PolarHBondContact O-NZ 3.46Å; A1919-K1927 VanDerWaalsContact O-NZ 3.12Å
1920P53.8Low68.9Low140.4 Ų140.469.8 Ų69.891%0.91239%0.387SS*.THydrogen-bonded Turntrans-64.7-4.4-169.322.2-32.3000115.8
1921A54.7Low69Low98.2 Ų98.268.7 Ų68.781%0.81238%0.382SS*.THydrogen-bonded Turntrans-102.6-2.5-175.300000116A1919A1919-A1921 PolarHBondContact O-N 3.17Å; A1919-A1921 VanDerWaalsContact O-N 3.11Å
1922Q62.1Low69.3Low88.8 Ų88.867.6 Ų67.642%0.41538%0.378SS..  trans-103.3138.2-176.8-109.6176.2-2.700111.7I1918 A1919 E1926 K1927I1918-Q1922 WeakPolarHBondContact CG2-O 3.32Å; A1919-Q1922 HydrophobicContact CB-CB 4.41Å; A1919-Q1922 PolarHBondContact O-N 3.17Å; Q1922-E1926 HydrophobicContact CG-CB 3.86Å; Q1922-K1927 HydrophobicContact CB-CD 4.34Å; Q1922-K1927 HydrophobicContact CB-CG 4.02Å; Q1922-K1927 HydrophobicContact CG-CB 4.49Å; Q1922-K1927 VanDerWaalsContact O-CE 3.27Å; Q1922-K1927 WeakPolarHBondContact O-CE 3.34Å
1923S69.3Low69.8Low53.2 Ų53.263.6 Ų63.637%0.37236%0.363SS..  trans-67.9155.3174.568.30000111.5E1925 E1926 K1927S1923-E1925 VanDerWaalsContact C-N 3.3Å; S1923-E1925 PolarHBondContact O-N 3.08Å; S1923-E1926 WeakPolarHBondContact CB-OE2 3.3Å; S1923-E1926 PolarHBondContact N-OE2 3.03Å; S1923-E1926 VanDerWaalsContact N-OE2 3.15Å; S1923-E1926 PolarHBondContact O-N 3.18Å; S1923-E1926 WeakPolarHBondContact OG-CB 3.32Å; S1923-E1926 WeakPolarHBondContact OG-CG 3.38Å; S1923-E1926 PolarHBondContact OG-N 3.29Å; S1923-E1926 PolarHBondContact OG-OE1 3.45Å; S1923-E1926 PolarHBondContact OG-OE2 3.07Å; S1923-K1927 WeakPolarHBondContact O-CG 3.34Å; S1923-K1927 PolarHBondContact O-N 3.27Å; S1923-K1927 VanDerWaalsContact O-N 3.15Å
1924V74.9Confident70.2Confident67.6 Ų67.660 Ų6041%0.4134%0.34SS..Hα-helixtrans-62-38.7178.7179.90000111T1851 I1918 K1927 E1928T1851-V1924 WeakPolarHBondContact OG1-CG1 3.45Å; I1918-V1924 HydrophobicContact CD1-CG2 4.1Å; V1924-K1927 PolarHBondContact O-N 3.17Å; V1924-E1928 HydrophobicContact CG1-CG 4.4Å; V1924-E1928 WeakPolarHBondContact O-CB 3.39Å; V1924-E1928 WeakPolarHBondContact O-CG 3.33Å; V1924-E1928 PolarHBondContact O-N 3.02Å
1925E76.4Confident70.9Confident72.6 Ų72.657.3 Ų57.334%0.33933%0.326SS..Hα-helixtrans-62.3-45.4176.9-158-174.9165.700112H1852 K1859 S1923 K1927 E1928 A1929H1852-E1925 HydrophobicContact CB-CG 4.3Å; H1852-E1925 IonicContact CD2-OE1 3.46Å; H1852-E1925 PolarHBondContact CD2-OE1 3.35Å; H1852-E1925 IonicContact CG-OE1 3.82Å; H1852-E1925 IonicContact NE2-OE1 2.82Å; H1852-E1925 PolarHBondContact NE2-OE1 2.87Å; K1859-E1925 IonicContact NZ-OE1 3.36Å; K1859-E1925 PolarHBondContact NZ-OE1 3.12Å; K1859-E1925 VanDerWaalsContact NZ-OE1 3.11Å; S1923-E1925 VanDerWaalsContact C-N 3.3Å; S1923-E1925 PolarHBondContact O-N 3.08Å; E1925-K1927 VanDerWaalsContact C-N 3.32Å; E1925-K1927 PolarHBondContact O-N 3.22Å; E1925-E1928 PolarHBondContact O-N 3.16Å; E1925-A1929 VanDerWaalsContact O-CB 3.26Å; E1925-A1929 WeakPolarHBondContact O-CB 3.35Å; E1925-A1929 PolarHBondContact O-N 3.06Å
1926E77.2Confident72.2Confident71.4 Ų71.450.5 Ų50.533%0.33430%0.297SS..Hα-helixtrans-63.3-38.2178.8-74.7162.2166.500112Q1922 S1923 S1930 V1963Q1922-E1926 HydrophobicContact CG-CB 3.86Å; S1923-E1926 WeakPolarHBondContact CB-OE2 3.3Å; S1923-E1926 PolarHBondContact N-OE2 3.03Å; S1923-E1926 VanDerWaalsContact N-OE2 3.15Å; S1923-E1926 PolarHBondContact O-N 3.18Å; S1923-E1926 WeakPolarHBondContact OG-CB 3.32Å; S1923-E1926 WeakPolarHBondContact OG-CG 3.38Å; S1923-E1926 PolarHBondContact OG-N 3.29Å; S1923-E1926 PolarHBondContact OG-OE1 3.45Å; S1923-E1926 PolarHBondContact OG-OE2 3.07Å; E1926-S1930 WeakPolarHBondContact O-CB 3.38Å; E1926-S1930 PolarHBondContact O-N 3.28Å; E1926-V1963 WeakPolarHBondContact O-CG1 3.32Å
1927K77.1Confident73.7Confident30 Ų3047.1 Ų47.113%0.1328%0.275CS..Hα-helixtrans-67.5-46.9175.9-136.9175.6177.5177.70111.3K1915 L1916 N1917 I1918 A1919 Q1922 S1923 V1924 E1925 A1929 S1930 I1931K1915-K1927 PolarHBondContact O-NZ 3.03Å; K1915-K1927 VanDerWaalsContact O-NZ 3.08Å; L1916-K1927 HydrophobicContact CD2-CD 4.49Å; N1917-K1927 PolarHBondContact O-NZ 3.09Å; I1918-K1927 HydrophobicContact CG1-CD 4.26Å; I1918-K1927 HydrophobicContact CG2-CD 4.07Å; A1919-K1927 PolarHBondContact O-NZ 3.46Å; A1919-K1927 VanDerWaalsContact O-NZ 3.12Å; Q1922-K1927 HydrophobicContact CB-CD 4.34Å; Q1922-K1927 HydrophobicContact CB-CG 4.02Å; Q1922-K1927 HydrophobicContact CG-CB 4.49Å; Q1922-K1927 VanDerWaalsContact O-CE 3.27Å; Q1922-K1927 WeakPolarHBondContact O-CE 3.34Å; S1923-K1927 WeakPolarHBondContact O-CG 3.34Å; S1923-K1927 PolarHBondContact O-N 3.27Å; S1923-K1927 VanDerWaalsContact O-N 3.15Å; V1924-K1927 PolarHBondContact O-N 3.17Å; E1925-K1927 VanDerWaalsContact C-N 3.32Å; E1925-K1927 PolarHBondContact O-N 3.22Å; K1927-A1929 VanDerWaalsContact C-N 3.31Å; K1927-A1929 PolarHBondContact O-N 3.06Å; K1927-S1930 PolarHBondContact O-N 3.18Å; K1927-S1930 VanDerWaalsContact O-N 3.16Å; K1927-S1930 PolarHBondContact O-OG 3.06Å; K1927-I1931 HydrophobicContact CG-CD1 4.23Å; K1927-I1931 WeakPolarHBondContact O-CD1 3.3Å; K1927-I1931 VanDerWaalsContact O-CG1 3.28Å; K1927-I1931 WeakPolarHBondContact O-CG1 3.4Å; K1927-I1931 PolarHBondContact O-N 3.05Å; K1927-I1931 VanDerWaalsContact O-N 3.1Å
1928E83Confident74.8Confident4 Ų441.6 Ų41.62%0.01925%0.246CC..Hα-helixtrans-60.4-42.1175.8-75.7-176.3-179.700111.5F1850 T1851 H1852 I1856 V1924 E1925 S1930 I1931 V1932F1850-E1928 HydrophobicContact CD1-CB 3.78Å; F1850-E1928 HydrophobicContact CD1-CG 3.71Å; F1850-E1928 HydrophobicContact CE1-CB 3.93Å; F1850-E1928 HydrophobicContact CE1-CG 4.08Å; T1851-E1928 WeakPolarHBondContact CB-OE1 3.38Å; T1851-E1928 PolarHBondContact N-OE1 3.17Å; T1851-E1928 PolarHBondContact N-OE2 3.18Å; T1851-E1928 PolarHBondContact OG1-OE1 3.19Å; T1851-E1928 PolarHBondContact OG1-OE2 3.26Å; H1852-E1928 WeakPolarHBondContact CB-OE2 3.42Å; H1852-E1928 IonicContact CG-OE2 3.62Å; H1852-E1928 PolarHBondContact N-OE2 3.16Å; H1852-E1928 VanDerWaalsContact N-OE2 3.11Å; H1852-E1928 IonicContact ND1-OE2 3.54Å; I1856-E1928 HydrophobicContact CD1-CB 3.51Å; I1856-E1928 VanDerWaalsContact CD1-CB 3.45Å; I1856-E1928 HydrophobicContact CD1-CG 4.49Å; I1856-E1928 WeakPolarHBondContact CD1-OE2 3.35Å; V1924-E1928 HydrophobicContact CG1-CG 4.4Å; V1924-E1928 WeakPolarHBondContact O-CB 3.39Å; V1924-E1928 WeakPolarHBondContact O-CG 3.33Å; V1924-E1928 PolarHBondContact O-N 3.02Å; E1925-E1928 PolarHBondContact O-N 3.16Å; E1928-S1930 VanDerWaalsContact C-N 3.35Å; E1928-S1930 PolarHBondContact O-N 3.27Å; E1928-I1931 PolarHBondContact O-N 3.14Å; E1928-V1932 WeakPolarHBondContact O-CG2 3.38Å; E1928-V1932 PolarHBondContact O-N 3.19Å; E1928-V1932 VanDerWaalsContact O-N 3.11Å
1929A83.5Confident76.2Confident6 Ų638.8 Ų38.85%0.0523%0.231CC..Hα-helixtrans-63.2-41.6175.100000112.6E1925 K1927 I1931 V1932 M1933 F1960 V1963E1925-A1929 VanDerWaalsContact O-CB 3.26Å; E1925-A1929 WeakPolarHBondContact O-CB 3.35Å; E1925-A1929 PolarHBondContact O-N 3.06Å; K1927-A1929 VanDerWaalsContact C-N 3.31Å; K1927-A1929 PolarHBondContact O-N 3.06Å; A1929-I1931 VanDerWaalsContact C-N 3.31Å; A1929-I1931 PolarHBondContact O-N 3.42Å; A1929-V1932 PolarHBondContact O-N 3.03Å; A1929-V1932 VanDerWaalsContact O-N 3.14Å; A1929-M1933 WeakPolarHBondContact O-CG 3.38Å; A1929-M1933 PolarHBondContact O-N 3.05Å; A1929-F1960 HydrophobicContact CB-CD1 3.82Å; A1929-F1960 HydrophobicContact CB-CE1 4.15Å; A1929-V1963 HydrophobicContact CB-CG1 4.47Å; A1929-V1963 HydrophobicContact CB-CG2 4.14Å
1930S83Confident77.4Confident11.2 Ų11.236 Ų368%0.07821%0.208CC..Hα-helixtrans-61.1-40.3176.989.20000112.3E1926 K1927 E1928 V1932 M1933 M1934 V1963E1926-S1930 WeakPolarHBondContact O-CB 3.38Å; E1926-S1930 PolarHBondContact O-N 3.28Å; K1927-S1930 PolarHBondContact O-N 3.18Å; K1927-S1930 VanDerWaalsContact O-N 3.16Å; K1927-S1930 PolarHBondContact O-OG 3.06Å; E1928-S1930 VanDerWaalsContact C-N 3.35Å; E1928-S1930 PolarHBondContact O-N 3.27Å; S1930-V1932 VanDerWaalsContact C-N 3.33Å; S1930-V1932 PolarHBondContact O-N 3.26Å; S1930-M1933 PolarHBondContact O-N 3.14Å; S1930-M1934 WeakPolarHBondContact O-CB 3.34Å; S1930-M1934 PolarHBondContact O-N 3.2Å; S1930-V1963 VanDerWaalsContact CA-CG1 3.48Å; S1930-V1963 VanDerWaalsContact CB-CG1 3.46Å
1931I83.5Confident78.8Confident3 Ų331.6 Ų31.62%0.01518%0.176CC..Hα-helixtrans-65-41.1177-68.2160.8000111F1850 A1907 F1910 H1911 M1914 K1927 E1928 A1929 M1934 A1935F1850-I1931 HydrophobicContact CZ-CG2 4.17Å; A1907-I1931 HydrophobicContact CB-CG2 4.23Å; A1907-I1931 VanDerWaalsContact O-CG2 3.29Å; A1907-I1931 WeakPolarHBondContact O-CG2 3.43Å; F1910-I1931 HydrophobicContact CB-CG2 3.73Å; H1911-I1931 HydrophobicContact CB-CD1 4.21Å; H1911-I1931 HydrophobicContact CB-CG2 4.35Å; H1911-I1931 WeakPolarHBondContact ND1-CD1 3.28Å; M1914-I1931 HydrophobicContact SD-CG1 4.35Å; K1927-I1931 HydrophobicContact CG-CD1 4.23Å; K1927-I1931 WeakPolarHBondContact O-CD1 3.3Å; K1927-I1931 VanDerWaalsContact O-CG1 3.28Å; K1927-I1931 WeakPolarHBondContact O-CG1 3.4Å; K1927-I1931 PolarHBondContact O-N 3.05Å; K1927-I1931 VanDerWaalsContact O-N 3.1Å; E1928-I1931 PolarHBondContact O-N 3.14Å; A1929-I1931 VanDerWaalsContact C-N 3.31Å; A1929-I1931 PolarHBondContact O-N 3.42Å; I1931-M1934 WeakPolarHBondContact O-CB 3.34Å; I1931-M1934 PolarHBondContact O-N 3.01Å; I1931-A1935 WeakPolarHBondContact O-CB 3.42Å; I1931-A1935 PolarHBondContact O-N 3.09Å
1932V86Confident80.2Confident1 Ų127 Ų271%0.00614%0.139CC..Hα-helixtrans-68.1-40.9176.7172.70000111.4L1845 F1850 I1856 L1860 A1907 E1928 A1929 S1930 M1934 A1935 L1936 F1960L1845-V1932 HydrophobicContact CD2-CG2 4.41Å; F1850-V1932 HydrophobicContact CE1-CG2 3.94Å; F1850-V1932 HydrophobicContact CZ-CG2 4.25Å; I1856-V1932 HydrophobicContact CG2-CB 4.38Å; I1856-V1932 HydrophobicContact CG2-CG1 4.34Å; I1856-V1932 HydrophobicContact CG2-CG2 3.82Å; L1860-V1932 HydrophobicContact CD1-CG1 4.11Å; A1907-V1932 HydrophobicContact CB-CG2 4.14Å; E1928-V1932 WeakPolarHBondContact O-CG2 3.38Å; E1928-V1932 PolarHBondContact O-N 3.19Å; E1928-V1932 VanDerWaalsContact O-N 3.11Å; A1929-V1932 PolarHBondContact O-N 3.03Å; A1929-V1932 VanDerWaalsContact O-N 3.14Å; S1930-V1932 VanDerWaalsContact C-N 3.33Å; S1930-V1932 PolarHBondContact O-N 3.26Å; V1932-M1934 VanDerWaalsContact C-N 3.31Å; V1932-M1934 PolarHBondContact O-N 3.13Å; V1932-A1935 PolarHBondContact O-N 3.05Å; V1932-L1936 HydrophobicContact CG1-CD1 4.05Å; V1932-L1936 HydrophobicContact CG1-CG 4.39Å; V1932-L1936 WeakPolarHBondContact O-CB 3.32Å; V1932-L1936 VanDerWaalsContact O-CG 3.3Å; V1932-L1936 WeakPolarHBondContact O-CG 3.38Å; V1932-L1936 PolarHBondContact O-N 3.08Å; V1932-F1960 HydrophobicContact CG1-CZ 4.29Å
1933M83.2Confident81.2Confident7 Ų723.2 Ų23.23%0.03412%0.121CC..Hα-helixtrans-60.1-41.3173.2-74.4-168.6-13.800112.3A1929 S1930 L1936 R1937 L1956 F1960 V1963A1929-M1933 WeakPolarHBondContact O-CG 3.38Å; A1929-M1933 PolarHBondContact O-N 3.05Å; S1930-M1933 PolarHBondContact O-N 3.14Å; M1933-L1936 WeakPolarHBondContact O-CB 3.25Å; M1933-L1936 PolarHBondContact O-N 3.26Å; M1933-R1937 WeakPolarHBondContact O-CB 3.32Å; M1933-R1937 VanDerWaalsContact O-CG 3.31Å; M1933-R1937 WeakPolarHBondContact O-CG 3.37Å; M1933-R1937 PolarHBondContact O-N 3Å; M1933-L1956 HydrophobicContact CE-CB 4.27Å; M1933-F1960 HydrophobicContact CE-CB 4.43Å; M1933-F1960 HydrophobicContact CG-CB 4.06Å; M1933-F1960 HydrophobicContact CG-CD1 4.39Å; M1933-F1960 HydrophobicContact CG-CD2 3.47Å; M1933-F1960 VanDerWaalsContact CG-CD2 3.44Å; M1933-F1960 HydrophobicContact CG-CE2 3.94Å; M1933-F1960 HydrophobicContact CG-CG 3.77Å; M1933-F1960 HydrophobicContact CG-CZ 4.42Å; M1933-F1960 HydrophobicContact SD-CB 3.46Å; M1933-F1960 WeakPolarHBondContact SD-CB 3.38Å; M1933-F1960 HydrophobicContact SD-CD2 3.9Å; M1933-F1960 HydrophobicContact SD-CG 3.86Å; M1933-V1963 HydrophobicContact CE-CB 3.4Å; M1933-V1963 VanDerWaalsContact CE-CB 3.47Å; M1933-V1963 HydrophobicContact CE-CG1 3.23Å; M1933-V1963 HydrophobicContact CE-CG2 4.47Å; M1933-V1963 HydrophobicContact SD-CB 4.1Å; M1933-V1963 HydrophobicContact SD-CG1 3.59Å; M1933-V1963 VanDerWaalsContact SD-CG1 3.54Å
1934M80.8Confident81.9Confident13.8 Ų13.820.7 Ų20.77%0.06810%0.103CC..Hα-helixtrans-62.2-46.4175.6-178.4-175.9176.700111.2F1910 M1914 S1930 I1931 V1932 L1936 R1937 M1938 I1968F1910-M1934 HydrophobicContact CB-SD 4.49Å; F1910-M1934 HydrophobicContact CD1-CE 4.06Å; F1910-M1934 HydrophobicContact CD1-SD 4.45Å; F1910-M1934 HydrophobicContact CD2-CB 4.44Å; F1910-M1934 HydrophobicContact CD2-CE 4.26Å; F1910-M1934 HydrophobicContact CD2-CG 4.14Å; F1910-M1934 HydrophobicContact CD2-SD 4.07Å; F1910-M1934 HydrophobicContact CE1-CE 3.93Å; F1910-M1934 HydrophobicContact CE2-CE 4.19Å; F1910-M1934 HydrophobicContact CE2-CG 3.99Å; F1910-M1934 HydrophobicContact CE2-SD 4.31Å; F1910-M1934 HydrophobicContact CG-CE 4.27Å; F1910-M1934 HydrophobicContact CG-SD 4.21Å; F1910-M1934 HydrophobicContact CZ-CE 3.99Å; F1910-M1934 HydrophobicContact CZ-CG 4.42Å; M1914-M1934 HydrophobicContact CE-CE 3.85Å; M1914-M1934 HydrophobicContact CE-SD 4.03Å; M1914-M1934 HydrophobicContact SD-SD 4.3Å; S1930-M1934 WeakPolarHBondContact O-CB 3.34Å; S1930-M1934 PolarHBondContact O-N 3.2Å; I1931-M1934 WeakPolarHBondContact O-CB 3.34Å; I1931-M1934 PolarHBondContact O-N 3.01Å; V1932-M1934 VanDerWaalsContact C-N 3.31Å; V1932-M1934 PolarHBondContact O-N 3.13Å; M1934-L1936 VanDerWaalsContact C-N 3.32Å; M1934-L1936 PolarHBondContact O-N 3.03Å; M1934-R1937 PolarHBondContact O-N 3.23Å; M1934-M1938 WeakPolarHBondContact O-CB 3.41Å; M1934-M1938 WeakPolarHBondContact O-CG 3.46Å; M1934-M1938 PolarHBondContact O-N 3.05Å; M1934-I1968 HydrophobicContact CE-CB 4.36Å; M1934-I1968 HydrophobicContact CE-CD1 3.84Å; M1934-I1968 HydrophobicContact CE-CG1 3.23Å; M1934-I1968 VanDerWaalsContact CE-CG1 3.47Å; M1934-I1968 HydrophobicContact CE-CG2 4.34Å
1935A84.1Confident82.2Confident0 Ų018.2 Ų18.20%09%0.088CC..Hα-helixtrans-62.6-37.817500000112.8V1903 N1906 A1907 F1910 I1931 V1932 N1939V1903-A1935 HydrophobicContact CG1-CB 4.13Å; V1903-A1935 WeakPolarHBondContact O-CB 3.33Å; N1906-A1935 HydrophobicContact CB-CB 4.16Å; A1907-A1935 HydrophobicContact CB-CB 3.86Å; F1910-A1935 HydrophobicContact CD2-CB 4.18Å; F1910-A1935 HydrophobicContact CE2-CB 4.25Å; I1931-A1935 WeakPolarHBondContact O-CB 3.42Å; I1931-A1935 PolarHBondContact O-N 3.09Å; V1932-A1935 PolarHBondContact O-N 3.05Å; A1935-N1939 WeakPolarHBondContact O-CB 3.35Å; A1935-N1939 PolarHBondContact O-N 3.13Å; A1935-N1939 VanDerWaalsContact O-N 3.08Å; A1935-N1939 PolarHBondContact O-ND2 3.27Å
1936L86Confident82.3Confident0.4 Ų0.418.3 Ų18.30%0.0029%0.091CC..Hα-helixtrans-63.6-48.8174.9-78.9168.2000111.7L1860 L1863 F1864 V1903 V1932 M1933 M1934 M1938 N1939 C1940 F1952 L1956 F1960L1860-L1936 HydrophobicContact CD1-CD1 3.87Å; L1860-L1936 HydrophobicContact CD1-CD2 3.72Å; L1860-L1936 HydrophobicContact CD1-CG 4.07Å; L1863-L1936 HydrophobicContact CD1-CD1 4.26Å; L1863-L1936 HydrophobicContact CD2-CD1 3.72Å; L1863-L1936 HydrophobicContact CD2-CD2 4.2Å; F1864-L1936 HydrophobicContact CE2-CD2 3.69Å; F1864-L1936 HydrophobicContact CZ-CD2 4.35Å; V1903-L1936 HydrophobicContact CB-CD2 4.43Å; V1903-L1936 HydrophobicContact CG1-CD2 3.85Å; V1903-L1936 HydrophobicContact CG1-CG 3.93Å; V1903-L1936 HydrophobicContact CG2-CD2 4.02Å; V1932-L1936 HydrophobicContact CG1-CD1 4.05Å; V1932-L1936 HydrophobicContact CG1-CG 4.39Å; V1932-L1936 WeakPolarHBondContact O-CB 3.32Å; V1932-L1936 VanDerWaalsContact O-CG 3.3Å; V1932-L1936 WeakPolarHBondContact O-CG 3.38Å; V1932-L1936 PolarHBondContact O-N 3.08Å; M1933-L1936 WeakPolarHBondContact O-CB 3.25Å; M1933-L1936 PolarHBondContact O-N 3.26Å; M1934-L1936 VanDerWaalsContact C-N 3.32Å; M1934-L1936 PolarHBondContact O-N 3.03Å; L1936-M1938 VanDerWaalsContact C-N 3.34Å; L1936-M1938 PolarHBondContact O-N 3.24Å; L1936-N1939 PolarHBondContact O-N 3.05Å; L1936-C1940 VanDerWaalsContact O-CB 3.28Å; L1936-C1940 WeakPolarHBondContact O-CB 3.34Å; L1936-C1940 PolarHBondContact O-N 3.04Å; L1936-C1940 PolarHBondContact O-SG 3.15Å; L1936-C1940 VanDerWaalsContact O-SG 3.36Å; L1936-F1952 HydrophobicContact CB-CZ 4.36Å; L1936-L1956 HydrophobicContact CB-CD2 4.4Å; L1936-L1956 HydrophobicContact CD1-CD2 3.91Å; L1936-F1960 HydrophobicContact CD1-CE2 4.1Å; L1936-F1960 HydrophobicContact CD1-CZ 4.47Å
1937R83.6Confident82.4Confident55.2 Ų55.222.2 Ų22.221%0.20811%0.109CC..Hα-helixtrans-59.8-48.7179.1-76.9178.5152.9-152.8-5.9111.6M1933 M1934 N1939 C1940 L1941 F1952 D1953 L1956M1933-R1937 WeakPolarHBondContact O-CB 3.32Å; M1933-R1937 VanDerWaalsContact O-CG 3.31Å; M1933-R1937 WeakPolarHBondContact O-CG 3.37Å; M1933-R1937 PolarHBondContact O-N 3Å; M1934-R1937 PolarHBondContact O-N 3.23Å; R1937-N1939 VanDerWaalsContact C-N 3.3Å; R1937-N1939 PolarHBondContact O-N 3.02Å; R1937-C1940 PolarHBondContact O-N 3.14Å; R1937-L1941 HydrophobicContact CB-CD1 3.68Å; R1937-L1941 HydrophobicContact CB-CG 4.11Å; R1937-L1941 HydrophobicContact CG-CD1 3.87Å; R1937-L1941 HydrophobicContact CG-CG 4.26Å; R1937-L1941 VanDerWaalsContact O-CB 3.27Å; R1937-L1941 WeakPolarHBondContact O-CB 3.35Å; R1937-L1941 VanDerWaalsContact O-CG 3.31Å; R1937-L1941 WeakPolarHBondContact O-CG 3.43Å; R1937-L1941 PolarHBondContact O-N 3.29Å; R1937-F1952 HydrophobicContact CG-CE1 4.29Å; R1937-D1953 IonicContact CZ-OD1 3.49Å; R1937-D1953 VanDerWaalsContact CZ-OD1 3.29Å; R1937-D1953 IonicContact CZ-OD2 3.53Å; R1937-D1953 IonicContact NE-OD1 3.44Å; R1937-D1953 PolarHBondContact NE-OD1 2.92Å; R1937-D1953 VanDerWaalsContact NE-OD1 3.12Å; R1937-D1953 IonicContact NH2-OD1 3.2Å; R1937-D1953 PolarHBondContact NH2-OD1 3.16Å; R1937-D1953 VanDerWaalsContact NH2-OD1 3.12Å; R1937-D1953 IonicContact NH2-OD2 3.11Å; R1937-D1953 PolarHBondContact NH2-OD2 3.24Å; R1937-L1956 HydrophobicContact CG-CD1 3.9Å
1938M79.5Confident82.7Confident24.8 Ų24.821.1 Ų21.112%0.12211%0.105CC..Hα-helixtrans-59.6-36.4178.6-135.5-13322.100113.3N1906 F1910 M1934 L1936 I1968 E2001 Q2002 Q2005N1906-M1938 HydrophobicContact CB-CE 3.63Å; N1906-M1938 VanDerWaalsContact ND2-CE 3.3Å; N1906-M1938 WeakPolarHBondContact ND2-CE 3.37Å; F1910-M1938 HydrophobicContact CE1-SD 4.47Å; F1910-M1938 HydrophobicContact CE2-CE 3.94Å; F1910-M1938 HydrophobicContact CE2-CG 4.36Å; F1910-M1938 HydrophobicContact CE2-SD 4.15Å; F1910-M1938 HydrophobicContact CZ-CE 3.76Å; F1910-M1938 HydrophobicContact CZ-CG 4.29Å; F1910-M1938 HydrophobicContact CZ-SD 3.51Å; F1910-M1938 VanDerWaalsContact CZ-SD 3.53Å; F1910-M1938 WeakPolarHBondContact CZ-SD 3.37Å; M1934-M1938 WeakPolarHBondContact O-CB 3.41Å; M1934-M1938 WeakPolarHBondContact O-CG 3.46Å; M1934-M1938 PolarHBondContact O-N 3.05Å; L1936-M1938 VanDerWaalsContact C-N 3.34Å; L1936-M1938 PolarHBondContact O-N 3.24Å; M1938-I1968 HydrophobicContact CE-CD1 3.61Å; M1938-I1968 HydrophobicContact CG-CD1 4.29Å; M1938-I1968 HydrophobicContact SD-CD1 3.92Å; M1938-I1968 VanDerWaalsContact SD-CD1 3.56Å; M1938-I1968 WeakPolarHBondContact SD-CD1 3.22Å; M1938-I1968 HydrophobicContact SD-CG1 4.37Å; M1938-E2001 HydrophobicContact CE-CB 3.84Å; M1938-E2001 HydrophobicContact CE-CG 3.64Å; M1938-E2001 WeakPolarHBondContact CE-OE2 3.24Å; M1938-E2001 HydrophobicContact CG-CB 4.31Å; M1938-E2001 WeakPolarHBondContact CG-OE2 3.35Å; M1938-Q2002 PolarHBondContact O-NE2 3.02Å; M1938-Q2002 VanDerWaalsContact O-NE2 3.12Å; M1938-Q2005 HydrophobicContact CE-CG 4.47Å; M1938-Q2005 PolarHBondContact SD-NE2 3.06Å
1939N80.6Confident82.6Confident7.4 Ų7.422.3 Ų22.34%0.0411%0.113CC..Hα-helixtrans-85.5-25.6-178.3-80.2-83.8000113.7S1902 V1903 N1906 A1935 L1936 R1937 K1943 Q2005S1902-N1939 VanDerWaalsContact CB-OD1 3.28Å; S1902-N1939 WeakPolarHBondContact CB-OD1 3.32Å; S1902-N1939 PolarHBondContact OG-OD1 3.14Å; S1902-N1939 VanDerWaalsContact OG-OD1 3.09Å; V1903-N1939 HydrophobicContact CG2-CB 3.91Å; N1906-N1939 PolarHBondContact ND2-ND2 3.43Å; N1906-N1939 PolarHBondContact ND2-OD1 3.19Å; N1906-N1939 VanDerWaalsContact ND2-OD1 3.15Å; A1935-N1939 WeakPolarHBondContact O-CB 3.35Å; A1935-N1939 PolarHBondContact O-N 3.13Å; A1935-N1939 VanDerWaalsContact O-N 3.08Å; A1935-N1939 PolarHBondContact O-ND2 3.27Å; L1936-N1939 PolarHBondContact O-N 3.05Å; R1937-N1939 VanDerWaalsContact C-N 3.3Å; R1937-N1939 PolarHBondContact O-N 3.02Å; N1939-K1943 WeakPolarHBondContact O-CE 3.25Å; N1939-Q2005 PolarHBondContact OD1-OE1 3.17Å
1940C83.1Confident82.6Confident0.2 Ų0.229.5 Ų29.50%0.00114%0.143CC..Hα-helixtrans-113.9-31.1-167.3-56.80000114.1W1895 L1936 R1937 S1942 K1943 L1944 F1952W1895-C1940 HydrophobicContact CH2-CB 4.27Å; W1895-C1940 HydrophobicContact CZ3-CB 4.21Å; W1895-C1940 VanDerWaalsContact CZ3-SG 3.57Å; L1936-C1940 VanDerWaalsContact O-CB 3.28Å; L1936-C1940 WeakPolarHBondContact O-CB 3.34Å; L1936-C1940 PolarHBondContact O-N 3.04Å; L1936-C1940 PolarHBondContact O-SG 3.15Å; L1936-C1940 VanDerWaalsContact O-SG 3.36Å; R1937-C1940 PolarHBondContact O-N 3.14Å; C1940-S1942 VanDerWaalsContact C-N 3.31Å; C1940-S1942 PolarHBondContact O-N 2.95Å; C1940-K1943 WeakPolarHBondContact O-CB 3.3Å; C1940-K1943 VanDerWaalsContact O-CG 3.25Å; C1940-K1943 WeakPolarHBondContact O-CG 3.25Å; C1940-K1943 PolarHBondContact O-N 2.92Å; C1940-K1943 VanDerWaalsContact O-N 3.1Å; C1940-L1944 VanDerWaalsContact O-CG 3.32Å; C1940-L1944 WeakPolarHBondContact O-CG 3.34Å; C1940-F1952 HydrophobicContact CB-CE1 4.38Å; C1940-F1952 HydrophobicContact CB-CE2 3.97Å; C1940-F1952 HydrophobicContact CB-CZ 3.77Å
1941L83.4Confident82.6Confident47.2 Ų47.230.5 Ų30.525%0.24715%0.149CC..G310 helixtrans-61.3-40.3-173.3-109.6138.2000112.4R1937 K1943 L1944 S1949 F1952R1937-L1941 HydrophobicContact CB-CD1 3.68Å; R1937-L1941 HydrophobicContact CB-CG 4.11Å; R1937-L1941 HydrophobicContact CG-CD1 3.87Å; R1937-L1941 HydrophobicContact CG-CG 4.26Å; R1937-L1941 VanDerWaalsContact O-CB 3.27Å; R1937-L1941 WeakPolarHBondContact O-CB 3.35Å; R1937-L1941 VanDerWaalsContact O-CG 3.31Å; R1937-L1941 WeakPolarHBondContact O-CG 3.43Å; R1937-L1941 PolarHBondContact O-N 3.29Å; L1941-K1943 PolarHBondContact O-N 3.23Å; L1941-K1943 VanDerWaalsContact O-N 3.14Å; L1941-L1944 PolarHBondContact O-N 3.11Å; L1941-L1944 VanDerWaalsContact O-N 3.15Å; L1941-S1949 WeakPolarHBondContact CD1-OG 3.3Å; L1941-F1952 HydrophobicContact CD2-CD1 3.76Å; L1941-F1952 HydrophobicContact CD2-CE1 3.92Å; L1941-F1952 HydrophobicContact CG-CE1 4.33Å
1942S83.3Confident82.6Confident3 Ų330.4 Ų30.42%0.02115%0.149CC..G310 helixtrans-64.3-22.1-17766.90000114.1C1940 E1998 Q2002 F2144 V2145 Y2146C1940-S1942 VanDerWaalsContact C-N 3.31Å; C1940-S1942 PolarHBondContact O-N 2.95Å; S1942-E1998 VanDerWaalsContact CA-OE2 3.28Å; S1942-E1998 WeakPolarHBondContact CA-OE2 3.38Å; S1942-E1998 WeakPolarHBondContact CB-OE2 3.45Å; S1942-Q2002 PolarHBondContact OG-NE2 3.06Å; S1942-F2144 CarbonylContact C-O 3.5Å; S1942-F2144 WeakPolarHBondContact CB-O 3.4Å; S1942-F2144 PolarHBondContact OG-O 3.14Å; S1942-V2145 CarbonylContact O-C 3.48Å; S1942-V2145 VanDerWaalsContact O-CA 3.29Å; S1942-V2145 WeakPolarHBondContact O-CA 3.3Å; S1942-Y2146 PolarHBondContact O-N 3.25Å
1943K84.4Confident82.4Confident8 Ų832.2 Ų32.24%0.03516%0.158CC..G310 helixtrans-87.7-21.2179.441-168.1176.5179.70113.3H1892 Y1893 D1894 W1895 N1939 C1940 L1941 F2144H1892-K1943 PolarHBondContact CD2-O 2.92Å; H1892-K1943 VanDerWaalsContact CD2-O 3.27Å; H1892-K1943 PolarHBondContact NE2-O 3.27Å; H1892-K1943 VanDerWaalsContact NE2-O 3.13Å; Y1893-K1943 HydrophobicContact CD1-CB 4.49Å; Y1893-K1943 HydrophobicContact CD1-CG 4.36Å; Y1893-K1943 HydrophobicContact CE1-CB 4.47Å; Y1893-K1943 HydrophobicContact CE1-CG 4.31Å; Y1893-K1943 WeakPolarHBondContact CE1-O 3.33Å; D1894-K1943 PolarHBondContact O-NZ 3.35Å; W1895-K1943 VanDerWaalsContact CH2-CE 3.47Å; W1895-K1943 VanDerWaalsContact CH2-NZ 3.34Å; W1895-K1943 VanDerWaalsContact CZ3-NZ 3.3Å; N1939-K1943 WeakPolarHBondContact O-CE 3.25Å; C1940-K1943 WeakPolarHBondContact O-CB 3.3Å; C1940-K1943 VanDerWaalsContact O-CG 3.25Å; C1940-K1943 WeakPolarHBondContact O-CG 3.25Å; C1940-K1943 PolarHBondContact O-N 2.92Å; C1940-K1943 VanDerWaalsContact O-N 3.1Å; L1941-K1943 PolarHBondContact O-N 3.23Å; L1941-K1943 VanDerWaalsContact O-N 3.14Å; K1943-F2144 HydrophobicContact CB-CB 3.57Å; K1943-F2144 HydrophobicContact CB-CD2 4.48Å; K1943-F2144 HydrophobicContact CB-CG 4.27Å; K1943-F2144 HydrophobicContact CD-CD2 4.4Å; K1943-F2144 HydrophobicContact CG-CB 4.13Å
1944L83.4Confident82.3Confident1.4 Ų1.434 Ų341%0.00717%0.174CC..SBendtrans-82.9151.3-168.8-63.6173.3000111.9L1887 Y1893 W1895 C1940 L1941 D1948 S1949 F1952L1887-L1944 HydrophobicContact CD1-CD2 4.39Å; L1887-L1944 HydrophobicContact CD2-CD2 4.36Å; Y1893-L1944 HydrophobicContact CD1-CD2 4.37Å; Y1893-L1944 HydrophobicContact CE1-CD2 3.78Å; Y1893-L1944 HydrophobicContact CE2-CD2 4.02Å; Y1893-L1944 VanDerWaalsContact CZ-CD2 3.5Å; Y1893-L1944 WeakPolarHBondContact OH-CA 3.28Å; W1895-L1944 HydrophobicContact CH2-CD2 4.26Å; W1895-L1944 HydrophobicContact CZ2-CD2 4.23Å; C1940-L1944 VanDerWaalsContact O-CG 3.32Å; C1940-L1944 WeakPolarHBondContact O-CG 3.34Å; L1941-L1944 PolarHBondContact O-N 3.11Å; L1941-L1944 VanDerWaalsContact O-N 3.15Å; L1944-D1948 HydrophobicContact CB-CB 4.28Å; L1944-D1948 HydrophobicContact CD2-CB 4.29Å; L1944-S1949 WeakPolarHBondContact CB-OG 3.13Å; L1944-F1952 HydrophobicContact CD1-CB 3.49Å; L1944-F1952 VanDerWaalsContact CD1-CB 3.46Å; L1944-F1952 HydrophobicContact CD1-CD1 3.92Å; L1944-F1952 HydrophobicContact CD1-CD2 3.86Å; L1944-F1952 HydrophobicContact CD1-CE1 4.48Å; L1944-F1952 HydrophobicContact CD1-CE2 4.47Å; L1944-F1952 HydrophobicContact CD1-CG 3.5Å; L1944-F1952 VanDerWaalsContact CD1-CG 3.48Å
1945T81.8Confident82.3Confident15.6 Ų15.634.1 Ų34.110%0.09618%0.175CC..  trans-69.1161.8165.4700000110.4Q1890 Y1893 E1947 D1948 S1949 Y2146Q1890-T1945 HydrophobicContact CG-CG2 4.48Å; Y1893-T1945 PolarHBondContact OH-N 3.04Å; Y1893-T1945 VanDerWaalsContact OH-N 3.13Å; T1945-E1947 VanDerWaalsContact C-N 3.28Å; T1945-E1947 PolarHBondContact O-N 3.19Å; T1945-D1948 CarbonylContact O-C 3.4Å; T1945-D1948 PolarHBondContact O-N 3.15Å; T1945-D1948 VanDerWaalsContact O-N 3.15Å; T1945-D1948 VanDerWaalsContact OG1-CB 3.26Å; T1945-D1948 WeakPolarHBondContact OG1-CB 3.29Å; T1945-D1948 VanDerWaalsContact OG1-CG 3.24Å; T1945-D1948 PolarHBondContact OG1-N 3.15Å; T1945-D1948 VanDerWaalsContact OG1-N 3.14Å; T1945-D1948 PolarHBondContact OG1-OD2 3.09Å; T1945-D1948 VanDerWaalsContact OG1-OD2 3.13Å; T1945-S1949 VanDerWaalsContact O-CB 3.25Å; T1945-S1949 WeakPolarHBondContact O-CB 3.34Å; T1945-S1949 PolarHBondContact O-N 3.14Å; T1945-S1949 PolarHBondContact O-OG 2.69Å; T1945-Y2146 HydrophobicContact CG2-CD1 4.34Å; T1945-Y2146 HydrophobicContact CG2-CE1 3.9Å; T1945-Y2146 HydrophobicContact CG2-CE2 4.37Å
1946D78.6Confident82.2Confident73.2 Ų73.234.2 Ų34.239%0.39118%0.175SC..Hα-helixtrans-62.9-32.9-178.5-64.2-31.2000112.6S1949 K1950 S2148D1946-S1949 PolarHBondContact O-OG 3.33Å; D1946-K1950 WeakPolarHBondContact O-CG 3.38Å; D1946-K1950 PolarHBondContact O-N 3.07Å; D1946-S2148 WeakPolarHBondContact OD2-CB 3.35Å; D1946-S2148 PolarHBondContact OD2-OG 3.04Å
1947E78.6Confident81.9Confident153 Ų15341.5 Ų41.572%0.71520%0.203SC*.Hα-helixtrans-71-48.5173.9-65.3-179.6174.300111.3T1945 S1949 K1950 T1951T1945-E1947 VanDerWaalsContact C-N 3.28Å; T1945-E1947 PolarHBondContact O-N 3.19Å; E1947-S1949 VanDerWaalsContact C-N 3.27Å; E1947-S1949 PolarHBondContact O-N 3.14Å; E1947-K1950 WeakPolarHBondContact O-CB 3.3Å; E1947-K1950 PolarHBondContact O-N 3.04Å; E1947-K1950 VanDerWaalsContact O-N 3.15Å; E1947-T1951 PolarHBondContact O-N 3.12Å; E1947-T1951 PolarHBondContact O-OG1 3.35Å
1948D83Confident81.6Confident7.8 Ų7.844.3 Ų44.34%0.04222%0.218CC..Hα-helixtrans-65.3-30.1179.2-73.1-37.5000112.3L1887 S1888 Y1893 L1944 T1945 K1950 T1951 F1952L1887-D1948 VanDerWaalsContact CA-OD1 3.25Å; L1887-D1948 WeakPolarHBondContact CA-OD1 3.33Å; L1887-D1948 HydrophobicContact CD2-CB 3.74Å; L1887-D1948 VanDerWaalsContact CD2-CB 3.44Å; L1887-D1948 VanDerWaalsContact CD2-CG 3.49Å; L1887-D1948 VanDerWaalsContact CD2-O 3.25Å; L1887-D1948 WeakPolarHBondContact CD2-O 3.44Å; S1888-D1948 WeakPolarHBondContact CB-OD2 3.35Å; S1888-D1948 PolarHBondContact N-OD1 3.14Å; S1888-D1948 VanDerWaalsContact N-OD1 3.08Å; S1888-D1948 PolarHBondContact N-OD2 3.26Å; S1888-D1948 PolarHBondContact OG-OD2 3.2Å; Y1893-D1948 HydrophobicContact CE2-CB 4.44Å; Y1893-D1948 VanDerWaalsContact CE2-OD2 3.25Å; Y1893-D1948 WeakPolarHBondContact CE2-OD2 3.28Å; Y1893-D1948 VanDerWaalsContact CZ-OD2 3.29Å; Y1893-D1948 WeakPolarHBondContact OH-CB 3.35Å; Y1893-D1948 VanDerWaalsContact OH-CG 3.28Å; Y1893-D1948 PolarHBondContact OH-OD2 3.14Å; L1944-D1948 HydrophobicContact CB-CB 4.28Å; L1944-D1948 HydrophobicContact CD2-CB 4.29Å; T1945-D1948 CarbonylContact O-C 3.4Å; T1945-D1948 PolarHBondContact O-N 3.15Å; T1945-D1948 VanDerWaalsContact O-N 3.15Å; T1945-D1948 VanDerWaalsContact OG1-CB 3.26Å; T1945-D1948 WeakPolarHBondContact OG1-CB 3.29Å; T1945-D1948 VanDerWaalsContact OG1-CG 3.24Å; T1945-D1948 PolarHBondContact OG1-N 3.15Å; T1945-D1948 VanDerWaalsContact OG1-N 3.14Å; T1945-D1948 PolarHBondContact OG1-OD2 3.09Å; T1945-D1948 VanDerWaalsContact OG1-OD2 3.13Å; D1948-K1950 VanDerWaalsContact C-N 3.32Å; D1948-K1950 PolarHBondContact O-N 3.05Å; D1948-T1951 PolarHBondContact O-N 3.27Å; D1948-F1952 VanDerWaalsContact O-CB 3.25Å; D1948-F1952 WeakPolarHBondContact O-CB 3.26Å; D1948-F1952 PolarHBondContact O-N 3.07Å
1949S82.2Confident81.5Confident28.4 Ų28.445 Ų4520%0.19922%0.224CC..Hα-helixtrans-62.5-40.5175.2140.40000111.7L1941 L1944 T1945 D1946 E1947 F1952 D1953L1941-S1949 WeakPolarHBondContact CD1-OG 3.3Å; L1944-S1949 WeakPolarHBondContact CB-OG 3.13Å; T1945-S1949 VanDerWaalsContact O-CB 3.25Å; T1945-S1949 WeakPolarHBondContact O-CB 3.34Å; T1945-S1949 PolarHBondContact O-N 3.14Å; T1945-S1949 PolarHBondContact O-OG 2.69Å; D1946-S1949 PolarHBondContact O-OG 3.33Å; E1947-S1949 VanDerWaalsContact C-N 3.27Å; E1947-S1949 PolarHBondContact O-N 3.14Å; S1949-F1952 WeakPolarHBondContact O-CB 3.39Å; S1949-F1952 PolarHBondContact O-N 3.43Å; S1949-D1953 WeakPolarHBondContact O-CB 3.49Å; S1949-D1953 PolarHBondContact O-N 3.05Å
1950K83.7Confident81.3Confident157.4 Ų157.444.9 Ų44.968%0.68422%0.223SC*.Hα-helixtrans-66.8-44.6175.7-65.4172.4-174.7172.70111D1946 E1947 D1948 F1952 D1953 A1954D1946-K1950 WeakPolarHBondContact O-CG 3.38Å; D1946-K1950 PolarHBondContact O-N 3.07Å; E1947-K1950 WeakPolarHBondContact O-CB 3.3Å; E1947-K1950 PolarHBondContact O-N 3.04Å; E1947-K1950 VanDerWaalsContact O-N 3.15Å; D1948-K1950 VanDerWaalsContact C-N 3.32Å; D1948-K1950 PolarHBondContact O-N 3.05Å; K1950-F1952 VanDerWaalsContact C-N 3.34Å; K1950-F1952 PolarHBondContact O-N 3.1Å; K1950-D1953 PolarHBondContact O-N 3.2Å; K1950-A1954 WeakPolarHBondContact O-CB 3.05Å; K1950-A1954 PolarHBondContact O-N 3.1Å
1951T82.1Confident80.6Confident33 Ų3350.6 Ų50.620%0.20225%0.252CS..Hα-helixtrans-62.4-42.4176.1-55.70000111.4D1885 T1886 L1887 E1947 D1948 D1953 A1954 L1955D1885-T1951 HydrophobicContact CB-CG2 4.14Å; D1885-T1951 WeakPolarHBondContact O-CG2 3.36Å; T1886-T1951 HydrophobicContact CG2-CG2 4.46Å; L1887-T1951 HydrophobicContact CD2-CG2 4.09Å; L1887-T1951 HydrophobicContact CG-CG2 4.44Å; E1947-T1951 PolarHBondContact O-N 3.12Å; E1947-T1951 PolarHBondContact O-OG1 3.35Å; D1948-T1951 PolarHBondContact O-N 3.27Å; T1951-D1953 PolarHBondContact O-N 3.04Å; T1951-A1954 WeakPolarHBondContact O-CB 3.27Å; T1951-A1954 PolarHBondContact O-N 2.99Å; T1951-L1955 HydrophobicContact CG2-CD1 4.18Å; T1951-L1955 HydrophobicContact CG2-CG 4.49Å; T1951-L1955 WeakPolarHBondContact O-CB 3.48Å; T1951-L1955 VanDerWaalsContact O-CG 3.3Å; T1951-L1955 WeakPolarHBondContact O-CG 3.31Å; T1951-L1955 PolarHBondContact O-N 3.03Å
1952F83.3Confident79.7Confident0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-60.7-46.8176.1174.6-96.7000111.9F1867 L1887 W1895 L1936 R1937 C1940 L1941 L1944 D1948 S1949 K1950 A1954 L1955 L1956F1867-F1952 HydrophobicContact CE1-CB 4.38Å; F1867-F1952 AromaticContact CE1-CD2 3.84Å; F1867-F1952 HydrophobicContact CE1-CD2 3.84Å; F1867-F1952 HydrophobicContact CE1-CE2 4.28Å; F1867-F1952 AromaticContact CE2-CD2 3.78Å; F1867-F1952 HydrophobicContact CE2-CD2 3.92Å; F1867-F1952 AromaticContact CE2-CE2 3.64Å; F1867-F1952 HydrophobicContact CE2-CE2 3.64Å; F1867-F1952 HydrophobicContact CZ-CB 4.19Å; F1867-F1952 AromaticContact CZ-CD2 3.37Å; F1867-F1952 HydrophobicContact CZ-CD2 3.37Å; F1867-F1952 VanDerWaalsContact CZ-CD2 3.45Å; F1867-F1952 AromaticContact CZ-CE2 3.48Å; F1867-F1952 HydrophobicContact CZ-CE2 3.48Å; F1867-F1952 VanDerWaalsContact CZ-CE2 3.43Å; F1867-F1952 AromaticContact CZ-CG 3.97Å; F1867-F1952 HydrophobicContact CZ-CG 4.18Å; L1887-F1952 HydrophobicContact CD2-CB 4.23Å; W1895-F1952 HydrophobicContact CH2-CD2 4.24Å; W1895-F1952 HydrophobicContact CH2-CE2 4.33Å; W1895-F1952 HydrophobicContact CZ3-CE2 4.38Å; L1936-F1952 HydrophobicContact CB-CZ 4.36Å; R1937-F1952 HydrophobicContact CG-CE1 4.29Å; C1940-F1952 HydrophobicContact CB-CE1 4.38Å; C1940-F1952 HydrophobicContact CB-CE2 3.97Å; C1940-F1952 HydrophobicContact CB-CZ 3.77Å; L1941-F1952 HydrophobicContact CD2-CD1 3.76Å; L1941-F1952 HydrophobicContact CD2-CE1 3.92Å; L1941-F1952 HydrophobicContact CG-CE1 4.33Å; L1944-F1952 HydrophobicContact CD1-CB 3.49Å; L1944-F1952 VanDerWaalsContact CD1-CB 3.46Å; L1944-F1952 HydrophobicContact CD1-CD1 3.92Å; L1944-F1952 HydrophobicContact CD1-CD2 3.86Å; L1944-F1952 HydrophobicContact CD1-CE1 4.48Å; L1944-F1952 HydrophobicContact CD1-CE2 4.47Å; L1944-F1952 HydrophobicContact CD1-CG 3.5Å; L1944-F1952 VanDerWaalsContact CD1-CG 3.48Å; D1948-F1952 VanDerWaalsContact O-CB 3.25Å; D1948-F1952 WeakPolarHBondContact O-CB 3.26Å; D1948-F1952 PolarHBondContact O-N 3.07Å; S1949-F1952 WeakPolarHBondContact O-CB 3.39Å; S1949-F1952 PolarHBondContact O-N 3.43Å; K1950-F1952 VanDerWaalsContact C-N 3.34Å; K1950-F1952 PolarHBondContact O-N 3.1Å; F1952-A1954 VanDerWaalsContact C-N 3.31Å; F1952-A1954 PolarHBondContact O-N 3.17Å; F1952-L1955 PolarHBondContact O-N 2.93Å; F1952-L1956 HydrophobicContact CD1-CD1 3.86Å; F1952-L1956 HydrophobicContact CD1-CG 4.33Å; F1952-L1956 HydrophobicContact CE1-CD1 3.32Å; F1952-L1956 VanDerWaalsContact CE1-CD1 3.45Å; F1952-L1956 HydrophobicContact CE1-CG 4.02Å; F1952-L1956 HydrophobicContact CZ-CD1 3.74Å; F1952-L1956 HydrophobicContact CZ-CD2 4.33Å; F1952-L1956 HydrophobicContact CZ-CG 4.12Å; F1952-L1956 WeakPolarHBondContact O-CG 3.35Å; F1952-L1956 PolarHBondContact O-N 3.27Å
1953D81.7Confident78.8Confident39.2 Ų39.256.1 Ų56.121%0.2128%0.283CS..Hα-helixtrans-65.2-34.6176.8-98.3-6.9000112.6R1937 S1949 K1950 T1951 L1956 R1957R1937-D1953 IonicContact CZ-OD1 3.49Å; R1937-D1953 VanDerWaalsContact CZ-OD1 3.29Å; R1937-D1953 IonicContact CZ-OD2 3.53Å; R1937-D1953 IonicContact NE-OD1 3.44Å; R1937-D1953 PolarHBondContact NE-OD1 2.92Å; R1937-D1953 VanDerWaalsContact NE-OD1 3.12Å; R1937-D1953 IonicContact NH2-OD1 3.2Å; R1937-D1953 PolarHBondContact NH2-OD1 3.16Å; R1937-D1953 VanDerWaalsContact NH2-OD1 3.12Å; R1937-D1953 IonicContact NH2-OD2 3.11Å; R1937-D1953 PolarHBondContact NH2-OD2 3.24Å; S1949-D1953 WeakPolarHBondContact O-CB 3.49Å; S1949-D1953 PolarHBondContact O-N 3.05Å; K1950-D1953 PolarHBondContact O-N 3.2Å; T1951-D1953 PolarHBondContact O-N 3.04Å; D1953-L1956 PolarHBondContact O-N 3.05Å; D1953-R1957 VanDerWaalsContact O-CG 3.31Å; D1953-R1957 WeakPolarHBondContact O-CG 3.37Å; D1953-R1957 PolarHBondContact O-N 3.21Å; D1953-R1957 VanDerWaalsContact O-N 3.11Å
1954A81.3Confident77.7Confident44 Ų4463.1 Ų63.136%0.36432%0.316SS..Hα-helixtrans-64.7-46.3172.700000111.6K1950 T1951 F1952 L1956 R1957 Q1958K1950-A1954 WeakPolarHBondContact O-CB 3.05Å; K1950-A1954 PolarHBondContact O-N 3.1Å; T1951-A1954 WeakPolarHBondContact O-CB 3.27Å; T1951-A1954 PolarHBondContact O-N 2.99Å; F1952-A1954 VanDerWaalsContact C-N 3.31Å; F1952-A1954 PolarHBondContact O-N 3.17Å; A1954-L1956 VanDerWaalsContact C-N 3.34Å; A1954-L1956 PolarHBondContact O-N 2.91Å; A1954-R1957 PolarHBondContact O-N 3.08Å; A1954-R1957 VanDerWaalsContact O-N 3.16Å; A1954-Q1958 VanDerWaalsContact O-CG 3.31Å; A1954-Q1958 WeakPolarHBondContact O-CG 3.38Å; A1954-Q1958 PolarHBondContact O-N 3.11Å; A1954-Q1958 VanDerWaalsContact O-N 3.09Å
1955L80.7Confident76.5Confident16.4 Ų16.465.5 Ų65.59%0.08633%0.331CS..Hα-helixtrans-63.2-39.4177-71170.9000112.2L1863 T1866 F1867 T1951 F1952 R1957 Q1958 V1959L1863-L1955 HydrophobicContact CD1-CB 4.24Å; L1863-L1955 HydrophobicContact CD2-CB 4.5Å; T1866-L1955 HydrophobicContact CG2-CD1 4.48Å; T1866-L1955 HydrophobicContact CG2-CD2 4.31Å; F1867-L1955 HydrophobicContact CD1-CD1 4.04Å; F1867-L1955 HydrophobicContact CE1-CB 4.14Å; F1867-L1955 HydrophobicContact CE1-CD1 3.66Å; F1867-L1955 VanDerWaalsContact CE1-CD1 3.47Å; F1867-L1955 HydrophobicContact CZ-CB 4.21Å; F1867-L1955 HydrophobicContact CZ-CD1 3.75Å; T1951-L1955 HydrophobicContact CG2-CD1 4.18Å; T1951-L1955 HydrophobicContact CG2-CG 4.49Å; T1951-L1955 WeakPolarHBondContact O-CB 3.48Å; T1951-L1955 VanDerWaalsContact O-CG 3.3Å; T1951-L1955 WeakPolarHBondContact O-CG 3.31Å; T1951-L1955 PolarHBondContact O-N 3.03Å; F1952-L1955 PolarHBondContact O-N 2.93Å; L1955-R1957 VanDerWaalsContact C-N 3.34Å; L1955-R1957 PolarHBondContact O-N 3.09Å; L1955-Q1958 PolarHBondContact O-N 2.89Å; L1955-V1959 WeakPolarHBondContact O-CG2 3.46Å; L1955-V1959 PolarHBondContact O-N 3.31Å; L1955-V1959 VanDerWaalsContact O-N 3.12Å
1956L81.6Confident75.4Confident1.6 Ų1.667.7 Ų67.71%0.00835%0.345CS..Hα-helixtrans-60.1-45.2174.3-77.2-178000111.9L1863 M1933 L1936 R1937 F1952 D1953 A1954 Q1958 V1959 F1960L1863-L1956 HydrophobicContact CD1-CD2 4.13Å; L1863-L1956 HydrophobicContact CD2-CD2 3.84Å; M1933-L1956 HydrophobicContact CE-CB 4.27Å; L1936-L1956 HydrophobicContact CB-CD2 4.4Å; L1936-L1956 HydrophobicContact CD1-CD2 3.91Å; R1937-L1956 HydrophobicContact CG-CD1 3.9Å; F1952-L1956 HydrophobicContact CD1-CD1 3.86Å; F1952-L1956 HydrophobicContact CD1-CG 4.33Å; F1952-L1956 HydrophobicContact CE1-CD1 3.32Å; F1952-L1956 VanDerWaalsContact CE1-CD1 3.45Å; F1952-L1956 HydrophobicContact CE1-CG 4.02Å; F1952-L1956 HydrophobicContact CZ-CD1 3.74Å; F1952-L1956 HydrophobicContact CZ-CD2 4.33Å; F1952-L1956 HydrophobicContact CZ-CG 4.12Å; F1952-L1956 WeakPolarHBondContact O-CG 3.35Å; F1952-L1956 PolarHBondContact O-N 3.27Å; D1953-L1956 PolarHBondContact O-N 3.05Å; A1954-L1956 VanDerWaalsContact C-N 3.34Å; A1954-L1956 PolarHBondContact O-N 2.91Å; L1956-Q1958 VanDerWaalsContact C-N 3.28Å; L1956-Q1958 PolarHBondContact O-N 3.21Å; L1956-V1959 PolarHBondContact O-N 3.05Å; L1956-F1960 HydrophobicContact CD2-CD2 4.38Å; L1956-F1960 HydrophobicContact CD2-CE2 4.37Å; L1956-F1960 WeakPolarHBondContact O-CB 3.35Å; L1956-F1960 PolarHBondContact O-N 3.12Å
1957R80.2Confident74.4Confident155.4 Ų155.469.1 Ų69.159%0.58636%0.36SS*.Hα-helixtrans-66-29.8177.8-70.3174.2-170.9-127.35.5112.8D1953 A1954 L1955D1953-R1957 VanDerWaalsContact O-CG 3.31Å; D1953-R1957 WeakPolarHBondContact O-CG 3.37Å; D1953-R1957 PolarHBondContact O-N 3.21Å; D1953-R1957 VanDerWaalsContact O-N 3.11Å; A1954-R1957 PolarHBondContact O-N 3.08Å; A1954-R1957 VanDerWaalsContact O-N 3.16Å; L1955-R1957 VanDerWaalsContact C-N 3.34Å; L1955-R1957 PolarHBondContact O-N 3.09Å
1958Q77Confident73.3Confident112.4 Ų112.465 Ų6553%0.52534%0.342SS..Hα-helixtrans-73.2-40.5176.2-72.9176.31.100112.5A1954 L1955 L1956 I1961A1954-Q1958 VanDerWaalsContact O-CG 3.31Å; A1954-Q1958 WeakPolarHBondContact O-CG 3.38Å; A1954-Q1958 PolarHBondContact O-N 3.11Å; A1954-Q1958 VanDerWaalsContact O-N 3.09Å; L1955-Q1958 PolarHBondContact O-N 2.89Å; L1956-Q1958 VanDerWaalsContact C-N 3.28Å; L1956-Q1958 PolarHBondContact O-N 3.21Å; Q1958-I1961 VanDerWaalsContact O-CG1 3.3Å; Q1958-I1961 WeakPolarHBondContact O-CG1 3.34Å
1959V76.9Confident71.9Confident40 Ų4069.7 Ų69.724%0.24237%0.373CS..Hα-helixtrans-80.2-38.2-179.6175.40000112.2K1859 L1863 L1955 L1956K1859-V1959 HydrophobicContact CB-CG1 3.99Å; K1859-V1959 HydrophobicContact CD-CG1 4.45Å; K1859-V1959 HydrophobicContact CG-CG1 4.28Å; L1863-V1959 HydrophobicContact CD1-CB 4.14Å; L1863-V1959 HydrophobicContact CD1-CG1 4.05Å; L1863-V1959 HydrophobicContact CD1-CG2 3.95Å; L1863-V1959 HydrophobicContact CD2-CB 3.89Å; L1863-V1959 HydrophobicContact CD2-CG1 4.35Å; L1863-V1959 HydrophobicContact CD2-CG2 3.47Å; L1863-V1959 VanDerWaalsContact CD2-CG2 3.42Å; L1863-V1959 HydrophobicContact CG-CB 4.05Å; L1863-V1959 HydrophobicContact CG-CG1 3.93Å; L1863-V1959 HydrophobicContact CG-CG2 3.88Å; L1955-V1959 WeakPolarHBondContact O-CG2 3.46Å; L1955-V1959 PolarHBondContact O-N 3.31Å; L1955-V1959 VanDerWaalsContact O-N 3.12Å; L1956-V1959 PolarHBondContact O-N 3.05Å
1960F76.3Confident70.7Confident5.6 Ų5.669.9 Ų69.93%0.02538%0.375CS..SBendtrans-107.672.5177.9-62-74.5000110.5K1859 L1863 A1929 V1932 M1933 L1936 L1956 N1962 V1963K1859-F1960 HydrophobicContact CB-CE1 4.14Å; K1859-F1960 HydrophobicContact CB-CZ 4.29Å; K1859-F1960 HydrophobicContact CD-CD1 4.38Å; K1859-F1960 HydrophobicContact CD-CE1 4.26Å; L1863-F1960 HydrophobicContact CD1-CD2 4.2Å; L1863-F1960 HydrophobicContact CD1-CE2 3.45Å; L1863-F1960 VanDerWaalsContact CD1-CE2 3.43Å; L1863-F1960 HydrophobicContact CD1-CZ 4.14Å; A1929-F1960 HydrophobicContact CB-CD1 3.82Å; A1929-F1960 HydrophobicContact CB-CE1 4.15Å; V1932-F1960 HydrophobicContact CG1-CZ 4.29Å; M1933-F1960 HydrophobicContact CE-CB 4.43Å; M1933-F1960 HydrophobicContact CG-CB 4.06Å; M1933-F1960 HydrophobicContact CG-CD1 4.39Å; M1933-F1960 HydrophobicContact CG-CD2 3.47Å; M1933-F1960 VanDerWaalsContact CG-CD2 3.44Å; M1933-F1960 HydrophobicContact CG-CE2 3.94Å; M1933-F1960 HydrophobicContact CG-CG 3.77Å; M1933-F1960 HydrophobicContact CG-CZ 4.42Å; M1933-F1960 HydrophobicContact SD-CB 3.46Å; M1933-F1960 WeakPolarHBondContact SD-CB 3.38Å; M1933-F1960 HydrophobicContact SD-CD2 3.9Å; M1933-F1960 HydrophobicContact SD-CG 3.86Å; L1936-F1960 HydrophobicContact CD1-CE2 4.1Å; L1936-F1960 HydrophobicContact CD1-CZ 4.47Å; L1956-F1960 HydrophobicContact CD2-CD2 4.38Å; L1956-F1960 HydrophobicContact CD2-CE2 4.37Å; L1956-F1960 WeakPolarHBondContact O-CB 3.35Å; L1956-F1960 PolarHBondContact O-N 3.12Å; F1960-N1962 PolarHBondContact O-N 3.17Å; F1960-V1963 HydrophobicContact CB-CB 4.37Å; F1960-V1963 HydrophobicContact CB-CG2 4.27Å; F1960-V1963 PolarHBondContact O-N 3.01Å
1961I69.9Low69.8Low119.6 Ų119.668.5 Ų68.561%0.61338%0.375SS*.THydrogen-bonded Turntrans-59.4139.4178.3-53.8172.2000109.9Q1958 V1963Q1958-I1961 VanDerWaalsContact O-CG1 3.3Å; Q1958-I1961 WeakPolarHBondContact O-CG1 3.34Å; I1961-V1963 PolarHBondContact O-N 3.2Å; I1961-V1963 VanDerWaalsContact O-N 3.11Å
1962N64.3Low69.6Low144 Ų14470.6 Ų70.677%0.7739%0.391SS*.THydrogen-bonded Turntrans66.56.8176.2-61.3-21.7000117.8F1960F1960-N1962 PolarHBondContact O-N 3.17Å
1963V64.7Low69.5Low22 Ų2270.9 Ų70.913%0.13339%0.392CS..PPolyproline II helixtrans-95.1119.7178.2-171.90000110.6E1926 A1929 S1930 M1933 F1960 I1961E1926-V1963 WeakPolarHBondContact O-CG1 3.32Å; A1929-V1963 HydrophobicContact CB-CG1 4.47Å; A1929-V1963 HydrophobicContact CB-CG2 4.14Å; S1930-V1963 VanDerWaalsContact CA-CG1 3.48Å; S1930-V1963 VanDerWaalsContact CB-CG1 3.46Å; M1933-V1963 HydrophobicContact CE-CB 3.4Å; M1933-V1963 VanDerWaalsContact CE-CB 3.47Å; M1933-V1963 HydrophobicContact CE-CG1 3.23Å; M1933-V1963 HydrophobicContact CE-CG2 4.47Å; M1933-V1963 HydrophobicContact SD-CB 4.1Å; M1933-V1963 HydrophobicContact SD-CG1 3.59Å; M1933-V1963 VanDerWaalsContact SD-CG1 3.54Å; F1960-V1963 HydrophobicContact CB-CB 4.37Å; F1960-V1963 HydrophobicContact CB-CG2 4.27Å; F1960-V1963 PolarHBondContact O-N 3.01Å; I1961-V1963 PolarHBondContact O-N 3.2Å; I1961-V1963 VanDerWaalsContact O-N 3.11Å
1964Q61Low69.5Low155.4 Ų155.470.8 Ų70.873%0.72639%0.394SS*.PPolyproline II helixtrans-75.3133.7174.9-69.9-82.1-1300110.5T1966Q1964-T1966 PolarHBondContact O-N 3.11Å
1965P57.6Low69.7Low51.2 Ų51.271.8 Ų71.833%0.33240%0.399SS..PPolyproline II helixtrans-70.4122.9176.526.5-31000111
1966T58.5Low69.9Low62 Ų6271.4 Ų71.438%0.3840%0.398SS..PPolyproline II helixtrans-88.9133169.6430000110.6Q1964Q1964-T1966 PolarHBondContact O-N 3.11Å
1967S57Low70.1Confident102.6 Ų102.671.4 Ų71.472%0.71740%0.398SS*.PPolyproline II helixtrans-90.9154.2171.453.20000111.4P1969S1967-P1969 VanDerWaalsContact O-CD 3.31Å; S1967-P1969 WeakPolarHBondContact O-CD 3.39Å
1968I57.1Low70.3Confident66.6 Ų66.668.2 Ų68.234%0.34239%0.39SS..PPolyproline II helixtrans-79.2121.3169.6-54.1175000107.9F1910 M1934 M1938 S1970F1910-I1968 HydrophobicContact CE1-CD1 4.34Å; F1910-I1968 HydrophobicContact CZ-CD1 4.13Å; M1934-I1968 HydrophobicContact CE-CB 4.36Å; M1934-I1968 HydrophobicContact CE-CD1 3.84Å; M1934-I1968 HydrophobicContact CE-CG1 3.23Å; M1934-I1968 VanDerWaalsContact CE-CG1 3.47Å; M1934-I1968 HydrophobicContact CE-CG2 4.34Å; M1938-I1968 HydrophobicContact CE-CD1 3.61Å; M1938-I1968 HydrophobicContact CG-CD1 4.29Å; M1938-I1968 HydrophobicContact SD-CD1 3.92Å; M1938-I1968 VanDerWaalsContact SD-CD1 3.56Å; M1938-I1968 WeakPolarHBondContact SD-CD1 3.22Å; M1938-I1968 HydrophobicContact SD-CG1 4.37Å; I1968-S1970 PolarHBondContact O-N 3.21Å
1969P52.1Low70.7Confident106.4 Ų106.465.7 Ų65.769%0.69139%0.385SS*.  trans-72.9113.9170.64.44.5000109.4S1967S1967-P1969 VanDerWaalsContact O-CD 3.31Å; S1967-P1969 WeakPolarHBondContact O-CD 3.39Å
1970S58.6Low71Confident32.6 Ų32.663.8 Ų63.823%0.22837%0.373CS..  trans-128.155.2170.966.20000111.3I1968 S1972 L1973 S1974I1968-S1970 PolarHBondContact O-N 3.21Å; S1970-S1972 VanDerWaalsContact C-N 3.26Å; S1970-S1972 PolarHBondContact O-N 3.21Å; S1970-S1972 VanDerWaalsContact O-N 3.09Å; S1970-L1973 PolarHBondContact O-N 3.05Å; S1970-S1974 PolarHBondContact O-N 3.02Å; S1970-S1974 VanDerWaalsContact O-N 3.13Å; S1970-S1974 PolarHBondContact O-OG 3.1Å
1971D63.2Low71.3Confident129.2 Ų129.263.5 Ų63.569%0.69137%0.372SS*.Hα-helixtrans-57.9-32.8-176.5-60.2-17.1000112.8L1973 S1974 S1975D1971-L1973 PolarHBondContact O-N 3.4Å; D1971-S1974 PolarHBondContact O-N 3.01Å; D1971-S1975 WeakPolarHBondContact O-CB 3.22Å; D1971-S1975 PolarHBondContact O-N 2.91Å; D1971-S1975 VanDerWaalsContact O-N 3.08Å; D1971-S1975 PolarHBondContact O-OG 3.21Å
1972S77.8Confident71.9Confident76.6 Ų76.662 Ų6254%0.53637%0.372SS..Hα-helixtrans-66.1-42.417858.90000113S1970 S1975 A1976S1970-S1972 VanDerWaalsContact C-N 3.26Å; S1970-S1972 PolarHBondContact O-N 3.21Å; S1970-S1972 VanDerWaalsContact O-N 3.09Å; S1972-S1975 PolarHBondContact O-OG 3.26Å; S1972-S1975 VanDerWaalsContact O-OG 3.09Å; S1972-A1976 WeakPolarHBondContact O-CB 3.27Å; S1972-A1976 PolarHBondContact O-N 2.95Å; S1972-A1976 VanDerWaalsContact O-N 3.15Å
1973L82.5Confident72.7Confident6 Ų658.3 Ų58.33%0.03136%0.361CS..Hα-helixtrans-70.8-42.7178.917963.6000110.7S1970 D1971 S1975 A1976 I1977 Q1997 Y2000 L2026 M2033S1970-L1973 PolarHBondContact O-N 3.05Å; D1971-L1973 PolarHBondContact O-N 3.4Å; L1973-S1975 VanDerWaalsContact C-N 3.33Å; L1973-S1975 PolarHBondContact O-N 3.18Å; L1973-A1976 PolarHBondContact O-N 3.05Å; L1973-A1976 VanDerWaalsContact O-N 3.15Å; L1973-I1977 HydrophobicContact CD1-CD1 4.11Å; L1973-I1977 HydrophobicContact CD1-CG1 4.23Å; L1973-I1977 HydrophobicContact CD2-CD1 4.38Å; L1973-I1977 HydrophobicContact CG-CD1 3.77Å; L1973-I1977 HydrophobicContact CG-CG1 4.33Å; L1973-I1977 WeakPolarHBondContact O-CB 3.42Å; L1973-I1977 VanDerWaalsContact O-CG1 3.27Å; L1973-I1977 WeakPolarHBondContact O-CG1 3.36Å; L1973-I1977 PolarHBondContact O-N 3.2Å; L1973-Q1997 HydrophobicContact CD2-CG 4.23Å; L1973-Y2000 HydrophobicContact CD2-CD1 3.44Å; L1973-Y2000 VanDerWaalsContact CD2-CD1 3.46Å; L1973-Y2000 HydrophobicContact CD2-CE1 3.96Å; L1973-Y2000 HydrophobicContact CD2-CG 3.9Å; L1973-L2026 HydrophobicContact CD1-CD1 4.5Å; L1973-M2033 HydrophobicContact CB-SD 4.49Å; L1973-M2033 HydrophobicContact CD1-SD 3.91Å
1974S82.1Confident73.2Confident36.6 Ų36.660.3 Ų60.326%0.25637%0.371SS..Hα-helixtrans-57-46.2178.9-54.30000112S1970 D1971 A1976 I1977 E1978 Q1997S1970-S1974 PolarHBondContact O-N 3.02Å; S1970-S1974 VanDerWaalsContact O-N 3.13Å; S1970-S1974 PolarHBondContact O-OG 3.1Å; D1971-S1974 PolarHBondContact O-N 3.01Å; S1974-A1976 PolarHBondContact O-N 3.06Å; S1974-I1977 PolarHBondContact O-N 3.02Å; S1974-E1978 PolarHBondContact O-N 2.98Å; S1974-E1978 VanDerWaalsContact O-N 3.1Å; S1974-Q1997 PolarHBondContact OG-NE2 3.12Å
1975S83.8Confident73.8Confident65.6 Ų65.654.8 Ų54.846%0.45936%0.356SS..Hα-helixtrans-66.4-37.1177.462.40000113.4D1971 S1972 L1973 I1977 E1978 S1979D1971-S1975 WeakPolarHBondContact O-CB 3.22Å; D1971-S1975 PolarHBondContact O-N 2.91Å; D1971-S1975 VanDerWaalsContact O-N 3.08Å; D1971-S1975 PolarHBondContact O-OG 3.21Å; S1972-S1975 PolarHBondContact O-OG 3.26Å; S1972-S1975 VanDerWaalsContact O-OG 3.09Å; L1973-S1975 VanDerWaalsContact C-N 3.33Å; L1973-S1975 PolarHBondContact O-N 3.18Å; S1975-I1977 VanDerWaalsContact C-N 3.34Å; S1975-E1978 PolarHBondContact O-N 3.22Å; S1975-S1979 WeakPolarHBondContact O-CB 3.39Å; S1975-S1979 PolarHBondContact O-N 2.97Å; S1975-S1979 VanDerWaalsContact O-N 3.11Å; S1975-S1979 PolarHBondContact O-OG 3.36Å
1976A85.2Confident74.5Confident8 Ų854.6 Ų54.67%0.06635%0.35CS..Hα-helixtrans-67.4-37.6175.500000112S1972 L1973 S1974 S1979 A1980 A2029 Q2032 M2033S1972-A1976 WeakPolarHBondContact O-CB 3.27Å; S1972-A1976 PolarHBondContact O-N 2.95Å; S1972-A1976 VanDerWaalsContact O-N 3.15Å; L1973-A1976 PolarHBondContact O-N 3.05Å; L1973-A1976 VanDerWaalsContact O-N 3.15Å; S1974-A1976 PolarHBondContact O-N 3.06Å; A1976-S1979 PolarHBondContact O-N 3.33Å; A1976-A1980 VanDerWaalsContact O-CB 3.32Å; A1976-A1980 WeakPolarHBondContact O-CB 3.43Å; A1976-A1980 PolarHBondContact O-N 2.89Å; A1976-A2029 HydrophobicContact CB-CB 4.18Å; A1976-Q2032 PolarHBondContact O-OE1 2.92Å; A1976-M2033 HydrophobicContact CB-CG 3.86Å; A1976-M2033 HydrophobicContact CB-SD 4.23Å
1977I85.9Confident75.2Confident0.6 Ų0.654.8 Ų54.80%0.00335%0.345CS..Hα-helixtrans-63-47.7175.4-70167.2000110.4L1973 S1974 S1975 S1979 A1980 F1981 K1993 V1996 Q1997 I2025 A2029L1973-I1977 HydrophobicContact CD1-CD1 4.11Å; L1973-I1977 HydrophobicContact CD1-CG1 4.23Å; L1973-I1977 HydrophobicContact CD2-CD1 4.38Å; L1973-I1977 HydrophobicContact CG-CD1 3.77Å; L1973-I1977 HydrophobicContact CG-CG1 4.33Å; L1973-I1977 WeakPolarHBondContact O-CB 3.42Å; L1973-I1977 VanDerWaalsContact O-CG1 3.27Å; L1973-I1977 WeakPolarHBondContact O-CG1 3.36Å; L1973-I1977 PolarHBondContact O-N 3.2Å; S1974-I1977 PolarHBondContact O-N 3.02Å; S1975-I1977 VanDerWaalsContact C-N 3.34Å; I1977-S1979 VanDerWaalsContact C-N 3.32Å; I1977-S1979 PolarHBondContact O-N 3.1Å; I1977-A1980 WeakPolarHBondContact O-CB 3.35Å; I1977-A1980 PolarHBondContact O-N 3.28Å; I1977-A1980 VanDerWaalsContact O-N 3.12Å; I1977-F1981 HydrophobicContact CG2-CD2 3.68Å; I1977-F1981 HydrophobicContact CG2-CE2 3.5Å; I1977-F1981 VanDerWaalsContact CG2-CE2 3.45Å; I1977-F1981 VanDerWaalsContact O-CD2 3.25Å; I1977-F1981 WeakPolarHBondContact O-CD2 3.37Å; I1977-F1981 PolarHBondContact O-N 3.14Å; I1977-K1993 HydrophobicContact CG2-CG 4.33Å; I1977-V1996 HydrophobicContact CD1-CB 4.11Å; I1977-V1996 HydrophobicContact CD1-CG1 3.62Å; I1977-V1996 HydrophobicContact CG1-CG1 3.82Å; I1977-V1996 HydrophobicContact CG2-CB 4.49Å; I1977-V1996 HydrophobicContact CG2-CG1 4.43Å; I1977-Q1997 HydrophobicContact CD1-CG 3.75Å; I1977-I2025 HydrophobicContact CG2-CG2 4.42Å; I1977-A2029 HydrophobicContact CG1-CB 4.12Å
1978E84.8Confident75.7Confident88.2 Ų88.252.5 Ų52.541%0.41233%0.328SS..Hα-helixtrans-60.7-40.7178.5-72.1-177.1166.500112.8S1974 S1975 A1980 F1981 S1982 K1993S1974-E1978 PolarHBondContact O-N 2.98Å; S1974-E1978 VanDerWaalsContact O-N 3.1Å; S1975-E1978 PolarHBondContact O-N 3.22Å; E1978-A1980 VanDerWaalsContact C-N 3.32Å; E1978-A1980 PolarHBondContact O-N 2.78Å; E1978-F1981 PolarHBondContact O-N 3.22Å; E1978-S1982 PolarHBondContact O-N 3.08Å; E1978-S1982 VanDerWaalsContact O-N 3.11Å; E1978-S1982 PolarHBondContact O-OG 3.08Å; E1978-K1993 HydrophobicContact CG-CD 4.29Å; E1978-K1993 VanDerWaalsContact OE1-CE 3.31Å; E1978-K1993 WeakPolarHBondContact OE1-CE 3.45Å; E1978-K1993 IonicContact OE1-NZ 2.93Å; E1978-K1993 PolarHBondContact OE1-NZ 3.21Å
1979S84.6Confident76.6Confident60.2 Ų60.251.3 Ų51.342%0.42132%0.324SS..Hα-helixtrans-64.4-39.4174.2-100.20000111.9S1975 A1976 I1977 S1982 A1983 Q2032S1975-S1979 WeakPolarHBondContact O-CB 3.39Å; S1975-S1979 PolarHBondContact O-N 2.97Å; S1975-S1979 VanDerWaalsContact O-N 3.11Å; S1975-S1979 PolarHBondContact O-OG 3.36Å; A1976-S1979 PolarHBondContact O-N 3.33Å; I1977-S1979 VanDerWaalsContact C-N 3.32Å; I1977-S1979 PolarHBondContact O-N 3.1Å; S1979-S1982 PolarHBondContact O-N 3.08Å; S1979-A1983 WeakPolarHBondContact O-CB 3.22Å; S1979-A1983 PolarHBondContact O-N 3.05Å; S1979-Q2032 VanDerWaalsContact OG-CD 3.26Å; S1979-Q2032 PolarHBondContact OG-NE2 3.16Å; S1979-Q2032 PolarHBondContact OG-OE1 3.49Å
1980A84.5Confident77.9Confident0 Ų051.4 Ų51.40%032%0.318CS..Hα-helixtrans-66.1-41176.700000112.7A1976 I1977 E1978 S1982 A1983 I1984 I2025 Q2028 A2029A1976-A1980 VanDerWaalsContact O-CB 3.32Å; A1976-A1980 WeakPolarHBondContact O-CB 3.43Å; A1976-A1980 PolarHBondContact O-N 2.89Å; I1977-A1980 WeakPolarHBondContact O-CB 3.35Å; I1977-A1980 PolarHBondContact O-N 3.28Å; I1977-A1980 VanDerWaalsContact O-N 3.12Å; E1978-A1980 VanDerWaalsContact C-N 3.32Å; E1978-A1980 PolarHBondContact O-N 2.78Å; A1980-S1982 VanDerWaalsContact C-N 3.32Å; A1980-S1982 PolarHBondContact O-N 3.33Å; A1980-A1983 PolarHBondContact O-N 3.33Å; A1980-I1984 WeakPolarHBondContact O-CD1 3.2Å; A1980-I1984 WeakPolarHBondContact O-CG1 3.32Å; A1980-I1984 PolarHBondContact O-N 3.19Å; A1980-I2025 HydrophobicContact CB-CG2 4.11Å; A1980-Q2028 HydrophobicContact CB-CB 4.01Å; A1980-Q2028 HydrophobicContact CB-CG 4Å; A1980-A2029 HydrophobicContact CB-CB 4.08Å
1981F82.9Confident78.9Confident0.8 Ų0.852.8 Ų52.80%0.00433%0.326CS..Hα-helixtrans-57.4-47.7172.5-88-79.2000111.6I1977 E1978 A1983 I1984 G1985 F1986 P1988 Q1992 K1993 I2025I1977-F1981 HydrophobicContact CG2-CD2 3.68Å; I1977-F1981 HydrophobicContact CG2-CE2 3.5Å; I1977-F1981 VanDerWaalsContact CG2-CE2 3.45Å; I1977-F1981 VanDerWaalsContact O-CD2 3.25Å; I1977-F1981 WeakPolarHBondContact O-CD2 3.37Å; I1977-F1981 PolarHBondContact O-N 3.14Å; E1978-F1981 PolarHBondContact O-N 3.22Å; F1981-A1983 VanDerWaalsContact C-N 3.33Å; F1981-A1983 PolarHBondContact O-N 3.14Å; F1981-I1984 PolarHBondContact O-N 2.96Å; F1981-G1985 PolarHBondContact O-N 3.12Å; F1981-F1986 CarbonylContact C-O 3.57Å; F1981-F1986 HydrophobicContact CD1-CB 3.8Å; F1981-F1986 HydrophobicContact CE1-CB 4.45Å; F1981-F1986 PolarHBondContact O-N 3.08Å; F1981-P1988 HydrophobicContact CB-CB 3.99Å; F1981-P1988 HydrophobicContact CB-CG 4.38Å; F1981-P1988 HydrophobicContact CD1-CB 4.06Å; F1981-P1988 HydrophobicContact CD2-CB 3.89Å; F1981-P1988 HydrophobicContact CE1-CB 4.44Å; F1981-P1988 HydrophobicContact CE2-CB 4.35Å; F1981-P1988 HydrophobicContact CG-CB 3.73Å; F1981-Q1992 HydrophobicContact CE1-CB 4.42Å; F1981-Q1992 VanDerWaalsContact CE1-OE1 3.28Å; F1981-Q1992 HydrophobicContact CZ-CB 3.78Å; F1981-K1993 HydrophobicContact CE2-CG 4.23Å; F1981-I2025 HydrophobicContact CD1-CD1 4.03Å; F1981-I2025 HydrophobicContact CD2-CG2 4.18Å; F1981-I2025 HydrophobicContact CE1-CD1 3.46Å; F1981-I2025 VanDerWaalsContact CE1-CD1 3.46Å; F1981-I2025 HydrophobicContact CE1-CG1 4.45Å; F1981-I2025 HydrophobicContact CE2-CD1 4.31Å; F1981-I2025 HydrophobicContact CE2-CG2 4.01Å; F1981-I2025 HydrophobicContact CZ-CD1 3.62Å; F1981-I2025 HydrophobicContact CZ-CG2 4.38Å
1982S81.3Confident79.8Confident87.4 Ų87.448.2 Ų48.261%0.61130%0.3SS*.Hα-helixtrans-62.8-40.4179.6-56.10000112.2E1978 S1979 A1980 I1984 G1985E1978-S1982 PolarHBondContact O-N 3.08Å; E1978-S1982 VanDerWaalsContact O-N 3.11Å; E1978-S1982 PolarHBondContact O-OG 3.08Å; S1979-S1982 PolarHBondContact O-N 3.08Å; A1980-S1982 VanDerWaalsContact C-N 3.32Å; A1980-S1982 PolarHBondContact O-N 3.33Å; S1982-I1984 VanDerWaalsContact C-N 3.33Å; S1982-I1984 PolarHBondContact O-N 3.12Å; S1982-G1985 PolarHBondContact O-N 3.13Å; S1982-G1985 VanDerWaalsContact O-N 3.12Å
1983A80.9Confident80.1Confident66.2 Ų66.246.3 Ų46.355%0.54728%0.282SS..Hα-helixtrans-66.1-32-179.600000113.7S1979 A1980 F1981 G1985 Q2028S1979-A1983 WeakPolarHBondContact O-CB 3.22Å; S1979-A1983 PolarHBondContact O-N 3.05Å; A1980-A1983 PolarHBondContact O-N 3.33Å; F1981-A1983 VanDerWaalsContact C-N 3.33Å; F1981-A1983 PolarHBondContact O-N 3.14Å; A1983-G1985 VanDerWaalsContact C-N 3.33Å; A1983-Q2028 VanDerWaalsContact CB-NE2 3.28Å
1984I76.4Confident80.2Confident64.2 Ų64.250.1 Ų50.133%0.32930%0.302SS..Hα-helixtrans-86-11.3178.4-54.7166.4000111.4A1980 F1981 S1982 F1986 I2025 Q2028A1980-I1984 WeakPolarHBondContact O-CD1 3.2Å; A1980-I1984 WeakPolarHBondContact O-CG1 3.32Å; A1980-I1984 PolarHBondContact O-N 3.19Å; F1981-I1984 PolarHBondContact O-N 2.96Å; S1982-I1984 VanDerWaalsContact C-N 3.33Å; S1982-I1984 PolarHBondContact O-N 3.12Å; I1984-F1986 HydrophobicContact CB-CD2 3.84Å; I1984-F1986 HydrophobicContact CB-CE2 4.21Å; I1984-F1986 HydrophobicContact CB-CG 4.35Å; I1984-F1986 HydrophobicContact CD1-CD2 4.1Å; I1984-F1986 HydrophobicContact CD1-CE2 4.11Å; I1984-F1986 HydrophobicContact CG1-CD2 4.45Å; I1984-F1986 HydrophobicContact CG2-CD1 4.14Å; I1984-F1986 HydrophobicContact CG2-CD2 3.48Å; I1984-F1986 VanDerWaalsContact CG2-CD2 3.47Å; I1984-F1986 HydrophobicContact CG2-CE1 3.77Å; I1984-F1986 HydrophobicContact CG2-CE2 3.36Å; I1984-F1986 VanDerWaalsContact CG2-CE2 3.42Å; I1984-F1986 HydrophobicContact CG2-CG 4.13Å; I1984-F1986 HydrophobicContact CG2-CZ 3.93Å; I1984-F1986 VanDerWaalsContact CG2-CZ 3.46Å; I1984-I2025 HydrophobicContact CD1-CG1 3.9Å; I1984-Q2028 HydrophobicContact CD1-CB 4.35Å; I1984-Q2028 HydrophobicContact CD1-CG 4.35Å; I1984-Q2028 HydrophobicContact CG1-CG 4.46Å
1985G72Confident80.4Confident40 Ų4049 Ų4941%0.41229%0.292SS..THydrogen-bonded Turntrans76.131.4-174.300000113F1981 S1982 A1983F1981-G1985 PolarHBondContact O-N 3.12Å; S1982-G1985 PolarHBondContact O-N 3.13Å; S1982-G1985 VanDerWaalsContact O-N 3.12Å; A1983-G1985 VanDerWaalsContact C-N 3.33Å
1986F73.3Confident80.6Confident47.2 Ų47.245.9 Ų45.921%0.20727%0.271CS..PPolyproline II helixtrans-100.4145.3172.3-73.1-52000110.9F1981 I1984 P1988 T2021 I2025 R2160F1981-F1986 CarbonylContact C-O 3.57Å; F1981-F1986 HydrophobicContact CD1-CB 3.8Å; F1981-F1986 HydrophobicContact CE1-CB 4.45Å; F1981-F1986 PolarHBondContact O-N 3.08Å; I1984-F1986 HydrophobicContact CB-CD2 3.84Å; I1984-F1986 HydrophobicContact CB-CE2 4.21Å; I1984-F1986 HydrophobicContact CB-CG 4.35Å; I1984-F1986 HydrophobicContact CD1-CD2 4.1Å; I1984-F1986 HydrophobicContact CD1-CE2 4.11Å; I1984-F1986 HydrophobicContact CG1-CD2 4.45Å; I1984-F1986 HydrophobicContact CG2-CD1 4.14Å; I1984-F1986 HydrophobicContact CG2-CD2 3.48Å; I1984-F1986 VanDerWaalsContact CG2-CD2 3.47Å; I1984-F1986 HydrophobicContact CG2-CE1 3.77Å; I1984-F1986 HydrophobicContact CG2-CE2 3.36Å; I1984-F1986 VanDerWaalsContact CG2-CE2 3.42Å; I1984-F1986 HydrophobicContact CG2-CG 4.13Å; I1984-F1986 HydrophobicContact CG2-CZ 3.93Å; I1984-F1986 VanDerWaalsContact CG2-CZ 3.46Å; F1986-P1988 WeakPolarHBondContact O-CD 3.34Å; F1986-T2021 HydrophobicContact CD2-CG2 4.1Å; F1986-T2021 HydrophobicContact CE1-CG2 4.42Å; F1986-T2021 HydrophobicContact CE2-CG2 3.66Å; F1986-T2021 VanDerWaalsContact CE2-CG2 3.44Å; F1986-T2021 HydrophobicContact CZ-CG2 3.94Å; F1986-I2025 HydrophobicContact CD2-CD1 4.18Å; F1986-R2160 VanDerWaalsContact CE1-CZ 3.48Å; F1986-R2160 VanDerWaalsContact CE1-NH1 3.29Å
1987F72.1Confident80.7Confident66.4 Ų66.447.4 Ų47.429%0.29128%0.276SS..PPolyproline II helixtrans-82.7119.7171.1-66.2-77.8000109.8T1989 A2156 R2159 R2160 Q2163F1987-T1989 PolarHBondContact O-N 3.32Å; F1987-A2156 HydrophobicContact CB-CB 4.38Å; F1987-R2159 HydrophobicContact CD2-CB 4.17Å; F1987-R2159 HydrophobicContact CE2-CB 3.7Å; F1987-R2159 HydrophobicContact CZ-CB 4.08Å; F1987-R2160 HydrophobicContact CD2-CB 4.4Å; F1987-R2160 HydrophobicContact CE2-CB 4.36Å; F1987-Q2163 HydrophobicContact CE2-CG 4.35Å; F1987-Q2163 VanDerWaalsContact CE2-OE1 3.31Å; F1987-Q2163 VanDerWaalsContact CZ-CD 3.5Å; F1987-Q2163 HydrophobicContact CZ-CG 4.17Å; F1987-Q2163 VanDerWaalsContact CZ-NE2 3.34Å
1988P69Low80.8Confident54 Ų5448.4 Ų48.435%0.35128%0.281SS..PPolyproline II helixtrans-71.5121.7-178.828.2-32.9000110.5F1981 F1986F1981-P1988 HydrophobicContact CB-CB 3.99Å; F1981-P1988 HydrophobicContact CB-CG 4.38Å; F1981-P1988 HydrophobicContact CD1-CB 4.06Å; F1981-P1988 HydrophobicContact CD2-CB 3.89Å; F1981-P1988 HydrophobicContact CE1-CB 4.44Å; F1981-P1988 HydrophobicContact CE2-CB 4.35Å; F1981-P1988 HydrophobicContact CG-CB 3.73Å; F1986-P1988 WeakPolarHBondContact O-CD 3.34Å
1989T75.6Confident81Confident40.4 Ų40.444.2 Ų44.225%0.24826%0.261CS..PPolyproline II helixtrans-94.1140.1165.1-34.50000109F1987 T1991 Q1992 K1993F1987-T1989 PolarHBondContact O-N 3.32Å; T1989-T1991 VanDerWaalsContact C-N 3.27Å; T1989-T1991 VanDerWaalsContact CG2-OG1 3.25Å; T1989-T1991 WeakPolarHBondContact CG2-OG1 3.43Å; T1989-T1991 PolarHBondContact O-N 3.18Å; T1989-Q1992 WeakPolarHBondContact O-CA 3.36Å; T1989-Q1992 WeakPolarHBondContact O-CB 3.36Å; T1989-Q1992 PolarHBondContact O-N 3.11Å; T1989-Q1992 VanDerWaalsContact OG1-CG 3.22Å; T1989-Q1992 WeakPolarHBondContact OG1-CG 3.41Å; T1989-Q1992 PolarHBondContact OG1-OE1 3.35Å; T1989-K1993 PolarHBondContact O-N 3.12Å; T1989-K1993 VanDerWaalsContact O-N 3.12Å
1990D79.3Confident81.3Confident108.4 Ų108.443 Ų4358%0.5825%0.248SC*.Hα-helixtrans-59.9-34.8-177.6-66.3-37.7000112.7Q1992 K1993 I1994D1990-Q1992 VanDerWaalsContact C-N 3.32Å; D1990-Q1992 PolarHBondContact O-N 3.24Å; D1990-K1993 WeakPolarHBondContact O-CB 3.37Å; D1990-K1993 PolarHBondContact O-N 3.31Å; D1990-K1993 VanDerWaalsContact O-N 3.13Å; D1990-K1993 VanDerWaalsContact OD1-CE 3.27Å; D1990-K1993 WeakPolarHBondContact OD1-CE 3.3Å; D1990-K1993 IonicContact OD1-NZ 3.09Å; D1990-K1993 PolarHBondContact OD1-NZ 3.06Å; D1990-K1993 VanDerWaalsContact OD1-NZ 3.1Å; D1990-I1994 WeakPolarHBondContact O-CG1 3.4Å; D1990-I1994 PolarHBondContact O-N 3.03Å; D1990-I1994 VanDerWaalsContact O-N 3.08Å
1991T80Confident81.3Confident63.8 Ų63.845 Ų4539%0.39126%0.257SS..Hα-helixtrans-58.2-42.617215.70000112T1989 I1994 K1995 T2151T1989-T1991 VanDerWaalsContact C-N 3.27Å; T1989-T1991 VanDerWaalsContact CG2-OG1 3.25Å; T1989-T1991 WeakPolarHBondContact CG2-OG1 3.43Å; T1989-T1991 PolarHBondContact O-N 3.18Å; T1991-I1994 PolarHBondContact O-N 3.06Å; T1991-K1995 VanDerWaalsContact O-CG 3.28Å; T1991-K1995 WeakPolarHBondContact O-CG 3.37Å; T1991-K1995 PolarHBondContact O-N 3.2Å; T1991-T2151 HydrophobicContact CG2-CG2 4.24Å; T1991-T2151 PolarHBondContact OG1-O 3.04Å
1992Q81.8Confident81.5Confident31.2 Ų31.245.1 Ų45.115%0.14626%0.258CS..Hα-helixtrans-68.5-37.5178.4-64.6177.4-17.100111.6F1981 T1989 D1990 I1994 K1995 V1996 T2151F1981-Q1992 HydrophobicContact CE1-CB 4.42Å; F1981-Q1992 VanDerWaalsContact CE1-OE1 3.28Å; F1981-Q1992 HydrophobicContact CZ-CB 3.78Å; T1989-Q1992 WeakPolarHBondContact O-CA 3.36Å; T1989-Q1992 WeakPolarHBondContact O-CB 3.36Å; T1989-Q1992 PolarHBondContact O-N 3.11Å; T1989-Q1992 VanDerWaalsContact OG1-CG 3.22Å; T1989-Q1992 WeakPolarHBondContact OG1-CG 3.41Å; T1989-Q1992 PolarHBondContact OG1-OE1 3.35Å; D1990-Q1992 VanDerWaalsContact C-N 3.32Å; D1990-Q1992 PolarHBondContact O-N 3.24Å; Q1992-I1994 VanDerWaalsContact C-N 3.35Å; Q1992-I1994 PolarHBondContact O-N 3.17Å; Q1992-K1995 PolarHBondContact O-N 3.18Å; Q1992-V1996 VanDerWaalsContact O-CG2 3.28Å; Q1992-V1996 WeakPolarHBondContact O-CG2 3.45Å; Q1992-V1996 PolarHBondContact O-N 2.97Å; Q1992-T2151 VanDerWaalsContact CG-O 3.26Å; Q1992-T2151 WeakPolarHBondContact CG-O 3.32Å; Q1992-T2151 PolarHBondContact NE2-O 3.18Å; Q1992-T2151 VanDerWaalsContact NE2-O 3.16Å
1993K83.7Confident81.9Confident37.2 Ų37.241.2 Ų41.216%0.16223%0.23CC..Hα-helixtrans-59.3-47.8174.8-62.2-179.6-168.1170.90111I1977 E1978 F1981 T1989 D1990 K1995 V1996 Q1997I1977-K1993 HydrophobicContact CG2-CG 4.33Å; E1978-K1993 HydrophobicContact CG-CD 4.29Å; E1978-K1993 VanDerWaalsContact OE1-CE 3.31Å; E1978-K1993 WeakPolarHBondContact OE1-CE 3.45Å; E1978-K1993 IonicContact OE1-NZ 2.93Å; E1978-K1993 PolarHBondContact OE1-NZ 3.21Å; F1981-K1993 HydrophobicContact CE2-CG 4.23Å; T1989-K1993 PolarHBondContact O-N 3.12Å; T1989-K1993 VanDerWaalsContact O-N 3.12Å; D1990-K1993 WeakPolarHBondContact O-CB 3.37Å; D1990-K1993 PolarHBondContact O-N 3.31Å; D1990-K1993 VanDerWaalsContact O-N 3.13Å; D1990-K1993 VanDerWaalsContact OD1-CE 3.27Å; D1990-K1993 WeakPolarHBondContact OD1-CE 3.3Å; D1990-K1993 IonicContact OD1-NZ 3.09Å; D1990-K1993 PolarHBondContact OD1-NZ 3.06Å; D1990-K1993 VanDerWaalsContact OD1-NZ 3.1Å; K1993-K1995 VanDerWaalsContact C-N 3.34Å; K1993-K1995 PolarHBondContact O-N 3.25Å; K1993-V1996 PolarHBondContact O-N 3.22Å; K1993-Q1997 WeakPolarHBondContact O-CG 3.38Å; K1993-Q1997 PolarHBondContact O-N 3.07Å
1994I84.2Confident82Confident86.2 Ų86.243.7 Ų43.744%0.44223%0.23SC..Hα-helixtrans-59.6-46.2177-65.2166.2000110.2D1990 T1991 Q1992 V1996 Q1997 E1998D1990-I1994 WeakPolarHBondContact O-CG1 3.4Å; D1990-I1994 PolarHBondContact O-N 3.03Å; D1990-I1994 VanDerWaalsContact O-N 3.08Å; T1991-I1994 PolarHBondContact O-N 3.06Å; Q1992-I1994 VanDerWaalsContact C-N 3.35Å; Q1992-I1994 PolarHBondContact O-N 3.17Å; I1994-V1996 VanDerWaalsContact C-N 3.34Å; I1994-V1996 PolarHBondContact O-N 3.21Å; I1994-Q1997 WeakPolarHBondContact O-CB 3.34Å; I1994-Q1997 PolarHBondContact O-N 3.15Å; I1994-Q1997 VanDerWaalsContact O-N 3.16Å; I1994-E1998 HydrophobicContact CG2-CG 4.38Å; I1994-E1998 WeakPolarHBondContact O-CG 3.3Å; I1994-E1998 PolarHBondContact O-N 3.14Å
1995K86.9Confident82.2Confident13.6 Ų13.643.2 Ų43.26%0.05923%0.226CC..Hα-helixtrans-66.1-32.2179.3-65.5-58.2-179.4-1730113.8T1991 Q1992 K1993 E1998 L1999 L2022 V2145 Y2146 L2147T1991-K1995 VanDerWaalsContact O-CG 3.28Å; T1991-K1995 WeakPolarHBondContact O-CG 3.37Å; T1991-K1995 PolarHBondContact O-N 3.2Å; Q1992-K1995 PolarHBondContact O-N 3.18Å; K1993-K1995 VanDerWaalsContact C-N 3.34Å; K1993-K1995 PolarHBondContact O-N 3.25Å; K1995-E1998 WeakPolarHBondContact CD-OE2 3.4Å; K1995-E1998 IonicContact NZ-OE1 2.9Å; K1995-E1998 PolarHBondContact NZ-OE1 2.83Å; K1995-E1998 VanDerWaalsContact NZ-OE1 3.1Å; K1995-E1998 IonicContact NZ-OE2 3.3Å; K1995-E1998 PolarHBondContact NZ-OE2 3.07Å; K1995-L1999 WeakPolarHBondContact O-CB 3.3Å; K1995-L1999 PolarHBondContact O-N 3.16Å; K1995-L2022 HydrophobicContact CB-CD1 3.77Å; K1995-V2145 HydrophobicContact CB-CG1 4.49Å; K1995-V2145 HydrophobicContact CD-CG1 4.34Å; K1995-Y2146 VanDerWaalsContact CE-O 3.26Å; K1995-Y2146 WeakPolarHBondContact CE-O 3.31Å; K1995-Y2146 PolarHBondContact NZ-O 3.26Å; K1995-Y2146 VanDerWaalsContact NZ-O 3.1Å; K1995-L2147 HydrophobicContact CB-CD2 3.94Å; K1995-L2147 HydrophobicContact CD-CD2 4.22Å; K1995-L2147 HydrophobicContact CG-CD2 3.78Å
1996V88.7Confident82.8Confident0.6 Ų0.643 Ų430%0.00421%0.213CC..Hα-helixtrans-68.1-39.6172.3174.80000111I1977 Q1992 K1993 I1994 L1999 Y2000 L2022 I2025 L2026I1977-V1996 HydrophobicContact CD1-CB 4.11Å; I1977-V1996 HydrophobicContact CD1-CG1 3.62Å; I1977-V1996 HydrophobicContact CG1-CG1 3.82Å; I1977-V1996 HydrophobicContact CG2-CB 4.49Å; I1977-V1996 HydrophobicContact CG2-CG1 4.43Å; Q1992-V1996 VanDerWaalsContact O-CG2 3.28Å; Q1992-V1996 WeakPolarHBondContact O-CG2 3.45Å; Q1992-V1996 PolarHBondContact O-N 2.97Å; K1993-V1996 PolarHBondContact O-N 3.22Å; I1994-V1996 VanDerWaalsContact C-N 3.34Å; I1994-V1996 PolarHBondContact O-N 3.21Å; V1996-L1999 PolarHBondContact O-N 3.13Å; V1996-Y2000 PolarHBondContact O-N 3.14Å; V1996-Y2000 VanDerWaalsContact O-N 3.09Å; V1996-L2022 HydrophobicContact CB-CD1 4.4Å; V1996-L2022 HydrophobicContact CB-CD2 4.48Å; V1996-L2022 HydrophobicContact CG2-CD1 3.49Å; V1996-L2022 VanDerWaalsContact CG2-CD1 3.49Å; V1996-L2022 HydrophobicContact CG2-CD2 4.18Å; V1996-L2022 HydrophobicContact CG2-CG 3.93Å; V1996-I2025 HydrophobicContact CG1-CG2 4.45Å; V1996-I2025 HydrophobicContact CG2-CB 4.43Å; V1996-I2025 HydrophobicContact CG2-CG2 4.25Å; V1996-L2026 HydrophobicContact CG1-CB 4.13Å; V1996-L2026 HydrophobicContact CG1-CD1 4.13Å
1997Q87.1Confident83.4Confident39.8 Ų39.841.3 Ų41.319%0.18621%0.207CC..Hα-helixtrans-64.6-47.1174.1-69.6171.2-21.500111.5L1973 S1974 I1977 K1993 I1994 L1999 Y2000 E2001L1973-Q1997 HydrophobicContact CD2-CG 4.23Å; S1974-Q1997 PolarHBondContact OG-NE2 3.12Å; I1977-Q1997 HydrophobicContact CD1-CG 3.75Å; K1993-Q1997 WeakPolarHBondContact O-CG 3.38Å; K1993-Q1997 PolarHBondContact O-N 3.07Å; I1994-Q1997 WeakPolarHBondContact O-CB 3.34Å; I1994-Q1997 PolarHBondContact O-N 3.15Å; I1994-Q1997 VanDerWaalsContact O-N 3.16Å; Q1997-L1999 VanDerWaalsContact C-N 3.29Å; Q1997-L1999 PolarHBondContact O-N 3.07Å; Q1997-Y2000 WeakPolarHBondContact O-CB 3.29Å; Q1997-Y2000 PolarHBondContact O-N 3.06Å; Q1997-Y2000 VanDerWaalsContact O-N 3.1Å; Q1997-E2001 WeakPolarHBondContact O-CG 3.43Å; Q1997-E2001 PolarHBondContact O-N 2.99Å
1998E86.8Confident84.3Confident19.6 Ų19.638.2 Ų38.29%0.09219%0.193CC..Hα-helixtrans-55.5-43.6174.8-74177.4-170.400111.4S1942 I1994 K1995 Y2000 E2001 Q2002S1942-E1998 VanDerWaalsContact CA-OE2 3.28Å; S1942-E1998 WeakPolarHBondContact CA-OE2 3.38Å; S1942-E1998 WeakPolarHBondContact CB-OE2 3.45Å; I1994-E1998 HydrophobicContact CG2-CG 4.38Å; I1994-E1998 WeakPolarHBondContact O-CG 3.3Å; I1994-E1998 PolarHBondContact O-N 3.14Å; K1995-E1998 WeakPolarHBondContact CD-OE2 3.4Å; K1995-E1998 IonicContact NZ-OE1 2.9Å; K1995-E1998 PolarHBondContact NZ-OE1 2.83Å; K1995-E1998 VanDerWaalsContact NZ-OE1 3.1Å; K1995-E1998 IonicContact NZ-OE2 3.3Å; K1995-E1998 PolarHBondContact NZ-OE2 3.07Å; E1998-Y2000 PolarHBondContact O-N 2.88Å; E1998-E2001 PolarHBondContact O-N 3.15Å; E1998-Q2002 WeakPolarHBondContact O-CB 3.3Å; E1998-Q2002 VanDerWaalsContact O-CG 3.29Å; E1998-Q2002 WeakPolarHBondContact O-CG 3.3Å; E1998-Q2002 PolarHBondContact O-N 3.06Å
1999L90.6Very high85.4Confident0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-60.8-46.1176177.764.1000111.8K1995 V1996 Q1997 E2001 Q2002 L2003 V2009 I2011 L2022 W2023 L2026 V2145K1995-L1999 WeakPolarHBondContact O-CB 3.3Å; K1995-L1999 PolarHBondContact O-N 3.16Å; V1996-L1999 PolarHBondContact O-N 3.13Å; Q1997-L1999 VanDerWaalsContact C-N 3.29Å; Q1997-L1999 PolarHBondContact O-N 3.07Å; L1999-E2001 VanDerWaalsContact C-N 3.33Å; L1999-E2001 PolarHBondContact O-N 3.33Å; L1999-Q2002 PolarHBondContact O-N 3.11Å; L1999-L2003 HydrophobicContact CD1-CD1 4Å; L1999-L2003 HydrophobicContact CD1-CG 4.08Å; L1999-L2003 HydrophobicContact CD2-CD1 4.24Å; L1999-L2003 HydrophobicContact CG-CD1 3.81Å; L1999-L2003 HydrophobicContact CG-CG 4.27Å; L1999-L2003 WeakPolarHBondContact O-CB 3.46Å; L1999-L2003 VanDerWaalsContact O-CG 3.27Å; L1999-L2003 WeakPolarHBondContact O-CG 3.33Å; L1999-L2003 PolarHBondContact O-N 3.13Å; L1999-V2009 HydrophobicContact CD1-CB 4.45Å; L1999-V2009 HydrophobicContact CD1-CG1 3.84Å; L1999-I2011 HydrophobicContact CD1-CD1 4.16Å; L1999-I2011 HydrophobicContact CD1-CG1 4.25Å; L1999-I2011 HydrophobicContact CD2-CD1 4.19Å; L1999-L2022 HydrophobicContact CB-CD2 3.68Å; L1999-L2022 VanDerWaalsContact CB-CD2 3.42Å; L1999-L2022 HydrophobicContact CD2-CD2 3.46Å; L1999-L2022 HydrophobicContact CD2-CG 4.04Å; L1999-L2022 HydrophobicContact CG-CD2 3.95Å; L1999-W2023 HydrophobicContact CD2-CB 3.76Å; L1999-L2026 HydrophobicContact CB-CD2 4.49Å; L1999-L2026 HydrophobicContact CD2-CD2 3.8Å; L1999-L2026 HydrophobicContact CG-CD2 3.95Å; L1999-V2145 HydrophobicContact CB-CG2 4.12Å; L1999-V2145 HydrophobicContact CD1-CG2 4.07Å
2000Y89.4Confident86.2Confident35.6 Ų35.633.7 Ų33.714%0.1417%0.165CC..Hα-helixtrans-59.9-44.9178178.5-107.5000111.8L1973 V1996 Q1997 E1998 Q2002 L2003 Q2004 L2026 L2030 W2081L1973-Y2000 HydrophobicContact CD2-CD1 3.44Å; L1973-Y2000 VanDerWaalsContact CD2-CD1 3.46Å; L1973-Y2000 HydrophobicContact CD2-CE1 3.96Å; L1973-Y2000 HydrophobicContact CD2-CG 3.9Å; V1996-Y2000 PolarHBondContact O-N 3.14Å; V1996-Y2000 VanDerWaalsContact O-N 3.09Å; Q1997-Y2000 WeakPolarHBondContact O-CB 3.29Å; Q1997-Y2000 PolarHBondContact O-N 3.06Å; Q1997-Y2000 VanDerWaalsContact O-N 3.1Å; E1998-Y2000 PolarHBondContact O-N 2.88Å; Y2000-Q2002 PolarHBondContact O-N 3.12Å; Y2000-L2003 PolarHBondContact O-N 3.04Å; Y2000-Q2004 HydrophobicContact CD1-CG 4.5Å; Y2000-Q2004 HydrophobicContact CE1-CG 4.27Å; Y2000-Q2004 VanDerWaalsContact CE1-NE2 3.3Å; Y2000-Q2004 HydrophobicContact CE2-CG 4.39Å; Y2000-Q2004 WeakPolarHBondContact O-CG 3.36Å; Y2000-Q2004 PolarHBondContact O-N 3.22Å; Y2000-Q2004 VanDerWaalsContact O-N 3.13Å; Y2000-Q2004 PolarHBondContact OH-NE2 3.12Å; Y2000-L2026 HydrophobicContact CD2-CD1 4.02Å; Y2000-L2026 HydrophobicContact CG-CD1 4.33Å; Y2000-L2030 HydrophobicContact CD2-CD2 4.06Å; Y2000-L2030 HydrophobicContact CE2-CD2 3.63Å; Y2000-W2081 HydrophobicContact CD2-CH2 4.3Å; Y2000-W2081 HydrophobicContact CD2-CZ3 4.36Å; Y2000-W2081 AromaticContact CE2-CH2 3.97Å; Y2000-W2081 HydrophobicContact CE2-CH2 4.05Å; Y2000-W2081 AromaticContact CE2-CZ3 3.89Å; Y2000-W2081 HydrophobicContact CE2-CZ3 3.99Å
2001E84.9Confident86.9Confident42.6 Ų42.628.6 Ų28.620%0.19914%0.137CC..Hα-helixtrans-62.5-42.9177.6-69.4176.3176.200112.3M1938 Q1997 E1998 L1999 L2003 Q2004 Q2005M1938-E2001 HydrophobicContact CE-CB 3.84Å; M1938-E2001 HydrophobicContact CE-CG 3.64Å; M1938-E2001 WeakPolarHBondContact CE-OE2 3.24Å; M1938-E2001 HydrophobicContact CG-CB 4.31Å; M1938-E2001 WeakPolarHBondContact CG-OE2 3.35Å; Q1997-E2001 WeakPolarHBondContact O-CG 3.43Å; Q1997-E2001 PolarHBondContact O-N 2.99Å; E1998-E2001 PolarHBondContact O-N 3.15Å; L1999-E2001 VanDerWaalsContact C-N 3.33Å; L1999-E2001 PolarHBondContact O-N 3.33Å; E2001-L2003 VanDerWaalsContact C-N 3.35Å; E2001-L2003 PolarHBondContact O-N 2.89Å; E2001-Q2004 PolarHBondContact O-N 3.12Å; E2001-Q2005 WeakPolarHBondContact O-CG 3.36Å; E2001-Q2005 PolarHBondContact O-N 3.13Å; E2001-Q2005 PolarHBondContact O-NE2 2.95Å; E2001-Q2005 VanDerWaalsContact O-NE2 3.15Å
2002Q87.5Confident87.3Confident3 Ų326 Ų261%0.01412%0.121CC..Hα-helixtrans-66-38.4177.3-69.5-60.1-49.400112.2M1938 S1942 E1998 L1999 Y2000 Q2004 Q2005 R2006 V2009 G2143 V2145M1938-Q2002 PolarHBondContact O-NE2 3.02Å; M1938-Q2002 VanDerWaalsContact O-NE2 3.12Å; S1942-Q2002 PolarHBondContact OG-NE2 3.06Å; E1998-Q2002 WeakPolarHBondContact O-CB 3.3Å; E1998-Q2002 VanDerWaalsContact O-CG 3.29Å; E1998-Q2002 WeakPolarHBondContact O-CG 3.3Å; E1998-Q2002 PolarHBondContact O-N 3.06Å; L1999-Q2002 PolarHBondContact O-N 3.11Å; Y2000-Q2002 PolarHBondContact O-N 3.12Å; Q2002-Q2004 VanDerWaalsContact C-N 3.3Å; Q2002-Q2004 PolarHBondContact O-N 3.07Å; Q2002-Q2005 PolarHBondContact O-N 2.98Å; Q2002-R2006 PolarHBondContact O-N 3.05Å; Q2002-V2009 HydrophobicContact CB-CG1 4.03Å; Q2002-V2009 HydrophobicContact CB-CG2 3.89Å; Q2002-G2143 VanDerWaalsContact OE1-CA 3.29Å; Q2002-V2145 HydrophobicContact CG-CG2 4.34Å
2003L89.4Confident87.5Confident5.8 Ų5.824.7 Ų24.73%0.0312%0.116CC..Hα-helixtrans-67.4-28.2177.7-73.6169.9000113.3L1999 Y2000 E2001 V2009 L2026 W2081 F2083 I2125L1999-L2003 HydrophobicContact CD1-CD1 4Å; L1999-L2003 HydrophobicContact CD1-CG 4.08Å; L1999-L2003 HydrophobicContact CD2-CD1 4.24Å; L1999-L2003 HydrophobicContact CG-CD1 3.81Å; L1999-L2003 HydrophobicContact CG-CG 4.27Å; L1999-L2003 WeakPolarHBondContact O-CB 3.46Å; L1999-L2003 VanDerWaalsContact O-CG 3.27Å; L1999-L2003 WeakPolarHBondContact O-CG 3.33Å; L1999-L2003 PolarHBondContact O-N 3.13Å; Y2000-L2003 PolarHBondContact O-N 3.04Å; E2001-L2003 VanDerWaalsContact C-N 3.35Å; E2001-L2003 PolarHBondContact O-N 2.89Å; L2003-V2009 HydrophobicContact CD2-CB 4.19Å; L2003-V2009 HydrophobicContact CD2-CG2 3.76Å; L2003-V2009 HydrophobicContact CG-CG2 4.13Å; L2003-L2026 HydrophobicContact CD1-CD2 3.7Å; L2003-W2081 HydrophobicContact CB-CH2 4.42Å; L2003-W2081 HydrophobicContact CB-CZ2 4.12Å; L2003-F2083 HydrophobicContact CD1-CE1 4.28Å; L2003-F2083 HydrophobicContact CD1-CE2 4.36Å; L2003-F2083 HydrophobicContact CD1-CZ 3.93Å; L2003-I2125 HydrophobicContact CD1-CD1 4.25Å; L2003-I2125 HydrophobicContact CD2-CD1 4.2Å; L2003-I2125 HydrophobicContact CD2-CG1 3.88Å
2004Q83.6Confident87.6Confident118 Ų11827.6 Ų27.655%0.55113%0.13SC*.Hα-helixtrans-74.3-32.9172.9-71-157.3-19.900112.5Y2000 E2001 Q2002Y2000-Q2004 HydrophobicContact CD1-CG 4.5Å; Y2000-Q2004 HydrophobicContact CE1-CG 4.27Å; Y2000-Q2004 VanDerWaalsContact CE1-NE2 3.3Å; Y2000-Q2004 HydrophobicContact CE2-CG 4.39Å; Y2000-Q2004 WeakPolarHBondContact O-CG 3.36Å; Y2000-Q2004 PolarHBondContact O-N 3.22Å; Y2000-Q2004 VanDerWaalsContact O-N 3.13Å; Y2000-Q2004 PolarHBondContact OH-NE2 3.12Å; E2001-Q2004 PolarHBondContact O-N 3.12Å; Q2002-Q2004 VanDerWaalsContact C-N 3.3Å; Q2002-Q2004 PolarHBondContact O-N 3.07Å
2005Q79.5Confident87.4Confident53 Ų5327.7 Ų27.725%0.24814%0.139CC..Hα-helixtrans-83.8-39.8-176.1-69.8172.334.500113.1N1906 M1938 N1939 E2001 Q2002N1906-Q2005 PolarHBondContact ND2-OE1 3.02Å; M1938-Q2005 HydrophobicContact CE-CG 4.47Å; M1938-Q2005 PolarHBondContact SD-NE2 3.06Å; N1939-Q2005 PolarHBondContact OD1-OE1 3.17Å; E2001-Q2005 WeakPolarHBondContact O-CG 3.36Å; E2001-Q2005 PolarHBondContact O-N 3.13Å; E2001-Q2005 PolarHBondContact O-NE2 2.95Å; E2001-Q2005 VanDerWaalsContact O-NE2 3.15Å; Q2002-Q2005 PolarHBondContact O-N 2.98Å
2006R84.4Confident87Confident36.4 Ų36.428.4 Ų28.414%0.13715%0.15CC..  trans-129.4142.3-170.2-64.5-178-178.6-135.82.3111.3S1902 Q2002 G2008 S2140 R2141 M2142 G2143S1902-R2006 PolarHBondContact OG-NH2 3.12Å; Q2002-R2006 PolarHBondContact O-N 3.05Å; R2006-G2008 VanDerWaalsContact C-N 3.28Å; R2006-G2008 PolarHBondContact O-N 3.24Å; R2006-S2140 PolarHBondContact NH1-O 3.29Å; R2006-R2141 PolarHBondContact NH1-O 2.91Å; R2006-M2142 VanDerWaalsContact CD-C 3.46Å; R2006-M2142 PolarHBondContact NH1-O 3.21Å; R2006-G2143 VanDerWaalsContact CD-N 3.27Å
2007T87.5Confident86.6Confident12 Ų1228.7 Ų28.77%0.07415%0.152CC..SBendtrans-66.2-27.6177.4-48.20000112.1V2101 K2106 I2118 V2122 S2123 F2124T2007-V2101 HydrophobicContact CG2-CG1 4.33Å; T2007-K2106 WeakPolarHBondContact OG1-CD 3.31Å; T2007-K2106 VanDerWaalsContact OG1-CE 3.27Å; T2007-K2106 WeakPolarHBondContact OG1-CE 3.37Å; T2007-K2106 PolarHBondContact OG1-NZ 3.04Å; T2007-K2106 VanDerWaalsContact OG1-NZ 3.16Å; T2007-I2118 HydrophobicContact CG2-CG2 4.37Å; T2007-V2122 WeakPolarHBondContact CG2-O 3.43Å; T2007-S2123 CarbonylContact O-C 3.53Å; T2007-S2123 WeakPolarHBondContact O-CA 3.41Å; T2007-F2124 HydrophobicContact CG2-CD2 4.14Å; T2007-F2124 HydrophobicContact CG2-CE2 4.41Å; T2007-F2124 PolarHBondContact O-N 3.07Å
2008G90.2Very high86.3Confident1 Ų127.6 Ų27.61%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-124.5133178.400000112.1R2006 F2124 M2142 G2143R2006-G2008 VanDerWaalsContact C-N 3.28Å; R2006-G2008 PolarHBondContact O-N 3.24Å; G2008-F2124 CarbonylContact C-O 3.46Å; G2008-F2124 WeakPolarHBondContact CA-O 3.37Å; G2008-M2142 CarbonylContact O-C 3.55Å; G2008-M2142 VanDerWaalsContact O-CA 3.28Å; G2008-M2142 WeakPolarHBondContact O-CA 3.39Å; G2008-G2143 PolarHBondContact O-N 3.16Å
2009V92.3Very high86.3Confident0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-130.5133.5178.7-177.60000110.1L1999 Q2002 L2003 F2124 I2125 F2126 G2143 V2145L1999-V2009 HydrophobicContact CD1-CB 4.45Å; L1999-V2009 HydrophobicContact CD1-CG1 3.84Å; Q2002-V2009 HydrophobicContact CB-CG1 4.03Å; Q2002-V2009 HydrophobicContact CB-CG2 3.89Å; L2003-V2009 HydrophobicContact CD2-CB 4.19Å; L2003-V2009 HydrophobicContact CD2-CG2 3.76Å; L2003-V2009 HydrophobicContact CG-CG2 4.13Å; V2009-F2124 PolarHBondContact N-O 3.03Å; V2009-I2125 CarbonylContact O-C 3.48Å; V2009-I2125 WeakPolarHBondContact O-CA 3.32Å; V2009-F2126 PolarHBondContact O-N 3.04Å; V2009-G2143 CarbonylContact C-O 3.54Å; V2009-G2143 WeakPolarHBondContact CA-O 3.36Å; V2009-V2145 HydrophobicContact CG1-CG2 4.19Å
2010I92.7Very high86.2Confident0.2 Ų0.229.5 Ų29.50%0.00116%0.163CC..EExtended strand (participates in β ladder)trans-103.2125.5175.5-58169.8000109.1L2012 I2090 F2126 C2128 L2131 M2142 G2143 F2144 V2145I2010-L2012 HydrophobicContact CG2-CD2 3.52Å; I2010-L2012 HydrophobicContact CG2-CG 3.84Å; I2010-I2090 HydrophobicContact CD1-CD1 3.65Å; I2010-I2090 HydrophobicContact CG1-CD1 4.04Å; I2010-I2090 HydrophobicContact CG2-CD1 4.48Å; I2010-F2126 CarbonylContact C-O 3.51Å; I2010-F2126 WeakPolarHBondContact CA-O 3.43Å; I2010-F2126 HydrophobicContact CB-CB 4.44Å; I2010-F2126 HydrophobicContact CG1-CB 4.05Å; I2010-F2126 HydrophobicContact CG1-CD2 4.33Å; I2010-F2126 HydrophobicContact CG1-CG 4.47Å; I2010-F2126 HydrophobicContact CG2-CB 4.39Å; I2010-C2128 HydrophobicContact CG2-CB 4.35Å; I2010-L2131 HydrophobicContact CD1-CD2 4.27Å; I2010-L2131 HydrophobicContact CG2-CD2 4.47Å; I2010-M2142 HydrophobicContact CD1-CB 4.1Å; I2010-M2142 HydrophobicContact CD1-CE 3.86Å; I2010-M2142 HydrophobicContact CD1-CG 4.37Å; I2010-M2142 HydrophobicContact CD1-SD 3.45Å; I2010-M2142 WeakPolarHBondContact CD1-SD 3.44Å; I2010-M2142 HydrophobicContact CG1-CB 4.18Å; I2010-M2142 HydrophobicContact CG1-CE 3.51Å; I2010-M2142 HydrophobicContact CG1-CG 4.48Å; I2010-M2142 HydrophobicContact CG1-SD 3.7Å; I2010-M2142 VanDerWaalsContact CG1-SD 3.51Å; I2010-M2142 WeakPolarHBondContact CG1-SD 3.4Å; I2010-G2143 PolarHBondContact N-O 3.08Å; I2010-F2144 HydrophobicContact CB-CD1 3.87Å; I2010-F2144 HydrophobicContact CB-CE1 3.79Å; I2010-F2144 HydrophobicContact CB-CZ 4.48Å; I2010-F2144 HydrophobicContact CD1-CD1 4.36Å; I2010-F2144 HydrophobicContact CD1-CE1 3.44Å; I2010-F2144 VanDerWaalsContact CD1-CE1 3.45Å; I2010-F2144 HydrophobicContact CD1-CZ 3.62Å; I2010-F2144 HydrophobicContact CG1-CE1 4.12Å; I2010-F2144 HydrophobicContact CG1-CZ 4.44Å; I2010-F2144 HydrophobicContact CG2-CD1 4.3Å; I2010-F2144 HydrophobicContact CG2-CE1 4.16Å; I2010-F2144 CarbonylContact O-C 3.57Å; I2010-F2144 VanDerWaalsContact O-CA 3.28Å; I2010-F2144 WeakPolarHBondContact O-CA 3.26Å; I2010-V2145 PolarHBondContact O-N 2.99Å
2011I93Very high86.1Confident0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-96.6109.7169.2-49.4178.3000107.5L1999 K2019 L2022 W2023 I2125 F2126 C2128 V2145 L2147L1999-I2011 HydrophobicContact CD1-CD1 4.16Å; L1999-I2011 HydrophobicContact CD1-CG1 4.25Å; L1999-I2011 HydrophobicContact CD2-CD1 4.19Å; I2011-K2019 HydrophobicContact CB-CD 4.48Å; I2011-K2019 HydrophobicContact CG2-CB 3.96Å; I2011-K2019 HydrophobicContact CG2-CD 4.29Å; I2011-K2019 HydrophobicContact CG2-CG 3.78Å; I2011-K2019 VanDerWaalsContact O-CD 3.31Å; I2011-K2019 WeakPolarHBondContact O-CD 3.39Å; I2011-L2022 HydrophobicContact CD1-CD2 4.46Å; I2011-L2022 HydrophobicContact CG2-CD2 4.47Å; I2011-W2023 HydrophobicContact CD1-CB 4.49Å; I2011-I2125 HydrophobicContact CD1-CG2 3.71Å; I2011-I2125 HydrophobicContact CG1-CG2 4.1Å; I2011-F2126 PolarHBondContact N-O 3.31Å; I2011-C2128 PolarHBondContact O-N 3.06Å; I2011-V2145 CarbonylContact C-O 3.52Å; I2011-V2145 WeakPolarHBondContact CA-O 3.36Å; I2011-L2147 HydrophobicContact CG2-CD1 3.88Å; I2011-L2147 HydrophobicContact CG2-CG 4.29Å
2012L89.8Confident86.3Confident9.6 Ų9.628.5 Ų28.55%0.0516%0.163CC..EExtended strand (participates in β ladder)trans-100.3132-178.6-104.3139.4000110.5H1892 I2010 C2128 L2131 F2144 V2145 Y2146 L2147H1892-L2012 HydrophobicContact CB-CD1 4.21Å; I2010-L2012 HydrophobicContact CG2-CD2 3.52Å; I2010-L2012 HydrophobicContact CG2-CG 3.84Å; L2012-C2128 WeakPolarHBondContact CA-O 3.29Å; L2012-C2128 HydrophobicContact CD1-CB 4.45Å; L2012-C2128 HydrophobicContact CD2-CB 3.99Å; L2012-L2131 HydrophobicContact CD1-CD1 3.79Å; L2012-L2131 HydrophobicContact CD1-CG 4.24Å; L2012-L2131 HydrophobicContact CD2-CD1 3.8Å; L2012-L2131 HydrophobicContact CD2-CD2 4.02Å; L2012-L2131 HydrophobicContact CD2-CG 3.64Å; L2012-L2131 HydrophobicContact CG-CD1 4.32Å; L2012-F2144 HydrophobicContact CD1-CD1 3.72Å; L2012-F2144 HydrophobicContact CD1-CE1 4.09Å; L2012-F2144 HydrophobicContact CG-CD1 4.18Å; L2012-V2145 PolarHBondContact N-O 3.34Å; L2012-Y2146 HydrophobicContact CB-CD2 4.17Å; L2012-Y2146 HydrophobicContact CD2-CD2 3.98Å; L2012-Y2146 HydrophobicContact CD2-CE2 4.35Å; L2012-Y2146 HydrophobicContact CG-CD2 4.21Å; L2012-Y2146 HydrophobicContact CG-CE2 4.49Å; L2012-L2147 PolarHBondContact O-N 3.01Å
2013G86.3Confident86.5Confident4.6 Ų4.628.9 Ų28.95%0.04716%0.164CC..  trans170.6163.1173.200000112K2019 C2128 T2129 L2147G2013-K2019 WeakPolarHBondContact O-CE 3.42Å; G2013-K2019 PolarHBondContact O-NZ 3.21Å; G2013-C2128 PolarHBondContact N-O 3.08Å; G2013-C2128 VanDerWaalsContact N-O 3.16Å; G2013-T2129 WeakPolarHBondContact O-CA 3.35Å; G2013-L2147 WeakPolarHBondContact CA-O 3.29Å
2014Q84Confident86.5Confident97.2 Ų97.233.6 Ų33.645%0.45419%0.185SC..  trans-63.7164.5178.3-65.8-173.64.700112.3G2016 S2017 K2019 T2149Q2014-G2016 PolarHBondContact O-N 3.19Å; Q2014-S2017 WeakPolarHBondContact O-CB 3.41Å; Q2014-S2017 PolarHBondContact O-N 3.29Å; Q2014-S2017 VanDerWaalsContact O-N 3.15Å; Q2014-S2017 PolarHBondContact O-OG 3.32Å; Q2014-K2019 WeakPolarHBondContact O-CE 3.26Å; Q2014-K2019 PolarHBondContact O-NZ 3.14Å; Q2014-K2019 VanDerWaalsContact O-NZ 3.09Å; Q2014-T2149 HydrophobicContact CG-CG2 4.27Å; Q2014-T2149 VanDerWaalsContact OE1-CG2 3.3Å
2015S81.6Confident86.8Confident89.6 Ų89.628.1 Ų28.163%0.62716%0.159SC*.THydrogen-bonded Turntrans-59.7131.5172.9-171.50000110.3
2016G77Confident87.3Confident27 Ų2725.6 Ų25.628%0.27815%0.147SC..THydrogen-bonded Turntrans83.31.4-176.700000116.4Q2014 G2018 H2202Q2014-G2016 PolarHBondContact O-N 3.19Å; G2016-G2018 PolarHBondContact O-N 3.13Å; G2016-G2018 VanDerWaalsContact O-N 3.14Å; G2016-H2202 VanDerWaalsContact CA-CD2 3.46Å; G2016-H2202 WeakPolarHBondContact CA-CD2 3.38Å
2017S80.5Confident87.6Confident8 Ų826.1 Ų26.16%0.05615%0.152CC..SBendtrans-68.5-3.117459.90000114.7Q2014 T2151 V2152Q2014-S2017 WeakPolarHBondContact O-CB 3.41Å; Q2014-S2017 PolarHBondContact O-N 3.29Å; Q2014-S2017 VanDerWaalsContact O-N 3.15Å; Q2014-S2017 PolarHBondContact O-OG 3.32Å; S2017-T2151 PolarHBondContact O-OG1 3Å; S2017-T2151 VanDerWaalsContact O-OG1 3.12Å; S2017-V2152 VanDerWaalsContact O-CG2 3.3Å; S2017-V2152 WeakPolarHBondContact O-CG2 3.28Å
2018G81.3Confident87.5Confident16.8 Ų16.828.8 Ų28.817%0.17316%0.164CC..SBendtrans93.312.6178.700000115.5G2016 T2020 T2021 L2022G2016-G2018 PolarHBondContact O-N 3.13Å; G2016-G2018 VanDerWaalsContact O-N 3.14Å; G2018-T2020 PolarHBondContact O-N 3.05Å; G2018-T2021 VanDerWaalsContact C-OG1 3.26Å; G2018-T2021 WeakPolarHBondContact CA-OG1 3.39Å; G2018-T2021 CarbonylContact O-C 3.05Å; G2018-T2021 WeakPolarHBondContact O-CA 3.42Å; G2018-T2021 VanDerWaalsContact O-CB 3.31Å; G2018-T2021 WeakPolarHBondContact O-CB 3.28Å; G2018-T2021 PolarHBondContact O-N 3.15Å; G2018-T2021 PolarHBondContact O-OG1 3.09Å; G2018-L2022 VanDerWaalsContact O-CB 3.29Å; G2018-L2022 WeakPolarHBondContact O-CB 3.42Å; G2018-L2022 PolarHBondContact O-N 3.23Å
2019K87.8Confident87.4Confident17.2 Ų17.228.7 Ų28.78%0.07516%0.164CC..Hα-helixtrans-45.7-56.3177.9-62.6-171-69.7-95.80113.3I2011 G2013 Q2014 T2021 L2022 E2127 C2128 L2147I2011-K2019 HydrophobicContact CB-CD 4.48Å; I2011-K2019 HydrophobicContact CG2-CB 3.96Å; I2011-K2019 HydrophobicContact CG2-CD 4.29Å; I2011-K2019 HydrophobicContact CG2-CG 3.78Å; I2011-K2019 VanDerWaalsContact O-CD 3.31Å; I2011-K2019 WeakPolarHBondContact O-CD 3.39Å; G2013-K2019 WeakPolarHBondContact O-CE 3.42Å; G2013-K2019 PolarHBondContact O-NZ 3.21Å; Q2014-K2019 WeakPolarHBondContact O-CE 3.26Å; Q2014-K2019 PolarHBondContact O-NZ 3.14Å; Q2014-K2019 VanDerWaalsContact O-NZ 3.09Å; K2019-T2021 VanDerWaalsContact C-N 3.32Å; K2019-T2021 PolarHBondContact O-N 3.1Å; K2019-L2022 WeakPolarHBondContact O-CB 3.35Å; K2019-L2022 PolarHBondContact O-N 3.26Å; K2019-E2127 HydrophobicContact CB-CG 4.26Å; K2019-E2127 VanDerWaalsContact CB-OE2 3.28Å; K2019-E2127 WeakPolarHBondContact CB-OE2 3.38Å; K2019-E2127 HydrophobicContact CD-CB 4.35Å; K2019-C2128 VanDerWaalsContact NZ-C 3.34Å; K2019-C2128 PolarHBondContact NZ-O 2.86Å; K2019-L2147 HydrophobicContact CB-CD1 4.38Å; K2019-L2147 HydrophobicContact CG-CD1 3.81Å
2020T88.5Confident87.2Confident42.4 Ų42.428.7 Ų28.726%0.2616%0.164SC..Hα-helixtrans-67.9-32.9-178.8-34.90000112.6G2018 L2022 W2023 K2024 E2127G2018-T2020 PolarHBondContact O-N 3.05Å; T2020-L2022 VanDerWaalsContact C-N 3.32Å; T2020-W2023 HydrophobicContact CG2-CZ2 3.98Å; T2020-W2023 PolarHBondContact O-NE1 3.17Å; T2020-K2024 HydrophobicContact CG2-CD 4.33Å; T2020-K2024 WeakPolarHBondContact O-CB 3.32Å; T2020-K2024 WeakPolarHBondContact O-CD 3.31Å; T2020-K2024 VanDerWaalsContact O-CG 3.24Å; T2020-K2024 WeakPolarHBondContact O-CG 3.4Å; T2020-K2024 PolarHBondContact O-N 3.36Å; T2020-E2127 WeakPolarHBondContact CA-OE1 3.45Å; T2020-E2127 VanDerWaalsContact CA-OE2 3.28Å; T2020-E2127 WeakPolarHBondContact CA-OE2 3.43Å; T2020-E2127 WeakPolarHBondContact CB-OE2 3.39Å; T2020-E2127 WeakPolarHBondContact CG2-OE1 3.41Å; T2020-E2127 PolarHBondContact N-OE2 3.25Å; T2020-E2127 VanDerWaalsContact N-OE2 3.1Å; T2020-E2127 PolarHBondContact OG1-OE1 3.05Å; T2020-E2127 PolarHBondContact OG1-OE2 3.22Å
2021T86.4Confident86.9Confident46.4 Ų46.432.1 Ų32.129%0.28519%0.187SC..Hα-helixtrans-69.7-34.9178-14.50000111.1F1986 G2018 K2019 K2024 I2025F1986-T2021 HydrophobicContact CD2-CG2 4.1Å; F1986-T2021 HydrophobicContact CE1-CG2 4.42Å; F1986-T2021 HydrophobicContact CE2-CG2 3.66Å; F1986-T2021 VanDerWaalsContact CE2-CG2 3.44Å; F1986-T2021 HydrophobicContact CZ-CG2 3.94Å; G2018-T2021 VanDerWaalsContact C-OG1 3.26Å; G2018-T2021 WeakPolarHBondContact CA-OG1 3.39Å; G2018-T2021 CarbonylContact O-C 3.05Å; G2018-T2021 WeakPolarHBondContact O-CA 3.42Å; G2018-T2021 VanDerWaalsContact O-CB 3.31Å; G2018-T2021 WeakPolarHBondContact O-CB 3.28Å; G2018-T2021 PolarHBondContact O-N 3.15Å; G2018-T2021 PolarHBondContact O-OG1 3.09Å; K2019-T2021 VanDerWaalsContact C-N 3.32Å; K2019-T2021 PolarHBondContact O-N 3.1Å; T2021-K2024 PolarHBondContact O-N 3.32Å; T2021-I2025 HydrophobicContact CG2-CD1 3.76Å; T2021-I2025 HydrophobicContact CG2-CG1 4.29Å; T2021-I2025 WeakPolarHBondContact O-CB 3.43Å; T2021-I2025 VanDerWaalsContact O-CD1 3.32Å; T2021-I2025 WeakPolarHBondContact O-CD1 3.43Å; T2021-I2025 VanDerWaalsContact O-CG1 3.3Å; T2021-I2025 WeakPolarHBondContact O-CG1 3.34Å; T2021-I2025 PolarHBondContact O-N 3.21Å
2022L89.2Confident86.5Confident9.8 Ų9.836.7 Ų36.75%0.05121%0.209CC..Hα-helixtrans-61.2-52.4-175-165.2143.3000112.1K1995 V1996 L1999 I2011 G2018 K2019 T2020 K2024 I2025 L2026 V2145 L2147K1995-L2022 HydrophobicContact CB-CD1 3.77Å; V1996-L2022 HydrophobicContact CB-CD1 4.4Å; V1996-L2022 HydrophobicContact CB-CD2 4.48Å; V1996-L2022 HydrophobicContact CG2-CD1 3.49Å; V1996-L2022 VanDerWaalsContact CG2-CD1 3.49Å; V1996-L2022 HydrophobicContact CG2-CD2 4.18Å; V1996-L2022 HydrophobicContact CG2-CG 3.93Å; L1999-L2022 HydrophobicContact CB-CD2 3.68Å; L1999-L2022 VanDerWaalsContact CB-CD2 3.42Å; L1999-L2022 HydrophobicContact CD2-CD2 3.46Å; L1999-L2022 HydrophobicContact CD2-CG 4.04Å; L1999-L2022 HydrophobicContact CG-CD2 3.95Å; I2011-L2022 HydrophobicContact CD1-CD2 4.46Å; I2011-L2022 HydrophobicContact CG2-CD2 4.47Å; G2018-L2022 VanDerWaalsContact O-CB 3.29Å; G2018-L2022 WeakPolarHBondContact O-CB 3.42Å; G2018-L2022 PolarHBondContact O-N 3.23Å; K2019-L2022 WeakPolarHBondContact O-CB 3.35Å; K2019-L2022 PolarHBondContact O-N 3.26Å; T2020-L2022 VanDerWaalsContact C-N 3.32Å; L2022-K2024 VanDerWaalsContact C-N 3.34Å; L2022-K2024 PolarHBondContact O-N 3.41Å; L2022-I2025 PolarHBondContact O-N 3.18Å; L2022-L2026 PolarHBondContact O-N 3.02Å; L2022-L2026 VanDerWaalsContact O-N 3.09Å; L2022-V2145 HydrophobicContact CD1-CG1 4.39Å; L2022-V2145 HydrophobicContact CD2-CG1 3.97Å; L2022-L2147 HydrophobicContact CD1-CD1 4.1Å; L2022-L2147 HydrophobicContact CD1-CD2 3.72Å; L2022-L2147 HydrophobicContact CD1-CG 4.41Å; L2022-L2147 HydrophobicContact CD2-CD1 4.43Å; L2022-L2147 HydrophobicContact CD2-CD2 4.27Å
2023W91Very high86.1Confident11.4 Ų11.439.2 Ų39.24%0.04322%0.221CC..Hα-helixtrans-74.5-24.9177.969-99.5000112.9L1999 I2011 T2020 L2026 L2027 A2039 H2041 V2085 I2125 E2127L1999-W2023 HydrophobicContact CD2-CB 3.76Å; I2011-W2023 HydrophobicContact CD1-CB 4.49Å; T2020-W2023 HydrophobicContact CG2-CZ2 3.98Å; T2020-W2023 PolarHBondContact O-NE1 3.17Å; W2023-L2026 WeakPolarHBondContact O-CB 3.42Å; W2023-L2026 PolarHBondContact O-N 3.26Å; W2023-L2027 HydrophobicContact CZ3-CD1 4.5Å; W2023-L2027 HydrophobicContact CZ3-CD2 4.4Å; W2023-L2027 WeakPolarHBondContact O-CB 3.31Å; W2023-L2027 PolarHBondContact O-N 3.07Å; W2023-A2039 HydrophobicContact CE3-CB 4.43Å; W2023-A2039 HydrophobicContact CH2-CB 4.25Å; W2023-A2039 HydrophobicContact CZ3-CB 3.72Å; W2023-H2041 AromaticContact CZ2-CD2 3.9Å; W2023-V2085 HydrophobicContact CD2-CG2 4.28Å; W2023-V2085 HydrophobicContact CE3-CG2 4.37Å; W2023-V2085 HydrophobicContact CH2-CG2 4.32Å; W2023-V2085 HydrophobicContact CZ2-CB 4.49Å; W2023-V2085 HydrophobicContact CZ2-CG1 4.15Å; W2023-V2085 HydrophobicContact CZ2-CG2 4.21Å; W2023-V2085 HydrophobicContact CZ3-CG2 4.37Å; W2023-I2125 HydrophobicContact CB-CD1 4.1Å; W2023-I2125 HydrophobicContact CG-CD1 4.45Å; W2023-E2127 PolarHBondContact NE1-OE1 3.1Å
2024K90.4Very high85.8Confident104.4 Ų104.448.3 Ų48.345%0.45426%0.259SS..Hα-helixtrans-67.5-41.6172.4-77.1176179.3172.20112T2020 T2021 L2022 L2026 L2027 Q2028T2020-K2024 HydrophobicContact CG2-CD 4.33Å; T2020-K2024 WeakPolarHBondContact O-CB 3.32Å; T2020-K2024 WeakPolarHBondContact O-CD 3.31Å; T2020-K2024 VanDerWaalsContact O-CG 3.24Å; T2020-K2024 WeakPolarHBondContact O-CG 3.4Å; T2020-K2024 PolarHBondContact O-N 3.36Å; T2021-K2024 PolarHBondContact O-N 3.32Å; L2022-K2024 VanDerWaalsContact C-N 3.34Å; L2022-K2024 PolarHBondContact O-N 3.41Å; K2024-L2026 VanDerWaalsContact C-N 3.31Å; K2024-L2027 WeakPolarHBondContact O-CB 3.31Å; K2024-L2027 PolarHBondContact O-N 3.02Å; K2024-Q2028 PolarHBondContact O-N 3.17Å; K2024-Q2028 VanDerWaalsContact O-N 3.09Å
2025I89Confident85.6Confident3.8 Ų3.847.4 Ų47.42%0.01926%0.255CS..Hα-helixtrans-62.5-43.6172.5-68.6159.4000109.6I1977 A1980 F1981 I1984 F1986 V1996 T2021 L2022 L2027 Q2028 A2029I1977-I2025 HydrophobicContact CG2-CG2 4.42Å; A1980-I2025 HydrophobicContact CB-CG2 4.11Å; F1981-I2025 HydrophobicContact CD1-CD1 4.03Å; F1981-I2025 HydrophobicContact CD2-CG2 4.18Å; F1981-I2025 HydrophobicContact CE1-CD1 3.46Å; F1981-I2025 VanDerWaalsContact CE1-CD1 3.46Å; F1981-I2025 HydrophobicContact CE1-CG1 4.45Å; F1981-I2025 HydrophobicContact CE2-CD1 4.31Å; F1981-I2025 HydrophobicContact CE2-CG2 4.01Å; F1981-I2025 HydrophobicContact CZ-CD1 3.62Å; F1981-I2025 HydrophobicContact CZ-CG2 4.38Å; I1984-I2025 HydrophobicContact CD1-CG1 3.9Å; F1986-I2025 HydrophobicContact CD2-CD1 4.18Å; V1996-I2025 HydrophobicContact CG1-CG2 4.45Å; V1996-I2025 HydrophobicContact CG2-CB 4.43Å; V1996-I2025 HydrophobicContact CG2-CG2 4.25Å; T2021-I2025 HydrophobicContact CG2-CD1 3.76Å; T2021-I2025 HydrophobicContact CG2-CG1 4.29Å; T2021-I2025 WeakPolarHBondContact O-CB 3.43Å; T2021-I2025 VanDerWaalsContact O-CD1 3.32Å; T2021-I2025 WeakPolarHBondContact O-CD1 3.43Å; T2021-I2025 VanDerWaalsContact O-CG1 3.3Å; T2021-I2025 WeakPolarHBondContact O-CG1 3.34Å; T2021-I2025 PolarHBondContact O-N 3.21Å; L2022-I2025 PolarHBondContact O-N 3.18Å; I2025-L2027 VanDerWaalsContact C-N 3.33Å; I2025-L2027 PolarHBondContact O-N 3.22Å; I2025-Q2028 PolarHBondContact O-N 3.25Å; I2025-A2029 WeakPolarHBondContact O-CB 3.36Å; I2025-A2029 PolarHBondContact O-N 3.12Å
2026L90.6Very high85.5Confident0 Ų048 Ų480%026%0.255CS..Hα-helixtrans-59.4-45.8175.5-176.559000111.8L1973 V1996 L1999 Y2000 L2003 L2022 W2023 K2024 Q2028 A2029 L2030L1973-L2026 HydrophobicContact CD1-CD1 4.5Å; V1996-L2026 HydrophobicContact CG1-CB 4.13Å; V1996-L2026 HydrophobicContact CG1-CD1 4.13Å; L1999-L2026 HydrophobicContact CB-CD2 4.49Å; L1999-L2026 HydrophobicContact CD2-CD2 3.8Å; L1999-L2026 HydrophobicContact CG-CD2 3.95Å; Y2000-L2026 HydrophobicContact CD2-CD1 4.02Å; Y2000-L2026 HydrophobicContact CG-CD1 4.33Å; L2003-L2026 HydrophobicContact CD1-CD2 3.7Å; L2022-L2026 PolarHBondContact O-N 3.02Å; L2022-L2026 VanDerWaalsContact O-N 3.09Å; W2023-L2026 WeakPolarHBondContact O-CB 3.42Å; W2023-L2026 PolarHBondContact O-N 3.26Å; K2024-L2026 VanDerWaalsContact C-N 3.31Å; L2026-Q2028 VanDerWaalsContact C-N 3.29Å; L2026-Q2028 PolarHBondContact O-N 3.26Å; L2026-A2029 PolarHBondContact O-N 3.15Å; L2026-A2029 VanDerWaalsContact O-N 3.16Å; L2026-L2030 HydrophobicContact CD1-CD1 4.21Å; L2026-L2030 HydrophobicContact CD1-CD2 4.42Å; L2026-L2030 HydrophobicContact CD1-CG 4.09Å; L2026-L2030 HydrophobicContact CG-CD1 3.98Å; L2026-L2030 HydrophobicContact CG-CG 4.3Å; L2026-L2030 WeakPolarHBondContact O-CB 3.39Å; L2026-L2030 VanDerWaalsContact O-CG 3.26Å; L2026-L2030 WeakPolarHBondContact O-CG 3.34Å; L2026-L2030 PolarHBondContact O-N 3.11Å
2027L89.8Confident85.9Confident46.6 Ų46.647.9 Ų47.924%0.24425%0.249CC..Hα-helixtrans-56.1-44.4176.9-170.694.5000111.5W2023 K2024 I2025 L2030 S2031 V2037 A2039 F2083W2023-L2027 HydrophobicContact CZ3-CD1 4.5Å; W2023-L2027 HydrophobicContact CZ3-CD2 4.4Å; W2023-L2027 WeakPolarHBondContact O-CB 3.31Å; W2023-L2027 PolarHBondContact O-N 3.07Å; K2024-L2027 WeakPolarHBondContact O-CB 3.31Å; K2024-L2027 PolarHBondContact O-N 3.02Å; I2025-L2027 VanDerWaalsContact C-N 3.33Å; I2025-L2027 PolarHBondContact O-N 3.22Å; L2027-L2030 PolarHBondContact O-N 3.39Å; L2027-S2031 WeakPolarHBondContact O-CB 3.45Å; L2027-S2031 PolarHBondContact O-N 3.32Å; L2027-S2031 VanDerWaalsContact O-N 3.07Å; L2027-V2037 HydrophobicContact CD1-CB 3.6Å; L2027-V2037 HydrophobicContact CD1-CG1 3.63Å; L2027-V2037 VanDerWaalsContact CD1-CG1 3.42Å; L2027-V2037 HydrophobicContact CG-CB 4.48Å; L2027-A2039 HydrophobicContact CD1-CB 4.22Å; L2027-A2039 HydrophobicContact CD2-CB 4.39Å; L2027-F2083 HydrophobicContact CD1-CD2 4.32Å; L2027-F2083 HydrophobicContact CD1-CE2 4.43Å
2028Q86.7Confident86.2Confident68.6 Ų68.651.7 Ų51.732%0.32127%0.265SS..Hα-helixtrans-68.5-40.7178.2-169.983.6-2.300112A1980 A1983 I1984 K2024 I2025 L2026 S2031 Q2032A1980-Q2028 HydrophobicContact CB-CB 4.01Å; A1980-Q2028 HydrophobicContact CB-CG 4Å; A1983-Q2028 VanDerWaalsContact CB-NE2 3.28Å; I1984-Q2028 HydrophobicContact CD1-CB 4.35Å; I1984-Q2028 HydrophobicContact CD1-CG 4.35Å; I1984-Q2028 HydrophobicContact CG1-CG 4.46Å; K2024-Q2028 PolarHBondContact O-N 3.17Å; K2024-Q2028 VanDerWaalsContact O-N 3.09Å; I2025-Q2028 PolarHBondContact O-N 3.25Å; L2026-Q2028 VanDerWaalsContact C-N 3.29Å; L2026-Q2028 PolarHBondContact O-N 3.26Å; Q2028-S2031 WeakPolarHBondContact O-CB 3.41Å; Q2028-S2031 PolarHBondContact O-N 3.05Å; Q2028-Q2032 WeakPolarHBondContact O-CG 3.4Å; Q2028-Q2032 PolarHBondContact O-N 3.18Å; Q2028-Q2032 VanDerWaalsContact O-N 3.1Å
2029A88.3Confident86.6Confident0 Ų052.8 Ų52.80%027%0.272CS..Hα-helixtrans-62.9-42175.500000111.7A1976 I1977 A1980 I2025 L2026 S2031 Q2032 M2033A1976-A2029 HydrophobicContact CB-CB 4.18Å; I1977-A2029 HydrophobicContact CG1-CB 4.12Å; A1980-A2029 HydrophobicContact CB-CB 4.08Å; I2025-A2029 WeakPolarHBondContact O-CB 3.36Å; I2025-A2029 PolarHBondContact O-N 3.12Å; L2026-A2029 PolarHBondContact O-N 3.15Å; L2026-A2029 VanDerWaalsContact O-N 3.16Å; A2029-S2031 VanDerWaalsContact C-N 3.34Å; A2029-S2031 PolarHBondContact O-N 3.07Å; A2029-Q2032 WeakPolarHBondContact O-CB 3.32Å; A2029-Q2032 PolarHBondContact O-N 3.02Å; A2029-M2033 WeakPolarHBondContact O-CG 3.33Å; A2029-M2033 PolarHBondContact O-N 3.06Å; A2029-M2033 VanDerWaalsContact O-N 3.07Å
2030L88.1Confident86.8Confident0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-65.7-37.6176.2-66.3175000112.1Y2000 L2026 L2027 Q2032 M2033 K2034 Q2035 V2037 W2081 F2083Y2000-L2030 HydrophobicContact CD2-CD2 4.06Å; Y2000-L2030 HydrophobicContact CE2-CD2 3.63Å; L2026-L2030 HydrophobicContact CD1-CD1 4.21Å; L2026-L2030 HydrophobicContact CD1-CD2 4.42Å; L2026-L2030 HydrophobicContact CD1-CG 4.09Å; L2026-L2030 HydrophobicContact CG-CD1 3.98Å; L2026-L2030 HydrophobicContact CG-CG 4.3Å; L2026-L2030 WeakPolarHBondContact O-CB 3.39Å; L2026-L2030 VanDerWaalsContact O-CG 3.26Å; L2026-L2030 WeakPolarHBondContact O-CG 3.34Å; L2026-L2030 PolarHBondContact O-N 3.11Å; L2027-L2030 PolarHBondContact O-N 3.39Å; L2030-Q2032 VanDerWaalsContact C-N 3.31Å; L2030-Q2032 PolarHBondContact O-N 3.3Å; L2030-M2033 HydrophobicContact CD2-SD 4.46Å; L2030-M2033 CarbonylContact O-C 3.41Å; L2030-M2033 WeakPolarHBondContact O-CA 3.36Å; L2030-M2033 WeakPolarHBondContact O-CB 3.37Å; L2030-M2033 PolarHBondContact O-N 3.16Å; L2030-M2033 VanDerWaalsContact O-N 3.11Å; L2030-K2034 PolarHBondContact O-N 3.28Å; L2030-Q2035 CarbonylContact C-O 3.36Å; L2030-Q2035 HydrophobicContact CB-CB 4.39Å; L2030-Q2035 WeakPolarHBondContact O-CB 3.35Å; L2030-Q2035 PolarHBondContact O-N 3.13Å; L2030-V2037 HydrophobicContact CB-CG2 3.93Å; L2030-V2037 HydrophobicContact CD1-CG2 3.94Å; L2030-V2037 HydrophobicContact CG-CG2 4.49Å; L2030-W2081 HydrophobicContact CD1-CE3 4.18Å; L2030-W2081 HydrophobicContact CD1-CZ3 3.82Å; L2030-W2081 HydrophobicContact CD2-CZ3 4.36Å; L2030-F2083 HydrophobicContact CD1-CE2 4.43Å; L2030-F2083 HydrophobicContact CD1-CZ 4.04Å
2031S85.7Confident87Confident71.2 Ų71.256.3 Ų56.350%0.49828%0.284SS..Hα-helixtrans-60.2-41.3172.7-174.70000111.9L2027 Q2028 A2029 M2033 K2034 Q2035L2027-S2031 WeakPolarHBondContact O-CB 3.45Å; L2027-S2031 PolarHBondContact O-N 3.32Å; L2027-S2031 VanDerWaalsContact O-N 3.07Å; Q2028-S2031 WeakPolarHBondContact O-CB 3.41Å; Q2028-S2031 PolarHBondContact O-N 3.05Å; A2029-S2031 VanDerWaalsContact C-N 3.34Å; A2029-S2031 PolarHBondContact O-N 3.07Å; S2031-M2033 VanDerWaalsContact C-N 3.31Å; S2031-M2033 PolarHBondContact O-N 3.09Å; S2031-K2034 WeakPolarHBondContact O-CA 3.16Å; S2031-K2034 PolarHBondContact O-N 3.35Å; S2031-K2034 VanDerWaalsContact O-N 3.08Å; S2031-Q2035 WeakPolarHBondContact CA-O 3.33Å
2032Q83.5Confident87.3Confident96.2 Ų96.255.2 Ų55.245%0.4528%0.275SS..Hα-helixtrans-65.6-33173.9-66.2-100.4-24.900112.6A1976 S1979 Q2028 A2029 L2030 K2034A1976-Q2032 PolarHBondContact O-OE1 2.92Å; S1979-Q2032 VanDerWaalsContact OG-CD 3.26Å; S1979-Q2032 PolarHBondContact OG-NE2 3.16Å; S1979-Q2032 PolarHBondContact OG-OE1 3.49Å; Q2028-Q2032 WeakPolarHBondContact O-CG 3.4Å; Q2028-Q2032 PolarHBondContact O-N 3.18Å; Q2028-Q2032 VanDerWaalsContact O-N 3.1Å; A2029-Q2032 WeakPolarHBondContact O-CB 3.32Å; A2029-Q2032 PolarHBondContact O-N 3.02Å; L2030-Q2032 VanDerWaalsContact C-N 3.31Å; L2030-Q2032 PolarHBondContact O-N 3.3Å; Q2032-K2034 PolarHBondContact O-N 3.04Å; Q2032-K2034 VanDerWaalsContact O-N 3.11Å
2033M83.3Confident87.4Confident62.4 Ų62.458 Ų5831%0.30729%0.29SS..THydrogen-bonded Turntrans-74.810.6172-65179.968.600113.7L1973 A1976 A2029 L2030 S2031 Q2035L1973-M2033 HydrophobicContact CB-SD 4.49Å; L1973-M2033 HydrophobicContact CD1-SD 3.91Å; A1976-M2033 HydrophobicContact CB-CG 3.86Å; A1976-M2033 HydrophobicContact CB-SD 4.23Å; A2029-M2033 WeakPolarHBondContact O-CG 3.33Å; A2029-M2033 PolarHBondContact O-N 3.06Å; A2029-M2033 VanDerWaalsContact O-N 3.07Å; L2030-M2033 HydrophobicContact CD2-SD 4.46Å; L2030-M2033 CarbonylContact O-C 3.41Å; L2030-M2033 WeakPolarHBondContact O-CA 3.36Å; L2030-M2033 WeakPolarHBondContact O-CB 3.37Å; L2030-M2033 PolarHBondContact O-N 3.16Å; L2030-M2033 VanDerWaalsContact O-N 3.11Å; S2031-M2033 VanDerWaalsContact C-N 3.31Å; S2031-M2033 PolarHBondContact O-N 3.09Å; M2033-Q2035 VanDerWaalsContact C-N 3.26Å; M2033-Q2035 PolarHBondContact O-N 3.31Å
2034K79.9Confident87.2Confident195.6 Ų195.657.5 Ų57.585%0.8529%0.289SS*.THydrogen-bonded Turntrans61.622.4-177.5-55.9-179.8178.9177.90114.3L2030 S2031 Q2032L2030-K2034 PolarHBondContact O-N 3.28Å; S2031-K2034 WeakPolarHBondContact O-CA 3.16Å; S2031-K2034 PolarHBondContact O-N 3.35Å; S2031-K2034 VanDerWaalsContact O-N 3.08Å; Q2032-K2034 PolarHBondContact O-N 3.04Å; Q2032-K2034 VanDerWaalsContact O-N 3.11Å
2035Q79.1Confident87Confident77.4 Ų77.455.3 Ų55.336%0.36228%0.281SS..  trans-92.8121.1169.4-67-172.2-13.400109.2L2030 S2031 M2033 V2037L2030-Q2035 CarbonylContact C-O 3.36Å; L2030-Q2035 HydrophobicContact CB-CB 4.39Å; L2030-Q2035 WeakPolarHBondContact O-CB 3.35Å; L2030-Q2035 PolarHBondContact O-N 3.13Å; S2031-Q2035 WeakPolarHBondContact CA-O 3.33Å; M2033-Q2035 VanDerWaalsContact C-N 3.26Å; M2033-Q2035 PolarHBondContact O-N 3.31Å; Q2035-V2037 HydrophobicContact CB-CG2 4.43Å; Q2035-V2037 PolarHBondContact O-N 3.16Å
2036T80.4Confident86.9Confident103 Ų10358.9 Ų58.963%0.63231%0.312SS*.  trans-75.3126.8170.848.60000108.6V2080 W2081T2036-V2080 VanDerWaalsContact C-CG1 3.45Å; T2036-V2080 VanDerWaalsContact O-CG1 3.22Å; T2036-V2080 WeakPolarHBondContact O-CG1 3.33Å; T2036-W2081 PolarHBondContact O-N 3.01Å
2037V83.8Confident86.6Confident25 Ų2561.7 Ų61.715%0.15233%0.326CS..EExtended strand (participates in β ladder)trans-133132.2178.2-1730000108.4L2027 L2030 Q2035 W2081 F2083L2027-V2037 HydrophobicContact CD1-CB 3.6Å; L2027-V2037 HydrophobicContact CD1-CG1 3.63Å; L2027-V2037 VanDerWaalsContact CD1-CG1 3.42Å; L2027-V2037 HydrophobicContact CG-CB 4.48Å; L2030-V2037 HydrophobicContact CB-CG2 3.93Å; L2030-V2037 HydrophobicContact CD1-CG2 3.94Å; L2030-V2037 HydrophobicContact CG-CG2 4.49Å; Q2035-V2037 HydrophobicContact CB-CG2 4.43Å; Q2035-V2037 PolarHBondContact O-N 3.16Å; V2037-W2081 CarbonylContact C-O 3.55Å; V2037-W2081 VanDerWaalsContact CA-O 3.25Å; V2037-W2081 WeakPolarHBondContact CA-O 3.37Å; V2037-W2081 HydrophobicContact CG1-CB 4.39Å; V2037-W2081 VanDerWaalsContact CG1-O 3.3Å; V2037-W2081 WeakPolarHBondContact CG1-O 3.4Å; V2037-W2081 HydrophobicContact CG2-CB 4.31Å; V2037-W2081 HydrophobicContact CG2-CE3 4.38Å; V2037-F2083 HydrophobicContact CG1-CD1 4.13Å; V2037-F2083 HydrophobicContact CG1-CD2 3.91Å; V2037-F2083 HydrophobicContact CG1-CE1 4.07Å; V2037-F2083 HydrophobicContact CG1-CE2 3.84Å; V2037-F2083 HydrophobicContact CG1-CG 4.06Å; V2037-F2083 HydrophobicContact CG1-CZ 3.92Å
2038K87.2Confident86.4Confident87.8 Ų87.863.4 Ų63.438%0.38234%0.338SS..EExtended strand (participates in β ladder)trans-107.9136.3173.7-72.4-179.1-176.1173.30109.5Y2040 E2078 V2080 W2081 S2082 F2083K2038-Y2040 HydrophobicContact CB-CE2 4.46Å; K2038-E2078 WeakPolarHBondContact CD-OE1 3.42Å; K2038-E2078 VanDerWaalsContact CD-OE2 3.31Å; K2038-E2078 WeakPolarHBondContact CD-OE2 3.41Å; K2038-E2078 WeakPolarHBondContact CE-OE2 3.48Å; K2038-E2078 IonicContact NZ-OE1 3.22Å; K2038-E2078 PolarHBondContact NZ-OE1 3.16Å; K2038-E2078 IonicContact NZ-OE2 3.25Å; K2038-E2078 PolarHBondContact NZ-OE2 2.99Å; K2038-V2080 HydrophobicContact CD-CG1 4.3Å; K2038-V2080 HydrophobicContact CG-CG1 4.23Å; K2038-W2081 PolarHBondContact N-O 3.08Å; K2038-S2082 CarbonylContact O-C 3.48Å; K2038-S2082 VanDerWaalsContact O-CA 3.31Å; K2038-S2082 WeakPolarHBondContact O-CA 3.41Å; K2038-F2083 PolarHBondContact O-N 3.2Å
2039A89.7Confident86.2Confident38.6 Ų38.664.1 Ų64.132%0.31934%0.341SS..EExtended strand (participates in β ladder)trans-115.8126.6175.500000110.7W2023 L2027 F2083W2023-A2039 HydrophobicContact CE3-CB 4.43Å; W2023-A2039 HydrophobicContact CH2-CB 4.25Å; W2023-A2039 HydrophobicContact CZ3-CB 3.72Å; L2027-A2039 HydrophobicContact CD1-CB 4.22Å; L2027-A2039 HydrophobicContact CD2-CB 4.39Å; A2039-F2083 CarbonylContact C-O 3.49Å; A2039-F2083 WeakPolarHBondContact CA-O 3.25Å; A2039-F2083 HydrophobicContact CB-CB 4.3Å
2040Y92.8Very high86Confident38.6 Ų38.672.2 Ų72.215%0.15137%0.371CS..EExtended strand (participates in β ladder)trans-106.5113.6171.8-60.3-71.7000108.2K2038 L2071 K2074 E2078 F2083 I2084 V2085K2038-Y2040 HydrophobicContact CB-CE2 4.46Å; Y2040-L2071 HydrophobicContact CD1-CD2 3.79Å; Y2040-L2071 HydrophobicContact CD2-CD2 4.25Å; Y2040-L2071 HydrophobicContact CE1-CD2 4.26Å; Y2040-L2071 HydrophobicContact CE2-CD2 4.42Å; Y2040-L2071 HydrophobicContact CG-CD2 3.79Å; Y2040-K2074 HydrophobicContact CE1-CD 4.29Å; Y2040-K2074 VanDerWaalsContact OH-CE 3.27Å; Y2040-K2074 WeakPolarHBondContact OH-CE 3.36Å; Y2040-K2074 PolarHBondContact OH-NZ 3.18Å; Y2040-E2078 PolarHBondContact OH-OE1 3.07Å; Y2040-E2078 VanDerWaalsContact OH-OE1 3.07Å; Y2040-E2078 PolarHBondContact OH-OE2 3.2Å; Y2040-F2083 PolarHBondContact N-O 3.19Å; Y2040-I2084 HydrophobicContact CD2-CG1 4.45Å; Y2040-V2085 PolarHBondContact O-N 3.22Å
2041H91.8Very high85.9Confident94.6 Ų94.677.4 Ų77.444%0.43840%0.395SS..EExtended strand (participates in β ladder)trans-115124-173.2176.2-92.7000111W2023 V2085 D2087W2023-H2041 AromaticContact CZ2-CD2 3.9Å; H2041-V2085 WeakPolarHBondContact CA-O 3.18Å; H2041-V2085 HydrophobicContact CB-CB 4.44Å; H2041-D2087 IonicContact CE1-OD2 2.83Å; H2041-D2087 WeakPolarHBondContact NE2-CB 3.4Å; H2041-D2087 IonicContact NE2-OD2 3.56Å
2042F92.8Very high86Confident24.2 Ų24.274 Ų7411%0.10637%0.372CS..EExtended strand (participates in β ladder)trans-153.3161.9176.166.4-86.3000111.7P2044 L2052 L2067 L2068 L2071 I2084 V2085 C2086 D2087F2042-P2044 HydrophobicContact CD2-CG 4.44Å; F2042-P2044 HydrophobicContact CE2-CB 4.34Å; F2042-P2044 HydrophobicContact CE2-CG 3.97Å; F2042-L2052 HydrophobicContact CD2-CD1 4.48Å; F2042-L2052 HydrophobicContact CE2-CD1 3.67Å; F2042-L2052 HydrophobicContact CZ-CD1 4.31Å; F2042-L2067 HydrophobicContact CB-CD2 4.05Å; F2042-L2067 HydrophobicContact CD1-CD2 3.89Å; F2042-L2067 HydrophobicContact CD1-CG 4.48Å; F2042-L2067 HydrophobicContact CD2-CD2 3.66Å; F2042-L2067 HydrophobicContact CE1-CD2 4.25Å; F2042-L2067 HydrophobicContact CE2-CD2 4.06Å; F2042-L2067 HydrophobicContact CG-CD2 3.58Å; F2042-L2067 VanDerWaalsContact CG-CD2 3.43Å; F2042-L2067 HydrophobicContact CZ-CD2 4.27Å; F2042-L2068 HydrophobicContact CE1-CD2 4.43Å; F2042-L2068 HydrophobicContact CZ-CD2 3.77Å; F2042-L2068 HydrophobicContact CZ-CG 4.23Å; F2042-L2071 HydrophobicContact CD1-CD1 3.99Å; F2042-L2071 HydrophobicContact CE1-CD1 3.63Å; F2042-L2071 HydrophobicContact CZ-CD1 4.45Å; F2042-I2084 HydrophobicContact CE1-CG2 3.78Å; F2042-I2084 HydrophobicContact CZ-CG2 4.34Å; F2042-V2085 PolarHBondContact N-O 3.24Å; F2042-V2085 VanDerWaalsContact N-O 3.09Å; F2042-C2086 VanDerWaalsContact CZ-SG 3.53Å; F2042-C2086 WeakPolarHBondContact O-CA 3.33Å; F2042-D2087 PolarHBondContact O-N 3.15Å
2043N91Very high86.1Confident68 Ų6870.4 Ų70.436%0.36436%0.355SS..  trans-99.5115.5174.3-179.9-20.6000110N2045 A2046 D2087N2043-N2045 VanDerWaalsContact C-N 3.32Å; N2043-N2045 PolarHBondContact O-N 2.91Å; N2043-N2045 WeakPolarHBondContact OD1-CA 3.37Å; N2043-N2045 WeakPolarHBondContact OD1-CB 3.31Å; N2043-N2045 PolarHBondContact OD1-N 3.21Å; N2043-N2045 PolarHBondContact OD1-OD1 3.23Å; N2043-A2046 HydrophobicContact CB-CB 4.13Å; N2043-A2046 PolarHBondContact O-N 3.11Å; N2043-A2046 PolarHBondContact OD1-N 3.16Å; N2043-D2087 VanDerWaalsContact CA-O 3.26Å; N2043-D2087 WeakPolarHBondContact CA-O 3.35Å; N2043-D2087 VanDerWaalsContact CB-O 3.29Å; N2043-D2087 WeakPolarHBondContact CB-O 3.44Å; N2043-D2087 PolarHBondContact ND2-O 3.18Å; N2043-D2087 PolarHBondContact OD1-O 3.13Å
2044P87.1Confident86.1Confident2 Ų267.9 Ų67.91%0.01335%0.345CS..G310 helixtrans-65.1-34.8-179.917.7-21.8000113.1F2042 A2046 M2047 L2052 C2086 W2094F2042-P2044 HydrophobicContact CD2-CG 4.44Å; F2042-P2044 HydrophobicContact CE2-CB 4.34Å; F2042-P2044 HydrophobicContact CE2-CG 3.97Å; P2044-A2046 VanDerWaalsContact C-N 3.31Å; P2044-A2046 PolarHBondContact O-N 3.3Å; P2044-M2047 PolarHBondContact O-N 3.25Å; P2044-M2047 VanDerWaalsContact O-N 3.1Å; P2044-L2052 HydrophobicContact CB-CD1 4.42Å; P2044-L2052 HydrophobicContact CB-CD2 3.98Å; P2044-C2086 HydrophobicContact CG-CB 4.14Å; P2044-W2094 HydrophobicContact CB-CD2 4.28Å; P2044-W2094 HydrophobicContact CB-CH2 4.26Å; P2044-W2094 HydrophobicContact CB-CZ2 3.85Å; P2044-W2094 HydrophobicContact CG-CH2 4.08Å; P2044-W2094 HydrophobicContact CG-CZ2 3.77Å; P2044-W2094 HydrophobicContact CG-CZ3 4.43Å
2045N86.3Confident86.2Confident56.8 Ų56.862.6 Ų62.630%0.30432%0.321SS..G310 helixtrans-76.6-13.9-175.7-54.534.7000112.4N2043 M2047 G2088 E2089 E2091N2043-N2045 VanDerWaalsContact C-N 3.32Å; N2043-N2045 PolarHBondContact O-N 2.91Å; N2043-N2045 WeakPolarHBondContact OD1-CA 3.37Å; N2043-N2045 WeakPolarHBondContact OD1-CB 3.31Å; N2043-N2045 PolarHBondContact OD1-N 3.21Å; N2043-N2045 PolarHBondContact OD1-OD1 3.23Å; N2045-M2047 PolarHBondContact O-N 3.04Å; N2045-G2088 VanDerWaalsContact OD1-CA 3.24Å; N2045-G2088 WeakPolarHBondContact OD1-CA 3.41Å; N2045-E2089 PolarHBondContact ND2-N 3.19Å; N2045-E2089 VanDerWaalsContact ND2-N 3.15Å; N2045-E2089 PolarHBondContact ND2-O 3.22Å; N2045-E2089 VanDerWaalsContact ND2-O 3.13Å; N2045-E2089 PolarHBondContact OD1-N 3.11Å; N2045-E2089 PolarHBondContact OD1-O 3.05Å; N2045-E2089 VanDerWaalsContact OD1-O 3.13Å; N2045-E2091 VanDerWaalsContact ND2-CD 3.28Å; N2045-E2091 PolarHBondContact ND2-OE1 3.18Å
2046A87.1Confident86Confident81 Ų8161.5 Ų61.567%0.66932%0.319SS*.G310 helixtrans-77.3-8.2170.700000112.9N2043 P2044N2043-A2046 HydrophobicContact CB-CB 4.13Å; N2043-A2046 PolarHBondContact O-N 3.11Å; N2043-A2046 PolarHBondContact OD1-N 3.16Å; P2044-A2046 VanDerWaalsContact C-N 3.31Å; P2044-A2046 PolarHBondContact O-N 3.3Å
2047M85Confident85.6Confident58.8 Ų58.858.3 Ų58.329%0.2930%0.298SS..SBendtrans-119.9145.9-175-59.2-176.969.300110.9P2044 N2045 Q2051 L2067P2044-M2047 PolarHBondContact O-N 3.25Å; P2044-M2047 VanDerWaalsContact O-N 3.1Å; N2045-M2047 PolarHBondContact O-N 3.04Å; M2047-Q2051 HydrophobicContact CB-CB 4.38Å; M2047-Q2051 HydrophobicContact CE-CB 3.75Å; M2047-L2067 HydrophobicContact CE-CB 4.04Å; M2047-L2067 HydrophobicContact CE-CD2 4.14Å; M2047-L2067 HydrophobicContact SD-CB 4.43Å; M2047-L2067 HydrophobicContact SD-CD2 3.66Å
2048T85Confident84.9Confident81.8 Ų81.861.2 Ų61.250%0.50232%0.317SS..  trans-70.7153.1171.962.40000110.9R2050 Q2051 L2052T2048-R2050 PolarHBondContact O-N 3.33Å; T2048-R2050 VanDerWaalsContact O-N 3.09Å; T2048-Q2051 VanDerWaalsContact N-OE1 3.15Å; T2048-Q2051 PolarHBondContact O-N 3.03Å; T2048-Q2051 WeakPolarHBondContact OG1-CG 3.39Å; T2048-Q2051 PolarHBondContact OG1-N 3.03Å; T2048-Q2051 PolarHBondContact OG1-OE1 3.25Å; T2048-Q2051 VanDerWaalsContact OG1-OE1 3.05Å; T2048-L2052 PolarHBondContact O-N 3.32Å
2049K81.6Confident84Confident83.8 Ų83.862.8 Ų62.836%0.36433%0.33SS..Hα-helixtrans-48.6-38.2176.1-175.8174.3-179.9165.90113.3E1732 L2052 L2053 E2093E1732-K2049 IonicContact OE2-NZ 3.83Å; E1732-K2049 PolarHBondContact OE2-NZ 2.79Å; K2049-L2052 PolarHBondContact O-N 3.19Å; K2049-L2053 HydrophobicContact CG-CD1 4.08Å; K2049-L2053 WeakPolarHBondContact O-CB 3.32Å; K2049-L2053 PolarHBondContact O-N 3.11Å; K2049-E2093 HydrophobicContact CD-CB 4.41Å; K2049-E2093 VanDerWaalsContact CE-O 3.25Å; K2049-E2093 WeakPolarHBondContact CE-O 3.38Å; K2049-E2093 PolarHBondContact NZ-O 3.28Å; K2049-E2093 VanDerWaalsContact NZ-O 3.14Å; K2049-E2093 IonicContact NZ-OE2 2.76Å
2050R83.7Confident83.1Confident169.6 Ų169.663.7 Ų63.764%0.6433%0.332SS*.Hα-helixtrans-66.6-39.3177.7-68.3-172.9-177.21781.4113.1T2048 L2052 G2054 Y2055T2048-R2050 PolarHBondContact O-N 3.33Å; T2048-R2050 VanDerWaalsContact O-N 3.09Å; R2050-L2052 VanDerWaalsContact C-N 3.3Å; R2050-G2054 CarbonylContact O-C 3.53Å; R2050-G2054 WeakPolarHBondContact O-CA 3.41Å; R2050-G2054 PolarHBondContact O-N 2.91Å; R2050-Y2055 HydrophobicContact CB-CD1 3.9Å; R2050-Y2055 HydrophobicContact CB-CE1 4.45Å; R2050-Y2055 HydrophobicContact CB-CG 4.33Å; R2050-Y2055 HydrophobicContact CG-CD1 4.33Å; R2050-Y2055 HydrophobicContact CG-CG 4.3Å
2051Q87.4Confident81.9Confident108.4 Ų108.469 Ų6951%0.50735%0.352SS..Hα-helixtrans-75.3-29.2176.8-68.5167.2-42.200111.9M2047 T2048 G2066 L2067M2047-Q2051 HydrophobicContact CB-CB 4.38Å; M2047-Q2051 HydrophobicContact CE-CB 3.75Å; T2048-Q2051 VanDerWaalsContact N-OE1 3.15Å; T2048-Q2051 PolarHBondContact O-N 3.03Å; T2048-Q2051 WeakPolarHBondContact OG1-CG 3.39Å; T2048-Q2051 PolarHBondContact OG1-N 3.03Å; T2048-Q2051 PolarHBondContact OG1-OE1 3.25Å; T2048-Q2051 VanDerWaalsContact OG1-OE1 3.05Å; Q2051-G2066 CarbonylContact O-C 3.56Å; Q2051-G2066 VanDerWaalsContact O-CA 3.23Å; Q2051-G2066 WeakPolarHBondContact O-CA 3.35Å; Q2051-L2067 PolarHBondContact O-N 3.1Å
2052L88Confident81Confident1.4 Ų1.469.8 Ų69.81%0.00736%0.356CS..Hα-helixtrans-79.2-54.2-179.1-176.663.2000112.5F2042 P2044 T2048 K2049 R2050 G2066 L2067 L2068 P2069 W2094F2042-L2052 HydrophobicContact CD2-CD1 4.48Å; F2042-L2052 HydrophobicContact CE2-CD1 3.67Å; F2042-L2052 HydrophobicContact CZ-CD1 4.31Å; P2044-L2052 HydrophobicContact CB-CD1 4.42Å; P2044-L2052 HydrophobicContact CB-CD2 3.98Å; T2048-L2052 PolarHBondContact O-N 3.32Å; K2049-L2052 PolarHBondContact O-N 3.19Å; R2050-L2052 VanDerWaalsContact C-N 3.3Å; L2052-G2066 CarbonylContact O-C 3.55Å; L2052-L2067 PolarHBondContact O-N 3.26Å; L2052-L2067 VanDerWaalsContact O-N 3.17Å; L2052-L2068 HydrophobicContact CD1-CD1 3.75Å; L2052-L2068 HydrophobicContact CD1-CG 3.74Å; L2052-L2068 HydrophobicContact CD2-CD1 4.29Å; L2052-L2068 HydrophobicContact CG-CD1 3.79Å; L2052-L2068 HydrophobicContact CG-CG 4.24Å; L2052-L2068 WeakPolarHBondContact O-CB 3.39Å; L2052-L2068 PolarHBondContact O-N 3.17Å; L2052-P2069 WeakPolarHBondContact O-CD 3.33Å; L2052-W2094 HydrophobicContact CD2-CB 3.86Å; L2052-W2094 HydrophobicContact CD2-CD2 3.94Å; L2052-W2094 HydrophobicContact CD2-CE3 4.24Å; L2052-W2094 HydrophobicContact CD2-CG 3.76Å
2053L84.4Confident80.2Confident19.8 Ų19.871.1 Ų71.110%0.10436%0.36CS..Hα-helixtrans-95.6-16.8-175.2-65.8177000114.1K2049 W2063 L2068 P2069 W2094 A2097 L2098K2049-L2053 HydrophobicContact CG-CD1 4.08Å; K2049-L2053 WeakPolarHBondContact O-CB 3.32Å; K2049-L2053 PolarHBondContact O-N 3.11Å; L2053-W2063 VanDerWaalsContact O-CH2 3.29Å; L2053-W2063 WeakPolarHBondContact O-CH2 3.39Å; L2053-W2063 VanDerWaalsContact O-CZ2 3.27Å; L2053-W2063 WeakPolarHBondContact O-CZ2 3.4Å; L2053-L2068 HydrophobicContact CD2-CD1 3.97Å; L2053-P2069 VanDerWaalsContact O-CG 3.22Å; L2053-P2069 WeakPolarHBondContact O-CG 3.39Å; L2053-W2094 HydrophobicContact CD1-CB 4.18Å; L2053-W2094 HydrophobicContact CG-CB 4.43Å; L2053-A2097 HydrophobicContact CD1-CB 3.8Å; L2053-A2097 HydrophobicContact CD2-CB 4.12Å; L2053-A2097 HydrophobicContact CG-CB 4.48Å; L2053-L2098 HydrophobicContact CD2-CD2 4.45Å
2054G84Confident79.6Confident9 Ų969.8 Ų69.89%0.09336%0.356CS..EExtended strand (participates in β ladder)trans89.7170.7-17200000112.8R2050 W2063 C2064 G2066R2050-G2054 CarbonylContact O-C 3.53Å; R2050-G2054 WeakPolarHBondContact O-CA 3.41Å; R2050-G2054 PolarHBondContact O-N 2.91Å; G2054-W2063 VanDerWaalsContact C-CH2 3.44Å; G2054-C2064 CarbonylContact C-O 3.55Å; G2054-C2064 WeakPolarHBondContact CA-O 3.42Å; G2054-G2066 VanDerWaalsContact CA-N 3.29Å
2055Y81.1Confident79.4Confident85.2 Ų85.272.9 Ų72.933%0.33437%0.372SS..EExtended strand (participates in β ladder)trans-153156.5176.368.9-77.3000110.7R2050 N2057 W2063 C2064R2050-Y2055 HydrophobicContact CB-CD1 3.9Å; R2050-Y2055 HydrophobicContact CB-CE1 4.45Å; R2050-Y2055 HydrophobicContact CB-CG 4.33Å; R2050-Y2055 HydrophobicContact CG-CD1 4.33Å; R2050-Y2055 HydrophobicContact CG-CG 4.3Å; Y2055-N2057 HydrophobicContact CE2-CB 4.27Å; Y2055-N2057 PolarHBondContact O-N 3.3Å; Y2055-W2063 VanDerWaalsContact C-CE3 3.46Å; Y2055-C2064 HydrophobicContact CD1-CB 4.15Å; Y2055-C2064 HydrophobicContact CE1-CB 3.86Å; Y2055-C2064 PolarHBondContact N-O 2.91Å; Y2055-C2064 VanDerWaalsContact N-O 3.15Å; Y2055-C2064 WeakPolarHBondContact O-CB 3.46Å; Y2055-C2064 PolarHBondContact O-N 3.22Å
2056V75.6Confident79.4Confident54.8 Ų54.870.4 Ų70.433%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-82.5120.4167.7-179.10000107.6P2058 E2062 W2063V2056-P2058 WeakPolarHBondContact O-CD 3.49Å; V2056-E2062 WeakPolarHBondContact CA-O 3.35Å; V2056-W2063 HydrophobicContact CG2-CE3 3.77Å; V2056-W2063 HydrophobicContact CG2-CZ3 4.26Å
2057N72.6Confident79.5Confident34.8 Ų34.868.9 Ų68.919%0.18634%0.34CS..  trans-62122.1175.5-178-23000109Y2055 D2059 T2060 R2061 E2062Y2055-N2057 HydrophobicContact CE2-CB 4.27Å; Y2055-N2057 PolarHBondContact O-N 3.3Å; N2057-D2059 VanDerWaalsContact C-N 3.25Å; N2057-D2059 PolarHBondContact O-N 3.12Å; N2057-D2059 VanDerWaalsContact O-N 3.13Å; N2057-D2059 PolarHBondContact OD1-N 3.21Å; N2057-T2060 VanDerWaalsContact CB-OG1 3.29Å; N2057-T2060 WeakPolarHBondContact CB-OG1 3.34Å; N2057-T2060 VanDerWaalsContact CG-OG1 3.28Å; N2057-T2060 PolarHBondContact ND2-OG1 3.27Å; N2057-T2060 PolarHBondContact OD1-N 3.23Å; N2057-R2061 WeakPolarHBondContact O-CA 3.37Å; N2057-R2061 PolarHBondContact O-N 3.15Å; N2057-E2062 WeakPolarHBondContact CB-O 3.17Å; N2057-E2062 PolarHBondContact N-O 3.33Å
2058P68.3Low79.7Confident86.6 Ų86.666.1 Ų66.156%0.56233%0.326SS*.THydrogen-bonded Turntrans-63.5-27.1-175.925.4-34.7000113.3R1366 V2056 R2061R1366-P2058 PolarHBondContact NE-O 3.4Å; V2056-P2058 WeakPolarHBondContact O-CD 3.49Å; P2058-R2061 PolarHBondContact O-NE 2.94Å; P2058-R2061 PolarHBondContact O-NH2 3.02Å; P2058-R2061 VanDerWaalsContact O-NH2 3.17Å
2059D67.8Low79.7Confident120 Ų12062.3 Ų62.364%0.64230%0.303SS*.THydrogen-bonded Turntrans-88-50.2-174.9-60.3-33.4000111.8H1362 N2057H1362-D2059 IonicContact CD2-OD1 3.2Å; H1362-D2059 IonicContact CE1-OD1 3.25Å; H1362-D2059 IonicContact NE2-OD1 2.79Å; H1362-D2059 PolarHBondContact NE2-OD1 2.89Å; H1362-D2059 IonicContact NE2-OD2 2.66Å; N2057-D2059 VanDerWaalsContact C-N 3.25Å; N2057-D2059 PolarHBondContact O-N 3.12Å; N2057-D2059 VanDerWaalsContact O-N 3.13Å; N2057-D2059 PolarHBondContact OD1-N 3.21Å
2060T70.6Confident80Confident59.4 Ų59.463.5 Ų63.536%0.36431%0.308SS..THydrogen-bonded Turntrans-86.5-17.6-179.565.80000113.1T1312 V1369 N2057 E2062T1312-T2060 HydrophobicContact CG2-CG2 3.99Å; V1369-T2060 WeakPolarHBondContact CG1-O 3.4Å; N2057-T2060 VanDerWaalsContact CB-OG1 3.29Å; N2057-T2060 WeakPolarHBondContact CB-OG1 3.34Å; N2057-T2060 VanDerWaalsContact CG-OG1 3.28Å; N2057-T2060 PolarHBondContact ND2-OG1 3.27Å; N2057-T2060 PolarHBondContact OD1-N 3.23Å; T2060-E2062 PolarHBondContact O-N 3.04Å; T2060-E2062 VanDerWaalsContact O-N 3.15Å; T2060-E2062 WeakPolarHBondContact OG1-CB 3.32Å; T2060-E2062 PolarHBondContact OG1-N 3.23Å
2061R68.4Low80.2Confident148.8 Ų148.855.9 Ų55.956%0.56228%0.28SS*.  trans5714.9-169.6-62.3-155.9174-166.4-10.3114.5V1369 E1439 N2057 P2058V1369-R2061 HydrophobicContact CG1-CB 4.43Å; E1439-R2061 WeakPolarHBondContact OE1-CD 3.46Å; E1439-R2061 IonicContact OE1-CZ 2.79Å; E1439-R2061 IonicContact OE1-NE 3.84Å; E1439-R2061 IonicContact OE1-NH1 3.29Å; E1439-R2061 PolarHBondContact OE1-NH1 2.99Å; N2057-R2061 WeakPolarHBondContact O-CA 3.37Å; N2057-R2061 PolarHBondContact O-N 3.15Å; P2058-R2061 PolarHBondContact O-NE 2.94Å; P2058-R2061 PolarHBondContact O-NH2 3.02Å; P2058-R2061 VanDerWaalsContact O-NH2 3.17Å
2062E73Confident80.1Confident112.6 Ų112.650.8 Ų50.853%0.52626%0.256SS..  trans-82144.4174.1-79.3177.3161.100109.8V2056 N2057 T2060 C2064V2056-E2062 WeakPolarHBondContact CA-O 3.35Å; N2057-E2062 WeakPolarHBondContact CB-O 3.17Å; N2057-E2062 PolarHBondContact N-O 3.33Å; T2060-E2062 PolarHBondContact O-N 3.04Å; T2060-E2062 VanDerWaalsContact O-N 3.15Å; T2060-E2062 WeakPolarHBondContact OG1-CB 3.32Å; T2060-E2062 PolarHBondContact OG1-N 3.23Å; E2062-C2064 PolarHBondContact O-N 3.05Å
2063W76.3Confident79.9Confident51.4 Ų51.454.7 Ų54.720%0.19527%0.271CS..EExtended strand (participates in β ladder)trans-75.2118.9172.3174.4-103.7000109.5L2053 G2054 Y2055 V2056 D2065 P2069 L2110 T2111L2053-W2063 VanDerWaalsContact O-CH2 3.29Å; L2053-W2063 WeakPolarHBondContact O-CH2 3.39Å; L2053-W2063 VanDerWaalsContact O-CZ2 3.27Å; L2053-W2063 WeakPolarHBondContact O-CZ2 3.4Å; G2054-W2063 VanDerWaalsContact C-CH2 3.44Å; Y2055-W2063 VanDerWaalsContact C-CE3 3.46Å; V2056-W2063 HydrophobicContact CG2-CE3 3.77Å; V2056-W2063 HydrophobicContact CG2-CZ3 4.26Å; W2063-D2065 VanDerWaalsContact CD1-OD1 3.31Å; W2063-D2065 PolarHBondContact NE1-OD1 3.3Å; W2063-D2065 PolarHBondContact O-N 3.06Å; W2063-P2069 HydrophobicContact CZ2-CG 4.28Å; W2063-L2110 HydrophobicContact CH2-CB 4.21Å; W2063-L2110 HydrophobicContact CH2-CD1 4.47Å; W2063-L2110 HydrophobicContact CH2-CD2 4.27Å; W2063-L2110 HydrophobicContact CH2-CG 4.41Å; W2063-L2110 HydrophobicContact CZ2-CB 4.08Å; W2063-L2110 HydrophobicContact CZ2-CD1 3.79Å; W2063-L2110 HydrophobicContact CZ2-CD2 4.13Å; W2063-L2110 HydrophobicContact CZ2-CG 4.22Å; W2063-L2110 HydrophobicContact CZ3-CB 4.4Å; W2063-T2111 VanDerWaalsContact CH2-OG1 3.31Å; W2063-T2111 WeakPolarHBondContact CH2-OG1 3.32Å; W2063-T2111 VanDerWaalsContact CZ3-OG1 3.27Å; W2063-T2111 WeakPolarHBondContact CZ3-OG1 3.28Å
2064C79Confident79.9Confident40.8 Ų40.857.7 Ų57.728%0.27628%0.283SS..EExtended strand (participates in β ladder)trans-93.3110.9169.3-63.90000108.3G2054 Y2055 E2062 G2066G2054-C2064 CarbonylContact C-O 3.55Å; G2054-C2064 WeakPolarHBondContact CA-O 3.42Å; Y2055-C2064 HydrophobicContact CD1-CB 4.15Å; Y2055-C2064 HydrophobicContact CE1-CB 3.86Å; Y2055-C2064 PolarHBondContact N-O 2.91Å; Y2055-C2064 VanDerWaalsContact N-O 3.15Å; Y2055-C2064 WeakPolarHBondContact O-CB 3.46Å; Y2055-C2064 PolarHBondContact O-N 3.22Å; E2062-C2064 PolarHBondContact O-N 3.05Å; C2064-G2066 PolarHBondContact O-N 3.04Å
2065D81.2Confident79.8Confident67 Ų6757.2 Ų57.236%0.35828%0.279SS..EExtended strand (participates in β ladder)trans-60.2133.3177.9-87.3-35.4000111.6W2063 P2069 F2070 R2073W2063-D2065 VanDerWaalsContact CD1-OD1 3.31Å; W2063-D2065 PolarHBondContact NE1-OD1 3.3Å; W2063-D2065 PolarHBondContact O-N 3.06Å; D2065-P2069 HydrophobicContact CB-CB 4.42Å; D2065-P2069 WeakPolarHBondContact OD1-CB 3.33Å; D2065-F2070 HydrophobicContact CB-CB 4.33Å; D2065-R2073 IonicContact OD1-CZ 3.49Å; D2065-R2073 VanDerWaalsContact OD1-CZ 3.28Å; D2065-R2073 IonicContact OD1-NE 3.7Å; D2065-R2073 PolarHBondContact OD1-NE 3.06Å; D2065-R2073 IonicContact OD1-NH1 3.2Å; D2065-R2073 PolarHBondContact OD1-NH1 3.03Å; D2065-R2073 IonicContact OD1-NH2 3.17Å; D2065-R2073 PolarHBondContact OD1-NH2 3.01Å; D2065-R2073 WeakPolarHBondContact OD2-CD 3.3Å; D2065-R2073 IonicContact OD2-CZ 3.19Å; D2065-R2073 IonicContact OD2-NE 3.95Å; D2065-R2073 PolarHBondContact OD2-NE 2.73Å; D2065-R2073 IonicContact OD2-NH1 3.07Å; D2065-R2073 PolarHBondContact OD2-NH1 2.99Å; D2065-R2073 IonicContact OD2-NH2 2.92Å; D2065-R2073 PolarHBondContact OD2-NH2 2.87Å
2066G86.8Confident79.6Confident3.8 Ų3.855.3 Ų55.34%0.03928%0.28CS..  trans-81.8174.2163.400000111.8Q2051 L2052 G2054 C2064 L2068 P2069 F2070Q2051-G2066 CarbonylContact O-C 3.56Å; Q2051-G2066 VanDerWaalsContact O-CA 3.23Å; Q2051-G2066 WeakPolarHBondContact O-CA 3.35Å; L2052-G2066 CarbonylContact O-C 3.55Å; G2054-G2066 VanDerWaalsContact CA-N 3.29Å; C2064-G2066 PolarHBondContact O-N 3.04Å; G2066-L2068 VanDerWaalsContact C-N 3.31Å; G2066-L2068 PolarHBondContact O-N 2.99Å; G2066-P2069 WeakPolarHBondContact O-CD 3.32Å; G2066-F2070 VanDerWaalsContact O-CB 3.27Å; G2066-F2070 WeakPolarHBondContact O-CB 3.39Å; G2066-F2070 PolarHBondContact O-N 3.17Å; G2066-F2070 VanDerWaalsContact O-N 3.15Å
2067L89.6Confident79.7Confident48.8 Ų48.857.2 Ų57.226%0.25530%0.296SS..Hα-helixtrans-59.3-43178-176.863.6000112.5F2042 M2047 Q2051 L2052 F2070 L2071F2042-L2067 HydrophobicContact CB-CD2 4.05Å; F2042-L2067 HydrophobicContact CD1-CD2 3.89Å; F2042-L2067 HydrophobicContact CD1-CG 4.48Å; F2042-L2067 HydrophobicContact CD2-CD2 3.66Å; F2042-L2067 HydrophobicContact CE1-CD2 4.25Å; F2042-L2067 HydrophobicContact CE2-CD2 4.06Å; F2042-L2067 HydrophobicContact CG-CD2 3.58Å; F2042-L2067 VanDerWaalsContact CG-CD2 3.43Å; F2042-L2067 HydrophobicContact CZ-CD2 4.27Å; M2047-L2067 HydrophobicContact CE-CB 4.04Å; M2047-L2067 HydrophobicContact CE-CD2 4.14Å; M2047-L2067 HydrophobicContact SD-CB 4.43Å; M2047-L2067 HydrophobicContact SD-CD2 3.66Å; Q2051-L2067 PolarHBondContact O-N 3.1Å; L2052-L2067 PolarHBondContact O-N 3.26Å; L2052-L2067 VanDerWaalsContact O-N 3.17Å; L2067-F2070 PolarHBondContact O-N 3.21Å; L2067-L2071 HydrophobicContact CD1-CD1 4.02Å; L2067-L2071 HydrophobicContact CD1-CD2 4.49Å; L2067-L2071 HydrophobicContact CD1-CG 4.06Å; L2067-L2071 HydrophobicContact CD2-CD1 4.44Å; L2067-L2071 HydrophobicContact CG-CD1 3.91Å; L2067-L2071 HydrophobicContact CG-CG 4.31Å; L2067-L2071 WeakPolarHBondContact O-CB 3.34Å; L2067-L2071 VanDerWaalsContact O-CG 3.28Å; L2067-L2071 WeakPolarHBondContact O-CG 3.42Å; L2067-L2071 PolarHBondContact O-N 3.1Å
2068L88.5Confident79.9Confident0.8 Ų0.857 Ų570%0.00429%0.294CS..Hα-helixtrans-65.4-52.9-178.9-81.9173.9000112.8F2042 L2052 L2053 G2066 F2070 L2071 C2072 I2084 L2098 F2124F2042-L2068 HydrophobicContact CE1-CD2 4.43Å; F2042-L2068 HydrophobicContact CZ-CD2 3.77Å; F2042-L2068 HydrophobicContact CZ-CG 4.23Å; L2052-L2068 HydrophobicContact CD1-CD1 3.75Å; L2052-L2068 HydrophobicContact CD1-CG 3.74Å; L2052-L2068 HydrophobicContact CD2-CD1 4.29Å; L2052-L2068 HydrophobicContact CG-CD1 3.79Å; L2052-L2068 HydrophobicContact CG-CG 4.24Å; L2052-L2068 WeakPolarHBondContact O-CB 3.39Å; L2052-L2068 PolarHBondContact O-N 3.17Å; L2053-L2068 HydrophobicContact CD2-CD1 3.97Å; G2066-L2068 VanDerWaalsContact C-N 3.31Å; G2066-L2068 PolarHBondContact O-N 2.99Å; L2068-F2070 VanDerWaalsContact C-N 3.29Å; L2068-F2070 PolarHBondContact O-N 2.93Å; L2068-L2071 PolarHBondContact O-N 3.19Å; L2068-C2072 WeakPolarHBondContact O-CB 3.41Å; L2068-C2072 PolarHBondContact O-N 3.15Å; L2068-C2072 PolarHBondContact O-SG 3.22Å; L2068-I2084 HydrophobicContact CD2-CG2 4.36Å; L2068-L2098 HydrophobicContact CD1-CD1 4.04Å; L2068-L2098 HydrophobicContact CD1-CD2 4.31Å; L2068-L2098 HydrophobicContact CD1-CG 4.45Å; L2068-L2098 HydrophobicContact CD2-CD1 4.5Å; L2068-F2124 HydrophobicContact CD2-CE1 4.12Å
2069P85.7Confident80.2Confident0.6 Ų0.662.6 Ų62.60%0.00431%0.313CS..Hα-helixtrans-53.9-44.5173.5-24.329000112.9L2052 L2053 W2063 D2065 G2066 C2072 R2073 L2110 I2116L2052-P2069 WeakPolarHBondContact O-CD 3.33Å; L2053-P2069 VanDerWaalsContact O-CG 3.22Å; L2053-P2069 WeakPolarHBondContact O-CG 3.39Å; W2063-P2069 HydrophobicContact CZ2-CG 4.28Å; D2065-P2069 HydrophobicContact CB-CB 4.42Å; D2065-P2069 WeakPolarHBondContact OD1-CB 3.33Å; G2066-P2069 WeakPolarHBondContact O-CD 3.32Å; P2069-C2072 PolarHBondContact O-N 2.82Å; P2069-R2073 WeakPolarHBondContact O-CB 3.44Å; P2069-R2073 WeakPolarHBondContact O-CG 3.42Å; P2069-R2073 PolarHBondContact O-N 3.07Å; P2069-L2110 HydrophobicContact CB-CD1 4.09Å; P2069-L2110 HydrophobicContact CB-CD2 4.08Å; P2069-L2110 HydrophobicContact CG-CD1 4.32Å; P2069-L2110 HydrophobicContact CG-CD2 3.69Å; P2069-I2116 HydrophobicContact CB-CD1 4.42Å
2070F87.4Confident81Confident110.2 Ų110.258.3 Ų58.348%0.48329%0.291SS..Hα-helixtrans-60.5-49.3178.5174.8-100.2000112.2D2065 G2066 L2067 L2068 C2072 R2073 K2074D2065-F2070 HydrophobicContact CB-CB 4.33Å; G2066-F2070 VanDerWaalsContact O-CB 3.27Å; G2066-F2070 WeakPolarHBondContact O-CB 3.39Å; G2066-F2070 PolarHBondContact O-N 3.17Å; G2066-F2070 VanDerWaalsContact O-N 3.15Å; L2067-F2070 PolarHBondContact O-N 3.21Å; L2068-F2070 VanDerWaalsContact C-N 3.29Å; L2068-F2070 PolarHBondContact O-N 2.93Å; F2070-C2072 VanDerWaalsContact C-N 3.33Å; F2070-C2072 PolarHBondContact O-N 3.21Å; F2070-R2073 PolarHBondContact O-N 3.11Å; F2070-K2074 HydrophobicContact CE1-CD 4.48Å; F2070-K2074 WeakPolarHBondContact O-CB 3.34Å; F2070-K2074 PolarHBondContact O-N 3.11Å
2071L88Confident81.8Confident10.2 Ų10.257.4 Ų57.45%0.05328%0.281CS..Hα-helixtrans-64.4-37.1177.1-71178.3000112Y2040 F2042 L2067 L2068 K2074 S2075 I2084Y2040-L2071 HydrophobicContact CD1-CD2 3.79Å; Y2040-L2071 HydrophobicContact CD2-CD2 4.25Å; Y2040-L2071 HydrophobicContact CE1-CD2 4.26Å; Y2040-L2071 HydrophobicContact CE2-CD2 4.42Å; Y2040-L2071 HydrophobicContact CG-CD2 3.79Å; F2042-L2071 HydrophobicContact CD1-CD1 3.99Å; F2042-L2071 HydrophobicContact CE1-CD1 3.63Å; F2042-L2071 HydrophobicContact CZ-CD1 4.45Å; L2067-L2071 HydrophobicContact CD1-CD1 4.02Å; L2067-L2071 HydrophobicContact CD1-CD2 4.49Å; L2067-L2071 HydrophobicContact CD1-CG 4.06Å; L2067-L2071 HydrophobicContact CD2-CD1 4.44Å; L2067-L2071 HydrophobicContact CG-CD1 3.91Å; L2067-L2071 HydrophobicContact CG-CG 4.31Å; L2067-L2071 WeakPolarHBondContact O-CB 3.34Å; L2067-L2071 VanDerWaalsContact O-CG 3.28Å; L2067-L2071 WeakPolarHBondContact O-CG 3.42Å; L2067-L2071 PolarHBondContact O-N 3.1Å; L2068-L2071 PolarHBondContact O-N 3.19Å; L2071-K2074 PolarHBondContact O-N 3.39Å; L2071-S2075 VanDerWaalsContact O-CB 3.31Å; L2071-S2075 WeakPolarHBondContact O-CB 3.34Å; L2071-S2075 PolarHBondContact O-N 3.06Å; L2071-S2075 PolarHBondContact O-OG 3.29Å; L2071-I2084 HydrophobicContact CB-CD1 4.23Å; L2071-I2084 HydrophobicContact CD1-CG2 4.35Å
2072C86.1Confident82.8Confident0.4 Ų0.450.3 Ų50.30%0.00325%0.254CS..Hα-helixtrans-64.6-45.3175.6-68.20000111.5L2068 P2069 F2070 K2074 S2075 A2076 L2108 I2116 I2118L2068-C2072 WeakPolarHBondContact O-CB 3.41Å; L2068-C2072 PolarHBondContact O-N 3.15Å; L2068-C2072 PolarHBondContact O-SG 3.22Å; P2069-C2072 PolarHBondContact O-N 2.82Å; F2070-C2072 VanDerWaalsContact C-N 3.33Å; F2070-C2072 PolarHBondContact O-N 3.21Å; C2072-K2074 VanDerWaalsContact C-N 3.35Å; C2072-K2074 PolarHBondContact O-N 3.21Å; C2072-S2075 WeakPolarHBondContact CA-OG 3.44Å; C2072-S2075 PolarHBondContact O-N 3.07Å; C2072-S2075 PolarHBondContact O-OG 2.82Å; C2072-A2076 WeakPolarHBondContact O-CB 3.34Å; C2072-A2076 PolarHBondContact O-N 3.33Å; C2072-L2108 HydrophobicContact CB-CD2 4.14Å; C2072-I2116 HydrophobicContact CB-CG2 4.35Å; C2072-I2118 HydrophobicContact CB-CD1 4.42Å
2073R84Confident83.7Confident82.8 Ų82.844.9 Ų44.931%0.31223%0.229SC..Hα-helixtrans-63.9-43.8177-103-168.3-122.7124.10.4111.5D2065 P2069 F2070 S2075 A2076 S2077 E2114 I2116D2065-R2073 IonicContact OD1-CZ 3.49Å; D2065-R2073 VanDerWaalsContact OD1-CZ 3.28Å; D2065-R2073 IonicContact OD1-NE 3.7Å; D2065-R2073 PolarHBondContact OD1-NE 3.06Å; D2065-R2073 IonicContact OD1-NH1 3.2Å; D2065-R2073 PolarHBondContact OD1-NH1 3.03Å; D2065-R2073 IonicContact OD1-NH2 3.17Å; D2065-R2073 PolarHBondContact OD1-NH2 3.01Å; D2065-R2073 WeakPolarHBondContact OD2-CD 3.3Å; D2065-R2073 IonicContact OD2-CZ 3.19Å; D2065-R2073 IonicContact OD2-NE 3.95Å; D2065-R2073 PolarHBondContact OD2-NE 2.73Å; D2065-R2073 IonicContact OD2-NH1 3.07Å; D2065-R2073 PolarHBondContact OD2-NH1 2.99Å; D2065-R2073 IonicContact OD2-NH2 2.92Å; D2065-R2073 PolarHBondContact OD2-NH2 2.87Å; P2069-R2073 WeakPolarHBondContact O-CB 3.44Å; P2069-R2073 WeakPolarHBondContact O-CG 3.42Å; P2069-R2073 PolarHBondContact O-N 3.07Å; F2070-R2073 PolarHBondContact O-N 3.11Å; R2073-S2075 VanDerWaalsContact C-N 3.34Å; R2073-S2075 PolarHBondContact O-N 2.93Å; R2073-A2076 PolarHBondContact O-N 3.1Å; R2073-S2077 PolarHBondContact O-N 3.01Å; R2073-S2077 PolarHBondContact O-OG 3.49Å; R2073-E2114 IonicContact CZ-OE1 3.25Å; R2073-E2114 IonicContact CZ-OE2 3.29Å; R2073-E2114 IonicContact NE-OE1 3.23Å; R2073-E2114 PolarHBondContact NE-OE1 3.13Å; R2073-E2114 IonicContact NE-OE2 2.69Å; R2073-E2114 IonicContact NH1-OE1 2.64Å; R2073-E2114 PolarHBondContact NH1-OE1 3.49Å; R2073-E2114 IonicContact NH1-OE2 3.65Å; R2073-E2114 PolarHBondContact NH1-OE2 3.48Å; R2073-E2114 VanDerWaalsContact NH2-CD 3.33Å; R2073-E2114 IonicContact NH2-OE1 3.01Å; R2073-E2114 PolarHBondContact NH2-OE1 3.16Å; R2073-E2114 VanDerWaalsContact NH2-OE1 3.07Å; R2073-E2114 IonicContact NH2-OE2 3.45Å; R2073-E2114 PolarHBondContact NH2-OE2 3.03Å; R2073-E2114 VanDerWaalsContact NH2-OE2 3.1Å; R2073-I2116 HydrophobicContact CB-CD1 4.37Å; R2073-I2116 HydrophobicContact CG-CD1 3.72Å; R2073-I2116 HydrophobicContact CG-CG1 4.2Å; R2073-I2116 HydrophobicContact CG-CG2 4.46Å
2074K84.3Confident84.5Confident82.8 Ų82.842.5 Ų42.536%0.3622%0.219SC..Hα-helixtrans-62.1-50.1177.2-171.7-180-179.3-172.20111.4Y2040 F2070 L2071 C2072 A2076 S2077 E2078Y2040-K2074 HydrophobicContact CE1-CD 4.29Å; Y2040-K2074 VanDerWaalsContact OH-CE 3.27Å; Y2040-K2074 WeakPolarHBondContact OH-CE 3.36Å; Y2040-K2074 PolarHBondContact OH-NZ 3.18Å; F2070-K2074 HydrophobicContact CE1-CD 4.48Å; F2070-K2074 WeakPolarHBondContact O-CB 3.34Å; F2070-K2074 PolarHBondContact O-N 3.11Å; L2071-K2074 PolarHBondContact O-N 3.39Å; C2072-K2074 VanDerWaalsContact C-N 3.35Å; C2072-K2074 PolarHBondContact O-N 3.21Å; K2074-A2076 VanDerWaalsContact C-N 3.33Å; K2074-A2076 PolarHBondContact O-N 3.05Å; K2074-S2077 PolarHBondContact O-N 3.22Å; K2074-S2077 VanDerWaalsContact O-N 3.14Å; K2074-S2077 PolarHBondContact O-OG 3.2Å; K2074-E2078 WeakPolarHBondContact O-CG 3.38Å; K2074-E2078 PolarHBondContact O-N 2.97Å
2075S81.5Confident85.2Confident0 Ų040.5 Ų40.50%021%0.206CC..Hα-helixtrans-68.2-31.2-179.4-14.90000112.9L2071 C2072 R2073 S2077 E2078 S2082 N2121L2071-S2075 VanDerWaalsContact O-CB 3.31Å; L2071-S2075 WeakPolarHBondContact O-CB 3.34Å; L2071-S2075 PolarHBondContact O-N 3.06Å; L2071-S2075 PolarHBondContact O-OG 3.29Å; C2072-S2075 WeakPolarHBondContact CA-OG 3.44Å; C2072-S2075 PolarHBondContact O-N 3.07Å; C2072-S2075 PolarHBondContact O-OG 2.82Å; R2073-S2075 VanDerWaalsContact C-N 3.34Å; R2073-S2075 PolarHBondContact O-N 2.93Å; S2075-S2077 VanDerWaalsContact C-N 3.3Å; S2075-S2077 PolarHBondContact O-N 3.1Å; S2075-E2078 PolarHBondContact O-N 3.19Å; S2075-S2082 WeakPolarHBondContact OG-CB 3.48Å; S2075-N2121 PolarHBondContact O-ND2 3.1Å; S2075-N2121 VanDerWaalsContact O-ND2 3.08Å
2076A77.2Confident85.8Confident44.4 Ų44.437.4 Ų37.437%0.36719%0.19SC..Hα-helixtrans-69.3-26.6173.800000113C2072 R2073 K2074 E2078C2072-A2076 WeakPolarHBondContact O-CB 3.34Å; C2072-A2076 PolarHBondContact O-N 3.33Å; R2073-A2076 PolarHBondContact O-N 3.1Å; K2074-A2076 VanDerWaalsContact C-N 3.33Å; K2074-A2076 PolarHBondContact O-N 3.05Å; A2076-E2078 VanDerWaalsContact C-N 3.35Å
2077S76.5Confident86Confident95 Ų9540 Ų4066%0.66420%0.203SC*.Hα-helixtrans-83.6-15.4175.669.30000114.1R2073 K2074 S2075R2073-S2077 PolarHBondContact O-N 3.01Å; R2073-S2077 PolarHBondContact O-OG 3.49Å; K2074-S2077 PolarHBondContact O-N 3.22Å; K2074-S2077 VanDerWaalsContact O-N 3.14Å; K2074-S2077 PolarHBondContact O-OG 3.2Å; S2075-S2077 VanDerWaalsContact C-N 3.3Å; S2075-S2077 PolarHBondContact O-N 3.1Å
2078E77.3Confident85.9Confident31.6 Ų31.638.4 Ų38.415%0.14820%0.197CC..  trans-91.4131.1-179.5-69.4-179.315700110.7K2038 Y2040 K2074 S2075 A2076 V2080 S2082 N2121K2038-E2078 WeakPolarHBondContact CD-OE1 3.42Å; K2038-E2078 VanDerWaalsContact CD-OE2 3.31Å; K2038-E2078 WeakPolarHBondContact CD-OE2 3.41Å; K2038-E2078 WeakPolarHBondContact CE-OE2 3.48Å; K2038-E2078 IonicContact NZ-OE1 3.22Å; K2038-E2078 PolarHBondContact NZ-OE1 3.16Å; K2038-E2078 IonicContact NZ-OE2 3.25Å; K2038-E2078 PolarHBondContact NZ-OE2 2.99Å; Y2040-E2078 PolarHBondContact OH-OE1 3.07Å; Y2040-E2078 VanDerWaalsContact OH-OE1 3.07Å; Y2040-E2078 PolarHBondContact OH-OE2 3.2Å; K2074-E2078 WeakPolarHBondContact O-CG 3.38Å; K2074-E2078 PolarHBondContact O-N 2.97Å; S2075-E2078 PolarHBondContact O-N 3.19Å; A2076-E2078 VanDerWaalsContact C-N 3.35Å; E2078-V2080 HydrophobicContact CB-CB 4.43Å; E2078-V2080 PolarHBondContact O-N 3.11Å; E2078-V2080 VanDerWaalsContact O-N 3.09Å; E2078-S2082 PolarHBondContact OE2-OG 3.39Å; E2078-S2082 VanDerWaalsContact OE2-OG 3.09Å; E2078-N2121 PolarHBondContact O-ND2 3.14Å
2079E75.5Confident85.8Confident202.8 Ų202.842.2 Ų42.295%0.94822%0.215SC*.SBendtrans-75.16.7173.4-63.3-172.416300113.5
2080V83.4Confident85.9Confident30 Ų3042.3 Ų42.318%0.18222%0.216CC..SBendtrans-97.4147.8-175.5-176.10000109.6T2036 K2038 E2078 S2082 N2121T2036-V2080 VanDerWaalsContact C-CG1 3.45Å; T2036-V2080 VanDerWaalsContact O-CG1 3.22Å; T2036-V2080 WeakPolarHBondContact O-CG1 3.33Å; K2038-V2080 HydrophobicContact CD-CG1 4.3Å; K2038-V2080 HydrophobicContact CG-CG1 4.23Å; E2078-V2080 HydrophobicContact CB-CB 4.43Å; E2078-V2080 PolarHBondContact O-N 3.11Å; E2078-V2080 VanDerWaalsContact O-N 3.09Å; V2080-S2082 PolarHBondContact O-N 3.07Å; V2080-S2082 PolarHBondContact O-OG 2.95Å; V2080-N2121 PolarHBondContact O-ND2 2.86Å
2081W87.4Confident85.7Confident40.2 Ų40.240.8 Ų40.815%0.15221%0.21CC..EExtended strand (participates in β ladder)trans-68.4118.9173-161.2-1000109.6Y2000 L2003 L2030 T2036 V2037 K2038 F2083 N2121 S2123Y2000-W2081 HydrophobicContact CD2-CH2 4.3Å; Y2000-W2081 HydrophobicContact CD2-CZ3 4.36Å; Y2000-W2081 AromaticContact CE2-CH2 3.97Å; Y2000-W2081 HydrophobicContact CE2-CH2 4.05Å; Y2000-W2081 AromaticContact CE2-CZ3 3.89Å; Y2000-W2081 HydrophobicContact CE2-CZ3 3.99Å; L2003-W2081 HydrophobicContact CB-CH2 4.42Å; L2003-W2081 HydrophobicContact CB-CZ2 4.12Å; L2030-W2081 HydrophobicContact CD1-CE3 4.18Å; L2030-W2081 HydrophobicContact CD1-CZ3 3.82Å; L2030-W2081 HydrophobicContact CD2-CZ3 4.36Å; T2036-W2081 PolarHBondContact O-N 3.01Å; V2037-W2081 CarbonylContact C-O 3.55Å; V2037-W2081 VanDerWaalsContact CA-O 3.25Å; V2037-W2081 WeakPolarHBondContact CA-O 3.37Å; V2037-W2081 HydrophobicContact CG1-CB 4.39Å; V2037-W2081 VanDerWaalsContact CG1-O 3.3Å; V2037-W2081 WeakPolarHBondContact CG1-O 3.4Å; V2037-W2081 HydrophobicContact CG2-CB 4.31Å; V2037-W2081 HydrophobicContact CG2-CE3 4.38Å; K2038-W2081 PolarHBondContact N-O 3.08Å; W2081-F2083 AromaticContact CD1-CE1 3.89Å; W2081-F2083 AromaticContact CD2-CE1 3.79Å; W2081-F2083 HydrophobicContact CD2-CE1 3.79Å; W2081-F2083 HydrophobicContact CD2-CZ 4.33Å; W2081-F2083 AromaticContact CE2-CE1 3.51Å; W2081-F2083 VanDerWaalsContact CE2-CE1 3.49Å; W2081-F2083 HydrophobicContact CE3-CE1 4.32Å; W2081-F2083 HydrophobicContact CE3-CZ 4.4Å; W2081-F2083 HydrophobicContact CG-CE1 4.1Å; W2081-F2083 HydrophobicContact CH2-CE1 4.37Å; W2081-F2083 HydrophobicContact CH2-CZ 4.4Å; W2081-F2083 AromaticContact CZ2-CE1 3.85Å; W2081-F2083 HydrophobicContact CZ2-CE1 3.85Å; W2081-F2083 HydrophobicContact CZ2-CZ 4.34Å; W2081-F2083 HydrophobicContact CZ3-CE1 4.48Å; W2081-F2083 HydrophobicContact CZ3-CZ 4.38Å; W2081-F2083 AromaticContact NE1-CE1 3.61Å; W2081-N2121 CarbonylContact C-O 3.55Å; W2081-N2121 VanDerWaalsContact CA-O 3.32Å; W2081-N2121 WeakPolarHBondContact CA-O 3.37Å; W2081-N2121 VanDerWaalsContact CD1-O 3.28Å; W2081-S2123 PolarHBondContact NE1-OG 2.98Å
2082S89.9Confident85.2Confident0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-110.8120.7-176.2-680000111K2038 S2075 E2078 V2080 N2121 V2122 S2123K2038-S2082 CarbonylContact O-C 3.48Å; K2038-S2082 VanDerWaalsContact O-CA 3.31Å; K2038-S2082 WeakPolarHBondContact O-CA 3.41Å; S2075-S2082 WeakPolarHBondContact OG-CB 3.48Å; E2078-S2082 PolarHBondContact OE2-OG 3.39Å; E2078-S2082 VanDerWaalsContact OE2-OG 3.09Å; V2080-S2082 PolarHBondContact O-N 3.07Å; V2080-S2082 PolarHBondContact O-OG 2.95Å; S2082-N2121 PolarHBondContact N-O 3.28Å; S2082-V2122 WeakPolarHBondContact O-CA 3.36Å; S2082-S2123 PolarHBondContact O-N 3.25Å
2083F92.4Very high84.6Confident0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-93.4121.7171.9-66.9-9.1000109.8L2003 L2027 L2030 V2037 K2038 A2039 Y2040 W2081 V2085 S2123 I2125L2003-F2083 HydrophobicContact CD1-CE1 4.28Å; L2003-F2083 HydrophobicContact CD1-CE2 4.36Å; L2003-F2083 HydrophobicContact CD1-CZ 3.93Å; L2027-F2083 HydrophobicContact CD1-CD2 4.32Å; L2027-F2083 HydrophobicContact CD1-CE2 4.43Å; L2030-F2083 HydrophobicContact CD1-CE2 4.43Å; L2030-F2083 HydrophobicContact CD1-CZ 4.04Å; V2037-F2083 HydrophobicContact CG1-CD1 4.13Å; V2037-F2083 HydrophobicContact CG1-CD2 3.91Å; V2037-F2083 HydrophobicContact CG1-CE1 4.07Å; V2037-F2083 HydrophobicContact CG1-CE2 3.84Å; V2037-F2083 HydrophobicContact CG1-CG 4.06Å; V2037-F2083 HydrophobicContact CG1-CZ 3.92Å; K2038-F2083 PolarHBondContact O-N 3.2Å; A2039-F2083 CarbonylContact C-O 3.49Å; A2039-F2083 WeakPolarHBondContact CA-O 3.25Å; A2039-F2083 HydrophobicContact CB-CB 4.3Å; Y2040-F2083 PolarHBondContact N-O 3.19Å; W2081-F2083 AromaticContact CD1-CE1 3.89Å; W2081-F2083 AromaticContact CD2-CE1 3.79Å; W2081-F2083 HydrophobicContact CD2-CE1 3.79Å; W2081-F2083 HydrophobicContact CD2-CZ 4.33Å; W2081-F2083 AromaticContact CE2-CE1 3.51Å; W2081-F2083 VanDerWaalsContact CE2-CE1 3.49Å; W2081-F2083 HydrophobicContact CE3-CE1 4.32Å; W2081-F2083 HydrophobicContact CE3-CZ 4.4Å; W2081-F2083 HydrophobicContact CG-CE1 4.1Å; W2081-F2083 HydrophobicContact CH2-CE1 4.37Å; W2081-F2083 HydrophobicContact CH2-CZ 4.4Å; W2081-F2083 AromaticContact CZ2-CE1 3.85Å; W2081-F2083 HydrophobicContact CZ2-CE1 3.85Å; W2081-F2083 HydrophobicContact CZ2-CZ 4.34Å; W2081-F2083 HydrophobicContact CZ3-CE1 4.48Å; W2081-F2083 HydrophobicContact CZ3-CZ 4.38Å; W2081-F2083 AromaticContact NE1-CE1 3.61Å; F2083-V2085 HydrophobicContact CB-CG2 4.29Å; F2083-S2123 CarbonylContact C-O 3.56Å; F2083-S2123 WeakPolarHBondContact CA-O 3.4Å; F2083-I2125 HydrophobicContact CB-CD1 4.29Å; F2083-I2125 HydrophobicContact CD2-CD1 3.92Å; F2083-I2125 HydrophobicContact CE2-CD1 4.36Å; F2083-I2125 HydrophobicContact CG-CD1 4.05Å
2084I93.5Very high84.6Confident0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-102101.9171.5-59.4178.1000106.7Y2040 F2042 L2068 L2071 V2122 S2123 F2124 I2125Y2040-I2084 HydrophobicContact CD2-CG1 4.45Å; F2042-I2084 HydrophobicContact CE1-CG2 3.78Å; F2042-I2084 HydrophobicContact CZ-CG2 4.34Å; L2068-I2084 HydrophobicContact CD2-CG2 4.36Å; L2071-I2084 HydrophobicContact CB-CD1 4.23Å; L2071-I2084 HydrophobicContact CD1-CG2 4.35Å; I2084-V2122 HydrophobicContact CD1-CG1 3.77Å; I2084-V2122 HydrophobicContact CG1-CG1 4.23Å; I2084-S2123 PolarHBondContact N-O 3.09Å; I2084-F2124 HydrophobicContact CB-CD1 3.83Å; I2084-F2124 HydrophobicContact CB-CE1 4.03Å; I2084-F2124 HydrophobicContact CB-CG 4.39Å; I2084-F2124 HydrophobicContact CD1-CD1 4.36Å; I2084-F2124 HydrophobicContact CD1-CE1 3.72Å; I2084-F2124 HydrophobicContact CD1-CE2 4.38Å; I2084-F2124 HydrophobicContact CD1-CZ 3.82Å; I2084-F2124 HydrophobicContact CG1-CE1 4.45Å; I2084-F2124 HydrophobicContact CG2-CD1 3.85Å; I2084-F2124 HydrophobicContact CG2-CE1 3.91Å; I2084-F2124 CarbonylContact O-C 3.44Å; I2084-F2124 WeakPolarHBondContact O-CA 3.36Å; I2084-I2125 PolarHBondContact O-N 3.15Å
2085V93.6Very high84.6Confident0 Ų040.4 Ų40.40%022%0.216CC..EExtended strand (participates in β ladder)trans-97.9114.9-175.5-169.20000109.7W2023 Y2040 H2041 F2042 F2083 I2125 E2127W2023-V2085 HydrophobicContact CD2-CG2 4.28Å; W2023-V2085 HydrophobicContact CE3-CG2 4.37Å; W2023-V2085 HydrophobicContact CH2-CG2 4.32Å; W2023-V2085 HydrophobicContact CZ2-CB 4.49Å; W2023-V2085 HydrophobicContact CZ2-CG1 4.15Å; W2023-V2085 HydrophobicContact CZ2-CG2 4.21Å; W2023-V2085 HydrophobicContact CZ3-CG2 4.37Å; Y2040-V2085 PolarHBondContact O-N 3.22Å; H2041-V2085 WeakPolarHBondContact CA-O 3.18Å; H2041-V2085 HydrophobicContact CB-CB 4.44Å; F2042-V2085 PolarHBondContact N-O 3.24Å; F2042-V2085 VanDerWaalsContact N-O 3.09Å; F2083-V2085 HydrophobicContact CB-CG2 4.29Å; V2085-I2125 CarbonylContact C-O 3.57Å; V2085-I2125 WeakPolarHBondContact CA-O 3.33Å; V2085-I2125 HydrophobicContact CG1-CB 4.34Å; V2085-I2125 HydrophobicContact CG1-CG2 4.3Å; V2085-I2125 HydrophobicContact CG2-CB 4.25Å; V2085-I2125 HydrophobicContact CG2-CD1 4.38Å; V2085-E2127 HydrophobicContact CG1-CG 4.43Å
2086C92.9Very high84.4Confident1.2 Ų1.242.1 Ų42.11%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-101.5104.8175.8-63.30000109.1F2042 P2044 G2088 I2125 F2126 E2127F2042-C2086 VanDerWaalsContact CZ-SG 3.53Å; F2042-C2086 WeakPolarHBondContact O-CA 3.33Å; P2044-C2086 HydrophobicContact CG-CB 4.14Å; C2086-G2088 PolarHBondContact O-N 3.23Å; C2086-I2125 PolarHBondContact N-O 3.21Å; C2086-F2126 HydrophobicContact CB-CD1 3.57Å; C2086-F2126 HydrophobicContact CB-CE1 3.79Å; C2086-F2126 HydrophobicContact CB-CG 4.43Å; C2086-F2126 WeakPolarHBondContact O-CA 3.32Å; C2086-E2127 PolarHBondContact O-N 3.19Å
2087D91.8Very high84.4Confident59 Ų5941.2 Ų41.232%0.31622%0.217SC..EExtended strand (participates in β ladder)trans-93.595.6177.4179.920.5000110.3H2041 F2042 N2043H2041-D2087 IonicContact CE1-OD2 2.83Å; H2041-D2087 WeakPolarHBondContact NE2-CB 3.4Å; H2041-D2087 IonicContact NE2-OD2 3.56Å; F2042-D2087 PolarHBondContact O-N 3.15Å; N2043-D2087 VanDerWaalsContact CA-O 3.26Å; N2043-D2087 WeakPolarHBondContact CA-O 3.35Å; N2043-D2087 VanDerWaalsContact CB-O 3.29Å; N2043-D2087 WeakPolarHBondContact CB-O 3.44Å; N2043-D2087 PolarHBondContact ND2-O 3.18Å; N2043-D2087 PolarHBondContact OD1-O 3.13Å
2088G87.7Confident84.7Confident13.4 Ų13.436.7 Ų36.714%0.13819%0.185CC..SBendtrans167.7165.6-17500000113.3N2045 C2086 E2127 C2128N2045-G2088 VanDerWaalsContact OD1-CA 3.24Å; N2045-G2088 WeakPolarHBondContact OD1-CA 3.41Å; C2086-G2088 PolarHBondContact O-N 3.23Å; G2088-E2127 PolarHBondContact N-O 3.24Å; G2088-E2127 VanDerWaalsContact N-O 3.15Å; G2088-E2127 VanDerWaalsContact O-O 3.05Å; G2088-C2128 PolarHBondContact O-SG 3.22Å; G2088-C2128 VanDerWaalsContact O-SG 3.42Å
2089E86.6Confident84.8Confident81.8 Ų81.836 Ų3638%0.38218%0.183SC..PPolyproline II helixtrans-72.6141.5177.6-62.3-167.3160.700111.2N2045 E2091 T2129 N2130N2045-E2089 PolarHBondContact ND2-N 3.19Å; N2045-E2089 VanDerWaalsContact ND2-N 3.15Å; N2045-E2089 PolarHBondContact ND2-O 3.22Å; N2045-E2089 VanDerWaalsContact ND2-O 3.13Å; N2045-E2089 PolarHBondContact OD1-N 3.11Å; N2045-E2089 PolarHBondContact OD1-O 3.05Å; N2045-E2089 VanDerWaalsContact OD1-O 3.13Å; E2089-E2091 PolarHBondContact O-N 3Å; E2089-T2129 PolarHBondContact OE1-OG1 3.2Å; E2089-N2130 PolarHBondContact OE1-ND2 2.88Å
2090I87Confident84.9Confident3 Ų327.6 Ų27.62%0.01515%0.146CC..PPolyproline II helixtrans-76.6117.1-180-70.8165.9000109.9I2010 W2094 I2095 F2126 C2128 L2131 S2133 A2134I2010-I2090 HydrophobicContact CD1-CD1 3.65Å; I2010-I2090 HydrophobicContact CG1-CD1 4.04Å; I2010-I2090 HydrophobicContact CG2-CD1 4.48Å; I2090-W2094 HydrophobicContact CG1-CH2 4.31Å; I2090-I2095 HydrophobicContact CG1-CD1 4.49Å; I2090-I2095 HydrophobicContact CG2-CB 3.77Å; I2090-I2095 HydrophobicContact CG2-CD1 4.27Å; I2090-I2095 HydrophobicContact CG2-CG1 3.74Å; I2090-I2095 HydrophobicContact CG2-CG2 3.69Å; I2090-F2126 HydrophobicContact CD1-CB 4.25Å; I2090-F2126 HydrophobicContact CD1-CD1 4.43Å; I2090-F2126 HydrophobicContact CD1-CG 4.28Å; I2090-F2126 HydrophobicContact CG1-CD1 4.39Å; I2090-C2128 VanDerWaalsContact CD1-SG 3.54Å; I2090-C2128 WeakPolarHBondContact CD1-SG 3.47Å; I2090-C2128 VanDerWaalsContact CG1-SG 3.56Å; I2090-L2131 HydrophobicContact CD1-CD2 4.03Å; I2090-S2133 WeakPolarHBondContact O-CB 3.4Å; I2090-S2133 PolarHBondContact O-OG 3.17Å; I2090-A2134 HydrophobicContact CB-CB 4.18Å; I2090-A2134 HydrophobicContact CG2-CB 3.94Å
2091E83.1Confident84.8Confident77.8 Ų77.826.2 Ų26.236%0.36414%0.138SC..PPolyproline II helixtrans-102.3139.3172.9-60.9174.9173.400110.9N2045 E2089 E2093 W2094 I2095N2045-E2091 VanDerWaalsContact ND2-CD 3.28Å; N2045-E2091 PolarHBondContact ND2-OE1 3.18Å; E2089-E2091 PolarHBondContact O-N 3Å; E2091-E2093 PolarHBondContact O-N 3.07Å; E2091-W2094 PolarHBondContact O-N 3.17Å; E2091-I2095 WeakPolarHBondContact O-CB 3.39Å; E2091-I2095 VanDerWaalsContact O-CG2 3.24Å; E2091-I2095 WeakPolarHBondContact O-CG2 3.4Å; E2091-I2095 PolarHBondContact O-N 3.21Å
2092P76.8Confident84.7Confident40.6 Ų40.625 Ų2526%0.26413%0.133SC..Hα-helixtrans-56.5-34.6-179.9-7.58.2000113.3R1760 W2094 E2096 S2133R1760-P2092 PolarHBondContact NH2-O 3.02Å; P2092-W2094 VanDerWaalsContact C-N 3.33Å; P2092-W2094 PolarHBondContact O-N 3.12Å; P2092-W2094 VanDerWaalsContact O-N 3.13Å; P2092-E2096 VanDerWaalsContact O-CB 3.3Å; P2092-E2096 WeakPolarHBondContact O-CB 3.35Å; P2092-E2096 WeakPolarHBondContact O-CG 3.39Å; P2092-E2096 PolarHBondContact O-N 3.34Å; P2092-S2133 VanDerWaalsContact CD-O 3.29Å; P2092-S2133 WeakPolarHBondContact CD-O 3.38Å; P2092-S2133 VanDerWaalsContact CG-O 3.22Å; P2092-S2133 WeakPolarHBondContact CG-O 3.16Å
2093E75Confident84Confident118.4 Ų118.426.9 Ų26.955%0.55314%0.144SC*.Hα-helixtrans-60.8-35.8-170.7-63.8-168.5-176.200114.2R1760 K2049 E2091R1760-E2093 PolarHBondContact NH2-O 3.29Å; K2049-E2093 HydrophobicContact CD-CB 4.41Å; K2049-E2093 VanDerWaalsContact CE-O 3.25Å; K2049-E2093 WeakPolarHBondContact CE-O 3.38Å; K2049-E2093 PolarHBondContact NZ-O 3.28Å; K2049-E2093 VanDerWaalsContact NZ-O 3.14Å; K2049-E2093 IonicContact NZ-OE2 2.76Å; E2091-E2093 PolarHBondContact O-N 3.07Å
2094W83.1Confident82.8Confident8.4 Ų8.432.6 Ų32.63%0.03217%0.174CC..Hα-helixtrans-108.3-33.6-17864.7-102.1000113.2P2044 L2052 L2053 I2090 E2091 P2092 E2096 A2097 L2098 F2126P2044-W2094 HydrophobicContact CB-CD2 4.28Å; P2044-W2094 HydrophobicContact CB-CH2 4.26Å; P2044-W2094 HydrophobicContact CB-CZ2 3.85Å; P2044-W2094 HydrophobicContact CG-CH2 4.08Å; P2044-W2094 HydrophobicContact CG-CZ2 3.77Å; P2044-W2094 HydrophobicContact CG-CZ3 4.43Å; L2052-W2094 HydrophobicContact CD2-CB 3.86Å; L2052-W2094 HydrophobicContact CD2-CD2 3.94Å; L2052-W2094 HydrophobicContact CD2-CE3 4.24Å; L2052-W2094 HydrophobicContact CD2-CG 3.76Å; L2053-W2094 HydrophobicContact CD1-CB 4.18Å; L2053-W2094 HydrophobicContact CG-CB 4.43Å; I2090-W2094 HydrophobicContact CG1-CH2 4.31Å; E2091-W2094 PolarHBondContact O-N 3.17Å; P2092-W2094 VanDerWaalsContact C-N 3.33Å; P2092-W2094 PolarHBondContact O-N 3.12Å; P2092-W2094 VanDerWaalsContact O-N 3.13Å; W2094-E2096 VanDerWaalsContact C-N 3.31Å; W2094-E2096 PolarHBondContact O-N 3.28Å; W2094-A2097 WeakPolarHBondContact O-CB 3.36Å; W2094-A2097 PolarHBondContact O-N 3.31Å; W2094-A2097 VanDerWaalsContact O-N 3.16Å; W2094-L2098 HydrophobicContact CE3-CD1 4.23Å; W2094-L2098 HydrophobicContact CZ3-CD1 4.13Å; W2094-F2126 AromaticContact CH2-CD1 3.99Å; W2094-F2126 HydrophobicContact CH2-CD1 4.06Å; W2094-F2126 AromaticContact CH2-CE1 3.76Å; W2094-F2126 HydrophobicContact CH2-CE1 3.76Å; W2094-F2126 HydrophobicContact CZ3-CD1 4.46Å; W2094-F2126 AromaticContact CZ3-CE1 3.8Å; W2094-F2126 HydrophobicContact CZ3-CE1 3.8Å; W2094-F2126 HydrophobicContact CZ3-CZ 4.47Å
2095I83.9Confident81.6Confident0.4 Ų0.437.3 Ų37.30%0.00220%0.199CC..Hα-helixtrans-67.1-30.1-178.1-161.466.8000112I2090 E2091 A2097 L2098 N2099 F2102 F2126 T2138 M2142I2090-I2095 HydrophobicContact CG1-CD1 4.49Å; I2090-I2095 HydrophobicContact CG2-CB 3.77Å; I2090-I2095 HydrophobicContact CG2-CD1 4.27Å; I2090-I2095 HydrophobicContact CG2-CG1 3.74Å; I2090-I2095 HydrophobicContact CG2-CG2 3.69Å; E2091-I2095 WeakPolarHBondContact O-CB 3.39Å; E2091-I2095 VanDerWaalsContact O-CG2 3.24Å; E2091-I2095 WeakPolarHBondContact O-CG2 3.4Å; E2091-I2095 PolarHBondContact O-N 3.21Å; I2095-A2097 VanDerWaalsContact C-N 3.28Å; I2095-A2097 PolarHBondContact O-N 3.32Å; I2095-L2098 HydrophobicContact CD1-CD1 4.34Å; I2095-L2098 WeakPolarHBondContact O-CB 3.41Å; I2095-L2098 PolarHBondContact O-N 3.35Å; I2095-L2098 VanDerWaalsContact O-N 3.09Å; I2095-N2099 PolarHBondContact O-N 3.1Å; I2095-F2102 HydrophobicContact CD1-CE2 4.09Å; I2095-F2102 HydrophobicContact CD1-CZ 4.37Å; I2095-F2126 HydrophobicContact CD1-CD1 4.4Å; I2095-F2126 HydrophobicContact CD1-CE1 3.81Å; I2095-F2126 HydrophobicContact CD1-CE2 4.42Å; I2095-F2126 HydrophobicContact CD1-CZ 3.9Å; I2095-T2138 HydrophobicContact CB-CG2 4.45Å; I2095-T2138 HydrophobicContact CD1-CG2 4.41Å; I2095-T2138 HydrophobicContact CG1-CG2 3.48Å; I2095-T2138 VanDerWaalsContact CG1-CG2 3.47Å; I2095-T2138 HydrophobicContact CG2-CG2 4.16Å; I2095-M2142 HydrophobicContact CD1-CE 3.69Å; I2095-M2142 HydrophobicContact CG1-CE 3.89Å
2096E77.7Confident80.9Confident36.2 Ų36.240.4 Ų40.417%0.16921%0.213CC..G310 helixtrans-68.1-28.1-179.7-86.3-173.7156.100112.7R1760 R1816 P2092 W2094 L2098 N2099 S2135R1760-E2096 IonicContact CZ-OE1 3.46Å; R1760-E2096 IonicContact CZ-OE2 3.38Å; R1760-E2096 IonicContact NE-OE2 2.77Å; R1760-E2096 PolarHBondContact NE-OE2 2.8Å; R1760-E2096 IonicContact NH1-OE1 2.99Å; R1760-E2096 PolarHBondContact NH1-OE1 2.98Å; R1760-E2096 IonicContact NH1-OE2 2.83Å; R1760-E2096 PolarHBondContact NH1-OE2 3.32Å; R1760-E2096 IonicContact NH2-OE1 3.73Å; R1760-E2096 PolarHBondContact NH2-OE1 2.82Å; R1760-E2096 IonicContact NH2-OE2 3.43Å; R1760-E2096 PolarHBondContact NH2-OE2 2.85Å; R1816-E2096 IonicContact NH2-OE1 3.91Å; P2092-E2096 VanDerWaalsContact O-CB 3.3Å; P2092-E2096 WeakPolarHBondContact O-CB 3.35Å; P2092-E2096 WeakPolarHBondContact O-CG 3.39Å; P2092-E2096 PolarHBondContact O-N 3.34Å; W2094-E2096 VanDerWaalsContact C-N 3.31Å; W2094-E2096 PolarHBondContact O-N 3.28Å; E2096-L2098 PolarHBondContact O-N 3.08Å; E2096-N2099 WeakPolarHBondContact CA-ND2 3.4Å; E2096-N2099 VanDerWaalsContact O-CB 3.28Å; E2096-N2099 WeakPolarHBondContact O-CB 3.29Å; E2096-N2099 PolarHBondContact O-N 3.2Å; E2096-N2099 VanDerWaalsContact O-N 3.1Å; E2096-N2099 PolarHBondContact O-ND2 3.27Å; E2096-N2099 VanDerWaalsContact O-ND2 3.14Å; E2096-S2135 WeakPolarHBondContact OE1-CB 3.45Å; E2096-S2135 PolarHBondContact OE1-OG 3.42Å
2097A76.7Confident80.2Confident25.8 Ų25.842.4 Ų42.421%0.21322%0.223CC..G310 helixtrans-64.6-25.6172.500000112.2N1729 D1731 L2053 W2094 I2095 S2100N1729-A2097 PolarHBondContact ND2-O 3.28Å; D1731-A2097 WeakPolarHBondContact OD2-CB 3.06Å; L2053-A2097 HydrophobicContact CD1-CB 3.8Å; L2053-A2097 HydrophobicContact CD2-CB 4.12Å; L2053-A2097 HydrophobicContact CG-CB 4.48Å; W2094-A2097 WeakPolarHBondContact O-CB 3.36Å; W2094-A2097 PolarHBondContact O-N 3.31Å; W2094-A2097 VanDerWaalsContact O-N 3.16Å; I2095-A2097 VanDerWaalsContact C-N 3.28Å; I2095-A2097 PolarHBondContact O-N 3.32Å; A2097-S2100 PolarHBondContact O-OG 2.91Å
2098L82.9Confident79.7Confident0.4 Ų0.439.7 Ų39.70%0.00221%0.209CC..G310 helixtrans-88.8-2.1177.3-58.6-177.7000113.5L2053 L2068 W2094 I2095 E2096 S2100 V2101 F2102 L2108 F2126L2053-L2098 HydrophobicContact CD2-CD2 4.45Å; L2068-L2098 HydrophobicContact CD1-CD1 4.04Å; L2068-L2098 HydrophobicContact CD1-CD2 4.31Å; L2068-L2098 HydrophobicContact CD1-CG 4.45Å; L2068-L2098 HydrophobicContact CD2-CD1 4.5Å; W2094-L2098 HydrophobicContact CE3-CD1 4.23Å; W2094-L2098 HydrophobicContact CZ3-CD1 4.13Å; I2095-L2098 HydrophobicContact CD1-CD1 4.34Å; I2095-L2098 WeakPolarHBondContact O-CB 3.41Å; I2095-L2098 PolarHBondContact O-N 3.35Å; I2095-L2098 VanDerWaalsContact O-N 3.09Å; E2096-L2098 PolarHBondContact O-N 3.08Å; L2098-S2100 PolarHBondContact O-N 3.21Å; L2098-S2100 VanDerWaalsContact O-N 3.1Å; L2098-V2101 HydrophobicContact CD2-CG2 4.2Å; L2098-V2101 WeakPolarHBondContact O-CA 3.39Å; L2098-V2101 VanDerWaalsContact O-CB 3.26Å; L2098-V2101 WeakPolarHBondContact O-CB 3.41Å; L2098-V2101 PolarHBondContact O-N 3.06Å; L2098-F2102 HydrophobicContact CB-CD2 4.24Å; L2098-F2102 HydrophobicContact CB-CE2 3.44Å; L2098-F2102 HydrophobicContact CB-CZ 3.76Å; L2098-F2102 HydrophobicContact CD1-CE2 4.33Å; L2098-F2102 HydrophobicContact CD1-CZ 4.02Å; L2098-F2102 HydrophobicContact CG-CE2 4.47Å; L2098-F2102 HydrophobicContact CG-CZ 4.41Å; L2098-F2102 VanDerWaalsContact O-CD2 3.3Å; L2098-F2102 WeakPolarHBondContact O-CD2 3.28Å; L2098-F2102 WeakPolarHBondContact O-CE2 3.39Å; L2098-F2102 PolarHBondContact O-N 2.98Å; L2098-L2108 HydrophobicContact CD2-CD1 3.63Å; L2098-L2108 VanDerWaalsContact CD2-CD1 3.5Å; L2098-F2126 HydrophobicContact CD1-CZ 4.33Å
2099N80.4Confident79.1Confident17.4 Ų17.441.2 Ų41.29%0.09322%0.215CC..THydrogen-bonded Turntrans-54.9-33.9-179.5-81.3-31.3000113E1757 I2095 E2096 V2101 F2102 D2103 T2138 R2141E1757-N2099 PolarHBondContact OE2-ND2 2.98Å; I2095-N2099 PolarHBondContact O-N 3.1Å; E2096-N2099 WeakPolarHBondContact CA-ND2 3.4Å; E2096-N2099 VanDerWaalsContact O-CB 3.28Å; E2096-N2099 WeakPolarHBondContact O-CB 3.29Å; E2096-N2099 PolarHBondContact O-N 3.2Å; E2096-N2099 VanDerWaalsContact O-N 3.1Å; E2096-N2099 PolarHBondContact O-ND2 3.27Å; E2096-N2099 VanDerWaalsContact O-ND2 3.14Å; N2099-V2101 VanDerWaalsContact C-N 3.32Å; N2099-V2101 PolarHBondContact O-N 3.1Å; N2099-F2102 PolarHBondContact O-N 3.1Å; N2099-D2103 PolarHBondContact O-N 3.15Å; N2099-T2138 PolarHBondContact OD1-OG1 3.18Å; N2099-R2141 VanDerWaalsContact C-NH1 3.35Å; N2099-R2141 PolarHBondContact ND2-NH1 3.27Å; N2099-R2141 WeakPolarHBondContact O-CD 3.43Å; N2099-R2141 PolarHBondContact O-NH1 2.92Å; N2099-R2141 PolarHBondContact OD1-NH1 2.89Å
2100S76.3Confident78.6Confident26.6 Ų26.637.9 Ų37.919%0.18620%0.2CC..THydrogen-bonded Turntrans-73.9-22.317754.10000114A2097 L2098 L2107 T2109A2097-S2100 PolarHBondContact O-OG 2.91Å; L2098-S2100 PolarHBondContact O-N 3.21Å; L2098-S2100 VanDerWaalsContact O-N 3.1Å; S2100-L2107 CarbonylContact C-O 3.48Å; S2100-L2107 VanDerWaalsContact CB-O 3.23Å; S2100-L2107 WeakPolarHBondContact CB-O 3.39Å; S2100-L2107 PolarHBondContact O-N 3.2Å; S2100-L2107 VanDerWaalsContact O-N 3.13Å; S2100-L2107 PolarHBondContact OG-O 3.14Å; S2100-T2109 PolarHBondContact OG-OG1 2.64Å
2101V82.9Confident77.9Confident0 Ų041.3 Ų41.30%022%0.221CC..THydrogen-bonded Turntrans-74-39.7173.3174.30000111.1T2007 L2098 N2099 D2103 K2106 L2107 L2108 I2118 F2124T2007-V2101 HydrophobicContact CG2-CG1 4.33Å; L2098-V2101 HydrophobicContact CD2-CG2 4.2Å; L2098-V2101 WeakPolarHBondContact O-CA 3.39Å; L2098-V2101 VanDerWaalsContact O-CB 3.26Å; L2098-V2101 WeakPolarHBondContact O-CB 3.41Å; L2098-V2101 PolarHBondContact O-N 3.06Å; N2099-V2101 VanDerWaalsContact C-N 3.32Å; N2099-V2101 PolarHBondContact O-N 3.1Å; V2101-D2103 VanDerWaalsContact C-N 3.29Å; V2101-D2103 PolarHBondContact O-N 3.08Å; V2101-K2106 WeakPolarHBondContact O-CA 3.3Å; V2101-L2107 WeakPolarHBondContact CG2-O 3.33Å; V2101-L2107 PolarHBondContact N-O 3.1Å; V2101-L2107 VanDerWaalsContact N-O 3.13Å; V2101-L2108 VanDerWaalsContact CG2-CA 3.49Å; V2101-L2108 HydrophobicContact CG2-CB 3.65Å; V2101-L2108 HydrophobicContact CG2-CD1 3.82Å; V2101-L2108 HydrophobicContact CG2-CG 4.33Å; V2101-I2118 HydrophobicContact CB-CD1 4.09Å; V2101-I2118 HydrophobicContact CG1-CD1 3.37Å; V2101-I2118 VanDerWaalsContact CG1-CD1 3.44Å; V2101-I2118 HydrophobicContact CG2-CD1 3.65Å; V2101-F2124 HydrophobicContact CG1-CD2 4.21Å; V2101-F2124 HydrophobicContact CG1-CE2 3.6Å; V2101-F2124 HydrophobicContact CG1-CZ 4.18Å
2102F84.6Confident77.2Confident14 Ų1439.6 Ų39.66%0.06122%0.218CC..SBendtrans-84.1-4.8-179.4-49.8-49.9000113.9I2095 L2098 N2099 F2124 F2126 R2141 M2142I2095-F2102 HydrophobicContact CD1-CE2 4.09Å; I2095-F2102 HydrophobicContact CD1-CZ 4.37Å; L2098-F2102 HydrophobicContact CB-CD2 4.24Å; L2098-F2102 HydrophobicContact CB-CE2 3.44Å; L2098-F2102 HydrophobicContact CB-CZ 3.76Å; L2098-F2102 HydrophobicContact CD1-CE2 4.33Å; L2098-F2102 HydrophobicContact CD1-CZ 4.02Å; L2098-F2102 HydrophobicContact CG-CE2 4.47Å; L2098-F2102 HydrophobicContact CG-CZ 4.41Å; L2098-F2102 VanDerWaalsContact O-CD2 3.3Å; L2098-F2102 WeakPolarHBondContact O-CD2 3.28Å; L2098-F2102 WeakPolarHBondContact O-CE2 3.39Å; L2098-F2102 PolarHBondContact O-N 2.98Å; N2099-F2102 PolarHBondContact O-N 3.1Å; F2102-F2124 HydrophobicContact CE1-CB 4.07Å; F2102-F2124 AromaticContact CE1-CD2 3.98Å; F2102-F2124 HydrophobicContact CE1-CD2 4.04Å; F2102-F2124 AromaticContact CE1-CG 3.95Å; F2102-F2124 HydrophobicContact CE1-CG 4.06Å; F2102-F2124 HydrophobicContact CZ-CB 4.5Å; F2102-F2126 AromaticContact CE1-CE2 3.99Å; F2102-F2126 HydrophobicContact CE1-CE2 4.07Å; F2102-F2126 HydrophobicContact CE1-CZ 4.35Å; F2102-F2126 HydrophobicContact CE2-CE2 4.43Å; F2102-F2126 HydrophobicContact CE2-CZ 4.36Å; F2102-F2126 AromaticContact CZ-CE2 3.71Å; F2102-F2126 HydrophobicContact CZ-CE2 3.71Å; F2102-F2126 AromaticContact CZ-CZ 3.66Å; F2102-F2126 HydrophobicContact CZ-CZ 3.66Å; F2102-R2141 HydrophobicContact CB-CB 3.81Å; F2102-R2141 HydrophobicContact CB-CG 4.5Å; F2102-M2142 HydrophobicContact CD2-CE 3.45Å; F2102-M2142 VanDerWaalsContact CD2-CE 3.43Å; F2102-M2142 HydrophobicContact CD2-CG 4.38Å; F2102-M2142 HydrophobicContact CD2-SD 4.08Å; F2102-M2142 HydrophobicContact CE1-CE 4.38Å; F2102-M2142 HydrophobicContact CE2-CE 3.59Å; F2102-M2142 HydrophobicContact CE2-SD 4.19Å; F2102-M2142 HydrophobicContact CG-CE 4.23Å; F2102-M2142 HydrophobicContact CG-CG 4.39Å; F2102-M2142 HydrophobicContact CZ-CE 3.86Å
2103D74.8Confident76.7Confident40.6 Ų40.639.4 Ų39.422%0.21722%0.223CC..SBendtrans-81.7166.6170.5-101.9-35.2000111.4R1898 N2099 V2101 N2105 K2106 R2141R1898-D2103 IonicContact CZ-OD1 2.95Å; R1898-D2103 VanDerWaalsContact CZ-OD1 3.28Å; R1898-D2103 IonicContact NE-OD1 3.11Å; R1898-D2103 IonicContact NH1-OD1 3.35Å; R1898-D2103 PolarHBondContact NH1-OD1 3.37Å; R1898-D2103 IonicContact NH2-OD1 2.93Å; R1898-D2103 PolarHBondContact NH2-OD1 3.41Å; R1898-D2103 IonicContact NH2-OD2 3.74Å; N2099-D2103 PolarHBondContact O-N 3.15Å; V2101-D2103 VanDerWaalsContact C-N 3.29Å; V2101-D2103 PolarHBondContact O-N 3.08Å; D2103-N2105 PolarHBondContact O-N 3.11Å; D2103-K2106 PolarHBondContact O-N 3.08Å; D2103-R2141 VanDerWaalsContact CG-NE 3.32Å; D2103-R2141 IonicContact OD1-CZ 3.47Å; D2103-R2141 IonicContact OD1-NE 2.78Å; D2103-R2141 PolarHBondContact OD1-NE 3.21Å; D2103-R2141 IonicContact OD1-NH1 3.29Å; D2103-R2141 PolarHBondContact OD1-NH1 2.91Å; D2103-R2141 VanDerWaalsContact OD1-NH1 3.1Å; D2103-R2141 IonicContact OD1-NH2 3.75Å; D2103-R2141 IonicContact OD2-CZ 3.19Å; D2103-R2141 IonicContact OD2-NE 3.94Å; D2103-R2141 PolarHBondContact OD2-NE 3.21Å; D2103-R2141 IonicContact OD2-NH1 2.97Å; D2103-R2141 PolarHBondContact OD2-NH1 3.15Å; D2103-R2141 IonicContact OD2-NH2 3.5Å; D2103-R2141 PolarHBondContact OD2-NH2 3.28Å; D2103-R2141 VanDerWaalsContact OD2-NH2 3.15Å
2104D68.3Low76.6Confident119 Ų11936.6 Ų36.664%0.63621%0.21SC*.THydrogen-bonded Turntrans-54.7-23.5-179.5-65.7-15.8000113.3K1901 K2106K1901-D2104 IonicContact NZ-OD2 3.42Å; K1901-D2104 PolarHBondContact NZ-OD2 2.98Å; K1901-D2104 VanDerWaalsContact NZ-OD2 3.08Å; D2104-K2106 VanDerWaalsContact C-N 3.35Å
2105N67.7Low76.3Confident99.8 Ų99.842.1 Ų42.153%0.53423%0.231SC..THydrogen-bonded Turntrans-71.3-25.7178.9-70.3-20.7000114K1715 D2103 L2107K1715-N2105 PolarHBondContact NZ-ND2 3.38Å; D2103-N2105 PolarHBondContact O-N 3.11Å; N2105-L2107 VanDerWaalsContact C-N 3.33Å; N2105-L2107 HydrophobicContact CB-CB 4.34Å; N2105-L2107 HydrophobicContact CB-CD1 4.08Å; N2105-L2107 HydrophobicContact CB-CG 4.28Å; N2105-L2107 PolarHBondContact O-N 3.06Å
2106K78.7Confident76Confident64.2 Ų64.242.7 Ų42.728%0.27923%0.234SC..  trans47.551.2-175.1-54.9-171.8-178.4-166.60113.7T2007 V2101 D2103 D2104 I2118T2007-K2106 WeakPolarHBondContact OG1-CD 3.31Å; T2007-K2106 VanDerWaalsContact OG1-CE 3.27Å; T2007-K2106 WeakPolarHBondContact OG1-CE 3.37Å; T2007-K2106 PolarHBondContact OG1-NZ 3.04Å; T2007-K2106 VanDerWaalsContact OG1-NZ 3.16Å; V2101-K2106 WeakPolarHBondContact O-CA 3.3Å; D2103-K2106 PolarHBondContact O-N 3.08Å; D2104-K2106 VanDerWaalsContact C-N 3.35Å; K2106-I2118 HydrophobicContact CB-CB 4.43Å; K2106-I2118 VanDerWaalsContact CB-O 3.3Å; K2106-I2118 WeakPolarHBondContact CB-O 3.43Å; K2106-I2118 PolarHBondContact O-N 3.2Å
2107L77.8Confident76.1Confident42.8 Ų42.848.9 Ų48.922%0.22426%0.256CS..EExtended strand (participates in β ladder)trans-121.6123.5-175.8-109.5133.5000110.8S2100 V2101 N2105 T2109 R2115 I2116 R2117S2100-L2107 CarbonylContact C-O 3.48Å; S2100-L2107 VanDerWaalsContact CB-O 3.23Å; S2100-L2107 WeakPolarHBondContact CB-O 3.39Å; S2100-L2107 PolarHBondContact O-N 3.2Å; S2100-L2107 VanDerWaalsContact O-N 3.13Å; S2100-L2107 PolarHBondContact OG-O 3.14Å; V2101-L2107 WeakPolarHBondContact CG2-O 3.33Å; V2101-L2107 PolarHBondContact N-O 3.1Å; V2101-L2107 VanDerWaalsContact N-O 3.13Å; N2105-L2107 VanDerWaalsContact C-N 3.33Å; N2105-L2107 HydrophobicContact CB-CB 4.34Å; N2105-L2107 HydrophobicContact CB-CD1 4.08Å; N2105-L2107 HydrophobicContact CB-CG 4.28Å; N2105-L2107 PolarHBondContact O-N 3.06Å; L2107-T2109 HydrophobicContact CD2-CG2 3.83Å; L2107-T2109 HydrophobicContact CG-CG2 4.33Å; L2107-R2115 HydrophobicContact CD1-CB 4.01Å; L2107-R2115 HydrophobicContact CD2-CB 4.18Å; L2107-R2115 HydrophobicContact CD2-CG 4.12Å; L2107-R2115 HydrophobicContact CG-CB 4.23Å; L2107-I2116 CarbonylContact C-O 3.41Å; L2107-I2116 WeakPolarHBondContact CA-O 3.31Å; L2107-R2117 HydrophobicContact CD1-CB 4.15Å; L2107-R2117 HydrophobicContact CD2-CB 3.82Å; L2107-R2117 HydrophobicContact CD2-CG 4.1Å
2108L82.1Confident76.3Confident3.2 Ų3.247.9 Ų47.92%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-86.7117.6167.3178.862.3000109C2072 L2098 V2101 L2110 R2115 I2116 I2118C2072-L2108 HydrophobicContact CB-CD2 4.14Å; L2098-L2108 HydrophobicContact CD2-CD1 3.63Å; L2098-L2108 VanDerWaalsContact CD2-CD1 3.5Å; V2101-L2108 VanDerWaalsContact CG2-CA 3.49Å; V2101-L2108 HydrophobicContact CG2-CB 3.65Å; V2101-L2108 HydrophobicContact CG2-CD1 3.82Å; V2101-L2108 HydrophobicContact CG2-CG 4.33Å; L2108-L2110 HydrophobicContact CD1-CD2 4.35Å; L2108-L2110 HydrophobicContact CD2-CD2 3.91Å; L2108-L2110 HydrophobicContact CG-CD2 3.87Å; L2108-R2115 CarbonylContact O-C 3.56Å; L2108-R2115 WeakPolarHBondContact O-CA 3.35Å; L2108-I2116 HydrophobicContact CB-CB 4.32Å; L2108-I2116 HydrophobicContact CD2-CD1 4.32Å; L2108-I2116 PolarHBondContact N-O 2.96Å; L2108-I2116 PolarHBondContact O-N 3.22Å; L2108-I2118 HydrophobicContact CB-CD1 4.12Å
2109T75Confident76Confident45 Ų4549.2 Ų49.228%0.27626%0.26SS..EExtended strand (participates in β ladder)trans-101116.2176.5-15.50000109.6N1729 S2100 L2107 R2115N1729-T2109 WeakPolarHBondContact CB-OG1 3.42Å; S2100-T2109 PolarHBondContact OG-OG1 2.64Å; L2107-T2109 HydrophobicContact CD2-CG2 3.83Å; L2107-T2109 HydrophobicContact CG-CG2 4.33Å; T2109-R2115 HydrophobicContact CG2-CG 4.3Å
2110L76.4Confident75.9Confident13 Ų1353.4 Ų53.47%0.06829%0.291CS..  trans-87.6158.1178-55.8-177.7000110.7W2063 P2069 L2108 S2112 G2113 E2114 I2116W2063-L2110 HydrophobicContact CH2-CB 4.21Å; W2063-L2110 HydrophobicContact CH2-CD1 4.47Å; W2063-L2110 HydrophobicContact CH2-CD2 4.27Å; W2063-L2110 HydrophobicContact CH2-CG 4.41Å; W2063-L2110 HydrophobicContact CZ2-CB 4.08Å; W2063-L2110 HydrophobicContact CZ2-CD1 3.79Å; W2063-L2110 HydrophobicContact CZ2-CD2 4.13Å; W2063-L2110 HydrophobicContact CZ2-CG 4.22Å; W2063-L2110 HydrophobicContact CZ3-CB 4.4Å; P2069-L2110 HydrophobicContact CB-CD1 4.09Å; P2069-L2110 HydrophobicContact CB-CD2 4.08Å; P2069-L2110 HydrophobicContact CG-CD1 4.32Å; P2069-L2110 HydrophobicContact CG-CD2 3.69Å; L2108-L2110 HydrophobicContact CD1-CD2 4.35Å; L2108-L2110 HydrophobicContact CD2-CD2 3.91Å; L2108-L2110 HydrophobicContact CG-CD2 3.87Å; L2110-S2112 WeakPolarHBondContact CB-OG 3.48Å; L2110-S2112 PolarHBondContact O-N 3.13Å; L2110-G2113 WeakPolarHBondContact O-CA 3.34Å; L2110-G2113 PolarHBondContact O-N 3.07Å; L2110-E2114 HydrophobicContact CB-CB 4.43Å; L2110-E2114 HydrophobicContact CD1-CB 4.2Å; L2110-E2114 HydrophobicContact CD1-CG 4.42Å; L2110-E2114 WeakPolarHBondContact CD1-OE2 3.19Å; L2110-E2114 PolarHBondContact N-O 3.24Å; L2110-I2116 HydrophobicContact CD1-CD1 3.94Å; L2110-I2116 HydrophobicContact CD1-CG1 4.45Å; L2110-I2116 HydrophobicContact CG-CD1 4.43Å
2111T70.7Confident76.3Confident73.6 Ų73.653.8 Ų53.845%0.45229%0.291SS..THydrogen-bonded Turntrans-68.5-17.9177.954.90000113.1D1731 S1733 W2063 G2113D1731-T2111 HydrophobicContact CB-CG2 4.45Å; S1733-T2111 VanDerWaalsContact OG-CG2 3.31Å; S1733-T2111 WeakPolarHBondContact OG-CG2 3.31Å; W2063-T2111 VanDerWaalsContact CH2-OG1 3.31Å; W2063-T2111 WeakPolarHBondContact CH2-OG1 3.32Å; W2063-T2111 VanDerWaalsContact CZ3-OG1 3.27Å; W2063-T2111 WeakPolarHBondContact CZ3-OG1 3.28Å; T2111-G2113 PolarHBondContact O-N 3.32Å
2112S68.9Low76.6Confident42.8 Ų42.853.9 Ų53.930%0.29929%0.292SS..THydrogen-bonded Turntrans-64.6-16.7166.461.40000113.4L2110 E2114L2110-S2112 WeakPolarHBondContact CB-OG 3.48Å; L2110-S2112 PolarHBondContact O-N 3.13Å; S2112-E2114 VanDerWaalsContact C-N 3.3Å; S2112-E2114 WeakPolarHBondContact OG-CB 3.39Å; S2112-E2114 PolarHBondContact OG-N 3.12Å
2113G66.8Low76.9Confident36.6 Ų36.653.3 Ų53.338%0.37729%0.29SS..SBendtrans90.4-6.2-17100000113.9L2110 T2111L2110-G2113 WeakPolarHBondContact O-CA 3.34Å; L2110-G2113 PolarHBondContact O-N 3.07Å; T2111-G2113 PolarHBondContact O-N 3.32Å
2114E73.5Confident77.8Confident59.6 Ų59.651.4 Ų51.428%0.27928%0.279SS..  trans-62.7141.9172.6-173.4-174.3171.100110.7R2073 L2110 S2112 I2116R2073-E2114 IonicContact CZ-OE1 3.25Å; R2073-E2114 IonicContact CZ-OE2 3.29Å; R2073-E2114 IonicContact NE-OE1 3.23Å; R2073-E2114 PolarHBondContact NE-OE1 3.13Å; R2073-E2114 IonicContact NE-OE2 2.69Å; R2073-E2114 IonicContact NH1-OE1 2.64Å; R2073-E2114 PolarHBondContact NH1-OE1 3.49Å; R2073-E2114 IonicContact NH1-OE2 3.65Å; R2073-E2114 PolarHBondContact NH1-OE2 3.48Å; R2073-E2114 VanDerWaalsContact NH2-CD 3.33Å; R2073-E2114 IonicContact NH2-OE1 3.01Å; R2073-E2114 PolarHBondContact NH2-OE1 3.16Å; R2073-E2114 VanDerWaalsContact NH2-OE1 3.07Å; R2073-E2114 IonicContact NH2-OE2 3.45Å; R2073-E2114 PolarHBondContact NH2-OE2 3.03Å; R2073-E2114 VanDerWaalsContact NH2-OE2 3.1Å; L2110-E2114 HydrophobicContact CB-CB 4.43Å; L2110-E2114 HydrophobicContact CD1-CB 4.2Å; L2110-E2114 HydrophobicContact CD1-CG 4.42Å; L2110-E2114 WeakPolarHBondContact CD1-OE2 3.19Å; L2110-E2114 PolarHBondContact N-O 3.24Å; S2112-E2114 VanDerWaalsContact C-N 3.3Å; S2112-E2114 WeakPolarHBondContact OG-CB 3.39Å; S2112-E2114 PolarHBondContact OG-N 3.12Å; E2114-I2116 HydrophobicContact CG-CG1 4.32Å; E2114-I2116 WeakPolarHBondContact OE1-CG1 3.33Å
2115R75.6Confident79.1Confident123.6 Ų123.645.7 Ų45.747%0.46625%0.249SC..EExtended strand (participates in β ladder)trans-124.4105.4-178.9-63.3-180-179.9-164.3-3.7109.5V1727 L2107 L2108 T2109V1727-R2115 PolarHBondContact O-NH2 2.79Å; L2107-R2115 HydrophobicContact CD1-CB 4.01Å; L2107-R2115 HydrophobicContact CD2-CB 4.18Å; L2107-R2115 HydrophobicContact CD2-CG 4.12Å; L2107-R2115 HydrophobicContact CG-CB 4.23Å; L2108-R2115 CarbonylContact O-C 3.56Å; L2108-R2115 WeakPolarHBondContact O-CA 3.35Å; T2109-R2115 HydrophobicContact CG2-CG 4.3Å
2116I78.8Confident80.3Confident13.2 Ų13.241 Ų417%0.06822%0.224CC..EExtended strand (participates in β ladder)trans-93118.6179.5-57.6169.3000108.2P2069 C2072 R2073 L2107 L2108 L2110 E2114P2069-I2116 HydrophobicContact CB-CD1 4.42Å; C2072-I2116 HydrophobicContact CB-CG2 4.35Å; R2073-I2116 HydrophobicContact CB-CD1 4.37Å; R2073-I2116 HydrophobicContact CG-CD1 3.72Å; R2073-I2116 HydrophobicContact CG-CG1 4.2Å; R2073-I2116 HydrophobicContact CG-CG2 4.46Å; L2107-I2116 CarbonylContact C-O 3.41Å; L2107-I2116 WeakPolarHBondContact CA-O 3.31Å; L2108-I2116 HydrophobicContact CB-CB 4.32Å; L2108-I2116 HydrophobicContact CD2-CD1 4.32Å; L2108-I2116 PolarHBondContact N-O 2.96Å; L2108-I2116 PolarHBondContact O-N 3.22Å; L2110-I2116 HydrophobicContact CD1-CD1 3.94Å; L2110-I2116 HydrophobicContact CD1-CG1 4.45Å; L2110-I2116 HydrophobicContact CG-CD1 4.43Å; E2114-I2116 HydrophobicContact CG-CG1 4.32Å; E2114-I2116 WeakPolarHBondContact OE1-CG1 3.33Å
2117R79.4Confident81Confident166.6 Ų166.638.1 Ų38.163%0.62921%0.211SC*.EExtended strand (participates in β ladder)trans-83.2127.6175.6-168178-175.3-172.6-1109.8L2107L2107-R2117 HydrophobicContact CD1-CB 4.15Å; L2107-R2117 HydrophobicContact CD2-CB 3.82Å; L2107-R2117 HydrophobicContact CD2-CG 4.1Å
2118I81.3Confident81.6Confident3.2 Ų3.236.1 Ų36.12%0.01620%0.201CC..PPolyproline II helixtrans-98.6122.7-179.1-64.8168.9000107.7T2007 C2072 V2101 K2106 L2108 V2122 F2124T2007-I2118 HydrophobicContact CG2-CG2 4.37Å; C2072-I2118 HydrophobicContact CB-CD1 4.42Å; V2101-I2118 HydrophobicContact CB-CD1 4.09Å; V2101-I2118 HydrophobicContact CG1-CD1 3.37Å; V2101-I2118 VanDerWaalsContact CG1-CD1 3.44Å; V2101-I2118 HydrophobicContact CG2-CD1 3.65Å; K2106-I2118 HydrophobicContact CB-CB 4.43Å; K2106-I2118 VanDerWaalsContact CB-O 3.3Å; K2106-I2118 WeakPolarHBondContact CB-O 3.43Å; K2106-I2118 PolarHBondContact O-N 3.2Å; L2108-I2118 HydrophobicContact CB-CD1 4.12Å; I2118-V2122 HydrophobicContact CG2-CB 3.59Å; I2118-V2122 HydrophobicContact CG2-CG1 4.07Å; I2118-V2122 HydrophobicContact CG2-CG2 4.04Å; I2118-F2124 HydrophobicContact CD1-CE2 4.14Å; I2118-F2124 HydrophobicContact CD1-CZ 4.22Å; I2118-F2124 HydrophobicContact CG2-CE2 4.45Å
2119G76.2Confident81.7Confident28.2 Ų28.238.6 Ų38.629%0.29122%0.216SC..PPolyproline II helixtrans-70.8172.9178.300000112.5N2121 V2122G2119-N2121 VanDerWaalsContact CA-OD1 3.27Å; G2119-N2121 WeakPolarHBondContact CA-OD1 3.37Å; G2119-N2121 PolarHBondContact O-N 3.32Å; G2119-V2122 PolarHBondContact O-N 2.98Å
2120S78.7Confident82Confident104.8 Ų104.839.7 Ų39.773%0.73322%0.22SC*.THydrogen-bonded Turntrans-69.8-8.4170.649.10000113.4V2122S2120-V2122 VanDerWaalsContact C-N 3.31Å; S2120-V2122 PolarHBondContact O-N 2.9Å
2121N84.8Confident82.2Confident35.2 Ų35.239.5 Ų39.519%0.18822%0.22CC..THydrogen-bonded Turntrans-82.12.3175.868.9-43.6000113.5S2075 E2078 V2080 W2081 S2082 G2119S2075-N2121 PolarHBondContact O-ND2 3.1Å; S2075-N2121 VanDerWaalsContact O-ND2 3.08Å; E2078-N2121 PolarHBondContact O-ND2 3.14Å; V2080-N2121 PolarHBondContact O-ND2 2.86Å; W2081-N2121 CarbonylContact C-O 3.55Å; W2081-N2121 VanDerWaalsContact CA-O 3.32Å; W2081-N2121 WeakPolarHBondContact CA-O 3.37Å; W2081-N2121 VanDerWaalsContact CD1-O 3.28Å; S2082-N2121 PolarHBondContact N-O 3.28Å; G2119-N2121 VanDerWaalsContact CA-OD1 3.27Å; G2119-N2121 WeakPolarHBondContact CA-OD1 3.37Å; G2119-N2121 PolarHBondContact O-N 3.32Å
2122V88.9Confident82.5Confident2 Ų242.8 Ų42.81%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-121.1129.1177.9-173.70000109.6T2007 S2082 I2084 I2118 G2119 S2120 F2124T2007-V2122 WeakPolarHBondContact CG2-O 3.43Å; S2082-V2122 WeakPolarHBondContact O-CA 3.36Å; I2084-V2122 HydrophobicContact CD1-CG1 3.77Å; I2084-V2122 HydrophobicContact CG1-CG1 4.23Å; I2118-V2122 HydrophobicContact CG2-CB 3.59Å; I2118-V2122 HydrophobicContact CG2-CG1 4.07Å; I2118-V2122 HydrophobicContact CG2-CG2 4.04Å; G2119-V2122 PolarHBondContact O-N 2.98Å; S2120-V2122 VanDerWaalsContact C-N 3.31Å; S2120-V2122 PolarHBondContact O-N 2.9Å; V2122-F2124 HydrophobicContact CG1-CD2 4.47Å; V2122-F2124 HydrophobicContact CG1-CE2 4.13Å
2123S91.2Very high82.7Confident3.2 Ų3.243.4 Ų43.42%0.02223%0.234CC..EExtended strand (participates in β ladder)trans-127.9134.7175.5-56.50000110.2T2007 W2081 S2082 F2083 I2084T2007-S2123 CarbonylContact O-C 3.53Å; T2007-S2123 WeakPolarHBondContact O-CA 3.41Å; W2081-S2123 PolarHBondContact NE1-OG 2.98Å; S2082-S2123 PolarHBondContact O-N 3.25Å; F2083-S2123 CarbonylContact C-O 3.56Å; F2083-S2123 WeakPolarHBondContact CA-O 3.4Å; I2084-S2123 PolarHBondContact N-O 3.09Å
2124F93.2Very high83.1Confident0 Ų041.9 Ų41.90%022%0.218CC..EExtended strand (participates in β ladder)trans-96.6130.6175-66.8-98.1000109.7T2007 G2008 V2009 L2068 I2084 V2101 F2102 I2118 V2122 F2126T2007-F2124 HydrophobicContact CG2-CD2 4.14Å; T2007-F2124 HydrophobicContact CG2-CE2 4.41Å; T2007-F2124 PolarHBondContact O-N 3.07Å; G2008-F2124 CarbonylContact C-O 3.46Å; G2008-F2124 WeakPolarHBondContact CA-O 3.37Å; V2009-F2124 PolarHBondContact N-O 3.03Å; L2068-F2124 HydrophobicContact CD2-CE1 4.12Å; I2084-F2124 HydrophobicContact CB-CD1 3.83Å; I2084-F2124 HydrophobicContact CB-CE1 4.03Å; I2084-F2124 HydrophobicContact CB-CG 4.39Å; I2084-F2124 HydrophobicContact CD1-CD1 4.36Å; I2084-F2124 HydrophobicContact CD1-CE1 3.72Å; I2084-F2124 HydrophobicContact CD1-CE2 4.38Å; I2084-F2124 HydrophobicContact CD1-CZ 3.82Å; I2084-F2124 HydrophobicContact CG1-CE1 4.45Å; I2084-F2124 HydrophobicContact CG2-CD1 3.85Å; I2084-F2124 HydrophobicContact CG2-CE1 3.91Å; I2084-F2124 CarbonylContact O-C 3.44Å; I2084-F2124 WeakPolarHBondContact O-CA 3.36Å; V2101-F2124 HydrophobicContact CG1-CD2 4.21Å; V2101-F2124 HydrophobicContact CG1-CE2 3.6Å; V2101-F2124 HydrophobicContact CG1-CZ 4.18Å; F2102-F2124 HydrophobicContact CE1-CB 4.07Å; F2102-F2124 AromaticContact CE1-CD2 3.98Å; F2102-F2124 HydrophobicContact CE1-CD2 4.04Å; F2102-F2124 AromaticContact CE1-CG 3.95Å; F2102-F2124 HydrophobicContact CE1-CG 4.06Å; F2102-F2124 HydrophobicContact CZ-CB 4.5Å; I2118-F2124 HydrophobicContact CD1-CE2 4.14Å; I2118-F2124 HydrophobicContact CD1-CZ 4.22Å; I2118-F2124 HydrophobicContact CG2-CE2 4.45Å; V2122-F2124 HydrophobicContact CG1-CD2 4.47Å; V2122-F2124 HydrophobicContact CG1-CE2 4.13Å; F2124-F2126 HydrophobicContact CB-CD2 4.42Å; F2124-F2126 HydrophobicContact CB-CE2 3.6Å; F2124-F2126 VanDerWaalsContact CB-CE2 3.48Å; F2124-F2126 HydrophobicContact CB-CZ 3.97Å; F2124-F2126 HydrophobicContact CD1-CZ 4.32Å; F2124-F2126 HydrophobicContact CG-CE2 4.43Å; F2124-F2126 HydrophobicContact CG-CZ 4.47Å
2125I94.5Very high83.2Confident0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-117.7126176.2-60.5175.9000107.4L2003 V2009 I2011 W2023 F2083 I2084 V2085 C2086L2003-I2125 HydrophobicContact CD1-CD1 4.25Å; L2003-I2125 HydrophobicContact CD2-CD1 4.2Å; L2003-I2125 HydrophobicContact CD2-CG1 3.88Å; V2009-I2125 CarbonylContact O-C 3.48Å; V2009-I2125 WeakPolarHBondContact O-CA 3.32Å; I2011-I2125 HydrophobicContact CD1-CG2 3.71Å; I2011-I2125 HydrophobicContact CG1-CG2 4.1Å; W2023-I2125 HydrophobicContact CB-CD1 4.1Å; W2023-I2125 HydrophobicContact CG-CD1 4.45Å; F2083-I2125 HydrophobicContact CB-CD1 4.29Å; F2083-I2125 HydrophobicContact CD2-CD1 3.92Å; F2083-I2125 HydrophobicContact CE2-CD1 4.36Å; F2083-I2125 HydrophobicContact CG-CD1 4.05Å; I2084-I2125 PolarHBondContact O-N 3.15Å; V2085-I2125 CarbonylContact C-O 3.57Å; V2085-I2125 WeakPolarHBondContact CA-O 3.33Å; V2085-I2125 HydrophobicContact CG1-CB 4.34Å; V2085-I2125 HydrophobicContact CG1-CG2 4.3Å; V2085-I2125 HydrophobicContact CG2-CB 4.25Å; V2085-I2125 HydrophobicContact CG2-CD1 4.38Å; C2086-I2125 PolarHBondContact N-O 3.21Å
2126F93.8Very high83Confident0.4 Ų0.436.7 Ų36.70%0.00221%0.205CC..EExtended strand (participates in β ladder)trans-112.9118.2177.4-62.2-86.6000109.2V2009 I2010 I2011 C2086 I2090 W2094 I2095 L2098 F2102 F2124 M2142V2009-F2126 PolarHBondContact O-N 3.04Å; I2010-F2126 CarbonylContact C-O 3.51Å; I2010-F2126 WeakPolarHBondContact CA-O 3.43Å; I2010-F2126 HydrophobicContact CB-CB 4.44Å; I2010-F2126 HydrophobicContact CG1-CB 4.05Å; I2010-F2126 HydrophobicContact CG1-CD2 4.33Å; I2010-F2126 HydrophobicContact CG1-CG 4.47Å; I2010-F2126 HydrophobicContact CG2-CB 4.39Å; I2011-F2126 PolarHBondContact N-O 3.31Å; C2086-F2126 HydrophobicContact CB-CD1 3.57Å; C2086-F2126 HydrophobicContact CB-CE1 3.79Å; C2086-F2126 HydrophobicContact CB-CG 4.43Å; C2086-F2126 WeakPolarHBondContact O-CA 3.32Å; I2090-F2126 HydrophobicContact CD1-CB 4.25Å; I2090-F2126 HydrophobicContact CD1-CD1 4.43Å; I2090-F2126 HydrophobicContact CD1-CG 4.28Å; I2090-F2126 HydrophobicContact CG1-CD1 4.39Å; W2094-F2126 AromaticContact CH2-CD1 3.99Å; W2094-F2126 HydrophobicContact CH2-CD1 4.06Å; W2094-F2126 AromaticContact CH2-CE1 3.76Å; W2094-F2126 HydrophobicContact CH2-CE1 3.76Å; W2094-F2126 HydrophobicContact CZ3-CD1 4.46Å; W2094-F2126 AromaticContact CZ3-CE1 3.8Å; W2094-F2126 HydrophobicContact CZ3-CE1 3.8Å; W2094-F2126 HydrophobicContact CZ3-CZ 4.47Å; I2095-F2126 HydrophobicContact CD1-CD1 4.4Å; I2095-F2126 HydrophobicContact CD1-CE1 3.81Å; I2095-F2126 HydrophobicContact CD1-CE2 4.42Å; I2095-F2126 HydrophobicContact CD1-CZ 3.9Å; L2098-F2126 HydrophobicContact CD1-CZ 4.33Å; F2102-F2126 AromaticContact CE1-CE2 3.99Å; F2102-F2126 HydrophobicContact CE1-CE2 4.07Å; F2102-F2126 HydrophobicContact CE1-CZ 4.35Å; F2102-F2126 HydrophobicContact CE2-CE2 4.43Å; F2102-F2126 HydrophobicContact CE2-CZ 4.36Å; F2102-F2126 AromaticContact CZ-CE2 3.71Å; F2102-F2126 HydrophobicContact CZ-CE2 3.71Å; F2102-F2126 AromaticContact CZ-CZ 3.66Å; F2102-F2126 HydrophobicContact CZ-CZ 3.66Å; F2124-F2126 HydrophobicContact CB-CD2 4.42Å; F2124-F2126 HydrophobicContact CB-CE2 3.6Å; F2124-F2126 VanDerWaalsContact CB-CE2 3.48Å; F2124-F2126 HydrophobicContact CB-CZ 3.97Å; F2124-F2126 HydrophobicContact CD1-CZ 4.32Å; F2124-F2126 HydrophobicContact CG-CE2 4.43Å; F2124-F2126 HydrophobicContact CG-CZ 4.47Å; F2126-M2142 HydrophobicContact CD2-CE 3.83Å; F2126-M2142 HydrophobicContact CD2-SD 4.09Å; F2126-M2142 HydrophobicContact CE2-CE 3.61Å; F2126-M2142 HydrophobicContact CE2-SD 4.2Å; F2126-M2142 HydrophobicContact CG-CE 3.86Å; F2126-M2142 HydrophobicContact CZ-CE 4.22Å
2127E93.1Very high82.7Confident3 Ų336.6 Ų36.61%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-93.7112.7173-65.4-171.6-141.300109.3K2019 T2020 W2023 V2085 C2086 G2088K2019-E2127 HydrophobicContact CB-CG 4.26Å; K2019-E2127 VanDerWaalsContact CB-OE2 3.28Å; K2019-E2127 WeakPolarHBondContact CB-OE2 3.38Å; K2019-E2127 HydrophobicContact CD-CB 4.35Å; T2020-E2127 WeakPolarHBondContact CA-OE1 3.45Å; T2020-E2127 VanDerWaalsContact CA-OE2 3.28Å; T2020-E2127 WeakPolarHBondContact CA-OE2 3.43Å; T2020-E2127 WeakPolarHBondContact CB-OE2 3.39Å; T2020-E2127 WeakPolarHBondContact CG2-OE1 3.41Å; T2020-E2127 PolarHBondContact N-OE2 3.25Å; T2020-E2127 VanDerWaalsContact N-OE2 3.1Å; T2020-E2127 PolarHBondContact OG1-OE1 3.05Å; T2020-E2127 PolarHBondContact OG1-OE2 3.22Å; W2023-E2127 PolarHBondContact NE1-OE1 3.1Å; V2085-E2127 HydrophobicContact CG1-CG 4.43Å; C2086-E2127 PolarHBondContact O-N 3.19Å; G2088-E2127 PolarHBondContact N-O 3.24Å; G2088-E2127 VanDerWaalsContact N-O 3.15Å; G2088-E2127 VanDerWaalsContact O-O 3.05Å
2128C89.8Confident82.7Confident1.2 Ų1.228.8 Ų28.81%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-129146.7-177.5-55.20000111.6I2010 I2011 L2012 G2013 K2019 G2088 I2090I2010-C2128 HydrophobicContact CG2-CB 4.35Å; I2011-C2128 PolarHBondContact O-N 3.06Å; L2012-C2128 WeakPolarHBondContact CA-O 3.29Å; L2012-C2128 HydrophobicContact CD1-CB 4.45Å; L2012-C2128 HydrophobicContact CD2-CB 3.99Å; G2013-C2128 PolarHBondContact N-O 3.08Å; G2013-C2128 VanDerWaalsContact N-O 3.16Å; K2019-C2128 VanDerWaalsContact NZ-C 3.34Å; K2019-C2128 PolarHBondContact NZ-O 2.86Å; G2088-C2128 PolarHBondContact O-SG 3.22Å; G2088-C2128 VanDerWaalsContact O-SG 3.42Å; I2090-C2128 VanDerWaalsContact CD1-SG 3.54Å; I2090-C2128 WeakPolarHBondContact CD1-SG 3.47Å; I2090-C2128 VanDerWaalsContact CG1-SG 3.56Å
2129T86.1Confident82.6Confident56 Ų5628.8 Ų28.834%0.34418%0.178SC..SBendtrans-81.6-48.7170.8250000110.9G2013 E2089G2013-T2129 WeakPolarHBondContact O-CA 3.35Å; E2089-T2129 PolarHBondContact OE1-OG1 3.2Å
2130N81.2Confident82.7Confident67.6 Ų67.628 Ų2836%0.36117%0.168SC..  trans-139.5169.2-178.1-22.4-17.7000110.8E2089 H2132E2089-N2130 PolarHBondContact OE1-ND2 2.88Å; N2130-H2132 WeakPolarHBondContact CB-ND1 3.35Å; N2130-H2132 VanDerWaalsContact CG-ND1 3.29Å; N2130-H2132 PolarHBondContact ND2-ND1 3.5Å; N2130-H2132 PolarHBondContact OD1-ND1 3.43Å
2131L80Confident82.8Confident9.6 Ų9.624.9 Ų24.95%0.0514%0.14CC..  trans-123.117.4-178.2-72169.6000113.7Q1891 H1892 I2010 L2012 I2090 S2133 A2134 V2139 F2144Q1891-L2131 VanDerWaalsContact CD-O 3.26Å; Q1891-L2131 PolarHBondContact NE2-O 3.34Å; Q1891-L2131 VanDerWaalsContact OE1-C 3.29Å; Q1891-L2131 PolarHBondContact OE1-O 3.09Å; H1892-L2131 HydrophobicContact CB-CD1 3.81Å; I2010-L2131 HydrophobicContact CD1-CD2 4.27Å; I2010-L2131 HydrophobicContact CG2-CD2 4.47Å; L2012-L2131 HydrophobicContact CD1-CD1 3.79Å; L2012-L2131 HydrophobicContact CD1-CG 4.24Å; L2012-L2131 HydrophobicContact CD2-CD1 3.8Å; L2012-L2131 HydrophobicContact CD2-CD2 4.02Å; L2012-L2131 HydrophobicContact CD2-CG 3.64Å; L2012-L2131 HydrophobicContact CG-CD1 4.32Å; I2090-L2131 HydrophobicContact CD1-CD2 4.03Å; L2131-S2133 PolarHBondContact O-N 3.2Å; L2131-S2133 VanDerWaalsContact O-N 3.11Å; L2131-A2134 HydrophobicContact CB-CB 4.25Å; L2131-A2134 HydrophobicContact CD2-CB 3.88Å; L2131-A2134 WeakPolarHBondContact O-CB 3.37Å; L2131-A2134 PolarHBondContact O-N 3.16Å; L2131-V2139 HydrophobicContact CD1-CG2 4.41Å; L2131-F2144 HydrophobicContact CD1-CD1 4.38Å; L2131-F2144 HydrophobicContact CD1-CE1 3.77Å; L2131-F2144 HydrophobicContact CD1-CZ 4.37Å; L2131-F2144 HydrophobicContact CD2-CE1 4.46Å
2132H76.7Confident82.9Confident141.2 Ų141.223.3 Ų23.365%0.65413%0.131SC*.THydrogen-bonded Turntrans-51.4-40.3-172.4-62.3111.2000113.4Q1891 N2130Q1891-H2132 PolarHBondContact NE2-O 3.08Å; N2130-H2132 WeakPolarHBondContact CB-ND1 3.35Å; N2130-H2132 VanDerWaalsContact CG-ND1 3.29Å; N2130-H2132 PolarHBondContact ND2-ND1 3.5Å; N2130-H2132 PolarHBondContact OD1-ND1 3.43Å
2133S72.7Confident82.8Confident57.2 Ų57.223.2 Ų23.240%0.413%0.131SC..THydrogen-bonded Turntrans-84.6-14.9-179-13.30000114I2090 P2092 L2131I2090-S2133 WeakPolarHBondContact O-CB 3.4Å; I2090-S2133 PolarHBondContact O-OG 3.17Å; P2092-S2133 VanDerWaalsContact CD-O 3.29Å; P2092-S2133 WeakPolarHBondContact CD-O 3.38Å; P2092-S2133 VanDerWaalsContact CG-O 3.22Å; P2092-S2133 WeakPolarHBondContact CG-O 3.16Å; L2131-S2133 PolarHBondContact O-N 3.2Å; L2131-S2133 VanDerWaalsContact O-N 3.11Å
2134A76.4Confident82.7Confident4.2 Ų4.223.4 Ų23.44%0.03513%0.132CC..SBendtrans-78.3132.6-173.100000112Q1891 I2090 L2131 V2139Q1891-A2134 PolarHBondContact NE2-O 3.13Å; I2090-A2134 HydrophobicContact CB-CB 4.18Å; I2090-A2134 HydrophobicContact CG2-CB 3.94Å; L2131-A2134 HydrophobicContact CB-CB 4.25Å; L2131-A2134 HydrophobicContact CD2-CB 3.88Å; L2131-A2134 WeakPolarHBondContact O-CB 3.37Å; L2131-A2134 PolarHBondContact O-N 3.16Å; A2134-V2139 HydrophobicContact CB-CG2 4.09Å
2135S75Confident82.5Confident11.4 Ų11.423.4 Ų23.48%0.0813%0.132CC..  trans-70140.2178.388.80000111E2096 A2137 T2138 V2139E2096-S2135 WeakPolarHBondContact OE1-CB 3.45Å; E2096-S2135 PolarHBondContact OE1-OG 3.42Å; S2135-A2137 PolarHBondContact O-N 3.3Å; S2135-A2137 VanDerWaalsContact O-N 3.09Å; S2135-A2137 PolarHBondContact OG-N 2.88Å; S2135-T2138 WeakPolarHBondContact O-CA 3.48Å; S2135-T2138 WeakPolarHBondContact O-CB 3.42Å; S2135-T2138 PolarHBondContact O-N 3.11Å; S2135-T2138 VanDerWaalsContact O-N 3.12Å; S2135-T2138 WeakPolarHBondContact OG-CB 3.42Å; S2135-T2138 PolarHBondContact OG-N 3.22Å; S2135-T2138 VanDerWaalsContact OG-N 3.12Å; S2135-T2138 PolarHBondContact OG-OG1 3.18Å; S2135-V2139 WeakPolarHBondContact O-CG2 3.43Å; S2135-V2139 PolarHBondContact O-N 3.25Å; S2135-V2139 VanDerWaalsContact O-N 3.09Å
2136P71.9Confident82.2Confident61.6 Ų61.626.2 Ų26.240%0.414%0.142SC..Hα-helixtrans-56.4-27.5175.1-2734.5000113.2H1812 Y1813 S2140H1812-P2136 HydrophobicContact CB-CG 4.39Å; H1812-P2136 WeakPolarHBondContact O-CD 3.22Å; Y1813-P2136 HydrophobicContact CE1-CG 4.4Å; P2136-S2140 WeakPolarHBondContact O-CB 3.35Å; P2136-S2140 PolarHBondContact O-N 3.15Å; P2136-S2140 PolarHBondContact O-OG 2.92Å
2137A72.7Confident81.9Confident12.6 Ų12.626.4 Ų26.410%0.10414%0.144CC..Hα-helixtrans-67.3-39.7177.900000112.4T1706 R1898 S2135 S2140 R2141T1706-A2137 HydrophobicContact CG2-CB 3.94Å; R1898-A2137 PolarHBondContact NH1-O 3.45Å; S2135-A2137 PolarHBondContact O-N 3.3Å; S2135-A2137 VanDerWaalsContact O-N 3.09Å; S2135-A2137 PolarHBondContact OG-N 2.88Å; A2137-S2140 PolarHBondContact O-OG 3.38Å; A2137-R2141 WeakPolarHBondContact O-CG 3.17Å; A2137-R2141 PolarHBondContact O-NE 3.07Å; A2137-R2141 PolarHBondContact O-NH1 3.09Å
2138T78.4Confident81.1Confident1.4 Ų1.427.1 Ų27.11%0.00915%0.148CC..Hα-helixtrans-71.5-46.5175.4-590000110.5I2095 N2099 S2135 S2140 R2141 M2142I2095-T2138 HydrophobicContact CB-CG2 4.45Å; I2095-T2138 HydrophobicContact CD1-CG2 4.41Å; I2095-T2138 HydrophobicContact CG1-CG2 3.48Å; I2095-T2138 VanDerWaalsContact CG1-CG2 3.47Å; I2095-T2138 HydrophobicContact CG2-CG2 4.16Å; N2099-T2138 PolarHBondContact OD1-OG1 3.18Å; S2135-T2138 WeakPolarHBondContact O-CA 3.48Å; S2135-T2138 WeakPolarHBondContact O-CB 3.42Å; S2135-T2138 PolarHBondContact O-N 3.11Å; S2135-T2138 VanDerWaalsContact O-N 3.12Å; S2135-T2138 WeakPolarHBondContact OG-CB 3.42Å; S2135-T2138 PolarHBondContact OG-N 3.22Å; S2135-T2138 VanDerWaalsContact OG-N 3.12Å; S2135-T2138 PolarHBondContact OG-OG1 3.18Å; T2138-S2140 VanDerWaalsContact C-N 3.31Å; T2138-S2140 PolarHBondContact O-N 3.13Å; T2138-R2141 WeakPolarHBondContact O-CB 3.38Å; T2138-R2141 PolarHBondContact O-N 3.15Å; T2138-R2141 VanDerWaalsContact O-N 3.1Å; T2138-M2142 HydrophobicContact CG2-CE 3.48Å; T2138-M2142 VanDerWaalsContact CG2-CE 3.47Å; T2138-M2142 HydrophobicContact CG2-SD 4.11Å; T2138-M2142 VanDerWaalsContact CG2-SD 3.57Å; T2138-M2142 WeakPolarHBondContact O-CG 3.45Å; T2138-M2142 PolarHBondContact O-N 2.97Å
2139V80.4Confident80Confident3.6 Ų3.630.2 Ų30.22%0.02217%0.167CC..Hα-helixtrans-52.5-47.8176.1167.50000110.8H1892 L2131 A2134 S2135 R2141 M2142 F2144H1892-V2139 HydrophobicContact CB-CG1 4.08Å; L2131-V2139 HydrophobicContact CD1-CG2 4.41Å; A2134-V2139 HydrophobicContact CB-CG2 4.09Å; S2135-V2139 WeakPolarHBondContact O-CG2 3.43Å; S2135-V2139 PolarHBondContact O-N 3.25Å; S2135-V2139 VanDerWaalsContact O-N 3.09Å; V2139-R2141 VanDerWaalsContact C-N 3.25Å; V2139-R2141 PolarHBondContact O-N 3.09Å; V2139-R2141 VanDerWaalsContact O-N 3.1Å; V2139-M2142 PolarHBondContact O-N 3.05Å; V2139-M2142 VanDerWaalsContact O-N 3.12Å; V2139-F2144 HydrophobicContact CB-CE2 4.39Å; V2139-F2144 HydrophobicContact CB-CZ 4.03Å; V2139-F2144 HydrophobicContact CG1-CE1 4.16Å; V2139-F2144 HydrophobicContact CG1-CE2 3.79Å; V2139-F2144 HydrophobicContact CG1-CZ 3.43Å; V2139-F2144 HydrophobicContact CG2-CZ 4.24Å; V2139-F2144 VanDerWaalsContact O-CE2 3.28Å; V2139-F2144 WeakPolarHBondContact O-CE2 3.26Å; V2139-F2144 WeakPolarHBondContact O-CZ 3.26Å
2140S78Confident78.9Confident11.8 Ų11.829.8 Ų29.88%0.08318%0.175CC..Hα-helixtrans-58.8-25.2-179.670.60000115.5D1894 R1898 R2006 P2136 A2137 T2138D1894-S2140 WeakPolarHBondContact OD2-CA 3.49Å; D1894-S2140 WeakPolarHBondContact OD2-CB 3.38Å; R1898-S2140 PolarHBondContact NH1-OG 3.1Å; R2006-S2140 PolarHBondContact NH1-O 3.29Å; P2136-S2140 WeakPolarHBondContact O-CB 3.35Å; P2136-S2140 PolarHBondContact O-N 3.15Å; P2136-S2140 PolarHBondContact O-OG 2.92Å; A2137-S2140 PolarHBondContact O-OG 3.38Å; T2138-S2140 VanDerWaalsContact C-N 3.31Å; T2138-S2140 PolarHBondContact O-N 3.13Å
2141R80.2Confident77.9Confident39.2 Ų39.226.8 Ų26.815%0.14816%0.159CC..Hα-helixtrans-84.9-22.6-176.4-63.8177.3-175.8-179.3-6.8112.6R2006 N2099 F2102 D2103 A2137 T2138 V2139R2006-R2141 PolarHBondContact NH1-O 2.91Å; N2099-R2141 VanDerWaalsContact C-NH1 3.35Å; N2099-R2141 PolarHBondContact ND2-NH1 3.27Å; N2099-R2141 WeakPolarHBondContact O-CD 3.43Å; N2099-R2141 PolarHBondContact O-NH1 2.92Å; N2099-R2141 PolarHBondContact OD1-NH1 2.89Å; F2102-R2141 HydrophobicContact CB-CB 3.81Å; F2102-R2141 HydrophobicContact CB-CG 4.5Å; D2103-R2141 VanDerWaalsContact CG-NE 3.32Å; D2103-R2141 IonicContact OD1-CZ 3.47Å; D2103-R2141 IonicContact OD1-NE 2.78Å; D2103-R2141 PolarHBondContact OD1-NE 3.21Å; D2103-R2141 IonicContact OD1-NH1 3.29Å; D2103-R2141 PolarHBondContact OD1-NH1 2.91Å; D2103-R2141 VanDerWaalsContact OD1-NH1 3.1Å; D2103-R2141 IonicContact OD1-NH2 3.75Å; D2103-R2141 IonicContact OD2-CZ 3.19Å; D2103-R2141 IonicContact OD2-NE 3.94Å; D2103-R2141 PolarHBondContact OD2-NE 3.21Å; D2103-R2141 IonicContact OD2-NH1 2.97Å; D2103-R2141 PolarHBondContact OD2-NH1 3.15Å; D2103-R2141 IonicContact OD2-NH2 3.5Å; D2103-R2141 PolarHBondContact OD2-NH2 3.28Å; D2103-R2141 VanDerWaalsContact OD2-NH2 3.15Å; A2137-R2141 WeakPolarHBondContact O-CG 3.17Å; A2137-R2141 PolarHBondContact O-NE 3.07Å; A2137-R2141 PolarHBondContact O-NH1 3.09Å; T2138-R2141 WeakPolarHBondContact O-CB 3.38Å; T2138-R2141 PolarHBondContact O-N 3.15Å; T2138-R2141 VanDerWaalsContact O-N 3.1Å; V2139-R2141 VanDerWaalsContact C-N 3.25Å; V2139-R2141 PolarHBondContact O-N 3.09Å; V2139-R2141 VanDerWaalsContact O-N 3.1Å
2142M86.6Confident77.2Confident2.2 Ų2.227.6 Ų27.61%0.01117%0.165CC..SBendtrans-98.4155.6-172.3-61.8175.5146.600112R2006 G2008 I2010 I2095 F2102 F2126 T2138 V2139 F2144R2006-M2142 VanDerWaalsContact CD-C 3.46Å; R2006-M2142 PolarHBondContact NH1-O 3.21Å; G2008-M2142 CarbonylContact O-C 3.55Å; G2008-M2142 VanDerWaalsContact O-CA 3.28Å; G2008-M2142 WeakPolarHBondContact O-CA 3.39Å; I2010-M2142 HydrophobicContact CD1-CB 4.1Å; I2010-M2142 HydrophobicContact CD1-CE 3.86Å; I2010-M2142 HydrophobicContact CD1-CG 4.37Å; I2010-M2142 HydrophobicContact CD1-SD 3.45Å; I2010-M2142 WeakPolarHBondContact CD1-SD 3.44Å; I2010-M2142 HydrophobicContact CG1-CB 4.18Å; I2010-M2142 HydrophobicContact CG1-CE 3.51Å; I2010-M2142 HydrophobicContact CG1-CG 4.48Å; I2010-M2142 HydrophobicContact CG1-SD 3.7Å; I2010-M2142 VanDerWaalsContact CG1-SD 3.51Å; I2010-M2142 WeakPolarHBondContact CG1-SD 3.4Å; I2095-M2142 HydrophobicContact CD1-CE 3.69Å; I2095-M2142 HydrophobicContact CG1-CE 3.89Å; F2102-M2142 HydrophobicContact CD2-CE 3.45Å; F2102-M2142 VanDerWaalsContact CD2-CE 3.43Å; F2102-M2142 HydrophobicContact CD2-CG 4.38Å; F2102-M2142 HydrophobicContact CD2-SD 4.08Å; F2102-M2142 HydrophobicContact CE1-CE 4.38Å; F2102-M2142 HydrophobicContact CE2-CE 3.59Å; F2102-M2142 HydrophobicContact CE2-SD 4.19Å; F2102-M2142 HydrophobicContact CG-CE 4.23Å; F2102-M2142 HydrophobicContact CG-CG 4.39Å; F2102-M2142 HydrophobicContact CZ-CE 3.86Å; F2126-M2142 HydrophobicContact CD2-CE 3.83Å; F2126-M2142 HydrophobicContact CD2-SD 4.09Å; F2126-M2142 HydrophobicContact CE2-CE 3.61Å; F2126-M2142 HydrophobicContact CE2-SD 4.2Å; F2126-M2142 HydrophobicContact CG-CE 3.86Å; F2126-M2142 HydrophobicContact CZ-CE 4.22Å; T2138-M2142 HydrophobicContact CG2-CE 3.48Å; T2138-M2142 VanDerWaalsContact CG2-CE 3.47Å; T2138-M2142 HydrophobicContact CG2-SD 4.11Å; T2138-M2142 VanDerWaalsContact CG2-SD 3.57Å; T2138-M2142 WeakPolarHBondContact O-CG 3.45Å; T2138-M2142 PolarHBondContact O-N 2.97Å; V2139-M2142 PolarHBondContact O-N 3.05Å; V2139-M2142 VanDerWaalsContact O-N 3.12Å; M2142-F2144 WeakPolarHBondContact O-CE2 3.3Å
2143G86.3Confident76.8Confident0.8 Ų0.822.2 Ų22.21%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-77.8159.1165.900000110.3Q2002 R2006 G2008 V2009 I2010Q2002-G2143 VanDerWaalsContact OE1-CA 3.29Å; R2006-G2143 VanDerWaalsContact CD-N 3.27Å; G2008-G2143 PolarHBondContact O-N 3.16Å; V2009-G2143 CarbonylContact C-O 3.54Å; V2009-G2143 WeakPolarHBondContact CA-O 3.36Å; I2010-G2143 PolarHBondContact N-O 3.08Å
2144F89.1Confident76.9Confident7.4 Ų7.420.9 Ų20.93%0.03214%0.136CC..EExtended strand (participates in β ladder)trans-130.4141.9177.6-72-87.3000111H1892 S1942 K1943 I2010 L2012 L2131 V2139 M2142H1892-F2144 HydrophobicContact CB-CD1 4.05Å; H1892-F2144 HydrophobicContact CB-CD2 4.43Å; H1892-F2144 HydrophobicContact CB-CE1 3.81Å; H1892-F2144 HydrophobicContact CB-CE2 4.22Å; H1892-F2144 HydrophobicContact CB-CG 4.31Å; H1892-F2144 HydrophobicContact CB-CZ 4.1Å; S1942-F2144 CarbonylContact C-O 3.5Å; S1942-F2144 WeakPolarHBondContact CB-O 3.4Å; S1942-F2144 PolarHBondContact OG-O 3.14Å; K1943-F2144 HydrophobicContact CB-CB 3.57Å; K1943-F2144 HydrophobicContact CB-CD2 4.48Å; K1943-F2144 HydrophobicContact CB-CG 4.27Å; K1943-F2144 HydrophobicContact CD-CD2 4.4Å; K1943-F2144 HydrophobicContact CG-CB 4.13Å; I2010-F2144 HydrophobicContact CB-CD1 3.87Å; I2010-F2144 HydrophobicContact CB-CE1 3.79Å; I2010-F2144 HydrophobicContact CB-CZ 4.48Å; I2010-F2144 HydrophobicContact CD1-CD1 4.36Å; I2010-F2144 HydrophobicContact CD1-CE1 3.44Å; I2010-F2144 VanDerWaalsContact CD1-CE1 3.45Å; I2010-F2144 HydrophobicContact CD1-CZ 3.62Å; I2010-F2144 HydrophobicContact CG1-CE1 4.12Å; I2010-F2144 HydrophobicContact CG1-CZ 4.44Å; I2010-F2144 HydrophobicContact CG2-CD1 4.3Å; I2010-F2144 HydrophobicContact CG2-CE1 4.16Å; I2010-F2144 CarbonylContact O-C 3.57Å; I2010-F2144 VanDerWaalsContact O-CA 3.28Å; I2010-F2144 WeakPolarHBondContact O-CA 3.26Å; L2012-F2144 HydrophobicContact CD1-CD1 3.72Å; L2012-F2144 HydrophobicContact CD1-CE1 4.09Å; L2012-F2144 HydrophobicContact CG-CD1 4.18Å; L2131-F2144 HydrophobicContact CD1-CD1 4.38Å; L2131-F2144 HydrophobicContact CD1-CE1 3.77Å; L2131-F2144 HydrophobicContact CD1-CZ 4.37Å; L2131-F2144 HydrophobicContact CD2-CE1 4.46Å; V2139-F2144 HydrophobicContact CB-CE2 4.39Å; V2139-F2144 HydrophobicContact CB-CZ 4.03Å; V2139-F2144 HydrophobicContact CG1-CE1 4.16Å; V2139-F2144 HydrophobicContact CG1-CE2 3.79Å; V2139-F2144 HydrophobicContact CG1-CZ 3.43Å; V2139-F2144 HydrophobicContact CG2-CZ 4.24Å; V2139-F2144 VanDerWaalsContact O-CE2 3.28Å; V2139-F2144 WeakPolarHBondContact O-CE2 3.26Å; V2139-F2144 WeakPolarHBondContact O-CZ 3.26Å; M2142-F2144 WeakPolarHBondContact O-CE2 3.3Å
2145V89.6Confident77Confident0 Ų025.5 Ų25.50%016%0.157CC..EExtended strand (participates in β ladder)trans-128.1110.4165.1-178.20000107.3S1942 K1995 L1999 Q2002 V2009 I2010 I2011 L2012 L2022 L2147S1942-V2145 CarbonylContact O-C 3.48Å; S1942-V2145 VanDerWaalsContact O-CA 3.29Å; S1942-V2145 WeakPolarHBondContact O-CA 3.3Å; K1995-V2145 HydrophobicContact CB-CG1 4.49Å; K1995-V2145 HydrophobicContact CD-CG1 4.34Å; L1999-V2145 HydrophobicContact CB-CG2 4.12Å; L1999-V2145 HydrophobicContact CD1-CG2 4.07Å; Q2002-V2145 HydrophobicContact CG-CG2 4.34Å; V2009-V2145 HydrophobicContact CG1-CG2 4.19Å; I2010-V2145 PolarHBondContact O-N 2.99Å; I2011-V2145 CarbonylContact C-O 3.52Å; I2011-V2145 WeakPolarHBondContact CA-O 3.36Å; L2012-V2145 PolarHBondContact N-O 3.34Å; L2022-V2145 HydrophobicContact CD1-CG1 4.39Å; L2022-V2145 HydrophobicContact CD2-CG1 3.97Å; V2145-L2147 HydrophobicContact CG1-CD2 4.39Å
2146Y89.1Confident77.1Confident57 Ų5725.9 Ų25.922%0.22416%0.161CC..EExtended strand (participates in β ladder)trans-90.2130.2177.4-177.4-98.5000110.7S1942 T1945 K1995 L2012S1942-Y2146 PolarHBondContact O-N 3.25Å; T1945-Y2146 HydrophobicContact CG2-CD1 4.34Å; T1945-Y2146 HydrophobicContact CG2-CE1 3.9Å; T1945-Y2146 HydrophobicContact CG2-CE2 4.37Å; K1995-Y2146 VanDerWaalsContact CE-O 3.26Å; K1995-Y2146 WeakPolarHBondContact CE-O 3.31Å; K1995-Y2146 PolarHBondContact NZ-O 3.26Å; K1995-Y2146 VanDerWaalsContact NZ-O 3.1Å; L2012-Y2146 HydrophobicContact CB-CD2 4.17Å; L2012-Y2146 HydrophobicContact CD2-CD2 3.98Å; L2012-Y2146 HydrophobicContact CD2-CE2 4.35Å; L2012-Y2146 HydrophobicContact CG-CD2 4.21Å; L2012-Y2146 HydrophobicContact CG-CE2 4.49Å
2147L85.9Confident77.4Confident5.8 Ų5.824.1 Ų24.13%0.0315%0.148CC..  trans-113.3115.3174-60.8178.5000109.5K1995 I2011 L2012 G2013 K2019 L2022 V2145 T2151K1995-L2147 HydrophobicContact CB-CD2 3.94Å; K1995-L2147 HydrophobicContact CD-CD2 4.22Å; K1995-L2147 HydrophobicContact CG-CD2 3.78Å; I2011-L2147 HydrophobicContact CG2-CD1 3.88Å; I2011-L2147 HydrophobicContact CG2-CG 4.29Å; L2012-L2147 PolarHBondContact O-N 3.01Å; G2013-L2147 WeakPolarHBondContact CA-O 3.29Å; K2019-L2147 HydrophobicContact CB-CD1 4.38Å; K2019-L2147 HydrophobicContact CG-CD1 3.81Å; L2022-L2147 HydrophobicContact CD1-CD1 4.1Å; L2022-L2147 HydrophobicContact CD1-CD2 3.72Å; L2022-L2147 HydrophobicContact CD1-CG 4.41Å; L2022-L2147 HydrophobicContact CD2-CD1 4.43Å; L2022-L2147 HydrophobicContact CD2-CD2 4.27Å; V2145-L2147 HydrophobicContact CG1-CD2 4.39Å; L2147-T2151 HydrophobicContact CB-CG2 4.29Å; L2147-T2151 HydrophobicContact CD2-CG2 4.13Å
2148S77.1Confident77.9Confident16.6 Ų16.624.2 Ų24.212%0.11615%0.146CC..  trans-72.4163.7171.360.30000111.5D1946 G2150 T2151D1946-S2148 WeakPolarHBondContact OD2-CB 3.35Å; D1946-S2148 PolarHBondContact OD2-OG 3.04Å; S2148-G2150 VanDerWaalsContact C-N 3.3Å; S2148-G2150 PolarHBondContact O-N 2.94Å; S2148-T2151 WeakPolarHBondContact O-CB 3.4Å; S2148-T2151 WeakPolarHBondContact O-CG2 3.1Å; S2148-T2151 PolarHBondContact O-N 2.97Å; S2148-T2151 VanDerWaalsContact O-N 3.13Å; S2148-T2151 PolarHBondContact O-OG1 3.33Å
2149T67Low78Confident66.2 Ų66.230.3 Ų30.341%0.40617%0.169SC..G310 helixtrans-62.3-30.9-178.253.10000112.8Q2014 T2151 E2201Q2014-T2149 HydrophobicContact CG-CG2 4.27Å; Q2014-T2149 VanDerWaalsContact OE1-CG2 3.3Å; T2149-T2151 VanDerWaalsContact C-N 3.3Å; T2149-T2151 PolarHBondContact O-N 2.87Å; T2149-E2201 WeakPolarHBondContact CB-OE2 3.35Å; T2149-E2201 PolarHBondContact OG1-OE2 3Å
2150G62.8Low78Confident48.8 Ų48.835.9 Ų35.950%0.50319%0.19SC..G310 helixtrans-84.73.3179.900000116.3S2148 V2152S2148-G2150 VanDerWaalsContact C-N 3.3Å; S2148-G2150 PolarHBondContact O-N 2.94Å; G2150-V2152 VanDerWaalsContact C-N 3.25Å; G2150-V2152 PolarHBondContact O-N 2.96Å; G2150-V2152 VanDerWaalsContact O-N 3.14Å
2151T59.2Low78.2Confident4.8 Ų4.836.1 Ų36.13%0.02919%0.189CC..G310 helixtrans-61.8-27.2-179.145.20000113.5T1991 Q1992 S2017 L2147 S2148 T2149T1991-T2151 HydrophobicContact CG2-CG2 4.24Å; T1991-T2151 PolarHBondContact OG1-O 3.04Å; Q1992-T2151 VanDerWaalsContact CG-O 3.26Å; Q1992-T2151 WeakPolarHBondContact CG-O 3.32Å; Q1992-T2151 PolarHBondContact NE2-O 3.18Å; Q1992-T2151 VanDerWaalsContact NE2-O 3.16Å; S2017-T2151 PolarHBondContact O-OG1 3Å; S2017-T2151 VanDerWaalsContact O-OG1 3.12Å; L2147-T2151 HydrophobicContact CB-CG2 4.29Å; L2147-T2151 HydrophobicContact CD2-CG2 4.13Å; S2148-T2151 WeakPolarHBondContact O-CB 3.4Å; S2148-T2151 WeakPolarHBondContact O-CG2 3.1Å; S2148-T2151 PolarHBondContact O-N 2.97Å; S2148-T2151 VanDerWaalsContact O-N 3.13Å; S2148-T2151 PolarHBondContact O-OG1 3.33Å; T2149-T2151 VanDerWaalsContact C-N 3.3Å; T2149-T2151 PolarHBondContact O-N 2.87Å
2152V65.4Low78.4Confident26.6 Ų26.635.1 Ų35.116%0.16119%0.187CC..SBendtrans-105.887.9174.3-166.80000108.3S2017 G2150 V2154 Q2157S2017-V2152 VanDerWaalsContact O-CG2 3.3Å; S2017-V2152 WeakPolarHBondContact O-CG2 3.28Å; G2150-V2152 VanDerWaalsContact C-N 3.25Å; G2150-V2152 PolarHBondContact O-N 2.96Å; G2150-V2152 VanDerWaalsContact O-N 3.14Å; V2152-V2154 PolarHBondContact O-N 3.19Å; V2152-Q2157 HydrophobicContact CG1-CG 3.67Å; V2152-Q2157 PolarHBondContact O-NE2 2.98Å
2153G70Confident78.1Confident27.8 Ų27.839.9 Ų39.929%0.28721%0.21SC..  trans-52.1136.3-179.200000112.5E2155 A2156 Q2157G2153-E2155 VanDerWaalsContact C-N 3.28Å; G2153-E2155 PolarHBondContact O-N 3.33Å; G2153-A2156 WeakPolarHBondContact O-CB 3.4Å; G2153-A2156 PolarHBondContact O-N 3.15Å; G2153-Q2157 PolarHBondContact O-N 3.15Å
2154V74.9Confident77.9Confident29 Ų2944.5 Ų44.518%0.17624%0.238CC..Hα-helixtrans-52.3-45-179.1-1780000110.4V2152 A2156 Q2157 L2158 F2181 E2182 L2185 I2205V2152-V2154 PolarHBondContact O-N 3.19Å; V2154-A2156 VanDerWaalsContact C-N 3.32Å; V2154-A2156 PolarHBondContact O-N 3.18Å; V2154-Q2157 WeakPolarHBondContact O-CA 3.39Å; V2154-Q2157 WeakPolarHBondContact O-CB 3.4Å; V2154-Q2157 PolarHBondContact O-N 3.06Å; V2154-Q2157 VanDerWaalsContact O-N 3.1Å; V2154-L2158 HydrophobicContact CG1-CD1 3.98Å; V2154-L2158 HydrophobicContact CG1-CG 4.15Å; V2154-L2158 WeakPolarHBondContact O-CG 3.38Å; V2154-L2158 PolarHBondContact O-N 3.39Å; V2154-F2181 HydrophobicContact CG1-CD1 4.24Å; V2154-F2181 HydrophobicContact CG1-CE1 4.25Å; V2154-E2182 HydrophobicContact CG1-CG 4.36Å; V2154-L2185 HydrophobicContact CG1-CD1 4.23Å; V2154-L2185 HydrophobicContact CG2-CD1 4.43Å; V2154-I2205 HydrophobicContact CG1-CD1 4.36Å; V2154-I2205 HydrophobicContact CG2-CD1 3.95Å
2155E77.3Confident77.6Confident100.4 Ų100.444.8 Ų44.847%0.46924%0.239SC..Hα-helixtrans-55.8-41.3178.3-130.3-175.3-166.200113.7G2153 Q2157 L2158 R2159G2153-E2155 VanDerWaalsContact C-N 3.28Å; G2153-E2155 PolarHBondContact O-N 3.33Å; E2155-Q2157 VanDerWaalsContact C-N 3.31Å; E2155-Q2157 PolarHBondContact O-N 2.94Å; E2155-L2158 PolarHBondContact O-N 3.06Å; E2155-R2159 VanDerWaalsContact CD-NH2 3.3Å; E2155-R2159 HydrophobicContact CG-CG 4.41Å; E2155-R2159 WeakPolarHBondContact O-CB 3.28Å; E2155-R2159 VanDerWaalsContact O-CG 3.29Å; E2155-R2159 WeakPolarHBondContact O-CG 3.29Å; E2155-R2159 PolarHBondContact O-N 3.13Å; E2155-R2159 IonicContact OE1-CZ 3.25Å; E2155-R2159 VanDerWaalsContact OE1-CZ 3.29Å; E2155-R2159 IonicContact OE1-NE 2.99Å; E2155-R2159 PolarHBondContact OE1-NE 3.38Å; E2155-R2159 IonicContact OE1-NH2 3.35Å; E2155-R2159 PolarHBondContact OE1-NH2 3.01Å; E2155-R2159 IonicContact OE2-CZ 3.12Å; E2155-R2159 IonicContact OE2-NE 3.71Å; E2155-R2159 IonicContact OE2-NH2 3.28Å; E2155-R2159 PolarHBondContact OE2-NH2 3.04Å
2156A76.8Confident77.1Confident21 Ų2147.3 Ų47.317%0.17426%0.26CS..Hα-helixtrans-66.4-35.6179.200000111.6F1987 G2153 V2154 R2160F1987-A2156 HydrophobicContact CB-CB 4.38Å; G2153-A2156 WeakPolarHBondContact O-CB 3.4Å; G2153-A2156 PolarHBondContact O-N 3.15Å; V2154-A2156 VanDerWaalsContact C-N 3.32Å; V2154-A2156 PolarHBondContact O-N 3.18Å; A2156-R2160 WeakPolarHBondContact O-CB 3.32Å; A2156-R2160 PolarHBondContact O-N 3.15Å; A2156-R2160 VanDerWaalsContact O-N 3.14Å
2157Q78.9Confident76.5Confident22.8 Ų22.851.7 Ų51.711%0.10728%0.283CS..Hα-helixtrans-69.6-42.7175.1-56-175.927.100111.2V2152 G2153 V2154 E2155 R2160 F2161 H2202 I2205V2152-Q2157 HydrophobicContact CG1-CG 3.67Å; V2152-Q2157 PolarHBondContact O-NE2 2.98Å; G2153-Q2157 PolarHBondContact O-N 3.15Å; V2154-Q2157 WeakPolarHBondContact O-CA 3.39Å; V2154-Q2157 WeakPolarHBondContact O-CB 3.4Å; V2154-Q2157 PolarHBondContact O-N 3.06Å; V2154-Q2157 VanDerWaalsContact O-N 3.1Å; E2155-Q2157 VanDerWaalsContact C-N 3.31Å; E2155-Q2157 PolarHBondContact O-N 2.94Å; Q2157-R2160 PolarHBondContact O-N 3.32Å; Q2157-F2161 WeakPolarHBondContact O-CB 3.31Å; Q2157-F2161 PolarHBondContact O-N 3.35Å; Q2157-H2202 VanDerWaalsContact CD-ND1 3.33Å; Q2157-H2202 PolarHBondContact NE2-ND1 3.04Å; Q2157-H2202 PolarHBondContact OE1-CE1 3.01Å; Q2157-H2202 PolarHBondContact OE1-ND1 3.28Å; Q2157-I2205 HydrophobicContact CB-CG2 4.4Å; Q2157-I2205 VanDerWaalsContact OE1-CG2 3.31Å
2158L81.9Confident76.2Confident14 Ų1457.9 Ų57.97%0.07332%0.32CS..Hα-helixtrans-62.6-48.8177.2-66.7-180000111.6V2154 E2155 R2160 F2161 V2162 L2177 F2181 L2209V2154-L2158 HydrophobicContact CG1-CD1 3.98Å; V2154-L2158 HydrophobicContact CG1-CG 4.15Å; V2154-L2158 WeakPolarHBondContact O-CG 3.38Å; V2154-L2158 PolarHBondContact O-N 3.39Å; E2155-L2158 PolarHBondContact O-N 3.06Å; L2158-R2160 VanDerWaalsContact C-N 3.3Å; L2158-R2160 PolarHBondContact O-N 2.92Å; L2158-F2161 WeakPolarHBondContact O-CB 3.28Å; L2158-F2161 PolarHBondContact O-N 3.06Å; L2158-F2161 VanDerWaalsContact O-N 3.12Å; L2158-V2162 WeakPolarHBondContact O-CG2 3.34Å; L2158-V2162 PolarHBondContact O-N 3.01Å; L2158-L2177 HydrophobicContact CD1-CB 4.49Å; L2158-L2177 HydrophobicContact CD2-CB 4.39Å; L2158-L2177 HydrophobicContact CD2-CD1 4.33Å; L2158-L2177 HydrophobicContact CD2-CD2 4.15Å; L2158-L2177 HydrophobicContact CD2-CG 4.48Å; L2158-F2181 HydrophobicContact CD1-CB 4.41Å; L2158-F2181 HydrophobicContact CD1-CD1 4.12Å; L2158-F2181 HydrophobicContact CD1-CG 4.48Å; L2158-F2181 HydrophobicContact CD2-CD1 3.79Å; L2158-F2181 HydrophobicContact CD2-CD2 4.37Å; L2158-F2181 HydrophobicContact CD2-CE1 3.88Å; L2158-F2181 HydrophobicContact CD2-CE2 4.47Å; L2158-F2181 HydrophobicContact CD2-CG 4.08Å; L2158-F2181 HydrophobicContact CD2-CZ 4.28Å; L2158-F2181 HydrophobicContact CG-CD1 4.44Å; L2158-L2209 HydrophobicContact CD2-CD1 4.23Å; L2158-L2209 HydrophobicContact CD2-CD2 3.75Å; L2158-L2209 HydrophobicContact CD2-CG 4.44Å
2159R81.2Confident76.2Confident130.2 Ų130.257.6 Ų57.649%0.49132%0.318SS..Hα-helixtrans-59.1-41.8177.4-71.3-179.5-166.4-173.96.8111.8F1987 E2155 V2162 Q2163F1987-R2159 HydrophobicContact CD2-CB 4.17Å; F1987-R2159 HydrophobicContact CE2-CB 3.7Å; F1987-R2159 HydrophobicContact CZ-CB 4.08Å; E2155-R2159 VanDerWaalsContact CD-NH2 3.3Å; E2155-R2159 HydrophobicContact CG-CG 4.41Å; E2155-R2159 WeakPolarHBondContact O-CB 3.28Å; E2155-R2159 VanDerWaalsContact O-CG 3.29Å; E2155-R2159 WeakPolarHBondContact O-CG 3.29Å; E2155-R2159 PolarHBondContact O-N 3.13Å; E2155-R2159 IonicContact OE1-CZ 3.25Å; E2155-R2159 VanDerWaalsContact OE1-CZ 3.29Å; E2155-R2159 IonicContact OE1-NE 2.99Å; E2155-R2159 PolarHBondContact OE1-NE 3.38Å; E2155-R2159 IonicContact OE1-NH2 3.35Å; E2155-R2159 PolarHBondContact OE1-NH2 3.01Å; E2155-R2159 IonicContact OE2-CZ 3.12Å; E2155-R2159 IonicContact OE2-NE 3.71Å; E2155-R2159 IonicContact OE2-NH2 3.28Å; E2155-R2159 PolarHBondContact OE2-NH2 3.04Å; R2159-V2162 PolarHBondContact O-N 3.1Å; R2159-Q2163 WeakPolarHBondContact O-CG 3.34Å; R2159-Q2163 PolarHBondContact O-N 3.24Å; R2159-Q2163 VanDerWaalsContact O-N 3.11Å
2160R80.3Confident77Confident121 Ų12158.2 Ų58.246%0.45731%0.313SS..Hα-helixtrans-62-45.3175.1-177.6-178.4176.8-155.2-1.7111.4F1986 F1987 A2156 Q2157 L2158 V2162 Q2163 T2164F1986-R2160 VanDerWaalsContact CE1-CZ 3.48Å; F1986-R2160 VanDerWaalsContact CE1-NH1 3.29Å; F1987-R2160 HydrophobicContact CD2-CB 4.4Å; F1987-R2160 HydrophobicContact CE2-CB 4.36Å; A2156-R2160 WeakPolarHBondContact O-CB 3.32Å; A2156-R2160 PolarHBondContact O-N 3.15Å; A2156-R2160 VanDerWaalsContact O-N 3.14Å; Q2157-R2160 PolarHBondContact O-N 3.32Å; L2158-R2160 VanDerWaalsContact C-N 3.3Å; L2158-R2160 PolarHBondContact O-N 2.92Å; R2160-V2162 VanDerWaalsContact C-N 3.34Å; R2160-V2162 PolarHBondContact O-N 3.33Å; R2160-Q2163 PolarHBondContact O-N 3.13Å; R2160-T2164 PolarHBondContact O-N 3.29Å
2161F82.8Confident77.9Confident16.8 Ų16.863.9 Ų63.97%0.07433%0.326CS..Hα-helixtrans-61.2-45.1177.3178.9-105.6000111.6Q2157 L2158 Q2163 T2164 Q2165 L2173 L2177 L2209 L2212 N2213Q2157-F2161 WeakPolarHBondContact O-CB 3.31Å; Q2157-F2161 PolarHBondContact O-N 3.35Å; L2158-F2161 WeakPolarHBondContact O-CB 3.28Å; L2158-F2161 PolarHBondContact O-N 3.06Å; L2158-F2161 VanDerWaalsContact O-N 3.12Å; F2161-Q2163 VanDerWaalsContact C-N 3.3Å; F2161-Q2163 PolarHBondContact O-N 3.04Å; F2161-T2164 PolarHBondContact O-N 3.18Å; F2161-T2164 PolarHBondContact O-OG1 3.07Å; F2161-Q2165 HydrophobicContact CE1-CG 4.39Å; F2161-Q2165 VanDerWaalsContact CE2-NE2 3.32Å; F2161-Q2165 HydrophobicContact CZ-CG 4.47Å; F2161-Q2165 PolarHBondContact O-N 3.03Å; F2161-L2173 HydrophobicContact CD1-CD2 4.44Å; F2161-L2173 HydrophobicContact CE1-CD2 4.05Å; F2161-L2177 HydrophobicContact CD1-CD1 4.15Å; F2161-L2209 HydrophobicContact CB-CD1 4.09Å; F2161-L2209 HydrophobicContact CD1-CB 4.49Å; F2161-L2209 HydrophobicContact CD1-CD1 4.47Å; F2161-L2209 HydrophobicContact CD1-CD2 3.86Å; F2161-L2209 HydrophobicContact CD1-CG 4.45Å; F2161-L2209 HydrophobicContact CD2-CB 4.24Å; F2161-L2209 HydrophobicContact CD2-CD1 4.43Å; F2161-L2209 HydrophobicContact CE1-CB 4.47Å; F2161-L2209 HydrophobicContact CE1-CD2 4.12Å; F2161-L2209 HydrophobicContact CE2-CB 4.23Å; F2161-L2209 WeakPolarHBondContact CE2-O 3.42Å; F2161-L2209 HydrophobicContact CG-CB 4.38Å; F2161-L2209 HydrophobicContact CG-CD1 4.16Å; F2161-L2209 HydrophobicContact CG-CD2 4.25Å; F2161-L2209 HydrophobicContact CG-CG 4.43Å; F2161-L2209 HydrophobicContact CZ-CB 4.37Å; F2161-L2209 VanDerWaalsContact CZ-O 3.28Å; F2161-L2209 WeakPolarHBondContact CZ-O 3.27Å; F2161-L2212 HydrophobicContact CE1-CB 3.98Å; F2161-L2212 HydrophobicContact CZ-CB 3.96Å; F2161-N2213 WeakPolarHBondContact CE2-OD1 3.46Å; F2161-N2213 WeakPolarHBondContact CZ-OD1 3.47Å
2162V84.4Confident79Confident17.2 Ų17.268.3 Ų68.310%0.10435%0.346CS..Hα-helixtrans-58.2-41176.2172.90000111.5L2158 R2159 R2160 T2164 Q2165 R2170 L2177L2158-V2162 WeakPolarHBondContact O-CG2 3.34Å; L2158-V2162 PolarHBondContact O-N 3.01Å; R2159-V2162 PolarHBondContact O-N 3.1Å; R2160-V2162 VanDerWaalsContact C-N 3.34Å; R2160-V2162 PolarHBondContact O-N 3.33Å; V2162-T2164 VanDerWaalsContact C-N 3.26Å; V2162-T2164 PolarHBondContact O-N 3.05Å; V2162-Q2165 WeakPolarHBondContact O-CB 3.33Å; V2162-Q2165 PolarHBondContact O-N 2.99Å; V2162-Q2165 VanDerWaalsContact O-N 3.11Å; V2162-R2170 HydrophobicContact CG1-CB 3.91Å; V2162-R2170 HydrophobicContact CG1-CG 4.07Å; V2162-R2170 WeakPolarHBondContact O-CG 3.33Å; V2162-R2170 PolarHBondContact O-NE 3.04Å; V2162-L2177 HydrophobicContact CG2-CD1 3.76Å
2163Q81.2Confident80Confident103.4 Ų103.467.2 Ų67.248%0.48334%0.339SS..Hα-helixtrans-63.6-28.3176.2-75.5-175.3-27.600113.7F1987 R2159 R2160 F2161 Q2165 R2170F1987-Q2163 HydrophobicContact CE2-CG 4.35Å; F1987-Q2163 VanDerWaalsContact CE2-OE1 3.31Å; F1987-Q2163 VanDerWaalsContact CZ-CD 3.5Å; F1987-Q2163 HydrophobicContact CZ-CG 4.17Å; F1987-Q2163 VanDerWaalsContact CZ-NE2 3.34Å; R2159-Q2163 WeakPolarHBondContact O-CG 3.34Å; R2159-Q2163 PolarHBondContact O-N 3.24Å; R2159-Q2163 VanDerWaalsContact O-N 3.11Å; R2160-Q2163 PolarHBondContact O-N 3.13Å; F2161-Q2163 VanDerWaalsContact C-N 3.3Å; F2161-Q2163 PolarHBondContact O-N 3.04Å; Q2163-Q2165 VanDerWaalsContact C-N 3.28Å; Q2163-Q2165 PolarHBondContact O-N 3.15Å; Q2163-R2170 PolarHBondContact O-NH2 3.12Å; Q2163-R2170 VanDerWaalsContact O-NH2 3.14Å
2164T81.6Confident80.7Confident96.8 Ų96.868.2 Ų68.259%0.59434%0.342SS*.Hα-helixtrans-75.9-13.5176.259.50000113.9R2160 F2161 V2162R2160-T2164 PolarHBondContact O-N 3.29Å; F2161-T2164 PolarHBondContact O-N 3.18Å; F2161-T2164 PolarHBondContact O-OG1 3.07Å; V2162-T2164 VanDerWaalsContact C-N 3.26Å; V2162-T2164 PolarHBondContact O-N 3.05Å
2165Q81.8Confident81.2Confident14 Ų1469.5 Ų69.57%0.06535%0.352CS..SBendtrans-86.6163.5179.1-57.1-60.2-37.900112.2F2161 V2162 Q2163 R2170 L2173 N2213F2161-Q2165 HydrophobicContact CE1-CG 4.39Å; F2161-Q2165 VanDerWaalsContact CE2-NE2 3.32Å; F2161-Q2165 HydrophobicContact CZ-CG 4.47Å; F2161-Q2165 PolarHBondContact O-N 3.03Å; V2162-Q2165 WeakPolarHBondContact O-CB 3.33Å; V2162-Q2165 PolarHBondContact O-N 2.99Å; V2162-Q2165 VanDerWaalsContact O-N 3.11Å; Q2163-Q2165 VanDerWaalsContact C-N 3.28Å; Q2163-Q2165 PolarHBondContact O-N 3.15Å; Q2165-R2170 VanDerWaalsContact O-CZ 3.25Å; Q2165-R2170 PolarHBondContact O-NE 3.15Å; Q2165-R2170 PolarHBondContact O-NH2 3.15Å; Q2165-L2173 HydrophobicContact CB-CD2 4.37Å; Q2165-L2173 HydrophobicContact CG-CD2 3.71Å; Q2165-N2213 PolarHBondContact NE2-OD1 3.06Å
2166A80.3Confident81.7Confident52.4 Ų52.466.4 Ų66.443%0.43334%0.337SS..  trans-63141.5177.100000112.2V2168 T2169 R2170A2166-V2168 PolarHBondContact O-N 3.12Å; A2166-V2168 VanDerWaalsContact O-N 3.08Å; A2166-T2169 PolarHBondContact O-N 3.21Å; A2166-T2169 VanDerWaalsContact O-N 3.09Å; A2166-T2169 PolarHBondContact O-OG1 3.08Å; A2166-T2169 VanDerWaalsContact O-OG1 3.13Å; A2166-R2170 WeakPolarHBondContact O-CG 3.37Å; A2166-R2170 PolarHBondContact O-N 3.11Å
2167E76.3Confident82.1Confident151 Ų15165.6 Ų65.671%0.70633%0.329SS*.Hα-helixtrans-53.5-36.3-172.8-69.4-167.7154.400114.2T2169 R2170E2167-T2169 VanDerWaalsContact C-N 3.31Å; E2167-T2169 PolarHBondContact O-N 3.09Å; E2167-R2170 PolarHBondContact O-N 3.1Å; E2167-R2170 IonicContact OE1-CZ 2.87Å; E2167-R2170 IonicContact OE1-NH1 3.44Å; E2167-R2170 PolarHBondContact OE1-NH1 3.02Å
2168V78.6Confident82.3Confident134.4 Ų134.471 Ų7182%0.81535%0.354SS*.Hα-helixtrans-64.1-32.6-177.5-172.70000112.8A2166A2166-V2168 PolarHBondContact O-N 3.12Å; A2166-V2168 VanDerWaalsContact O-N 3.08Å
2169T78.6Confident82.5Confident10 Ų1074.7 Ų74.76%0.06137%0.374CS..Hα-helixtrans-95.6-12-176.954.40000113.1A2166 E2167 E2171 Q2172 L2173 R2216A2166-T2169 PolarHBondContact O-N 3.21Å; A2166-T2169 VanDerWaalsContact O-N 3.09Å; A2166-T2169 PolarHBondContact O-OG1 3.08Å; A2166-T2169 VanDerWaalsContact O-OG1 3.13Å; E2167-T2169 VanDerWaalsContact C-N 3.31Å; E2167-T2169 PolarHBondContact O-N 3.09Å; T2169-E2171 PolarHBondContact O-N 3.32Å; T2169-Q2172 PolarHBondContact O-N 3.31Å; T2169-L2173 VanDerWaalsContact O-CB 3.23Å; T2169-L2173 WeakPolarHBondContact O-CB 3.42Å; T2169-L2173 PolarHBondContact O-N 3.2Å; T2169-R2216 HydrophobicContact CG2-CG 4.24Å
2170R82.1Confident82.7Confident80.2 Ų80.270.5 Ų70.530%0.30336%0.359SS..Hα-helixtrans-58.5-46.7-172.8-71.1-173.7-175.1156.12.6113.6V2162 Q2163 Q2165 A2166 E2167 S2174V2162-R2170 HydrophobicContact CG1-CB 3.91Å; V2162-R2170 HydrophobicContact CG1-CG 4.07Å; V2162-R2170 WeakPolarHBondContact O-CG 3.33Å; V2162-R2170 PolarHBondContact O-NE 3.04Å; Q2163-R2170 PolarHBondContact O-NH2 3.12Å; Q2163-R2170 VanDerWaalsContact O-NH2 3.14Å; Q2165-R2170 VanDerWaalsContact O-CZ 3.25Å; Q2165-R2170 PolarHBondContact O-NE 3.15Å; Q2165-R2170 PolarHBondContact O-NH2 3.15Å; A2166-R2170 WeakPolarHBondContact O-CG 3.37Å; A2166-R2170 PolarHBondContact O-N 3.11Å; E2167-R2170 PolarHBondContact O-N 3.1Å; E2167-R2170 IonicContact OE1-CZ 2.87Å; E2167-R2170 IonicContact OE1-NH1 3.44Å; E2167-R2170 PolarHBondContact OE1-NH1 3.02Å; R2170-S2174 VanDerWaalsContact O-CB 3.23Å; R2170-S2174 WeakPolarHBondContact O-CB 3.35Å; R2170-S2174 PolarHBondContact O-N 3.1Å; R2170-S2174 PolarHBondContact O-OG 3.49Å
2171E82Confident82.9Confident168.2 Ų168.264.7 Ų64.779%0.78634%0.337SS*.Hα-helixtrans-64.9-48.2-176.3-67.8-172.5167.800111.7T2169 S2174 S2175T2169-E2171 PolarHBondContact O-N 3.32Å; E2171-S2174 PolarHBondContact O-N 3.29Å; E2171-S2174 PolarHBondContact O-OG 3.47Å; E2171-S2175 PolarHBondContact O-N 3.41Å; E2171-S2175 VanDerWaalsContact O-N 3.09Å
2172Q83.6Confident82.9Confident98 Ų9868.8 Ų68.846%0.45836%0.356SS..Hα-helixtrans-64.6-47.4179.5-66.9-179.7-1800111.5T2169 S2174 S2175 W2176T2169-Q2172 PolarHBondContact O-N 3.31Å; Q2172-S2174 VanDerWaalsContact C-N 3.33Å; Q2172-S2174 PolarHBondContact O-N 3.1Å; Q2172-S2175 WeakPolarHBondContact O-CB 3.23Å; Q2172-S2175 PolarHBondContact O-N 3.17Å; Q2172-W2176 HydrophobicContact CB-CH2 4.04Å; Q2172-W2176 HydrophobicContact CB-CZ2 4.11Å; Q2172-W2176 HydrophobicContact CB-CZ3 4.35Å; Q2172-W2176 PolarHBondContact O-N 3.14Å
2173L84.9Confident82.9Confident2.4 Ų2.470.5 Ų70.51%0.01337%0.369CS..Hα-helixtrans-63.9-39.8179.4-175.167.3000111.8F2161 Q2165 T2169 S2175 W2176 L2177 F2221F2161-L2173 HydrophobicContact CD1-CD2 4.44Å; F2161-L2173 HydrophobicContact CE1-CD2 4.05Å; Q2165-L2173 HydrophobicContact CB-CD2 4.37Å; Q2165-L2173 HydrophobicContact CG-CD2 3.71Å; T2169-L2173 VanDerWaalsContact O-CB 3.23Å; T2169-L2173 WeakPolarHBondContact O-CB 3.42Å; T2169-L2173 PolarHBondContact O-N 3.2Å; L2173-S2175 VanDerWaalsContact C-N 3.33Å; L2173-S2175 PolarHBondContact O-N 3.24Å; L2173-W2176 HydrophobicContact CD1-CE3 4.49Å; L2173-W2176 PolarHBondContact O-N 3.14Å; L2173-L2177 HydrophobicContact CD1-CD1 4.31Å; L2173-L2177 HydrophobicContact CD1-CG 4.29Å; L2173-L2177 HydrophobicContact CD2-CD1 4.4Å; L2173-L2177 HydrophobicContact CG-CD1 3.88Å; L2173-L2177 HydrophobicContact CG-CG 4.29Å; L2173-L2177 WeakPolarHBondContact O-CB 3.36Å; L2173-L2177 VanDerWaalsContact O-CG 3.28Å; L2173-L2177 WeakPolarHBondContact O-CG 3.29Å; L2173-L2177 PolarHBondContact O-N 3.17Å; L2173-F2221 HydrophobicContact CD1-CD2 3.88Å; L2173-F2221 HydrophobicContact CD1-CE2 3.92Å
2174S84.6Confident83.2Confident49 Ų4965.6 Ų65.634%0.34335%0.346SS..Hα-helixtrans-60.5-43.1175.5174.70000111.5R2170 E2171 Q2172 Q2178R2170-S2174 VanDerWaalsContact O-CB 3.23Å; R2170-S2174 WeakPolarHBondContact O-CB 3.35Å; R2170-S2174 PolarHBondContact O-N 3.1Å; R2170-S2174 PolarHBondContact O-OG 3.49Å; E2171-S2174 PolarHBondContact O-N 3.29Å; E2171-S2174 PolarHBondContact O-OG 3.47Å; Q2172-S2174 VanDerWaalsContact C-N 3.33Å; Q2172-S2174 PolarHBondContact O-N 3.1Å; S2174-Q2178 WeakPolarHBondContact O-CB 3.32Å; S2174-Q2178 WeakPolarHBondContact O-CG 3.41Å; S2174-Q2178 PolarHBondContact O-N 3.05Å; S2174-Q2178 VanDerWaalsContact O-N 3.1Å
2175S86.9Confident83.2Confident56 Ų5661.6 Ų61.639%0.39232%0.321SS..Hα-helixtrans-63.4-44.7176.5-178.50000111.9E2171 Q2172 L2173 Q2178 N2179E2171-S2175 PolarHBondContact O-N 3.41Å; E2171-S2175 VanDerWaalsContact O-N 3.09Å; Q2172-S2175 WeakPolarHBondContact O-CB 3.23Å; Q2172-S2175 PolarHBondContact O-N 3.17Å; L2173-S2175 VanDerWaalsContact C-N 3.33Å; L2173-S2175 PolarHBondContact O-N 3.24Å; S2175-Q2178 PolarHBondContact O-N 3.04Å; S2175-N2179 WeakPolarHBondContact O-CB 3.4Å; S2175-N2179 VanDerWaalsContact O-CG 3.29Å; S2175-N2179 PolarHBondContact O-N 3.16Å; S2175-N2179 VanDerWaalsContact O-N 3.13Å; S2175-N2179 PolarHBondContact O-ND2 3.31Å; S2175-N2179 PolarHBondContact OG-ND2 2.86Å
2176W86.9Confident83.3Confident36.2 Ų36.263.6 Ų63.614%0.13734%0.34CS..Hα-helixtrans-68.1-41.1179.1-61.1-26.7000113Q2172 L2173 Q2178 N2179 Y2180 V2215 K2218 F2221Q2172-W2176 HydrophobicContact CB-CH2 4.04Å; Q2172-W2176 HydrophobicContact CB-CZ2 4.11Å; Q2172-W2176 HydrophobicContact CB-CZ3 4.35Å; Q2172-W2176 PolarHBondContact O-N 3.14Å; L2173-W2176 HydrophobicContact CD1-CE3 4.49Å; L2173-W2176 PolarHBondContact O-N 3.14Å; W2176-Q2178 VanDerWaalsContact C-N 3.35Å; W2176-Q2178 PolarHBondContact O-N 3.3Å; W2176-N2179 PolarHBondContact O-N 2.96Å; W2176-Y2180 HydrophobicContact CB-CD2 4.26Å; W2176-Y2180 WeakPolarHBondContact O-CB 3.34Å; W2176-Y2180 VanDerWaalsContact O-CD2 3.3Å; W2176-Y2180 WeakPolarHBondContact O-CD2 3.32Å; W2176-Y2180 PolarHBondContact O-N 2.99Å; W2176-V2215 HydrophobicContact CZ3-CG1 4.29Å; W2176-K2218 HydrophobicContact CZ2-CB 4.08Å; W2176-F2221 HydrophobicContact CB-CD1 3.95Å; W2176-F2221 HydrophobicContact CB-CD2 4.16Å; W2176-F2221 HydrophobicContact CB-CE1 3.72Å; W2176-F2221 HydrophobicContact CB-CE2 3.91Å; W2176-F2221 HydrophobicContact CB-CG 4.18Å; W2176-F2221 HydrophobicContact CB-CZ 3.69Å; W2176-F2221 HydrophobicContact CD2-CB 4.45Å; W2176-F2221 HydrophobicContact CD2-CG 4.34Å; W2176-F2221 HydrophobicContact CE3-CB 3.87Å; W2176-F2221 AromaticContact CE3-CD2 3.93Å; W2176-F2221 HydrophobicContact CE3-CD2 3.96Å; W2176-F2221 AromaticContact CE3-CG 3.89Å; W2176-F2221 HydrophobicContact CE3-CG 3.89Å; W2176-F2221 HydrophobicContact CG-CD1 4.4Å; W2176-F2221 HydrophobicContact CG-CG 4.45Å; W2176-F2221 HydrophobicContact CZ3-CB 4.24Å
2177L86Confident83.4Confident2.6 Ų2.662 Ų621%0.01433%0.325CS..Iπ-helixtrans-62.5-44.4176.6-73.5171.5000111.2L2158 F2161 V2162 L2173 N2179 F2181 L2209 L2212 F2221L2158-L2177 HydrophobicContact CD1-CB 4.49Å; L2158-L2177 HydrophobicContact CD2-CB 4.39Å; L2158-L2177 HydrophobicContact CD2-CD1 4.33Å; L2158-L2177 HydrophobicContact CD2-CD2 4.15Å; L2158-L2177 HydrophobicContact CD2-CG 4.48Å; F2161-L2177 HydrophobicContact CD1-CD1 4.15Å; V2162-L2177 HydrophobicContact CG2-CD1 3.76Å; L2173-L2177 HydrophobicContact CD1-CD1 4.31Å; L2173-L2177 HydrophobicContact CD1-CG 4.29Å; L2173-L2177 HydrophobicContact CD2-CD1 4.4Å; L2173-L2177 HydrophobicContact CG-CD1 3.88Å; L2173-L2177 HydrophobicContact CG-CG 4.29Å; L2173-L2177 WeakPolarHBondContact O-CB 3.36Å; L2173-L2177 VanDerWaalsContact O-CG 3.28Å; L2173-L2177 WeakPolarHBondContact O-CG 3.29Å; L2173-L2177 PolarHBondContact O-N 3.17Å; L2177-N2179 VanDerWaalsContact C-N 3.33Å; L2177-N2179 PolarHBondContact O-N 3.31Å; L2177-F2181 HydrophobicContact CB-CB 4.48Å; L2177-F2181 HydrophobicContact CD2-CB 4.17Å; L2177-F2181 HydrophobicContact CD2-CD2 3.72Å; L2177-F2181 HydrophobicContact CD2-CE2 4.34Å; L2177-F2181 HydrophobicContact CD2-CG 4.16Å; L2177-F2181 WeakPolarHBondContact O-CA 3.46Å; L2177-F2181 WeakPolarHBondContact O-CB 3.37Å; L2177-F2181 PolarHBondContact O-N 3.19Å; L2177-L2209 HydrophobicContact CD2-CD2 3.97Å; L2177-L2212 HydrophobicContact CD2-CD1 3.91Å; L2177-F2221 HydrophobicContact CD2-CE2 3.92Å; L2177-F2221 HydrophobicContact CD2-CZ 4.15Å; L2177-F2221 HydrophobicContact CG-CE2 4.22Å; L2177-F2221 HydrophobicContact CG-CZ 4.48Å
2178Q83.4Confident83.8Confident136.6 Ų136.655.1 Ų55.164%0.63829%0.292SS*.Iπ-helixtrans-63.7-38.1178.3-147.9174.8-0.400112.6S2174 S2175 W2176S2174-Q2178 WeakPolarHBondContact O-CB 3.32Å; S2174-Q2178 WeakPolarHBondContact O-CG 3.41Å; S2174-Q2178 PolarHBondContact O-N 3.05Å; S2174-Q2178 VanDerWaalsContact O-N 3.1Å; S2175-Q2178 PolarHBondContact O-N 3.04Å; W2176-Q2178 VanDerWaalsContact C-N 3.35Å; W2176-Q2178 PolarHBondContact O-N 3.3Å
2179N84.6Confident83.8Confident92.4 Ų92.453.4 Ų53.449%0.49427%0.274SS..Iπ-helixtrans-80.3-37.4-177-71-33.8000113.8S2175 W2176 L2177 S2183S2175-N2179 WeakPolarHBondContact O-CB 3.4Å; S2175-N2179 VanDerWaalsContact O-CG 3.29Å; S2175-N2179 PolarHBondContact O-N 3.16Å; S2175-N2179 VanDerWaalsContact O-N 3.13Å; S2175-N2179 PolarHBondContact O-ND2 3.31Å; S2175-N2179 PolarHBondContact OG-ND2 2.86Å; W2176-N2179 PolarHBondContact O-N 2.96Å; L2177-N2179 VanDerWaalsContact C-N 3.33Å; L2177-N2179 PolarHBondContact O-N 3.31Å; N2179-S2183 PolarHBondContact O-OG 3.31Å
2180Y86Confident83.9Confident41.6 Ų41.659.2 Ų59.216%0.16330%0.301CS..Iπ-helixtrans-112.3-28.4-169-59.3-64000114W2176 S2184 K2218 F2221 L2222 M2248 A2249W2176-Y2180 HydrophobicContact CB-CD2 4.26Å; W2176-Y2180 WeakPolarHBondContact O-CB 3.34Å; W2176-Y2180 VanDerWaalsContact O-CD2 3.3Å; W2176-Y2180 WeakPolarHBondContact O-CD2 3.32Å; W2176-Y2180 PolarHBondContact O-N 2.99Å; Y2180-S2184 VanDerWaalsContact O-CB 3.26Å; Y2180-S2184 WeakPolarHBondContact O-CB 3.43Å; Y2180-S2184 PolarHBondContact O-N 3.15Å; Y2180-S2184 PolarHBondContact O-OG 3.09Å; Y2180-K2218 VanDerWaalsContact OH-CE 3.29Å; Y2180-K2218 WeakPolarHBondContact OH-CE 3.39Å; Y2180-K2218 PolarHBondContact OH-NZ 3.16Å; Y2180-F2221 HydrophobicContact CD2-CD1 4.46Å; Y2180-F2221 AromaticContact CD2-CE1 3.87Å; Y2180-F2221 HydrophobicContact CD2-CE1 3.91Å; Y2180-F2221 HydrophobicContact CG-CE1 4.39Å; Y2180-L2222 HydrophobicContact CD1-CD2 4.5Å; Y2180-L2222 HydrophobicContact CD2-CD2 4.29Å; Y2180-L2222 HydrophobicContact CG-CD2 4.33Å; Y2180-M2248 HydrophobicContact CD1-CE 4.33Å; Y2180-A2249 HydrophobicContact CD1-CB 4.32Å; Y2180-A2249 HydrophobicContact CE1-CB 3.98Å
2181F85.5Confident83.7Confident0 Ų055.6 Ų55.60%029%0.287CS..Iπ-helixtrans-70.4-48.4-167.6-164.9-94.1000113V2154 L2158 L2177 S2183 S2184 L2185 I2205 L2209 L2225V2154-F2181 HydrophobicContact CG1-CD1 4.24Å; V2154-F2181 HydrophobicContact CG1-CE1 4.25Å; L2158-F2181 HydrophobicContact CD1-CB 4.41Å; L2158-F2181 HydrophobicContact CD1-CD1 4.12Å; L2158-F2181 HydrophobicContact CD1-CG 4.48Å; L2158-F2181 HydrophobicContact CD2-CD1 3.79Å; L2158-F2181 HydrophobicContact CD2-CD2 4.37Å; L2158-F2181 HydrophobicContact CD2-CE1 3.88Å; L2158-F2181 HydrophobicContact CD2-CE2 4.47Å; L2158-F2181 HydrophobicContact CD2-CG 4.08Å; L2158-F2181 HydrophobicContact CD2-CZ 4.28Å; L2158-F2181 HydrophobicContact CG-CD1 4.44Å; L2177-F2181 HydrophobicContact CB-CB 4.48Å; L2177-F2181 HydrophobicContact CD2-CB 4.17Å; L2177-F2181 HydrophobicContact CD2-CD2 3.72Å; L2177-F2181 HydrophobicContact CD2-CE2 4.34Å; L2177-F2181 HydrophobicContact CD2-CG 4.16Å; L2177-F2181 WeakPolarHBondContact O-CA 3.46Å; L2177-F2181 WeakPolarHBondContact O-CB 3.37Å; L2177-F2181 PolarHBondContact O-N 3.19Å; F2181-S2183 PolarHBondContact O-N 3.08Å; F2181-S2184 PolarHBondContact O-N 2.93Å; F2181-L2185 HydrophobicContact CD1-CD1 3.79Å; F2181-L2185 HydrophobicContact CD1-CG 4.25Å; F2181-L2185 HydrophobicContact CE1-CD1 3.57Å; F2181-L2185 VanDerWaalsContact CE1-CD1 3.48Å; F2181-L2185 HydrophobicContact CE1-CD2 4.49Å; F2181-L2185 HydrophobicContact CE1-CG 4.1Å; F2181-L2185 HydrophobicContact CZ-CD1 4.37Å; F2181-L2185 WeakPolarHBondContact O-CG 3.35Å; F2181-L2185 PolarHBondContact O-N 3.32Å; F2181-I2205 HydrophobicContact CE1-CB 4.48Å; F2181-I2205 HydrophobicContact CE1-CG1 4.36Å; F2181-I2205 HydrophobicContact CE1-CG2 3.98Å; F2181-I2205 HydrophobicContact CZ-CB 4.46Å; F2181-I2205 HydrophobicContact CZ-CG2 3.96Å; F2181-L2209 HydrophobicContact CD2-CD2 4.3Å; F2181-L2209 HydrophobicContact CE2-CD2 3.66Å; F2181-L2209 HydrophobicContact CE2-CG 4.1Å; F2181-L2209 HydrophobicContact CZ-CD2 3.93Å; F2181-L2209 HydrophobicContact CZ-CG 3.97Å; F2181-L2225 HydrophobicContact CD2-CD1 3.58Å; F2181-L2225 HydrophobicContact CE2-CD1 3.81Å
2182E82.4Confident83.2Confident103 Ų10349.7 Ų49.748%0.48126%0.261SS..Hα-helixtrans-64.4-42.9179.4-68.8-171.3167.600111.8V2154 S2184 L2185 A2186V2154-E2182 HydrophobicContact CG1-CG 4.36Å; E2182-S2184 VanDerWaalsContact C-N 3.34Å; E2182-S2184 PolarHBondContact O-N 3.15Å; E2182-L2185 WeakPolarHBondContact O-CB 3.4Å; E2182-L2185 PolarHBondContact O-N 3.07Å; E2182-A2186 PolarHBondContact O-N 3.26Å
2183S84.7Confident82.2Confident52.4 Ų52.451.4 Ų51.437%0.36627%0.273SS..Hα-helixtrans-64.2-39.7176-46.40000111.6N2179 F2181 L2185 A2186 V2187 M2248N2179-S2183 PolarHBondContact O-OG 3.31Å; F2181-S2183 PolarHBondContact O-N 3.08Å; S2183-L2185 VanDerWaalsContact C-N 3.34Å; S2183-L2185 PolarHBondContact O-N 2.93Å; S2183-A2186 WeakPolarHBondContact O-CB 3.31Å; S2183-A2186 PolarHBondContact O-N 3.27Å; S2183-V2187 WeakPolarHBondContact O-CG2 3.28Å; S2183-V2187 PolarHBondContact O-N 3.18Å; S2183-V2187 VanDerWaalsContact O-N 3.09Å; S2183-M2248 WeakPolarHBondContact CB-SD 3.38Å
2184S85.8Confident81.1Confident0.8 Ų0.853.5 Ų53.51%0.00630%0.295CS..Hα-helixtrans-65.1-36.1174.4-59.90000112.3Y2180 F2181 E2182 V2187 L2188 F2241 L2245Y2180-S2184 VanDerWaalsContact O-CB 3.26Å; Y2180-S2184 WeakPolarHBondContact O-CB 3.43Å; Y2180-S2184 PolarHBondContact O-N 3.15Å; Y2180-S2184 PolarHBondContact O-OG 3.09Å; F2181-S2184 PolarHBondContact O-N 2.93Å; E2182-S2184 VanDerWaalsContact C-N 3.34Å; E2182-S2184 PolarHBondContact O-N 3.15Å; S2184-V2187 PolarHBondContact O-N 3.19Å; S2184-L2188 WeakPolarHBondContact O-CB 3.4Å; S2184-L2188 PolarHBondContact O-N 3.08Å; S2184-F2241 WeakPolarHBondContact O-CE2 3.37Å; S2184-L2245 VanDerWaalsContact OG-CD1 3.3Å; S2184-L2245 WeakPolarHBondContact OG-CD1 3.44Å
2185L82.4Confident80.1Confident11.8 Ų11.852.8 Ų52.86%0.06229%0.289CS..Hα-helixtrans-65.1-41.8173.1-75.7174.5000111.6V2154 F2181 E2182 S2183 V2187 L2188 F2189 I2205 L2229V2154-L2185 HydrophobicContact CG1-CD1 4.23Å; V2154-L2185 HydrophobicContact CG2-CD1 4.43Å; F2181-L2185 HydrophobicContact CD1-CD1 3.79Å; F2181-L2185 HydrophobicContact CD1-CG 4.25Å; F2181-L2185 HydrophobicContact CE1-CD1 3.57Å; F2181-L2185 VanDerWaalsContact CE1-CD1 3.48Å; F2181-L2185 HydrophobicContact CE1-CD2 4.49Å; F2181-L2185 HydrophobicContact CE1-CG 4.1Å; F2181-L2185 HydrophobicContact CZ-CD1 4.37Å; F2181-L2185 WeakPolarHBondContact O-CG 3.35Å; F2181-L2185 PolarHBondContact O-N 3.32Å; E2182-L2185 WeakPolarHBondContact O-CB 3.4Å; E2182-L2185 PolarHBondContact O-N 3.07Å; S2183-L2185 VanDerWaalsContact C-N 3.34Å; S2183-L2185 PolarHBondContact O-N 2.93Å; L2185-V2187 PolarHBondContact O-N 2.96Å; L2185-L2188 HydrophobicContact CD2-CD2 4.38Å; L2185-L2188 WeakPolarHBondContact O-CB 3.42Å; L2185-L2188 PolarHBondContact O-N 3.12Å; L2185-F2189 HydrophobicContact CB-CE2 4.45Å; L2185-F2189 WeakPolarHBondContact O-CD2 3.41Å; L2185-F2189 PolarHBondContact O-N 3.1Å; L2185-I2205 HydrophobicContact CD1-CG1 4.12Å; L2185-I2205 HydrophobicContact CD2-CG1 4.45Å; L2185-L2229 HydrophobicContact CD2-CD1 4.44Å; L2185-L2229 HydrophobicContact CD2-CD2 3.77Å
2186A83.5Confident78.9Confident56.2 Ų56.254.3 Ų54.346%0.46430%0.297SS..Hα-helixtrans-59.8-46.1175.900000111.7E2182 S2183 L2188 F2189 E2190E2182-A2186 PolarHBondContact O-N 3.26Å; S2183-A2186 WeakPolarHBondContact O-CB 3.31Å; S2183-A2186 PolarHBondContact O-N 3.27Å; A2186-L2188 VanDerWaalsContact C-N 3.31Å; A2186-L2188 PolarHBondContact O-N 3.15Å; A2186-F2189 WeakPolarHBondContact O-CA 3.42Å; A2186-F2189 WeakPolarHBondContact O-CB 3.32Å; A2186-F2189 PolarHBondContact O-N 3.21Å; A2186-F2189 VanDerWaalsContact O-N 3.14Å; A2186-E2190 PolarHBondContact O-N 3.28Å; A2186-E2190 VanDerWaalsContact O-N 3.08Å
2187V83.8Confident78.1Confident18.8 Ų18.855 Ų5511%0.11430%0.303CS..Hα-helixtrans-62.3-38.8175178.20000111.4S2183 S2184 L2185 F2189 E2190 V2191 F2241 K2244S2183-V2187 WeakPolarHBondContact O-CG2 3.28Å; S2183-V2187 PolarHBondContact O-N 3.18Å; S2183-V2187 VanDerWaalsContact O-N 3.09Å; S2184-V2187 PolarHBondContact O-N 3.19Å; L2185-V2187 PolarHBondContact O-N 2.96Å; V2187-F2189 VanDerWaalsContact C-N 3.32Å; V2187-F2189 PolarHBondContact O-N 3.21Å; V2187-E2190 WeakPolarHBondContact O-CB 3.35Å; V2187-E2190 PolarHBondContact O-N 3.08Å; V2187-E2190 VanDerWaalsContact O-N 3.16Å; V2187-V2191 HydrophobicContact CG1-CG2 4.13Å; V2187-V2191 WeakPolarHBondContact O-CG2 3.32Å; V2187-V2191 PolarHBondContact O-N 3.19Å; V2187-F2241 HydrophobicContact CB-CD2 4.46Å; V2187-F2241 HydrophobicContact CB-CE2 4.43Å; V2187-F2241 HydrophobicContact CG1-CD2 3.93Å; V2187-F2241 HydrophobicContact CG1-CE2 4.27Å; V2187-K2244 HydrophobicContact CG1-CB 3.77Å; V2187-K2244 HydrophobicContact CG1-CD 3.88Å; V2187-K2244 HydrophobicContact CG1-CG 4.38Å
2188L83Confident77.3Confident6 Ų663.7 Ų63.73%0.03134%0.344CS..Hα-helixtrans-59.3-44.5174.8-179.369.1000111.1S2184 L2185 A2186 E2190 V2191 M2192 K2204 L2229 L2233 F2241S2184-L2188 WeakPolarHBondContact O-CB 3.4Å; S2184-L2188 PolarHBondContact O-N 3.08Å; L2185-L2188 HydrophobicContact CD2-CD2 4.38Å; L2185-L2188 WeakPolarHBondContact O-CB 3.42Å; L2185-L2188 PolarHBondContact O-N 3.12Å; A2186-L2188 VanDerWaalsContact C-N 3.31Å; A2186-L2188 PolarHBondContact O-N 3.15Å; L2188-E2190 VanDerWaalsContact C-N 3.3Å; L2188-E2190 PolarHBondContact O-N 3.3Å; L2188-V2191 PolarHBondContact O-N 3.07Å; L2188-M2192 HydrophobicContact CD1-CG 4.23Å; L2188-M2192 HydrophobicContact CD1-SD 4.39Å; L2188-M2192 HydrophobicContact CD2-SD 4.49Å; L2188-M2192 HydrophobicContact CG-CE 4.26Å; L2188-M2192 HydrophobicContact CG-CG 4.41Å; L2188-M2192 HydrophobicContact CG-SD 4.2Å; L2188-M2192 WeakPolarHBondContact O-CB 3.36Å; L2188-M2192 WeakPolarHBondContact O-CE 3.42Å; L2188-M2192 WeakPolarHBondContact O-CG 3.34Å; L2188-M2192 PolarHBondContact O-N 3.11Å; L2188-M2192 VanDerWaalsContact O-N 3.13Å; L2188-K2204 HydrophobicContact CD2-CB 4.47Å; L2188-K2204 HydrophobicContact CD2-CD 4.33Å; L2188-L2229 HydrophobicContact CD2-CB 4.33Å; L2188-L2229 HydrophobicContact CD2-CD2 4.28Å; L2188-L2233 HydrophobicContact CD1-CD1 3.79Å; L2188-L2233 HydrophobicContact CD1-CD2 3.84Å; L2188-L2233 HydrophobicContact CD1-CG 3.98Å; L2188-F2241 HydrophobicContact CB-CD2 4.33Å; L2188-F2241 HydrophobicContact CB-CE2 3.95Å; L2188-F2241 HydrophobicContact CB-CZ 4.48Å; L2188-F2241 HydrophobicContact CD1-CD2 4.46Å; L2188-F2241 HydrophobicContact CD1-CE2 4.38Å
2189F79.7Confident76.6Confident99.4 Ų99.461.3 Ų61.344%0.43633%0.329SS..Hα-helixtrans-65.3-30.8176.9-72.5-68000113.3L2185 A2186 V2187 M2192 E2201 K2204L2185-F2189 HydrophobicContact CB-CE2 4.45Å; L2185-F2189 WeakPolarHBondContact O-CD2 3.41Å; L2185-F2189 PolarHBondContact O-N 3.1Å; A2186-F2189 WeakPolarHBondContact O-CA 3.42Å; A2186-F2189 WeakPolarHBondContact O-CB 3.32Å; A2186-F2189 PolarHBondContact O-N 3.21Å; A2186-F2189 VanDerWaalsContact O-N 3.14Å; V2187-F2189 VanDerWaalsContact C-N 3.32Å; V2187-F2189 PolarHBondContact O-N 3.21Å; F2189-M2192 VanDerWaalsContact CA-CE 3.45Å; F2189-M2192 HydrophobicContact CB-CE 4.24Å; F2189-M2192 HydrophobicContact CD1-CE 3.44Å; F2189-M2192 HydrophobicContact CD1-SD 4.13Å; F2189-M2192 HydrophobicContact CE1-CE 4.01Å; F2189-M2192 HydrophobicContact CG-CE 3.92Å; F2189-E2201 HydrophobicContact CZ-CG 4.33Å; F2189-K2204 HydrophobicContact CE1-CD 4.24Å; F2189-K2204 HydrophobicContact CZ-CD 4.29Å
2190E80.9Confident76.1Confident132.6 Ų132.657.8 Ų57.862%0.6231%0.314SS*.Hα-helixtrans-72.8-41176.1-133.1-171.6153.300113A2186 V2187 L2188 M2192 K2244A2186-E2190 PolarHBondContact O-N 3.28Å; A2186-E2190 VanDerWaalsContact O-N 3.08Å; V2187-E2190 WeakPolarHBondContact O-CB 3.35Å; V2187-E2190 PolarHBondContact O-N 3.08Å; V2187-E2190 VanDerWaalsContact O-N 3.16Å; L2188-E2190 VanDerWaalsContact C-N 3.3Å; L2188-E2190 PolarHBondContact O-N 3.3Å; E2190-M2192 VanDerWaalsContact C-N 3.34Å; E2190-K2244 IonicContact OE1-NZ 3.85Å; E2190-K2244 PolarHBondContact OE1-NZ 3.14Å
2191V78.3Confident75.7Confident2.6 Ų2.658.9 Ų58.92%0.01632%0.321CS..Hα-helixtrans-86.1-11.9-173.4179.30000112.7V2187 L2188 N2193 S2237 E2240 F2241 K2244V2187-V2191 HydrophobicContact CG1-CG2 4.13Å; V2187-V2191 WeakPolarHBondContact O-CG2 3.32Å; V2187-V2191 PolarHBondContact O-N 3.19Å; L2188-V2191 PolarHBondContact O-N 3.07Å; V2191-N2193 VanDerWaalsContact C-N 3.32Å; V2191-N2193 PolarHBondContact O-N 3.14Å; V2191-S2237 WeakPolarHBondContact CG1-O 3.38Å; V2191-S2237 PolarHBondContact O-OG 3.12Å; V2191-E2240 HydrophobicContact CG1-CB 4.03Å; V2191-E2240 HydrophobicContact CG1-CG 4.16Å; V2191-E2240 HydrophobicContact CG2-CG 4.16Å; V2191-F2241 HydrophobicContact CG1-CB 4.42Å; V2191-K2244 HydrophobicContact CG2-CD 4.06Å
2192M71.1Confident75.5Confident45.6 Ų45.662.1 Ų62.123%0.22534%0.336CS..  trans-6989.2-178.9-93.4-176.37.300112.9L2188 F2189 E2190 G2194 T2195 K2204 L2233L2188-M2192 HydrophobicContact CD1-CG 4.23Å; L2188-M2192 HydrophobicContact CD1-SD 4.39Å; L2188-M2192 HydrophobicContact CD2-SD 4.49Å; L2188-M2192 HydrophobicContact CG-CE 4.26Å; L2188-M2192 HydrophobicContact CG-CG 4.41Å; L2188-M2192 HydrophobicContact CG-SD 4.2Å; L2188-M2192 WeakPolarHBondContact O-CB 3.36Å; L2188-M2192 WeakPolarHBondContact O-CE 3.42Å; L2188-M2192 WeakPolarHBondContact O-CG 3.34Å; L2188-M2192 PolarHBondContact O-N 3.11Å; L2188-M2192 VanDerWaalsContact O-N 3.13Å; F2189-M2192 VanDerWaalsContact CA-CE 3.45Å; F2189-M2192 HydrophobicContact CB-CE 4.24Å; F2189-M2192 HydrophobicContact CD1-CE 3.44Å; F2189-M2192 HydrophobicContact CD1-SD 4.13Å; F2189-M2192 HydrophobicContact CE1-CE 4.01Å; F2189-M2192 HydrophobicContact CG-CE 3.92Å; E2190-M2192 VanDerWaalsContact C-N 3.34Å; M2192-G2194 PolarHBondContact O-N 3.34Å; M2192-G2194 VanDerWaalsContact O-N 3.12Å; M2192-T2195 HydrophobicContact CE-CG2 3.53Å; M2192-T2195 VanDerWaalsContact CE-CG2 3.44Å; M2192-T2195 HydrophobicContact CG-CG2 4.07Å; M2192-T2195 HydrophobicContact SD-CG2 4.1Å; M2192-K2204 VanDerWaalsContact CE-NZ 3.28Å; M2192-K2204 HydrophobicContact SD-CD 4.45Å; M2192-K2204 PolarHBondContact SD-NZ 3.42Å; M2192-L2233 HydrophobicContact CG-CD2 3.89Å
2193N62Low75.4Confident132.8 Ų132.858.1 Ų58.171%0.7132%0.322SS*.SBendtrans-98.666.4167.3-73.5-31.2000110.8V2191V2191-N2193 VanDerWaalsContact C-N 3.32Å; V2191-N2193 PolarHBondContact O-N 3.14Å
2194G61.2Low75.4Confident47.4 Ų47.457.1 Ų57.149%0.48931%0.311SS..  trans85.3140.2-173.600000112.7M2192M2192-G2194 PolarHBondContact O-N 3.34Å; M2192-G2194 VanDerWaalsContact O-N 3.12Å
2195T64.3Low75.3Confident34.8 Ų34.857.2 Ų57.221%0.21331%0.312CS..  trans-126143173.652.40000109.4M2192 I2197 N2232 L2233M2192-T2195 HydrophobicContact CE-CG2 3.53Å; M2192-T2195 VanDerWaalsContact CE-CG2 3.44Å; M2192-T2195 HydrophobicContact CG-CG2 4.07Å; M2192-T2195 HydrophobicContact SD-CG2 4.1Å; T2195-I2197 PolarHBondContact O-N 2.99Å; T2195-I2197 VanDerWaalsContact O-N 3.12Å; T2195-I2197 PolarHBondContact OG1-O 3.13Å; T2195-N2232 WeakPolarHBondContact CB-ND2 3.33Å; T2195-N2232 WeakPolarHBondContact CG2-O 3.42Å; T2195-L2233 HydrophobicContact CG2-CD2 4.42Å
2196P62.5Low75.5Confident86.6 Ų86.659.3 Ų59.356%0.56233%0.325SS*.SBendtrans-59.5-29.3178.4-4.57.6000113.1N2232P2196-N2232 VanDerWaalsContact CD-O 3.32Å; P2196-N2232 WeakPolarHBondContact CD-O 3.4Å
2197I69.7Low75.6Confident51.6 Ų51.658.6 Ų58.627%0.26531%0.313SS..SBendtrans-129.6116.3176.2-57.4175.1000109T2195 R2199 N2232 I2319 A2321T2195-I2197 PolarHBondContact O-N 2.99Å; T2195-I2197 VanDerWaalsContact O-N 3.12Å; T2195-I2197 PolarHBondContact OG1-O 3.13Å; I2197-R2199 HydrophobicContact CG2-CG 4.14Å; I2197-R2199 PolarHBondContact O-N 3.18Å; I2197-N2232 PolarHBondContact N-OD1 3.35Å; I2197-N2232 PolarHBondContact O-ND2 3.11Å; I2197-I2319 HydrophobicContact CD1-CB 4.43Å; I2197-I2319 HydrophobicContact CD1-CG2 4.03Å; I2197-A2321 HydrophobicContact CD1-CB 3.98Å; I2197-A2321 HydrophobicContact CG1-CB 4.36Å
2198E69.2Low75.7Confident184.6 Ų184.657.7 Ų57.786%0.86331%0.308SS*.  trans-65.9126171.4-83.3-174.1171.900110.4
2199R69.1Low75.9Confident86.4 Ų86.457.9 Ų57.933%0.32631%0.309SS..  trans-131.1141.1175.8-66.5-167.4179.8-167.92.8110.6I2197 K2204 N2207I2197-R2199 HydrophobicContact CG2-CG 4.14Å; I2197-R2199 PolarHBondContact O-N 3.18Å; R2199-K2204 HydrophobicContact CB-CG 4.46Å; R2199-K2204 VanDerWaalsContact O-CE 3.29Å; R2199-K2204 WeakPolarHBondContact O-CE 3.4Å; R2199-N2207 VanDerWaalsContact NH1-CG 3.33Å; R2199-N2207 PolarHBondContact NH1-ND2 3.2Å; R2199-N2207 PolarHBondContact NH1-OD1 3.19Å
2200G73.4Confident76.2Confident18 Ų1853.9 Ų53.919%0.18629%0.293CS..  trans-62.6163168.700000111.9H2202 G2203 K2204G2200-H2202 VanDerWaalsContact C-N 3.32Å; G2200-H2202 PolarHBondContact O-N 3.29Å; G2200-G2203 WeakPolarHBondContact O-CA 3.27Å; G2200-G2203 PolarHBondContact O-N 3.19Å; G2200-K2204 PolarHBondContact O-N 3.07Å; G2200-K2204 VanDerWaalsContact O-N 3.13Å
2201E77.7Confident76.5Confident66 Ų6647.9 Ų47.931%0.30827%0.265SS..Hα-helixtrans-52.7-46.6-176.6-157.3179.3170.300113T2149 F2189 G2203 K2204 I2205T2149-E2201 WeakPolarHBondContact CB-OE2 3.35Å; T2149-E2201 PolarHBondContact OG1-OE2 3Å; F2189-E2201 HydrophobicContact CZ-CG 4.33Å; E2201-G2203 VanDerWaalsContact C-N 3.28Å; E2201-G2203 PolarHBondContact O-N 3.25Å; E2201-K2204 WeakPolarHBondContact O-CB 3.34Å; E2201-K2204 PolarHBondContact O-N 3.14Å; E2201-K2204 VanDerWaalsContact O-N 3.07Å; E2201-I2205 HydrophobicContact CG-CD1 4.26Å; E2201-I2205 WeakPolarHBondContact O-CG1 3.42Å; E2201-I2205 PolarHBondContact O-N 2.94Å
2202H80.3Confident76.9Confident66.4 Ų66.447.7 Ų47.731%0.30726%0.264SS..Hα-helixtrans-58.2-39.2175.3-17965.3000112.7G2016 Q2157 G2200 K2204 I2205 V2206G2016-H2202 VanDerWaalsContact CA-CD2 3.46Å; G2016-H2202 WeakPolarHBondContact CA-CD2 3.38Å; Q2157-H2202 VanDerWaalsContact CD-ND1 3.33Å; Q2157-H2202 PolarHBondContact NE2-ND1 3.04Å; Q2157-H2202 PolarHBondContact OE1-CE1 3.01Å; Q2157-H2202 PolarHBondContact OE1-ND1 3.28Å; G2200-H2202 VanDerWaalsContact C-N 3.32Å; G2200-H2202 PolarHBondContact O-N 3.29Å; H2202-K2204 VanDerWaalsContact C-N 3.27Å; H2202-K2204 PolarHBondContact O-N 3.05Å; H2202-I2205 PolarHBondContact O-N 3.12Å; H2202-V2206 VanDerWaalsContact CE1-CG2 3.46Å; H2202-V2206 WeakPolarHBondContact CE1-CG2 3.27Å; H2202-V2206 WeakPolarHBondContact NE2-CG2 3.38Å; H2202-V2206 WeakPolarHBondContact O-CB 3.31Å; H2202-V2206 VanDerWaalsContact O-CG2 3.31Å; H2202-V2206 WeakPolarHBondContact O-CG2 3.33Å; H2202-V2206 PolarHBondContact O-N 3.27Å
2203G81.3Confident77.4Confident19.2 Ų19.246.7 Ų46.720%0.19826%0.26CS..Hα-helixtrans-63.2-33.8176.700000112.6G2200 E2201 N2207G2200-G2203 WeakPolarHBondContact O-CA 3.27Å; G2200-G2203 PolarHBondContact O-N 3.19Å; E2201-G2203 VanDerWaalsContact C-N 3.28Å; E2201-G2203 PolarHBondContact O-N 3.25Å; G2203-N2207 WeakPolarHBondContact O-CB 3.33Å; G2203-N2207 PolarHBondContact O-N 3.15Å; G2203-N2207 VanDerWaalsContact O-N 3.12Å; G2203-N2207 PolarHBondContact O-ND2 2.73Å; G2203-N2207 PolarHBondContact O-OD1 2.81Å; G2203-N2207 VanDerWaalsContact O-OD1 3.07Å
2204K83.6Confident78.1Confident32 Ų3245.2 Ų45.214%0.13925%0.252CS..Hα-helixtrans-70.7-44.4174.4-59.5179.9-176.61670111.2L2188 F2189 M2192 R2199 G2200 E2201 H2202 V2206 N2207 G2208L2188-K2204 HydrophobicContact CD2-CB 4.47Å; L2188-K2204 HydrophobicContact CD2-CD 4.33Å; F2189-K2204 HydrophobicContact CE1-CD 4.24Å; F2189-K2204 HydrophobicContact CZ-CD 4.29Å; M2192-K2204 VanDerWaalsContact CE-NZ 3.28Å; M2192-K2204 HydrophobicContact SD-CD 4.45Å; M2192-K2204 PolarHBondContact SD-NZ 3.42Å; R2199-K2204 HydrophobicContact CB-CG 4.46Å; R2199-K2204 VanDerWaalsContact O-CE 3.29Å; R2199-K2204 WeakPolarHBondContact O-CE 3.4Å; G2200-K2204 PolarHBondContact O-N 3.07Å; G2200-K2204 VanDerWaalsContact O-N 3.13Å; E2201-K2204 WeakPolarHBondContact O-CB 3.34Å; E2201-K2204 PolarHBondContact O-N 3.14Å; E2201-K2204 VanDerWaalsContact O-N 3.07Å; H2202-K2204 VanDerWaalsContact C-N 3.27Å; H2202-K2204 PolarHBondContact O-N 3.05Å; K2204-V2206 PolarHBondContact O-N 3.49Å; K2204-N2207 WeakPolarHBondContact O-CB 3.38Å; K2204-N2207 PolarHBondContact O-N 3.08Å; K2204-N2207 VanDerWaalsContact O-N 3.16Å; K2204-G2208 PolarHBondContact O-N 3.01Å; K2204-G2208 VanDerWaalsContact O-N 3.14Å
2205I85.4Confident79.1Confident2.4 Ų2.443 Ų431%0.01223%0.229CC..Hα-helixtrans-60-49.7176.9-64.1165.4000110.6V2154 Q2157 F2181 L2185 E2201 H2202 N2207 G2208 L2209V2154-I2205 HydrophobicContact CG1-CD1 4.36Å; V2154-I2205 HydrophobicContact CG2-CD1 3.95Å; Q2157-I2205 HydrophobicContact CB-CG2 4.4Å; Q2157-I2205 VanDerWaalsContact OE1-CG2 3.31Å; F2181-I2205 HydrophobicContact CE1-CB 4.48Å; F2181-I2205 HydrophobicContact CE1-CG1 4.36Å; F2181-I2205 HydrophobicContact CE1-CG2 3.98Å; F2181-I2205 HydrophobicContact CZ-CB 4.46Å; F2181-I2205 HydrophobicContact CZ-CG2 3.96Å; L2185-I2205 HydrophobicContact CD1-CG1 4.12Å; L2185-I2205 HydrophobicContact CD2-CG1 4.45Å; E2201-I2205 HydrophobicContact CG-CD1 4.26Å; E2201-I2205 WeakPolarHBondContact O-CG1 3.42Å; E2201-I2205 PolarHBondContact O-N 2.94Å; H2202-I2205 PolarHBondContact O-N 3.12Å; I2205-N2207 VanDerWaalsContact C-N 3.29Å; I2205-N2207 PolarHBondContact O-N 3.2Å; I2205-G2208 PolarHBondContact O-N 3.15Å; I2205-G2208 VanDerWaalsContact O-N 3.14Å; I2205-L2209 HydrophobicContact CG2-CD1 3.83Å; I2205-L2209 HydrophobicContact CG2-CG 4.34Å; I2205-L2209 WeakPolarHBondContact O-CG 3.33Å; I2205-L2209 PolarHBondContact O-N 3.21Å
2206V84.7Confident80.1Confident56.4 Ų56.450 Ų5034%0.34225%0.251SS..Hα-helixtrans-62-35.5179.5172.50000111.8H2202 K2204 L2209 S2210H2202-V2206 VanDerWaalsContact CE1-CG2 3.46Å; H2202-V2206 WeakPolarHBondContact CE1-CG2 3.27Å; H2202-V2206 WeakPolarHBondContact NE2-CG2 3.38Å; H2202-V2206 WeakPolarHBondContact O-CB 3.31Å; H2202-V2206 VanDerWaalsContact O-CG2 3.31Å; H2202-V2206 WeakPolarHBondContact O-CG2 3.33Å; H2202-V2206 PolarHBondContact O-N 3.27Å; K2204-V2206 PolarHBondContact O-N 3.49Å; V2206-L2209 PolarHBondContact O-N 3.17Å; V2206-S2210 VanDerWaalsContact O-CB 3.27Å; V2206-S2210 WeakPolarHBondContact O-CB 3.35Å; V2206-S2210 PolarHBondContact O-N 3.15Å; V2206-S2210 VanDerWaalsContact O-N 3.12Å
2207N85.8Confident81.3Confident41 Ų4149.5 Ų49.522%0.21924%0.243CC..Hα-helixtrans-65-45.6174.2-117.128.1000111.4R2199 G2203 K2204 I2205 L2209 S2210 G2228R2199-N2207 VanDerWaalsContact NH1-CG 3.33Å; R2199-N2207 PolarHBondContact NH1-ND2 3.2Å; R2199-N2207 PolarHBondContact NH1-OD1 3.19Å; G2203-N2207 WeakPolarHBondContact O-CB 3.33Å; G2203-N2207 PolarHBondContact O-N 3.15Å; G2203-N2207 VanDerWaalsContact O-N 3.12Å; G2203-N2207 PolarHBondContact O-ND2 2.73Å; G2203-N2207 PolarHBondContact O-OD1 2.81Å; G2203-N2207 VanDerWaalsContact O-OD1 3.07Å; K2204-N2207 WeakPolarHBondContact O-CB 3.38Å; K2204-N2207 PolarHBondContact O-N 3.08Å; K2204-N2207 VanDerWaalsContact O-N 3.16Å; I2205-N2207 VanDerWaalsContact C-N 3.29Å; I2205-N2207 PolarHBondContact O-N 3.2Å; N2207-L2209 VanDerWaalsContact C-N 3.31Å; N2207-L2209 PolarHBondContact O-N 3.19Å; N2207-S2210 VanDerWaalsContact O-CB 3.29Å; N2207-S2210 WeakPolarHBondContact O-CB 3.32Å; N2207-S2210 PolarHBondContact O-N 3.22Å; N2207-S2210 VanDerWaalsContact O-N 3.1Å; N2207-S2210 PolarHBondContact O-OG 3.25Å; N2207-G2228 CarbonylContact C-O 3.54Å; N2207-G2228 VanDerWaalsContact C-O 3.28Å; N2207-G2228 WeakPolarHBondContact CB-O 3.36Å; N2207-G2228 PolarHBondContact ND2-O 3.13Å; N2207-G2228 CarbonylContact O-C 3.57Å; N2207-G2228 VanDerWaalsContact O-CA 3.3Å; N2207-G2228 WeakPolarHBondContact O-CA 3.32Å
2208G86.6Confident82.2Confident0 Ų049.8 Ų49.80%024%0.242CC..Hα-helixtrans-58.7-40.4175.200000113.2K2204 I2205 S2210 L2212 G2228K2204-G2208 PolarHBondContact O-N 3.01Å; K2204-G2208 VanDerWaalsContact O-N 3.14Å; I2205-G2208 PolarHBondContact O-N 3.15Å; I2205-G2208 VanDerWaalsContact O-N 3.14Å; G2208-S2210 VanDerWaalsContact C-N 3.29Å; G2208-S2210 PolarHBondContact O-N 3.25Å; G2208-L2212 WeakPolarHBondContact O-CD1 3.37Å; G2208-L2212 WeakPolarHBondContact O-CG 3.29Å; G2208-G2228 PolarHBondContact N-O 3.44Å
2209L87.3Confident83.2Confident10.4 Ų10.445 Ų455%0.05422%0.216CC..Hα-helixtrans-79.8-16.3179.5-62.1176.7000113.9L2158 F2161 L2177 F2181 I2205 V2206 N2207 L2211 L2212L2158-L2209 HydrophobicContact CD2-CD1 4.23Å; L2158-L2209 HydrophobicContact CD2-CD2 3.75Å; L2158-L2209 HydrophobicContact CD2-CG 4.44Å; F2161-L2209 HydrophobicContact CB-CD1 4.09Å; F2161-L2209 HydrophobicContact CD1-CB 4.49Å; F2161-L2209 HydrophobicContact CD1-CD1 4.47Å; F2161-L2209 HydrophobicContact CD1-CD2 3.86Å; F2161-L2209 HydrophobicContact CD1-CG 4.45Å; F2161-L2209 HydrophobicContact CD2-CB 4.24Å; F2161-L2209 HydrophobicContact CD2-CD1 4.43Å; F2161-L2209 HydrophobicContact CE1-CB 4.47Å; F2161-L2209 HydrophobicContact CE1-CD2 4.12Å; F2161-L2209 HydrophobicContact CE2-CB 4.23Å; F2161-L2209 WeakPolarHBondContact CE2-O 3.42Å; F2161-L2209 HydrophobicContact CG-CB 4.38Å; F2161-L2209 HydrophobicContact CG-CD1 4.16Å; F2161-L2209 HydrophobicContact CG-CD2 4.25Å; F2161-L2209 HydrophobicContact CG-CG 4.43Å; F2161-L2209 HydrophobicContact CZ-CB 4.37Å; F2161-L2209 VanDerWaalsContact CZ-O 3.28Å; F2161-L2209 WeakPolarHBondContact CZ-O 3.27Å; L2177-L2209 HydrophobicContact CD2-CD2 3.97Å; F2181-L2209 HydrophobicContact CD2-CD2 4.3Å; F2181-L2209 HydrophobicContact CE2-CD2 3.66Å; F2181-L2209 HydrophobicContact CE2-CG 4.1Å; F2181-L2209 HydrophobicContact CZ-CD2 3.93Å; F2181-L2209 HydrophobicContact CZ-CG 3.97Å; I2205-L2209 HydrophobicContact CG2-CD1 3.83Å; I2205-L2209 HydrophobicContact CG2-CG 4.34Å; I2205-L2209 WeakPolarHBondContact O-CG 3.33Å; I2205-L2209 PolarHBondContact O-N 3.21Å; V2206-L2209 PolarHBondContact O-N 3.17Å; N2207-L2209 VanDerWaalsContact C-N 3.31Å; N2207-L2209 PolarHBondContact O-N 3.19Å; L2209-L2211 VanDerWaalsContact C-N 3.27Å; L2209-L2211 PolarHBondContact O-N 3.2Å; L2209-L2211 VanDerWaalsContact O-N 3.15Å; L2209-L2212 HydrophobicContact CD2-CD1 4.15Å; L2209-L2212 PolarHBondContact O-N 3.34Å; L2209-L2212 VanDerWaalsContact O-N 3.14Å
2210S85.7Confident84.2Confident15 Ų1541.9 Ų41.911%0.10521%0.206CC..THydrogen-bonded Turntrans-64.6-31.2-170.366.10000114V2206 N2207 G2208 N2213V2206-S2210 VanDerWaalsContact O-CB 3.27Å; V2206-S2210 WeakPolarHBondContact O-CB 3.35Å; V2206-S2210 PolarHBondContact O-N 3.15Å; V2206-S2210 VanDerWaalsContact O-N 3.12Å; N2207-S2210 VanDerWaalsContact O-CB 3.29Å; N2207-S2210 WeakPolarHBondContact O-CB 3.32Å; N2207-S2210 PolarHBondContact O-N 3.22Å; N2207-S2210 VanDerWaalsContact O-N 3.1Å; N2207-S2210 PolarHBondContact O-OG 3.25Å; G2208-S2210 VanDerWaalsContact C-N 3.29Å; G2208-S2210 PolarHBondContact O-N 3.25Å; S2210-N2213 PolarHBondContact O-ND2 3.19Å; S2210-N2213 VanDerWaalsContact O-ND2 3.07Å
2211L86.4Confident85Confident5.8 Ų5.841.1 Ų41.13%0.0320%0.197CC..THydrogen-bonded Turntrans-94.9-7.6-178.6-57.1179.9000113.2L2209 N2213 K2224 R2227 T2306 V2309 L2310L2209-L2211 VanDerWaalsContact C-N 3.27Å; L2209-L2211 PolarHBondContact O-N 3.2Å; L2209-L2211 VanDerWaalsContact O-N 3.15Å; L2211-N2213 VanDerWaalsContact C-N 3.32Å; L2211-N2213 PolarHBondContact O-N 3.12Å; L2211-N2213 VanDerWaalsContact O-N 3.16Å; L2211-K2224 HydrophobicContact CB-CB 4.07Å; L2211-K2224 HydrophobicContact CB-CD 4.35Å; L2211-K2224 HydrophobicContact CB-CG 4.28Å; L2211-K2224 VanDerWaalsContact O-CD 3.28Å; L2211-K2224 WeakPolarHBondContact O-CD 3.34Å; L2211-R2227 HydrophobicContact CD1-CB 3.66Å; L2211-T2306 HydrophobicContact CD1-CG2 4.02Å; L2211-T2306 HydrophobicContact CD2-CG2 4.06Å; L2211-V2309 HydrophobicContact CB-CG1 4.45Å; L2211-V2309 HydrophobicContact CD2-CB 4.11Å; L2211-V2309 HydrophobicContact CD2-CG1 3.76Å; L2211-L2310 HydrophobicContact CD2-CD1 4.46Å; L2211-L2310 HydrophobicContact CD2-CD2 3.83Å; L2211-L2310 HydrophobicContact CD2-CG 3.89Å
2212L87Confident85.7Confident0 Ų037.9 Ų37.90%018%0.182CC..  trans-87.920.9-170.6-63.3178.1000114.4F2161 L2177 G2208 L2209 V2215 F2221 K2224 L2225F2161-L2212 HydrophobicContact CE1-CB 3.98Å; F2161-L2212 HydrophobicContact CZ-CB 3.96Å; L2177-L2212 HydrophobicContact CD2-CD1 3.91Å; G2208-L2212 WeakPolarHBondContact O-CD1 3.37Å; G2208-L2212 WeakPolarHBondContact O-CG 3.29Å; L2209-L2212 HydrophobicContact CD2-CD1 4.15Å; L2209-L2212 PolarHBondContact O-N 3.34Å; L2209-L2212 VanDerWaalsContact O-N 3.14Å; L2212-V2215 HydrophobicContact CD2-CG2 4.41Å; L2212-F2221 HydrophobicContact CD1-CD2 4.4Å; L2212-F2221 HydrophobicContact CD1-CE2 3.93Å; L2212-F2221 HydrophobicContact CD2-CD2 3.81Å; L2212-F2221 HydrophobicContact CD2-CE2 4.09Å; L2212-F2221 HydrophobicContact CD2-CG 4.46Å; L2212-K2224 HydrophobicContact CD2-CB 3.78Å; L2212-L2225 HydrophobicContact CD1-CD1 4.23Å; L2212-L2225 HydrophobicContact CD2-CB 4.36Å
2213N81.4Confident86.1Confident24.4 Ų24.435 Ų3513%0.1317%0.169CC..THydrogen-bonded Turntrans-76.6141.3175.3-56.2-45.7000110.3F2161 Q2165 S2210 L2211 V2215 K2224 R2316F2161-N2213 WeakPolarHBondContact CE2-OD1 3.46Å; F2161-N2213 WeakPolarHBondContact CZ-OD1 3.47Å; Q2165-N2213 PolarHBondContact NE2-OD1 3.06Å; S2210-N2213 PolarHBondContact O-ND2 3.19Å; S2210-N2213 VanDerWaalsContact O-ND2 3.07Å; L2211-N2213 VanDerWaalsContact C-N 3.32Å; L2211-N2213 PolarHBondContact O-N 3.12Å; L2211-N2213 VanDerWaalsContact O-N 3.16Å; N2213-V2215 PolarHBondContact O-N 3.25Å; N2213-V2215 VanDerWaalsContact O-N 3.11Å; N2213-K2224 PolarHBondContact O-NZ 3.43Å; N2213-R2316 PolarHBondContact OD1-NH2 3.21Å; N2213-R2316 VanDerWaalsContact OD1-NH2 3.08Å
2214D77.3Confident86.5Confident100 Ų10035.4 Ų35.454%0.53517%0.165SC..THydrogen-bonded Turntrans53.425.1175.4-70.3-36.1000116.8R2216D2214-R2216 PolarHBondContact O-N 3.04Å
2215V83.4Confident86.9Confident2.2 Ų2.233.9 Ų33.91%0.01316%0.159CC..  trans-72.7127.8177-177.40000111.1W2176 L2212 N2213 M2217 D2220 F2221 K2224W2176-V2215 HydrophobicContact CZ3-CG1 4.29Å; L2212-V2215 HydrophobicContact CD2-CG2 4.41Å; N2213-V2215 PolarHBondContact O-N 3.25Å; N2213-V2215 VanDerWaalsContact O-N 3.11Å; V2215-M2217 WeakPolarHBondContact CG1-O 3.38Å; V2215-D2220 HydrophobicContact CG1-CB 4.08Å; V2215-F2221 HydrophobicContact CG1-CB 3.68Å; V2215-K2224 HydrophobicContact CG2-CD 3.71Å
2216R84.1Confident87.1Confident181.2 Ų181.234 Ų3468%0.68416%0.16SC*.  trans-113-18.9-177-59.2-175.7-174.9-174.60.8114.8T2169 D2214T2169-R2216 HydrophobicContact CG2-CG 4.24Å; D2214-R2216 PolarHBondContact O-N 3.04Å
2217M87.9Confident87.2Confident76.6 Ų76.632.2 Ų32.238%0.37715%0.147SC..SBendtrans-124.6144.5-174-59.2-59.6-74.100110.2V2215 R2219 D2220 F2221 Y2264 D2269V2215-M2217 WeakPolarHBondContact CG1-O 3.38Å; M2217-R2219 VanDerWaalsContact C-N 3.28Å; M2217-R2219 PolarHBondContact O-N 3.2Å; M2217-D2220 HydrophobicContact CB-CB 4.46Å; M2217-D2220 PolarHBondContact O-N 3.23Å; M2217-F2221 PolarHBondContact O-N 3.11Å; M2217-F2221 VanDerWaalsContact O-N 3.07Å; M2217-Y2264 WeakPolarHBondContact CB-OH 3.28Å; M2217-Y2264 VanDerWaalsContact CG-OH 3.29Å; M2217-Y2264 WeakPolarHBondContact CG-OH 3.37Å; M2217-D2269 HydrophobicContact CE-CB 4.01Å; M2217-D2269 VanDerWaalsContact CE-CG 3.41Å; M2217-D2269 WeakPolarHBondContact CE-OD2 3.33Å
2218K88.9Confident87.4Confident58.6 Ų58.630.4 Ų30.426%0.25514%0.138SC..Hα-helixtrans-58.8-38.7-179.3-176.8-166.7170.6-151.30111.7W2176 Y2180 F2221 L2222 A2249 E2251W2176-K2218 HydrophobicContact CZ2-CB 4.08Å; Y2180-K2218 VanDerWaalsContact OH-CE 3.29Å; Y2180-K2218 WeakPolarHBondContact OH-CE 3.39Å; Y2180-K2218 PolarHBondContact OH-NZ 3.16Å; K2218-F2221 WeakPolarHBondContact O-CB 3.4Å; K2218-F2221 PolarHBondContact O-N 3.24Å; K2218-L2222 HydrophobicContact CG-CD1 4.3Å; K2218-L2222 WeakPolarHBondContact O-CG 3.4Å; K2218-L2222 PolarHBondContact O-N 3.08Å; K2218-L2222 VanDerWaalsContact O-N 3.07Å; K2218-A2249 PolarHBondContact NZ-O 3.18Å; K2218-A2249 VanDerWaalsContact NZ-O 3.17Å; K2218-E2251 WeakPolarHBondContact CE-OE1 3.27Å; K2218-E2251 IonicContact NZ-OE1 3.54Å; K2218-E2251 PolarHBondContact NZ-OE1 3.22Å
2219R90.4Very high87.4Confident83.4 Ų83.430.7 Ų30.732%0.31514%0.14SC..Hα-helixtrans-67-44.5-177.6-74.3-179.6167.9161.81.3112.6M2217 F2221 L2222 L2223 E2251 Y2264 D2269 Y2271M2217-R2219 VanDerWaalsContact C-N 3.28Å; M2217-R2219 PolarHBondContact O-N 3.2Å; R2219-F2221 VanDerWaalsContact C-N 3.33Å; R2219-F2221 PolarHBondContact O-N 3.03Å; R2219-L2222 PolarHBondContact O-N 3.2Å; R2219-L2223 PolarHBondContact O-N 3.33Å; R2219-L2223 VanDerWaalsContact O-N 3.13Å; R2219-E2251 WeakPolarHBondContact CG-OE2 3.44Å; R2219-E2251 IonicContact CZ-OE2 3.06Å; R2219-E2251 IonicContact NE-OE2 3.84Å; R2219-E2251 PolarHBondContact NE-OE2 3.17Å; R2219-E2251 VanDerWaalsContact NE-OE2 3.17Å; R2219-E2251 IonicContact NH2-OE2 3.44Å; R2219-E2251 PolarHBondContact NH2-OE2 3.43Å; R2219-Y2264 HydrophobicContact CB-CD2 3.96Å; R2219-Y2264 HydrophobicContact CB-CE2 3.74Å; R2219-D2269 VanDerWaalsContact CD-O 3.27Å; R2219-D2269 WeakPolarHBondContact CD-O 3.36Å; R2219-D2269 PolarHBondContact NH1-O 3.31Å; R2219-Y2271 VanDerWaalsContact CA-OH 3.25Å; R2219-Y2271 WeakPolarHBondContact CA-OH 3.36Å; R2219-Y2271 HydrophobicContact CB-CE1 3.82Å; R2219-Y2271 HydrophobicContact CB-CE2 4.29Å; R2219-Y2271 HydrophobicContact CG-CE1 4.34Å; R2219-Y2271 HydrophobicContact CG-CE2 3.9Å; R2219-Y2271 WeakPolarHBondContact O-CE1 3.3Å; R2219-Y2271 PolarHBondContact O-OH 3.27Å; R2219-Y2271 VanDerWaalsContact O-OH 3.04Å
2220D89.8Confident87.3Confident21.2 Ų21.230.2 Ų30.211%0.11314%0.137CC..Hα-helixtrans-60.5-42.6172.3-171.735.4000111.4V2215 M2217 L2222 L2223 K2224 Y2264V2215-D2220 HydrophobicContact CG1-CB 4.08Å; M2217-D2220 HydrophobicContact CB-CB 4.46Å; M2217-D2220 PolarHBondContact O-N 3.23Å; D2220-L2222 PolarHBondContact O-N 3.06Å; D2220-L2223 PolarHBondContact O-N 3Å; D2220-K2224 WeakPolarHBondContact O-CB 3.4Å; D2220-K2224 WeakPolarHBondContact O-CG 3.35Å; D2220-K2224 PolarHBondContact O-N 3.23Å; D2220-K2224 VanDerWaalsContact OD1-CD 3.28Å; D2220-K2224 WeakPolarHBondContact OD1-CD 3.41Å; D2220-K2224 VanDerWaalsContact OD1-CE 3.23Å; D2220-K2224 WeakPolarHBondContact OD1-CE 3.38Å; D2220-K2224 IonicContact OD1-NZ 3.36Å; D2220-K2224 PolarHBondContact OD1-NZ 3.27Å; D2220-K2224 WeakPolarHBondContact OD2-CE 3.39Å; D2220-K2224 IonicContact OD2-NZ 3.18Å; D2220-K2224 PolarHBondContact OD2-NZ 3.1Å; D2220-Y2264 HydrophobicContact CB-CD1 3.69Å; D2220-Y2264 HydrophobicContact CB-CD2 4.39Å; D2220-Y2264 HydrophobicContact CB-CE1 3.65Å; D2220-Y2264 HydrophobicContact CB-CE2 4.35Å; D2220-Y2264 HydrophobicContact CB-CG 4.08Å
2221F91Very high87.1Confident0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-56-50.4175.9170.7-92.9000112.3L2173 W2176 L2177 Y2180 L2212 V2215 M2217 K2218 R2219 L2223 K2224 L2225L2173-F2221 HydrophobicContact CD1-CD2 3.88Å; L2173-F2221 HydrophobicContact CD1-CE2 3.92Å; W2176-F2221 HydrophobicContact CB-CD1 3.95Å; W2176-F2221 HydrophobicContact CB-CD2 4.16Å; W2176-F2221 HydrophobicContact CB-CE1 3.72Å; W2176-F2221 HydrophobicContact CB-CE2 3.91Å; W2176-F2221 HydrophobicContact CB-CG 4.18Å; W2176-F2221 HydrophobicContact CB-CZ 3.69Å; W2176-F2221 HydrophobicContact CD2-CB 4.45Å; W2176-F2221 HydrophobicContact CD2-CG 4.34Å; W2176-F2221 HydrophobicContact CE3-CB 3.87Å; W2176-F2221 AromaticContact CE3-CD2 3.93Å; W2176-F2221 HydrophobicContact CE3-CD2 3.96Å; W2176-F2221 AromaticContact CE3-CG 3.89Å; W2176-F2221 HydrophobicContact CE3-CG 3.89Å; W2176-F2221 HydrophobicContact CG-CD1 4.4Å; W2176-F2221 HydrophobicContact CG-CG 4.45Å; W2176-F2221 HydrophobicContact CZ3-CB 4.24Å; L2177-F2221 HydrophobicContact CD2-CE2 3.92Å; L2177-F2221 HydrophobicContact CD2-CZ 4.15Å; L2177-F2221 HydrophobicContact CG-CE2 4.22Å; L2177-F2221 HydrophobicContact CG-CZ 4.48Å; Y2180-F2221 HydrophobicContact CD2-CD1 4.46Å; Y2180-F2221 AromaticContact CD2-CE1 3.87Å; Y2180-F2221 HydrophobicContact CD2-CE1 3.91Å; Y2180-F2221 HydrophobicContact CG-CE1 4.39Å; L2212-F2221 HydrophobicContact CD1-CD2 4.4Å; L2212-F2221 HydrophobicContact CD1-CE2 3.93Å; L2212-F2221 HydrophobicContact CD2-CD2 3.81Å; L2212-F2221 HydrophobicContact CD2-CE2 4.09Å; L2212-F2221 HydrophobicContact CD2-CG 4.46Å; V2215-F2221 HydrophobicContact CG1-CB 3.68Å; M2217-F2221 PolarHBondContact O-N 3.11Å; M2217-F2221 VanDerWaalsContact O-N 3.07Å; K2218-F2221 WeakPolarHBondContact O-CB 3.4Å; K2218-F2221 PolarHBondContact O-N 3.24Å; R2219-F2221 VanDerWaalsContact C-N 3.33Å; R2219-F2221 PolarHBondContact O-N 3.03Å; F2221-L2223 PolarHBondContact O-N 3.4Å; F2221-K2224 PolarHBondContact O-N 3.2Å; F2221-L2225 HydrophobicContact CE1-CD2 3.9Å; F2221-L2225 HydrophobicContact CZ-CD2 4.02Å; F2221-L2225 VanDerWaalsContact O-CB 3.23Å; F2221-L2225 WeakPolarHBondContact O-CB 3.39Å; F2221-L2225 PolarHBondContact O-N 3.1Å
2222L90.8Very high86.9Confident0.4 Ų0.433.1 Ų33.10%0.00216%0.164CC..Hα-helixtrans-65.7-40.6-178.1-68.2170.4000112Y2180 K2218 R2219 D2220 L2225 C2226 L2245 A2249 E2251Y2180-L2222 HydrophobicContact CD1-CD2 4.5Å; Y2180-L2222 HydrophobicContact CD2-CD2 4.29Å; Y2180-L2222 HydrophobicContact CG-CD2 4.33Å; K2218-L2222 HydrophobicContact CG-CD1 4.3Å; K2218-L2222 WeakPolarHBondContact O-CG 3.4Å; K2218-L2222 PolarHBondContact O-N 3.08Å; K2218-L2222 VanDerWaalsContact O-N 3.07Å; R2219-L2222 PolarHBondContact O-N 3.2Å; D2220-L2222 PolarHBondContact O-N 3.06Å; L2222-L2225 PolarHBondContact O-N 3.02Å; L2222-C2226 VanDerWaalsContact O-CB 3.27Å; L2222-C2226 WeakPolarHBondContact O-CB 3.32Å; L2222-C2226 PolarHBondContact O-N 2.95Å; L2222-L2245 HydrophobicContact CB-CD2 4.35Å; L2222-L2245 HydrophobicContact CD2-CD2 4.04Å; L2222-A2249 HydrophobicContact CD1-CB 3.53Å; L2222-A2249 HydrophobicContact CD2-CB 3.68Å; L2222-A2249 HydrophobicContact CG-CB 4.26Å; L2222-E2251 HydrophobicContact CD1-CB 4.47Å; L2222-E2251 HydrophobicContact CD1-CG 3.84Å; L2222-E2251 VanDerWaalsContact CD1-CG 3.49Å
2223L89.9Confident86.8Confident5.4 Ų5.433.9 Ų33.93%0.02817%0.168CC..Hα-helixtrans-63.7-47.9177.1179.561.7000111.5R2219 D2220 F2221 L2225 C2226 R2227 I2262 Y2271R2219-L2223 PolarHBondContact O-N 3.33Å; R2219-L2223 VanDerWaalsContact O-N 3.13Å; D2220-L2223 PolarHBondContact O-N 3Å; F2221-L2223 PolarHBondContact O-N 3.4Å; L2223-L2225 VanDerWaalsContact C-N 3.33Å; L2223-L2225 PolarHBondContact O-N 3.17Å; L2223-C2226 WeakPolarHBondContact O-CB 3.32Å; L2223-C2226 PolarHBondContact O-N 3.24Å; L2223-R2227 HydrophobicContact CD1-CG 4.46Å; L2223-R2227 WeakPolarHBondContact O-CG 3.39Å; L2223-R2227 PolarHBondContact O-N 3.08Å; L2223-I2262 HydrophobicContact CD1-CB 4.19Å; L2223-I2262 HydrophobicContact CD1-CD1 3.84Å; L2223-I2262 HydrophobicContact CD1-CG1 4.15Å; L2223-I2262 HydrophobicContact CD1-CG2 3.81Å; L2223-Y2271 HydrophobicContact CB-CE1 4.29Å
2224K89.8Confident86.7Confident26.8 Ų26.838.4 Ų38.412%0.11719%0.188CC..Hα-helixtrans-66.3-36178.2-72.7179.6177.8175.90112.2L2211 L2212 N2213 V2215 D2220 F2221 R2227 G2228L2211-K2224 HydrophobicContact CB-CB 4.07Å; L2211-K2224 HydrophobicContact CB-CD 4.35Å; L2211-K2224 HydrophobicContact CB-CG 4.28Å; L2211-K2224 VanDerWaalsContact O-CD 3.28Å; L2211-K2224 WeakPolarHBondContact O-CD 3.34Å; L2212-K2224 HydrophobicContact CD2-CB 3.78Å; N2213-K2224 PolarHBondContact O-NZ 3.43Å; V2215-K2224 HydrophobicContact CG2-CD 3.71Å; D2220-K2224 WeakPolarHBondContact O-CB 3.4Å; D2220-K2224 WeakPolarHBondContact O-CG 3.35Å; D2220-K2224 PolarHBondContact O-N 3.23Å; D2220-K2224 VanDerWaalsContact OD1-CD 3.28Å; D2220-K2224 WeakPolarHBondContact OD1-CD 3.41Å; D2220-K2224 VanDerWaalsContact OD1-CE 3.23Å; D2220-K2224 WeakPolarHBondContact OD1-CE 3.38Å; D2220-K2224 IonicContact OD1-NZ 3.36Å; D2220-K2224 PolarHBondContact OD1-NZ 3.27Å; D2220-K2224 WeakPolarHBondContact OD2-CE 3.39Å; D2220-K2224 IonicContact OD2-NZ 3.18Å; D2220-K2224 PolarHBondContact OD2-NZ 3.1Å; F2221-K2224 PolarHBondContact O-N 3.2Å; K2224-R2227 PolarHBondContact O-N 3.03Å; K2224-G2228 PolarHBondContact O-N 3.21Å
2225L91.1Very high86.7Confident0 Ų037.8 Ų37.80%018%0.179CC..Hα-helixtrans-64-44.4173-178.763.6000111.1F2181 L2212 F2221 L2222 L2223 R2227 G2228 L2229 L2245F2181-L2225 HydrophobicContact CD2-CD1 3.58Å; F2181-L2225 HydrophobicContact CE2-CD1 3.81Å; L2212-L2225 HydrophobicContact CD1-CD1 4.23Å; L2212-L2225 HydrophobicContact CD2-CB 4.36Å; F2221-L2225 HydrophobicContact CE1-CD2 3.9Å; F2221-L2225 HydrophobicContact CZ-CD2 4.02Å; F2221-L2225 VanDerWaalsContact O-CB 3.23Å; F2221-L2225 WeakPolarHBondContact O-CB 3.39Å; F2221-L2225 PolarHBondContact O-N 3.1Å; L2222-L2225 PolarHBondContact O-N 3.02Å; L2223-L2225 VanDerWaalsContact C-N 3.33Å; L2223-L2225 PolarHBondContact O-N 3.17Å; L2225-R2227 PolarHBondContact O-N 3.45Å; L2225-G2228 PolarHBondContact O-N 3.23Å; L2225-L2229 HydrophobicContact CD1-CD1 3.71Å; L2225-L2229 HydrophobicContact CD1-CG 4.05Å; L2225-L2229 HydrophobicContact CG-CD1 4.15Å; L2225-L2229 WeakPolarHBondContact O-CB 3.49Å; L2225-L2229 PolarHBondContact O-N 3.04Å; L2225-L2245 HydrophobicContact CD2-CD1 4.34Å; L2225-L2245 HydrophobicContact CG-CD1 4.33Å
2226C89.5Confident86.6Confident4.4 Ų4.445.9 Ų45.93%0.0321%0.214CC..Hα-helixtrans-59.7-47.4176.4-157.40000111.6L2222 L2223 G2228 G2230 T2242 L2245 F2246L2222-C2226 VanDerWaalsContact O-CB 3.27Å; L2222-C2226 WeakPolarHBondContact O-CB 3.32Å; L2222-C2226 PolarHBondContact O-N 2.95Å; L2223-C2226 WeakPolarHBondContact O-CB 3.32Å; L2223-C2226 PolarHBondContact O-N 3.24Å; C2226-G2228 PolarHBondContact O-N 3.23Å; C2226-G2230 VanDerWaalsContact O-CA 3.28Å; C2226-G2230 WeakPolarHBondContact O-CA 3.39Å; C2226-G2230 PolarHBondContact O-N 3.2Å; C2226-T2242 PolarHBondContact SG-OG1 3.27Å; C2226-L2245 HydrophobicContact CB-CD1 4.22Å; C2226-L2245 HydrophobicContact CB-CD2 4.12Å; C2226-F2246 HydrophobicContact CB-CE2 4.36Å
2227R88.1Confident86.7Confident19.6 Ų19.637.9 Ų37.97%0.07419%0.185CC..Hα-helixtrans-66.5-37.5177-69.9178.2179.4171.2-1.8112.5L2211 L2223 K2224 L2225 G2231 I2262 E2302 E2305L2211-R2227 HydrophobicContact CD1-CB 3.66Å; L2223-R2227 HydrophobicContact CD1-CG 4.46Å; L2223-R2227 WeakPolarHBondContact O-CG 3.39Å; L2223-R2227 PolarHBondContact O-N 3.08Å; K2224-R2227 PolarHBondContact O-N 3.03Å; L2225-R2227 PolarHBondContact O-N 3.45Å; R2227-G2231 VanDerWaalsContact O-CA 3.31Å; R2227-G2231 WeakPolarHBondContact O-CA 3.38Å; R2227-G2231 PolarHBondContact O-N 3.29Å; R2227-G2231 VanDerWaalsContact O-N 3.09Å; R2227-I2262 PolarHBondContact NH2-O 3.12Å; R2227-E2302 IonicContact NE-OE1 3.39Å; R2227-E2305 IonicContact CZ-OE1 3Å; R2227-E2305 IonicContact CZ-OE2 3.35Å; R2227-E2305 IonicContact NH1-OE1 2.74Å; R2227-E2305 PolarHBondContact NH1-OE1 3.16Å; R2227-E2305 IonicContact NH1-OE2 3.09Å; R2227-E2305 PolarHBondContact NH1-OE2 3.19Å; R2227-E2305 VanDerWaalsContact NH1-OE2 3.14Å; R2227-E2305 IonicContact NH2-OE1 2.75Å; R2227-E2305 IonicContact NH2-OE2 3.24Å; R2227-E2305 PolarHBondContact NH2-OE2 3.29Å
2228G88.4Confident86.6Confident3.6 Ų3.635.7 Ų35.74%0.03717%0.174CC..Hα-helixtrans-68.7-47.8-179.900000113N2207 G2208 K2224 L2225 C2226N2207-G2228 CarbonylContact C-O 3.54Å; N2207-G2228 VanDerWaalsContact C-O 3.28Å; N2207-G2228 WeakPolarHBondContact CB-O 3.36Å; N2207-G2228 PolarHBondContact ND2-O 3.13Å; N2207-G2228 CarbonylContact O-C 3.57Å; N2207-G2228 VanDerWaalsContact O-CA 3.3Å; N2207-G2228 WeakPolarHBondContact O-CA 3.32Å; G2208-G2228 PolarHBondContact N-O 3.44Å; K2224-G2228 PolarHBondContact O-N 3.21Å; L2225-G2228 PolarHBondContact O-N 3.23Å; C2226-G2228 PolarHBondContact O-N 3.23Å
2229L87.6Confident86.5Confident6.4 Ų6.435.3 Ų35.33%0.03417%0.173CC..Hα-helixtrans-78.7-40.7178.4-69.5177.9000112.2L2185 L2188 L2225 G2231 F2241L2185-L2229 HydrophobicContact CD2-CD1 4.44Å; L2185-L2229 HydrophobicContact CD2-CD2 3.77Å; L2188-L2229 HydrophobicContact CD2-CB 4.33Å; L2188-L2229 HydrophobicContact CD2-CD2 4.28Å; L2225-L2229 HydrophobicContact CD1-CD1 3.71Å; L2225-L2229 HydrophobicContact CD1-CG 4.05Å; L2225-L2229 HydrophobicContact CG-CD1 4.15Å; L2225-L2229 WeakPolarHBondContact O-CB 3.49Å; L2225-L2229 PolarHBondContact O-N 3.04Å; L2229-G2231 VanDerWaalsContact C-N 3.34Å; L2229-G2231 PolarHBondContact O-N 3.46Å; L2229-F2241 HydrophobicContact CB-CE1 3.93Å; L2229-F2241 HydrophobicContact CB-CZ 3.67Å; L2229-F2241 HydrophobicContact CD1-CZ 4.08Å; L2229-F2241 HydrophobicContact CG-CZ 4.49Å
2230G84.9Confident86.3Confident0 Ų035.4 Ų35.40%018%0.177CC..Hα-helixtrans-81.4-7.4-17700000115.1C2226 N2232 L2233C2226-G2230 VanDerWaalsContact O-CA 3.28Å; C2226-G2230 WeakPolarHBondContact O-CA 3.39Å; C2226-G2230 PolarHBondContact O-N 3.2Å; G2230-N2232 PolarHBondContact O-N 3.25Å; G2230-N2232 VanDerWaalsContact O-N 3.14Å; G2230-L2233 WeakPolarHBondContact O-CB 3.36Å; G2230-L2233 PolarHBondContact O-N 3.07Å; G2230-L2233 VanDerWaalsContact O-N 3.1Å
2231G81.8Confident86.3Confident54.6 Ų54.634.4 Ų34.456%0.56317%0.171SC*.THydrogen-bonded Turntrans-64.4-14.5-177.100000115.4R2227 L2229R2227-G2231 VanDerWaalsContact O-CA 3.31Å; R2227-G2231 WeakPolarHBondContact O-CA 3.38Å; R2227-G2231 PolarHBondContact O-N 3.29Å; R2227-G2231 VanDerWaalsContact O-N 3.09Å; L2229-G2231 VanDerWaalsContact C-N 3.34Å; L2229-G2231 PolarHBondContact O-N 3.46Å
2232N82.6Confident86.2Confident26.6 Ų26.634.5 Ų34.514%0.14217%0.172CC..THydrogen-bonded Turntrans-108.612.5176-165.546.8000112.7T2195 P2196 I2197 G2230T2195-N2232 WeakPolarHBondContact CB-ND2 3.33Å; T2195-N2232 WeakPolarHBondContact CG2-O 3.42Å; P2196-N2232 VanDerWaalsContact CD-O 3.32Å; P2196-N2232 WeakPolarHBondContact CD-O 3.4Å; I2197-N2232 PolarHBondContact N-OD1 3.35Å; I2197-N2232 PolarHBondContact O-ND2 3.11Å; G2230-N2232 PolarHBondContact O-N 3.25Å; G2230-N2232 VanDerWaalsContact O-N 3.14Å
2233L83.5Confident86.2Confident16.4 Ų16.436.4 Ų36.49%0.08618%0.184CC..SBendtrans-94.7150.1175.7-64.4178000110.6L2188 M2192 T2195 G2230 K2238 F2241L2188-L2233 HydrophobicContact CD1-CD1 3.79Å; L2188-L2233 HydrophobicContact CD1-CD2 3.84Å; L2188-L2233 HydrophobicContact CD1-CG 3.98Å; M2192-L2233 HydrophobicContact CG-CD2 3.89Å; T2195-L2233 HydrophobicContact CG2-CD2 4.42Å; G2230-L2233 WeakPolarHBondContact O-CB 3.36Å; G2230-L2233 PolarHBondContact O-N 3.07Å; G2230-L2233 VanDerWaalsContact O-N 3.1Å; L2233-K2238 HydrophobicContact CB-CB 4.07Å; L2233-F2241 HydrophobicContact CD1-CB 3.67Å; L2233-F2241 HydrophobicContact CD1-CD1 4.18Å; L2233-F2241 HydrophobicContact CD1-CD2 4.43Å; L2233-F2241 HydrophobicContact CD1-CG 3.85Å
2234E79Confident86.1Confident118 Ų11838.7 Ų38.755%0.55119%0.194SC*.  trans-64.9157164.9-64.3-170171.900110.9K2236 S2237 K2238E2234-K2236 VanDerWaalsContact C-N 3.34Å; E2234-K2236 PolarHBondContact O-N 3.18Å; E2234-S2237 CarbonylContact O-C 3.52Å; E2234-S2237 PolarHBondContact O-N 3.28Å; E2234-S2237 VanDerWaalsContact O-N 3.13Å; E2234-K2238 VanDerWaalsContact O-CB 3.32Å; E2234-K2238 WeakPolarHBondContact O-CB 3.34Å; E2234-K2238 PolarHBondContact O-N 3.21Å
2235R77.4Confident86.1Confident89.4 Ų89.437.5 Ų37.534%0.33719%0.188SC..Hα-helixtrans-53-46.3-171.9-174.8169.9-178.4152.1-2113.7K2238 E2239 T2299 S2332 E2335R2235-K2238 WeakPolarHBondContact O-CB 3.39Å; R2235-K2238 PolarHBondContact O-N 2.96Å; R2235-E2239 WeakPolarHBondContact CG-OE1 3.36Å; R2235-E2239 IonicContact NE-OE1 3.26Å; R2235-E2239 PolarHBondContact NE-OE1 3.06Å; R2235-E2239 VanDerWaalsContact NE-OE1 3.14Å; R2235-E2239 VanDerWaalsContact O-CG 3.29Å; R2235-E2239 WeakPolarHBondContact O-CG 3.39Å; R2235-E2239 PolarHBondContact O-N 3.12Å; R2235-T2299 PolarHBondContact NH1-OG1 2.84Å; R2235-S2332 PolarHBondContact NH1-OG 3.09Å; R2235-S2332 PolarHBondContact NH2-OG 3.17Å; R2235-E2335 IonicContact CZ-OE1 2.76Å; R2235-E2335 IonicContact CZ-OE2 3.4Å; R2235-E2335 IonicContact NH1-OE1 3Å; R2235-E2335 PolarHBondContact NH1-OE1 3.32Å; R2235-E2335 IonicContact NH1-OE2 3.4Å; R2235-E2335 PolarHBondContact NH1-OE2 3.11Å; R2235-E2335 IonicContact NH2-OE1 3.88Å; R2235-E2335 PolarHBondContact NH2-OE1 2.98Å; R2235-E2335 IonicContact NH2-OE2 3.35Å
2236K81.4Confident86.1Confident171.4 Ų171.437.6 Ų37.675%0.74519%0.189SC*.Hα-helixtrans-63.5-47.1179-67.6-176.6178.8177.90112.2E2234 K2238 E2239 E2240E2234-K2236 VanDerWaalsContact C-N 3.34Å; E2234-K2236 PolarHBondContact O-N 3.18Å; K2236-K2238 VanDerWaalsContact C-N 3.28Å; K2236-K2238 PolarHBondContact O-N 3.27Å; K2236-E2239 PolarHBondContact O-N 3.31Å; K2236-E2240 PolarHBondContact O-N 3.19Å
2237S86.1Confident86Confident12.4 Ų12.444 Ų449%0.08722%0.218CC..Hα-helixtrans-64.5-33.8175.6-63.70000112V2191 E2234 F2241V2191-S2237 WeakPolarHBondContact CG1-O 3.38Å; V2191-S2237 PolarHBondContact O-OG 3.12Å; E2234-S2237 CarbonylContact O-C 3.52Å; E2234-S2237 PolarHBondContact O-N 3.28Å; E2234-S2237 VanDerWaalsContact O-N 3.13Å; S2237-F2241 WeakPolarHBondContact O-CB 3.34Å; S2237-F2241 PolarHBondContact O-N 3.18Å
2238K86.1Confident86Confident30.6 Ų30.646.4 Ų46.413%0.13323%0.231CC..Hα-helixtrans-68-41.7175.5-170.1-175.9178.3-173.10111.6L2233 E2234 R2235 K2236 F2241 T2242 V2260 E2302L2233-K2238 HydrophobicContact CB-CB 4.07Å; E2234-K2238 VanDerWaalsContact O-CB 3.32Å; E2234-K2238 WeakPolarHBondContact O-CB 3.34Å; E2234-K2238 PolarHBondContact O-N 3.21Å; R2235-K2238 WeakPolarHBondContact O-CB 3.39Å; R2235-K2238 PolarHBondContact O-N 2.96Å; K2236-K2238 VanDerWaalsContact C-N 3.28Å; K2236-K2238 PolarHBondContact O-N 3.27Å; K2238-F2241 PolarHBondContact O-N 3.04Å; K2238-T2242 WeakPolarHBondContact O-CB 3.39Å; K2238-T2242 PolarHBondContact O-N 3.21Å; K2238-T2242 PolarHBondContact O-OG1 3.05Å; K2238-T2242 VanDerWaalsContact O-OG1 3.04Å; K2238-V2260 HydrophobicContact CB-CG1 4.4Å; K2238-V2260 HydrophobicContact CD-CG1 4.18Å; K2238-V2260 HydrophobicContact CD-CG2 4.41Å; K2238-V2260 HydrophobicContact CG-CG1 3.92Å; K2238-V2260 HydrophobicContact CG-CG2 4.32Å; K2238-E2302 WeakPolarHBondContact CE-OE1 3.29Å; K2238-E2302 VanDerWaalsContact NZ-CD 3.3Å; K2238-E2302 IonicContact NZ-OE1 3.45Å; K2238-E2302 PolarHBondContact NZ-OE1 3.18Å; K2238-E2302 IonicContact NZ-OE2 3.28Å; K2238-E2302 PolarHBondContact NZ-OE2 2.96Å
2239E86.5Confident85.9Confident50.8 Ų50.846.5 Ų46.524%0.23723%0.232CC..Hα-helixtrans-61.6-48.4174.4-73.3163.3-175.900110.8R2235 K2236 F2241 T2242 V2243 P2259 V2260R2235-E2239 WeakPolarHBondContact CG-OE1 3.36Å; R2235-E2239 IonicContact NE-OE1 3.26Å; R2235-E2239 PolarHBondContact NE-OE1 3.06Å; R2235-E2239 VanDerWaalsContact NE-OE1 3.14Å; R2235-E2239 VanDerWaalsContact O-CG 3.29Å; R2235-E2239 WeakPolarHBondContact O-CG 3.39Å; R2235-E2239 PolarHBondContact O-N 3.12Å; K2236-E2239 PolarHBondContact O-N 3.31Å; E2239-F2241 PolarHBondContact O-N 3.16Å; E2239-T2242 PolarHBondContact O-N 3.05Å; E2239-V2243 WeakPolarHBondContact O-CG2 3.35Å; E2239-V2243 PolarHBondContact O-N 3.12Å; E2239-V2243 VanDerWaalsContact O-N 3.09Å; E2239-P2259 HydrophobicContact CB-CG 3.98Å; E2239-P2259 HydrophobicContact CG-CG 3.98Å; E2239-V2260 HydrophobicContact CB-CG1 4.42Å; E2239-V2260 HydrophobicContact CB-CG2 4.47Å; E2239-V2260 HydrophobicContact CG-CB 4.46Å; E2239-V2260 HydrophobicContact CG-CG1 3.71Å; E2239-V2260 HydrophobicContact CG-CG2 3.82Å
2240E87.8Confident85.8Confident85 Ų8549.4 Ų49.440%0.39726%0.264SS..Hα-helixtrans-61.1-45175.8-173.5-177.1169.100112.3V2191 K2236 T2242 V2243 K2244V2191-E2240 HydrophobicContact CG1-CB 4.03Å; V2191-E2240 HydrophobicContact CG1-CG 4.16Å; V2191-E2240 HydrophobicContact CG2-CG 4.16Å; K2236-E2240 PolarHBondContact O-N 3.19Å; E2240-T2242 VanDerWaalsContact C-N 3.33Å; E2240-T2242 PolarHBondContact O-N 3.11Å; E2240-V2243 PolarHBondContact O-N 3.19Å; E2240-K2244 HydrophobicContact CG-CD 4.35Å; E2240-K2244 WeakPolarHBondContact O-CG 3.37Å; E2240-K2244 PolarHBondContact O-N 3.14Å; E2240-K2244 VanDerWaalsContact OE1-CE 3.26Å; E2240-K2244 WeakPolarHBondContact OE1-CE 3.3Å; E2240-K2244 IonicContact OE1-NZ 2.95Å; E2240-K2244 PolarHBondContact OE1-NZ 3.17Å
2241F89.5Confident85.9Confident0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-59.7-44176.7177.3-107.1000111.9S2184 V2187 L2188 V2191 L2229 L2233 S2237 K2238 E2239 K2244 L2245S2184-F2241 WeakPolarHBondContact O-CE2 3.37Å; V2187-F2241 HydrophobicContact CB-CD2 4.46Å; V2187-F2241 HydrophobicContact CB-CE2 4.43Å; V2187-F2241 HydrophobicContact CG1-CD2 3.93Å; V2187-F2241 HydrophobicContact CG1-CE2 4.27Å; L2188-F2241 HydrophobicContact CB-CD2 4.33Å; L2188-F2241 HydrophobicContact CB-CE2 3.95Å; L2188-F2241 HydrophobicContact CB-CZ 4.48Å; L2188-F2241 HydrophobicContact CD1-CD2 4.46Å; L2188-F2241 HydrophobicContact CD1-CE2 4.38Å; V2191-F2241 HydrophobicContact CG1-CB 4.42Å; L2229-F2241 HydrophobicContact CB-CE1 3.93Å; L2229-F2241 HydrophobicContact CB-CZ 3.67Å; L2229-F2241 HydrophobicContact CD1-CZ 4.08Å; L2229-F2241 HydrophobicContact CG-CZ 4.49Å; L2233-F2241 HydrophobicContact CD1-CB 3.67Å; L2233-F2241 HydrophobicContact CD1-CD1 4.18Å; L2233-F2241 HydrophobicContact CD1-CD2 4.43Å; L2233-F2241 HydrophobicContact CD1-CG 3.85Å; S2237-F2241 WeakPolarHBondContact O-CB 3.34Å; S2237-F2241 PolarHBondContact O-N 3.18Å; K2238-F2241 PolarHBondContact O-N 3.04Å; E2239-F2241 PolarHBondContact O-N 3.16Å; F2241-K2244 PolarHBondContact O-N 3.23Å; F2241-L2245 HydrophobicContact CE1-CD1 4Å; F2241-L2245 HydrophobicContact CE1-CD2 4.27Å; F2241-L2245 HydrophobicContact CE2-CD1 4.46Å; F2241-L2245 HydrophobicContact CZ-CD1 3.74Å; F2241-L2245 HydrophobicContact CZ-CD2 4.49Å; F2241-L2245 VanDerWaalsContact O-CB 3.27Å; F2241-L2245 WeakPolarHBondContact O-CB 3.24Å; F2241-L2245 PolarHBondContact O-N 3.18Å
2242T89.1Confident86Confident3.4 Ų3.458.1 Ų58.12%0.02128%0.281CS..Hα-helixtrans-62.4-46.6179.1-57.40000110.7C2226 K2238 E2239 E2240 K2244 L2245 F2246 P2253 P2259 I2262C2226-T2242 PolarHBondContact SG-OG1 3.27Å; K2238-T2242 WeakPolarHBondContact O-CB 3.39Å; K2238-T2242 PolarHBondContact O-N 3.21Å; K2238-T2242 PolarHBondContact O-OG1 3.05Å; K2238-T2242 VanDerWaalsContact O-OG1 3.04Å; E2239-T2242 PolarHBondContact O-N 3.05Å; E2240-T2242 VanDerWaalsContact C-N 3.33Å; E2240-T2242 PolarHBondContact O-N 3.11Å; T2242-K2244 PolarHBondContact O-N 2.92Å; T2242-L2245 PolarHBondContact O-N 3.21Å; T2242-F2246 HydrophobicContact CG2-CD2 3.98Å; T2242-F2246 HydrophobicContact CG2-CE2 3.95Å; T2242-F2246 WeakPolarHBondContact O-CB 3.19Å; T2242-F2246 VanDerWaalsContact O-CD2 3.26Å; T2242-F2246 WeakPolarHBondContact O-CD2 3.39Å; T2242-F2246 PolarHBondContact O-N 3.17Å; T2242-F2246 VanDerWaalsContact O-N 3.09Å; T2242-P2253 HydrophobicContact CG2-CG 4.45Å; T2242-P2259 HydrophobicContact CG2-CB 4.3Å; T2242-P2259 WeakPolarHBondContact CG2-O 3.32Å; T2242-I2262 HydrophobicContact CG2-CD1 4.5Å
2243V89.8Confident85.9Confident39.8 Ų39.857.4 Ų57.424%0.24128%0.278CS..Hα-helixtrans-60.6-52178.6173.60000111.1E2239 E2240 L2245 F2246 E2247 P2259E2239-V2243 WeakPolarHBondContact O-CG2 3.35Å; E2239-V2243 PolarHBondContact O-N 3.12Å; E2239-V2243 VanDerWaalsContact O-N 3.09Å; E2240-V2243 PolarHBondContact O-N 3.19Å; V2243-L2245 VanDerWaalsContact C-N 3.33Å; V2243-L2245 PolarHBondContact O-N 3.13Å; V2243-F2246 PolarHBondContact O-N 3.1Å; V2243-E2247 HydrophobicContact CG1-CG 4.38Å; V2243-E2247 WeakPolarHBondContact O-CB 3.34Å; V2243-E2247 WeakPolarHBondContact O-CG 3.3Å; V2243-E2247 PolarHBondContact O-N 3.12Å; V2243-P2259 HydrophobicContact CG2-CB 3.8Å; V2243-P2259 HydrophobicContact CG2-CG 3.82Å; V2243-P2259 VanDerWaalsContact CG2-CG 3.46Å
2244K88.9Confident85.8Confident54.4 Ų54.459.8 Ų59.824%0.23729%0.294CS..Hα-helixtrans-60.2-40.5-179.7-73.3-178.3179.4173.40112.6V2187 E2190 V2191 E2240 F2241 T2242 M2248V2187-K2244 HydrophobicContact CG1-CB 3.77Å; V2187-K2244 HydrophobicContact CG1-CD 3.88Å; V2187-K2244 HydrophobicContact CG1-CG 4.38Å; E2190-K2244 IonicContact OE1-NZ 3.85Å; E2190-K2244 PolarHBondContact OE1-NZ 3.14Å; V2191-K2244 HydrophobicContact CG2-CD 4.06Å; E2240-K2244 HydrophobicContact CG-CD 4.35Å; E2240-K2244 WeakPolarHBondContact O-CG 3.37Å; E2240-K2244 PolarHBondContact O-N 3.14Å; E2240-K2244 VanDerWaalsContact OE1-CE 3.26Å; E2240-K2244 WeakPolarHBondContact OE1-CE 3.3Å; E2240-K2244 IonicContact OE1-NZ 2.95Å; E2240-K2244 PolarHBondContact OE1-NZ 3.17Å; F2241-K2244 PolarHBondContact O-N 3.23Å; T2242-K2244 PolarHBondContact O-N 2.92Å; K2244-M2248 VanDerWaalsContact O-CB 3.31Å; K2244-M2248 WeakPolarHBondContact O-CB 3.34Å; K2244-M2248 PolarHBondContact O-N 3.2Å; K2244-M2248 VanDerWaalsContact O-N 3.07Å
2245L89.3Confident85.8Confident0.8 Ų0.856.6 Ų56.60%0.00428%0.281CS..Hα-helixtrans-65.4-43.3178.2-174.5139.1000111.8S2184 L2222 L2225 C2226 F2241 T2242 V2243 M2248 A2249S2184-L2245 VanDerWaalsContact OG-CD1 3.3Å; S2184-L2245 WeakPolarHBondContact OG-CD1 3.44Å; L2222-L2245 HydrophobicContact CB-CD2 4.35Å; L2222-L2245 HydrophobicContact CD2-CD2 4.04Å; L2225-L2245 HydrophobicContact CD2-CD1 4.34Å; L2225-L2245 HydrophobicContact CG-CD1 4.33Å; C2226-L2245 HydrophobicContact CB-CD1 4.22Å; C2226-L2245 HydrophobicContact CB-CD2 4.12Å; F2241-L2245 HydrophobicContact CE1-CD1 4Å; F2241-L2245 HydrophobicContact CE1-CD2 4.27Å; F2241-L2245 HydrophobicContact CE2-CD1 4.46Å; F2241-L2245 HydrophobicContact CZ-CD1 3.74Å; F2241-L2245 HydrophobicContact CZ-CD2 4.49Å; F2241-L2245 VanDerWaalsContact O-CB 3.27Å; F2241-L2245 WeakPolarHBondContact O-CB 3.24Å; F2241-L2245 PolarHBondContact O-N 3.18Å; T2242-L2245 PolarHBondContact O-N 3.21Å; V2243-L2245 VanDerWaalsContact C-N 3.33Å; V2243-L2245 PolarHBondContact O-N 3.13Å; L2245-M2248 HydrophobicContact CD1-CE 3.85Å; L2245-M2248 HydrophobicContact CG-CE 4.41Å; L2245-M2248 PolarHBondContact O-N 3.24Å; L2245-A2249 WeakPolarHBondContact O-CB 3.39Å; L2245-A2249 PolarHBondContact O-N 3.03Å; L2245-A2249 VanDerWaalsContact O-N 3.09Å
2246F89.7Confident85.8Confident1 Ų158.1 Ų58.10%0.00430%0.295CS..Hα-helixtrans-67.9-42.7179.1-87-115.9000111.7C2226 T2242 V2243 M2248 A2249 G2250 E2251 P2253 I2262 Y2271C2226-F2246 HydrophobicContact CB-CE2 4.36Å; T2242-F2246 HydrophobicContact CG2-CD2 3.98Å; T2242-F2246 HydrophobicContact CG2-CE2 3.95Å; T2242-F2246 WeakPolarHBondContact O-CB 3.19Å; T2242-F2246 VanDerWaalsContact O-CD2 3.26Å; T2242-F2246 WeakPolarHBondContact O-CD2 3.39Å; T2242-F2246 PolarHBondContact O-N 3.17Å; T2242-F2246 VanDerWaalsContact O-N 3.09Å; V2243-F2246 PolarHBondContact O-N 3.1Å; F2246-M2248 VanDerWaalsContact C-N 3.33Å; F2246-M2248 PolarHBondContact O-N 3.25Å; F2246-A2249 CarbonylContact O-C 3.55Å; F2246-A2249 PolarHBondContact O-N 3.2Å; F2246-A2249 VanDerWaalsContact O-N 3.12Å; F2246-G2250 PolarHBondContact O-N 3.16Å; F2246-G2250 VanDerWaalsContact O-N 3.11Å; F2246-E2251 CarbonylContact C-O 3.53Å; F2246-E2251 VanDerWaalsContact C-O 3.29Å; F2246-E2251 HydrophobicContact CB-CB 4.44Å; F2246-E2251 HydrophobicContact CD1-CB 4Å; F2246-E2251 HydrophobicContact CE1-CB 4.48Å; F2246-E2251 HydrophobicContact CG-CB 4.43Å; F2246-E2251 PolarHBondContact O-N 3.19Å; F2246-E2251 VanDerWaalsContact O-N 3.08Å; F2246-E2251 VanDerWaalsContact O-O 3.08Å; F2246-P2253 HydrophobicContact CB-CG 4.47Å; F2246-P2253 HydrophobicContact CD1-CG 4.09Å; F2246-P2253 HydrophobicContact CG-CG 4.31Å; F2246-I2262 HydrophobicContact CE1-CD1 3.74Å; F2246-I2262 VanDerWaalsContact CE1-CD1 3.49Å; F2246-I2262 HydrophobicContact CE2-CD1 4.3Å; F2246-I2262 HydrophobicContact CZ-CD1 3.7Å; F2246-Y2271 HydrophobicContact CD1-CE2 4.27Å; F2246-Y2271 HydrophobicContact CE1-CD1 4.49Å; F2246-Y2271 AromaticContact CE1-CD2 3.87Å; F2246-Y2271 HydrophobicContact CE1-CD2 4.15Å; F2246-Y2271 HydrophobicContact CE1-CE1 4.15Å; F2246-Y2271 AromaticContact CE1-CE2 3.65Å; F2246-Y2271 HydrophobicContact CE1-CE2 3.65Å; F2246-Y2271 VanDerWaalsContact CE1-CE2 3.47Å; F2246-Y2271 HydrophobicContact CE1-CG 4.43Å; F2246-Y2271 AromaticContact CE1-CZ 3.62Å; F2246-Y2271 HydrophobicContact CZ-CE1 4.23Å; F2246-Y2271 HydrophobicContact CZ-CE2 4.27Å; F2246-Y2271 AromaticContact CZ-CZ 3.84Å
2247E88.9Confident85.5Confident138.8 Ų138.854.5 Ų54.565%0.64929%0.291SS*.Hα-helixtrans-57.6-46.1173.9-74.7-179.4169.200111.8V2243 A2249 G2250V2243-E2247 HydrophobicContact CG1-CG 4.38Å; V2243-E2247 WeakPolarHBondContact O-CB 3.34Å; V2243-E2247 WeakPolarHBondContact O-CG 3.3Å; V2243-E2247 PolarHBondContact O-N 3.12Å; E2247-A2249 VanDerWaalsContact C-N 3.27Å; E2247-A2249 PolarHBondContact O-N 3.18Å; E2247-G2250 PolarHBondContact O-N 3.06Å; E2247-G2250 VanDerWaalsContact O-N 3.14Å
2248M86.9Confident85Confident70.6 Ų70.655.7 Ų55.735%0.34830%0.299SS..Hα-helixtrans-61.1-34.4176-178.2-175.272.700112.6Y2180 S2183 K2244 L2245 F2246 G2250Y2180-M2248 HydrophobicContact CD1-CE 4.33Å; S2183-M2248 WeakPolarHBondContact CB-SD 3.38Å; K2244-M2248 VanDerWaalsContact O-CB 3.31Å; K2244-M2248 WeakPolarHBondContact O-CB 3.34Å; K2244-M2248 PolarHBondContact O-N 3.2Å; K2244-M2248 VanDerWaalsContact O-N 3.07Å; L2245-M2248 HydrophobicContact CD1-CE 3.85Å; L2245-M2248 HydrophobicContact CG-CE 4.41Å; L2245-M2248 PolarHBondContact O-N 3.24Å; F2246-M2248 VanDerWaalsContact C-N 3.33Å; F2246-M2248 PolarHBondContact O-N 3.25Å; M2248-G2250 VanDerWaalsContact C-N 3.32Å; M2248-G2250 PolarHBondContact O-N 3.3Å
2249A86.9Confident84.7Confident6.8 Ų6.854.6 Ų54.66%0.05630%0.295CS..Hα-helixtrans-84.7-3.717900000114.5Y2180 K2218 L2222 L2245 F2246 E2247 E2251Y2180-A2249 HydrophobicContact CD1-CB 4.32Å; Y2180-A2249 HydrophobicContact CE1-CB 3.98Å; K2218-A2249 PolarHBondContact NZ-O 3.18Å; K2218-A2249 VanDerWaalsContact NZ-O 3.17Å; L2222-A2249 HydrophobicContact CD1-CB 3.53Å; L2222-A2249 HydrophobicContact CD2-CB 3.68Å; L2222-A2249 HydrophobicContact CG-CB 4.26Å; L2245-A2249 WeakPolarHBondContact O-CB 3.39Å; L2245-A2249 PolarHBondContact O-N 3.03Å; L2245-A2249 VanDerWaalsContact O-N 3.09Å; F2246-A2249 CarbonylContact O-C 3.55Å; F2246-A2249 PolarHBondContact O-N 3.2Å; F2246-A2249 VanDerWaalsContact O-N 3.12Å; E2247-A2249 VanDerWaalsContact C-N 3.27Å; E2247-A2249 PolarHBondContact O-N 3.18Å; A2249-E2251 VanDerWaalsContact C-N 3.28Å; A2249-E2251 PolarHBondContact O-N 3.34Å
2250G86.2Confident84.4Confident67.6 Ų67.652.9 Ų52.970%0.69729%0.288SS*.THydrogen-bonded Turntrans71.118.4-175.800000114.2F2246 E2247 M2248F2246-G2250 PolarHBondContact O-N 3.16Å; F2246-G2250 VanDerWaalsContact O-N 3.11Å; E2247-G2250 PolarHBondContact O-N 3.06Å; E2247-G2250 VanDerWaalsContact O-N 3.14Å; M2248-G2250 VanDerWaalsContact C-N 3.32Å; M2248-G2250 PolarHBondContact O-N 3.3Å
2251E86.5Confident84.1Confident32 Ų3249.5 Ų49.515%0.1527%0.273CS..  trans-105.7165.4176-60.5-81.9165.600110.2K2218 R2219 L2222 F2246 A2249 Y2271K2218-E2251 WeakPolarHBondContact CE-OE1 3.27Å; K2218-E2251 IonicContact NZ-OE1 3.54Å; K2218-E2251 PolarHBondContact NZ-OE1 3.22Å; R2219-E2251 WeakPolarHBondContact CG-OE2 3.44Å; R2219-E2251 IonicContact CZ-OE2 3.06Å; R2219-E2251 IonicContact NE-OE2 3.84Å; R2219-E2251 PolarHBondContact NE-OE2 3.17Å; R2219-E2251 VanDerWaalsContact NE-OE2 3.17Å; R2219-E2251 IonicContact NH2-OE2 3.44Å; R2219-E2251 PolarHBondContact NH2-OE2 3.43Å; L2222-E2251 HydrophobicContact CD1-CB 4.47Å; L2222-E2251 HydrophobicContact CD1-CG 3.84Å; L2222-E2251 VanDerWaalsContact CD1-CG 3.49Å; F2246-E2251 CarbonylContact C-O 3.53Å; F2246-E2251 VanDerWaalsContact C-O 3.29Å; F2246-E2251 HydrophobicContact CB-CB 4.44Å; F2246-E2251 HydrophobicContact CD1-CB 4Å; F2246-E2251 HydrophobicContact CE1-CB 4.48Å; F2246-E2251 HydrophobicContact CG-CB 4.43Å; F2246-E2251 PolarHBondContact O-N 3.19Å; F2246-E2251 VanDerWaalsContact O-N 3.08Å; F2246-E2251 VanDerWaalsContact O-O 3.08Å; A2249-E2251 VanDerWaalsContact C-N 3.28Å; A2249-E2251 PolarHBondContact O-N 3.34Å; E2251-Y2271 HydrophobicContact CB-CE2 4.13Å; E2251-Y2271 HydrophobicContact CG-CE2 4.27Å; E2251-Y2271 WeakPolarHBondContact OE2-CE2 3.35Å
2252R82.9Confident83.9Confident204.4 Ų204.449.7 Ų49.777%0.77127%0.274SS*.  trans-131.1137.3174.5-83.8-177176.4177.5-2110.5L2256R2252-L2256 HydrophobicContact CG-CD2 4.04Å
2253P81.8Confident83.8Confident12.8 Ų12.850.4 Ų50.48%0.08328%0.278CS..  trans-63.2150.5171.510-8.9000110.6T2242 F2246 D2255 L2256 P2259 I2262T2242-P2253 HydrophobicContact CG2-CG 4.45Å; F2246-P2253 HydrophobicContact CB-CG 4.47Å; F2246-P2253 HydrophobicContact CD1-CG 4.09Å; F2246-P2253 HydrophobicContact CG-CG 4.31Å; P2253-D2255 VanDerWaalsContact C-N 3.28Å; P2253-D2255 PolarHBondContact O-N 3.09Å; P2253-L2256 HydrophobicContact CG-CD2 4.18Å; P2253-P2259 HydrophobicContact CB-CB 4.3Å; P2253-P2259 HydrophobicContact CG-CB 4.13Å; P2253-I2262 HydrophobicContact CB-CD1 3.87Å; P2253-I2262 VanDerWaalsContact CB-CD1 3.46Å; P2253-I2262 HydrophobicContact CB-CG2 4.47Å
2254P81.3Confident83.6Confident65.2 Ų65.250.1 Ų50.142%0.42327%0.273SS..SBendtrans-63.7-33.6-179.96.6-7.2000112.9I2262 Y2271 T2273P2254-I2262 HydrophobicContact CG-CG1 4.28Å; P2254-I2262 HydrophobicContact CG-CG2 4.42Å; P2254-Y2271 VanDerWaalsContact CG-O 3.27Å; P2254-Y2271 WeakPolarHBondContact CG-O 3.32Å; P2254-T2273 HydrophobicContact CB-CG2 4.08Å; P2254-T2273 HydrophobicContact CG-CG2 3.81Å
2255D78.1Confident83.5Confident51 Ų5149.2 Ų49.227%0.27327%0.271SS..  trans-125.4118.6175.9-178.78.2000110P2253 S2257 C2258 P2259 T2273P2253-D2255 VanDerWaalsContact C-N 3.28Å; P2253-D2255 PolarHBondContact O-N 3.09Å; D2255-S2257 VanDerWaalsContact C-N 3.33Å; D2255-S2257 VanDerWaalsContact CG-OG 3.23Å; D2255-S2257 WeakPolarHBondContact OD1-CB 3.38Å; D2255-S2257 PolarHBondContact OD1-N 3.35Å; D2255-S2257 PolarHBondContact OD1-OG 3.2Å; D2255-S2257 PolarHBondContact OD2-OG 3.06Å; D2255-S2257 VanDerWaalsContact OD2-OG 3.04Å; D2255-C2258 CarbonylContact O-C 3.52Å; D2255-P2259 WeakPolarHBondContact O-CA 3.13Å; D2255-T2273 HydrophobicContact CB-CG2 4.27Å
2256L77.5Confident83.2Confident122 Ų12252.9 Ų52.964%0.63930%0.301SS*.SBendtrans-76.8-20.3177.4-73170.4000112.7R2252 P2253 C2258R2252-L2256 HydrophobicContact CG-CD2 4.04Å; P2253-L2256 HydrophobicContact CG-CD2 4.18Å; L2256-C2258 VanDerWaalsContact C-N 3.29Å
2257S75.2Confident82.9Confident94.2 Ų94.262 Ų6266%0.65934%0.341SS*.SBendtrans-76.4-30178.875.40000112.2D2255D2255-S2257 VanDerWaalsContact C-N 3.33Å; D2255-S2257 VanDerWaalsContact CG-OG 3.23Å; D2255-S2257 WeakPolarHBondContact OD1-CB 3.38Å; D2255-S2257 PolarHBondContact OD1-N 3.35Å; D2255-S2257 PolarHBondContact OD1-OG 3.2Å; D2255-S2257 PolarHBondContact OD2-OG 3.06Å; D2255-S2257 VanDerWaalsContact OD2-OG 3.04Å
2258C75.7Confident82.7Confident38 Ų3861.2 Ų61.226%0.25734%0.341SS..SBendtrans-133.672.5177.5-104.40000110.7D2255 L2256 V2260 N2261D2255-C2258 CarbonylContact O-C 3.52Å; L2256-C2258 VanDerWaalsContact C-N 3.29Å; C2258-V2260 PolarHBondContact O-N 3.16Å; C2258-V2260 VanDerWaalsContact O-N 3.08Å; C2258-N2261 HydrophobicContact CB-CB 4.07Å; C2258-N2261 WeakPolarHBondContact O-CB 3.36Å; C2258-N2261 PolarHBondContact O-N 3.05Å
2259P79.4Confident82.7Confident7.2 Ų7.260.1 Ų60.15%0.04734%0.337CS..THydrogen-bonded Turntrans-63.3-18.9-171.417.1-23.5000114.1E2239 T2242 V2243 P2253 D2255 I2262E2239-P2259 HydrophobicContact CB-CG 3.98Å; E2239-P2259 HydrophobicContact CG-CG 3.98Å; T2242-P2259 HydrophobicContact CG2-CB 4.3Å; T2242-P2259 WeakPolarHBondContact CG2-O 3.32Å; V2243-P2259 HydrophobicContact CG2-CB 3.8Å; V2243-P2259 HydrophobicContact CG2-CG 3.82Å; V2243-P2259 VanDerWaalsContact CG2-CG 3.46Å; P2253-P2259 HydrophobicContact CB-CB 4.3Å; P2253-P2259 HydrophobicContact CG-CB 4.13Å; D2255-P2259 WeakPolarHBondContact O-CA 3.13Å; P2259-I2262 WeakPolarHBondContact O-CD1 3.26Å; P2259-I2262 WeakPolarHBondContact O-CG1 3.46Å; P2259-I2262 WeakPolarHBondContact O-CG2 3.46Å
2260V80.8Confident82.8Confident16.2 Ų16.261.2 Ų61.210%0.09835%0.345CS..THydrogen-bonded Turntrans-82.9-16.8177.1-104.30000113K2238 E2239 C2258 I2262 E2302K2238-V2260 HydrophobicContact CB-CG1 4.4Å; K2238-V2260 HydrophobicContact CD-CG1 4.18Å; K2238-V2260 HydrophobicContact CD-CG2 4.41Å; K2238-V2260 HydrophobicContact CG-CG1 3.92Å; K2238-V2260 HydrophobicContact CG-CG2 4.32Å; E2239-V2260 HydrophobicContact CB-CG1 4.42Å; E2239-V2260 HydrophobicContact CB-CG2 4.47Å; E2239-V2260 HydrophobicContact CG-CB 4.46Å; E2239-V2260 HydrophobicContact CG-CG1 3.71Å; E2239-V2260 HydrophobicContact CG-CG2 3.82Å; C2258-V2260 PolarHBondContact O-N 3.16Å; C2258-V2260 VanDerWaalsContact O-N 3.08Å; V2260-I2262 PolarHBondContact O-N 3.02Å; V2260-E2302 WeakPolarHBondContact CG1-OE2 3.27Å
2261N81.8Confident82.8Confident14 Ų1459.2 Ų59.28%0.07532%0.317CS..  trans-79.461.8179.2-159.76.8000111.4C2258 T2273 F2274 D2275 V2298C2258-N2261 HydrophobicContact CB-CB 4.07Å; C2258-N2261 WeakPolarHBondContact O-CB 3.36Å; C2258-N2261 PolarHBondContact O-N 3.05Å; N2261-T2273 WeakPolarHBondContact O-CA 3.33Å; N2261-F2274 PolarHBondContact O-N 2.8Å; N2261-F2274 VanDerWaalsContact O-N 3.09Å; N2261-F2274 VanDerWaalsContact OD1-CB 3.24Å; N2261-F2274 WeakPolarHBondContact OD1-CB 3.4Å; N2261-F2274 VanDerWaalsContact OD1-CD2 3.28Å; N2261-F2274 WeakPolarHBondContact OD1-CD2 3.39Å; N2261-F2274 PolarHBondContact OD1-N 3.12Å; N2261-D2275 PolarHBondContact ND2-OD1 3.4Å; N2261-D2275 PolarHBondContact ND2-OD2 3.16Å; N2261-V2298 HydrophobicContact CB-CG1 3.83Å; N2261-V2298 WeakPolarHBondContact OD1-CG1 3.41Å
2262I85.8Confident82.8Confident3.4 Ų3.460.8 Ų60.82%0.01733%0.326CS..  trans-131.3133.3-174.6-102.6174.7000110.5L2223 R2227 T2242 F2246 P2253 P2254 P2259 V2260 Y2271 I2272 F2274L2223-I2262 HydrophobicContact CD1-CB 4.19Å; L2223-I2262 HydrophobicContact CD1-CD1 3.84Å; L2223-I2262 HydrophobicContact CD1-CG1 4.15Å; L2223-I2262 HydrophobicContact CD1-CG2 3.81Å; R2227-I2262 PolarHBondContact NH2-O 3.12Å; T2242-I2262 HydrophobicContact CG2-CD1 4.5Å; F2246-I2262 HydrophobicContact CE1-CD1 3.74Å; F2246-I2262 VanDerWaalsContact CE1-CD1 3.49Å; F2246-I2262 HydrophobicContact CE2-CD1 4.3Å; F2246-I2262 HydrophobicContact CZ-CD1 3.7Å; P2253-I2262 HydrophobicContact CB-CD1 3.87Å; P2253-I2262 VanDerWaalsContact CB-CD1 3.46Å; P2253-I2262 HydrophobicContact CB-CG2 4.47Å; P2254-I2262 HydrophobicContact CG-CG1 4.28Å; P2254-I2262 HydrophobicContact CG-CG2 4.42Å; P2259-I2262 WeakPolarHBondContact O-CD1 3.26Å; P2259-I2262 WeakPolarHBondContact O-CG1 3.46Å; P2259-I2262 WeakPolarHBondContact O-CG2 3.46Å; V2260-I2262 PolarHBondContact O-N 3.02Å; I2262-Y2271 HydrophobicContact CD1-CD1 3.96Å; I2262-Y2271 HydrophobicContact CD1-CD2 4.37Å; I2262-Y2271 HydrophobicContact CD1-CE1 4.23Å; I2262-Y2271 HydrophobicContact CD1-CG 3.75Å; I2262-Y2271 HydrophobicContact CG1-CD1 4.05Å; I2262-Y2271 HydrophobicContact CG1-CG 4.28Å; I2262-Y2271 HydrophobicContact CG2-CD1 3.7Å; I2262-Y2271 HydrophobicContact CG2-CG 4.1Å; I2262-I2272 WeakPolarHBondContact CA-O 3.42Å; I2262-F2274 VanDerWaalsContact O-CE2 3.3Å; I2262-F2274 WeakPolarHBondContact O-CE2 3.39Å
2263T85.7Confident82.8Confident17.8 Ų17.853.1 Ų53.111%0.10930%0.302CS..EExtended strand (participates in β ladder)trans-126.4163.4166.5-171.40000109.9Y2271 I2272 F2274 E2305T2263-Y2271 WeakPolarHBondContact O-CA 3.41Å; T2263-I2272 HydrophobicContact CG2-CB 3.99Å; T2263-I2272 HydrophobicContact CG2-CD1 4Å; T2263-I2272 HydrophobicContact CG2-CG1 3.55Å; T2263-I2272 WeakPolarHBondContact CG2-O 3.3Å; T2263-I2272 PolarHBondContact N-O 3.33Å; T2263-I2272 PolarHBondContact O-N 2.89Å; T2263-F2274 HydrophobicContact CG2-CD1 4.24Å; T2263-F2274 HydrophobicContact CG2-CE1 4.2Å; T2263-F2274 HydrophobicContact CG2-CZ 4.44Å; T2263-E2305 WeakPolarHBondContact CB-OE2 3.28Å; T2263-E2305 VanDerWaalsContact OG1-CD 3.31Å; T2263-E2305 PolarHBondContact OG1-OE1 3.09Å; T2263-E2305 PolarHBondContact OG1-OE2 3.25Å
2264Y86.3Confident82.6Confident33 Ų3353.4 Ų53.413%0.12930%0.302CS..EExtended strand (participates in β ladder)trans-108.8118.1-177.1172.3-105.8000110.3M2217 R2219 D2220 A2266 D2269M2217-Y2264 WeakPolarHBondContact CB-OH 3.28Å; M2217-Y2264 VanDerWaalsContact CG-OH 3.29Å; M2217-Y2264 WeakPolarHBondContact CG-OH 3.37Å; R2219-Y2264 HydrophobicContact CB-CD2 3.96Å; R2219-Y2264 HydrophobicContact CB-CE2 3.74Å; D2220-Y2264 HydrophobicContact CB-CD1 3.69Å; D2220-Y2264 HydrophobicContact CB-CD2 4.39Å; D2220-Y2264 HydrophobicContact CB-CE1 3.65Å; D2220-Y2264 HydrophobicContact CB-CE2 4.35Å; D2220-Y2264 HydrophobicContact CB-CG 4.08Å; Y2264-A2266 HydrophobicContact CD1-CB 4.45Å; Y2264-A2266 HydrophobicContact CE1-CB 3.89Å; Y2264-A2266 PolarHBondContact O-N 3.2Å; Y2264-D2269 VanDerWaalsContact CE2-OD1 3.3Å; Y2264-D2269 WeakPolarHBondContact CE2-OD1 3.3Å; Y2264-D2269 PolarHBondContact OH-OD1 3.18Å; Y2264-D2269 VanDerWaalsContact OH-OD1 3.08Å
2265D85.9Confident82Confident36.6 Ų36.655.4 Ų55.420%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-87104.3172.4178.914.7000110.5K2267 N2268 D2269 A2270 I2272D2265-K2267 PolarHBondContact O-N 3.16Å; D2265-K2267 VanDerWaalsContact O-N 3.17Å; D2265-K2267 WeakPolarHBondContact OD1-CB 3.43Å; D2265-K2267 PolarHBondContact OD1-N 3.2Å; D2265-N2268 PolarHBondContact O-N 3.15Å; D2265-N2268 WeakPolarHBondContact OD2-CB 3.27Å; D2265-N2268 PolarHBondContact OD2-ND2 3.17Å; D2265-D2269 WeakPolarHBondContact O-CA 3.43Å; D2265-D2269 PolarHBondContact O-N 3.19Å; D2265-A2270 PolarHBondContact N-O 3.31Å; D2265-A2270 PolarHBondContact O-N 3.2Å; D2265-I2272 HydrophobicContact CB-CD1 3.8Å; D2265-I2272 HydrophobicContact CB-CG1 4.2Å; D2265-I2272 HydrophobicContact CB-CG2 4.44Å
2266A83.2Confident81.1Confident78.4 Ų78.455.9 Ų55.965%0.64833%0.326SS*.THydrogen-bonded Turntrans-62.6-20178.300000114.1Y2264Y2264-A2266 HydrophobicContact CD1-CB 4.45Å; Y2264-A2266 HydrophobicContact CE1-CB 3.89Å; Y2264-A2266 PolarHBondContact O-N 3.2Å
2267K84.4Confident80.2Confident191.8 Ų191.853.9 Ų53.983%0.83432%0.322SS*.THydrogen-bonded Turntrans-77.3-39.6179.8-66179.1-178.8173.10112.4D2265D2265-K2267 PolarHBondContact O-N 3.16Å; D2265-K2267 VanDerWaalsContact O-N 3.17Å; D2265-K2267 WeakPolarHBondContact OD1-CB 3.43Å; D2265-K2267 PolarHBondContact OD1-N 3.2Å
2268N84.4Confident79.4Confident121.8 Ų121.851.6 Ų51.665%0.65130%0.301SS*.THydrogen-bonded Turntrans-106-1.2-175.8-65.8-57.6000113.4D2265 A2270D2265-N2268 PolarHBondContact O-N 3.15Å; D2265-N2268 WeakPolarHBondContact OD2-CB 3.27Å; D2265-N2268 PolarHBondContact OD2-ND2 3.17Å; N2268-A2270 VanDerWaalsContact C-N 3.28Å; N2268-A2270 HydrophobicContact CB-CB 4.26Å; N2268-A2270 PolarHBondContact O-N 3.11Å
2269D87.5Confident78.4Confident48.4 Ų48.455.8 Ų55.826%0.25932%0.317SS..THydrogen-bonded Turntrans48.150.9-171.8-177.834.6000111.2M2217 R2219 Y2264 D2265M2217-D2269 HydrophobicContact CE-CB 4.01Å; M2217-D2269 VanDerWaalsContact CE-CG 3.41Å; M2217-D2269 WeakPolarHBondContact CE-OD2 3.33Å; R2219-D2269 VanDerWaalsContact CD-O 3.27Å; R2219-D2269 WeakPolarHBondContact CD-O 3.36Å; R2219-D2269 PolarHBondContact NH1-O 3.31Å; Y2264-D2269 VanDerWaalsContact CE2-OD1 3.3Å; Y2264-D2269 WeakPolarHBondContact CE2-OD1 3.3Å; Y2264-D2269 PolarHBondContact OH-OD1 3.18Å; Y2264-D2269 VanDerWaalsContact OH-OD1 3.08Å; D2265-D2269 WeakPolarHBondContact O-CA 3.43Å; D2265-D2269 PolarHBondContact O-N 3.19Å
2270A87.7Confident77.1Confident28.8 Ų28.862 Ų6224%0.23835%0.345CS..EExtended strand (participates in β ladder)trans-133.7149.2-173.300000111.7D2265 N2268D2265-A2270 PolarHBondContact N-O 3.31Å; D2265-A2270 PolarHBondContact O-N 3.2Å; N2268-A2270 VanDerWaalsContact C-N 3.28Å; N2268-A2270 HydrophobicContact CB-CB 4.26Å; N2268-A2270 PolarHBondContact O-N 3.11Å
2271Y87.3Confident75.7Confident26.8 Ų26.864.6 Ų64.611%0.10536%0.364CS..EExtended strand (participates in β ladder)trans-78.9128.9167.6-60.6-56.1000109.5R2219 L2223 F2246 E2251 P2254 I2262 T2263R2219-Y2271 VanDerWaalsContact CA-OH 3.25Å; R2219-Y2271 WeakPolarHBondContact CA-OH 3.36Å; R2219-Y2271 HydrophobicContact CB-CE1 3.82Å; R2219-Y2271 HydrophobicContact CB-CE2 4.29Å; R2219-Y2271 HydrophobicContact CG-CE1 4.34Å; R2219-Y2271 HydrophobicContact CG-CE2 3.9Å; R2219-Y2271 WeakPolarHBondContact O-CE1 3.3Å; R2219-Y2271 PolarHBondContact O-OH 3.27Å; R2219-Y2271 VanDerWaalsContact O-OH 3.04Å; L2223-Y2271 HydrophobicContact CB-CE1 4.29Å; F2246-Y2271 HydrophobicContact CD1-CE2 4.27Å; F2246-Y2271 HydrophobicContact CE1-CD1 4.49Å; F2246-Y2271 AromaticContact CE1-CD2 3.87Å; F2246-Y2271 HydrophobicContact CE1-CD2 4.15Å; F2246-Y2271 HydrophobicContact CE1-CE1 4.15Å; F2246-Y2271 AromaticContact CE1-CE2 3.65Å; F2246-Y2271 HydrophobicContact CE1-CE2 3.65Å; F2246-Y2271 VanDerWaalsContact CE1-CE2 3.47Å; F2246-Y2271 HydrophobicContact CE1-CG 4.43Å; F2246-Y2271 AromaticContact CE1-CZ 3.62Å; F2246-Y2271 HydrophobicContact CZ-CE1 4.23Å; F2246-Y2271 HydrophobicContact CZ-CE2 4.27Å; F2246-Y2271 AromaticContact CZ-CZ 3.84Å; E2251-Y2271 HydrophobicContact CB-CE2 4.13Å; E2251-Y2271 HydrophobicContact CG-CE2 4.27Å; E2251-Y2271 WeakPolarHBondContact OE2-CE2 3.35Å; P2254-Y2271 VanDerWaalsContact CG-O 3.27Å; P2254-Y2271 WeakPolarHBondContact CG-O 3.32Å; I2262-Y2271 HydrophobicContact CD1-CD1 3.96Å; I2262-Y2271 HydrophobicContact CD1-CD2 4.37Å; I2262-Y2271 HydrophobicContact CD1-CE1 4.23Å; I2262-Y2271 HydrophobicContact CD1-CG 3.75Å; I2262-Y2271 HydrophobicContact CG1-CD1 4.05Å; I2262-Y2271 HydrophobicContact CG1-CG 4.28Å; I2262-Y2271 HydrophobicContact CG2-CD1 3.7Å; I2262-Y2271 HydrophobicContact CG2-CG 4.1Å; T2263-Y2271 WeakPolarHBondContact O-CA 3.41Å
2272I85.7Confident74.3Confident66 Ų6669.5 Ų69.534%0.33839%0.385SS..EExtended strand (participates in β ladder)trans-125.1156.517522.1178.2000108.8I2262 T2263 D2265I2262-I2272 WeakPolarHBondContact CA-O 3.42Å; T2263-I2272 HydrophobicContact CG2-CB 3.99Å; T2263-I2272 HydrophobicContact CG2-CD1 4Å; T2263-I2272 HydrophobicContact CG2-CG1 3.55Å; T2263-I2272 WeakPolarHBondContact CG2-O 3.3Å; T2263-I2272 PolarHBondContact N-O 3.33Å; T2263-I2272 PolarHBondContact O-N 2.89Å; D2265-I2272 HydrophobicContact CB-CD1 3.8Å; D2265-I2272 HydrophobicContact CB-CG1 4.2Å; D2265-I2272 HydrophobicContact CB-CG2 4.44Å
2273T83Confident72.9Confident41.8 Ų41.871.7 Ų71.726%0.25640%0.396SS..  trans-83.6152.1171.756.80000110.5P2254 D2255 N2261 D2275P2254-T2273 HydrophobicContact CB-CG2 4.08Å; P2254-T2273 HydrophobicContact CG-CG2 3.81Å; D2255-T2273 HydrophobicContact CB-CG2 4.27Å; N2261-T2273 WeakPolarHBondContact O-CA 3.33Å; T2273-D2275 WeakPolarHBondContact CB-OD2 3.2Å; T2273-D2275 PolarHBondContact O-N 3.2Å; T2273-D2275 VanDerWaalsContact O-N 3.13Å; T2273-D2275 PolarHBondContact OG1-OD2 3.25Å
2274F77.2Confident71.2Confident18.4 Ų18.474.8 Ų74.88%0.08142%0.417CS..G310 helixtrans-67.721.9172.8-75-75.1000111.8N2261 I2262 T2263 G2276 C2277 I2278 V2298 C2301 E2302 E2305N2261-F2274 PolarHBondContact O-N 2.8Å; N2261-F2274 VanDerWaalsContact O-N 3.09Å; N2261-F2274 VanDerWaalsContact OD1-CB 3.24Å; N2261-F2274 WeakPolarHBondContact OD1-CB 3.4Å; N2261-F2274 VanDerWaalsContact OD1-CD2 3.28Å; N2261-F2274 WeakPolarHBondContact OD1-CD2 3.39Å; N2261-F2274 PolarHBondContact OD1-N 3.12Å; I2262-F2274 VanDerWaalsContact O-CE2 3.3Å; I2262-F2274 WeakPolarHBondContact O-CE2 3.39Å; T2263-F2274 HydrophobicContact CG2-CD1 4.24Å; T2263-F2274 HydrophobicContact CG2-CE1 4.2Å; T2263-F2274 HydrophobicContact CG2-CZ 4.44Å; F2274-G2276 PolarHBondContact O-N 3.16Å; F2274-G2276 VanDerWaalsContact O-N 3.14Å; F2274-C2277 CarbonylContact O-C 3.14Å; F2274-C2277 WeakPolarHBondContact O-CA 3.22Å; F2274-C2277 WeakPolarHBondContact O-CB 3.41Å; F2274-C2277 PolarHBondContact O-N 3.13Å; F2274-I2278 HydrophobicContact CB-CD1 4.3Å; F2274-I2278 WeakPolarHBondContact O-CG1 3.34Å; F2274-I2278 PolarHBondContact O-N 3.13Å; F2274-I2278 VanDerWaalsContact O-N 3.14Å; F2274-V2298 HydrophobicContact CB-CB 4.47Å; F2274-V2298 HydrophobicContact CB-CG1 4.17Å; F2274-V2298 HydrophobicContact CB-CG2 4.32Å; F2274-V2298 HydrophobicContact CD2-CG1 4.03Å; F2274-V2298 HydrophobicContact CG-CG1 4.34Å; F2274-C2301 HydrophobicContact CB-CB 4.49Å; F2274-C2301 HydrophobicContact CD1-CB 3.56Å; F2274-C2301 VanDerWaalsContact CD1-CB 3.48Å; F2274-C2301 HydrophobicContact CD2-CB 4.25Å; F2274-C2301 HydrophobicContact CE1-CB 3.65Å; F2274-C2301 HydrophobicContact CE2-CB 4.21Å; F2274-C2301 HydrophobicContact CG-CB 4.07Å; F2274-C2301 HydrophobicContact CZ-CB 4.2Å; F2274-E2302 HydrophobicContact CD2-CB 4.49Å; F2274-E2302 HydrophobicContact CE2-CB 4.05Å; F2274-E2302 HydrophobicContact CE2-CG 4.16Å; F2274-E2302 HydrophobicContact CZ-CB 4.23Å; F2274-E2302 HydrophobicContact CZ-CG 4.49Å; F2274-E2305 VanDerWaalsContact CE1-OE1 3.24Å; F2274-E2305 WeakPolarHBondContact CE1-OE1 3.48Å; F2274-E2305 HydrophobicContact CZ-CG 4.39Å; F2274-E2305 VanDerWaalsContact CZ-OE1 3.31Å; F2274-E2305 WeakPolarHBondContact CZ-OE1 3.41Å; F2274-E2305 VanDerWaalsContact CZ-OE2 3.3Å; F2274-E2305 WeakPolarHBondContact CZ-OE2 3.39Å
2275D68.8Low69.7Low108 Ų10877.6 Ų77.658%0.57843%0.434SS*.G310 helixtrans-62.13.4175.5-59.4-36.1000110.8N2261 T2273 C2277N2261-D2275 PolarHBondContact ND2-OD1 3.4Å; N2261-D2275 PolarHBondContact ND2-OD2 3.16Å; T2273-D2275 WeakPolarHBondContact CB-OD2 3.2Å; T2273-D2275 PolarHBondContact O-N 3.2Å; T2273-D2275 VanDerWaalsContact O-N 3.13Å; T2273-D2275 PolarHBondContact OG1-OD2 3.25Å; D2275-C2277 VanDerWaalsContact C-N 3.29Å; D2275-C2277 PolarHBondContact O-N 3.33Å
2276G60.3Low68.2Low61.6 Ų61.676.8 Ų76.864%0.63543%0.431SS*.G310 helixtrans-72.918.9175.900000113.7F2274 I2278F2274-G2276 PolarHBondContact O-N 3.16Å; F2274-G2276 VanDerWaalsContact O-N 3.14Å; G2276-I2278 VanDerWaalsContact C-N 3.29Å; G2276-I2278 PolarHBondContact O-N 2.96Å
2277C57.3Low66.6Low80.2 Ų80.280.3 Ų80.354%0.54243%0.427SS..THydrogen-bonded Turntrans-93.325.6-177.9-71.70000112.6F2274 D2275 E2279F2274-C2277 CarbonylContact O-C 3.14Å; F2274-C2277 WeakPolarHBondContact O-CA 3.22Å; F2274-C2277 WeakPolarHBondContact O-CB 3.41Å; F2274-C2277 PolarHBondContact O-N 3.13Å; D2275-C2277 VanDerWaalsContact C-N 3.29Å; D2275-C2277 PolarHBondContact O-N 3.33Å; C2277-E2279 VanDerWaalsContact C-N 3.32Å; C2277-E2279 PolarHBondContact O-N 3.12Å; C2277-E2279 VanDerWaalsContact O-N 3.1Å
2278I59.1Low65Low46 Ų4674.5 Ų74.524%0.23642%0.415CS..  trans-79.994.1172.8-57.5171.5000107.6F2274 G2276 E2280 K2296 V2298 L2338 T2342 K2345F2274-I2278 HydrophobicContact CB-CD1 4.3Å; F2274-I2278 WeakPolarHBondContact O-CG1 3.34Å; F2274-I2278 PolarHBondContact O-N 3.13Å; F2274-I2278 VanDerWaalsContact O-N 3.14Å; G2276-I2278 VanDerWaalsContact C-N 3.29Å; G2276-I2278 PolarHBondContact O-N 2.96Å; I2278-E2280 PolarHBondContact O-N 3.25Å; I2278-E2280 VanDerWaalsContact O-N 3.15Å; I2278-K2296 HydrophobicContact CG2-CB 4.02Å; I2278-K2296 WeakPolarHBondContact CG2-O 3.4Å; I2278-V2298 HydrophobicContact CD1-CG2 4.24Å; I2278-L2338 HydrophobicContact CD1-CD1 4.25Å; I2278-L2338 HydrophobicContact CD1-CD2 4.1Å; I2278-L2338 HydrophobicContact CD1-CG 3.73Å; I2278-L2338 HydrophobicContact CG1-CD1 4.17Å; I2278-L2338 HydrophobicContact CG2-CD2 4.49Å; I2278-T2342 VanDerWaalsContact CD1-OG1 3.28Å; I2278-T2342 WeakPolarHBondContact CD1-OG1 3.38Å; I2278-T2342 HydrophobicContact CG2-CG2 3.67Å; I2278-K2345 HydrophobicContact CG2-CD 4.25Å
2279E55.6Low63.4Low126.2 Ų126.270.3 Ų70.359%0.5940%0.397SS*.  trans-61.4124.4168.7-71.7177.2164.900109.5C2277 S2281 F2282 K2296C2277-E2279 VanDerWaalsContact C-N 3.32Å; C2277-E2279 PolarHBondContact O-N 3.12Å; C2277-E2279 VanDerWaalsContact O-N 3.1Å; E2279-S2281 VanDerWaalsContact C-N 3.28Å; E2279-S2281 PolarHBondContact O-N 3.11Å; E2279-S2281 PolarHBondContact O-OG 3.11Å; E2279-F2282 HydrophobicContact CB-CD2 4.21Å; E2279-F2282 HydrophobicContact CB-CE2 4.36Å; E2279-F2282 PolarHBondContact O-N 2.99Å; E2279-K2296 IonicContact OE1-NZ 3.96Å; E2279-K2296 PolarHBondContact OE1-NZ 2.88Å; E2279-K2296 IonicContact OE2-NZ 2.76Å; E2279-K2296 PolarHBondContact OE2-NZ 3.46Å
2280E52.1Low61.7Low136.8 Ų136.871.6 Ų71.664%0.63941%0.414SS*.  trans-59.959.3172.7-74-163.4149.200110.1I2278 F2282 I2283 K2345 R2349I2278-E2280 PolarHBondContact O-N 3.25Å; I2278-E2280 VanDerWaalsContact O-N 3.15Å; E2280-F2282 VanDerWaalsContact C-N 3.3Å; E2280-F2282 PolarHBondContact O-N 3.12Å; E2280-F2282 VanDerWaalsContact O-N 3.16Å; E2280-I2283 PolarHBondContact O-N 3.46Å; E2280-K2345 IonicContact OE1-NZ 3.21Å; E2280-K2345 PolarHBondContact OE1-NZ 3.02Å; E2280-R2349 VanDerWaalsContact CD-NH2 3.32Å; E2280-R2349 IonicContact OE1-CZ 3.57Å; E2280-R2349 IonicContact OE1-NH1 2.73Å; E2280-R2349 IonicContact OE1-NH2 3.79Å; E2280-R2349 PolarHBondContact OE1-NH2 3.01Å; E2280-R2349 IonicContact OE2-CZ 3.22Å; E2280-R2349 VanDerWaalsContact OE2-CZ 3.28Å; E2280-R2349 IonicContact OE2-NH1 3.33Å; E2280-R2349 PolarHBondContact OE2-NH1 3.44Å; E2280-R2349 IonicContact OE2-NH2 3.93Å; E2280-R2349 PolarHBondContact OE2-NH2 3.01Å
2281S51.6Low60.4Low69.8 Ų69.876.2 Ų76.249%0.48844%0.435SS..  trans-71.462.5179.312.30000110.4E2279 I2283E2279-S2281 VanDerWaalsContact C-N 3.28Å; E2279-S2281 PolarHBondContact O-N 3.11Å; E2279-S2281 PolarHBondContact O-OG 3.11Å; S2281-I2283 PolarHBondContact O-N 3.25Å; S2281-I2283 VanDerWaalsContact O-N 3.16Å
2282F51.7Low59.3Low117.6 Ų117.677.5 Ų77.552%0.51645%0.446SS..  trans-76.896.3175-149.5-108.5000109.9E2279 E2280 P2284 P2293 P2346 R2349E2279-F2282 HydrophobicContact CB-CD2 4.21Å; E2279-F2282 HydrophobicContact CB-CE2 4.36Å; E2279-F2282 PolarHBondContact O-N 2.99Å; E2280-F2282 VanDerWaalsContact C-N 3.3Å; E2280-F2282 PolarHBondContact O-N 3.12Å; E2280-F2282 VanDerWaalsContact O-N 3.16Å; F2282-P2284 VanDerWaalsContact C-CD 3.41Å; F2282-P2284 HydrophobicContact CD1-CB 4.09Å; F2282-P2284 HydrophobicContact CD1-CG 3.89Å; F2282-P2284 VanDerWaalsContact CE1-CA 3.47Å; F2282-P2284 HydrophobicContact CE1-CB 3.63Å; F2282-P2284 HydrophobicContact CE1-CG 3.97Å; F2282-P2284 HydrophobicContact CZ-CB 4.43Å; F2282-P2284 VanDerWaalsContact O-CD 3.25Å; F2282-P2284 WeakPolarHBondContact O-CD 3.33Å; F2282-P2293 HydrophobicContact CD1-CB 4.21Å; F2282-P2293 HydrophobicContact CD1-CG 4.09Å; F2282-P2293 HydrophobicContact CE1-CB 3.26Å; F2282-P2293 HydrophobicContact CE1-CG 3.44Å; F2282-P2293 VanDerWaalsContact CE1-CG 3.44Å; F2282-P2293 HydrophobicContact CZ-CB 3.54Å; F2282-P2293 HydrophobicContact CZ-CG 4.24Å; F2282-P2346 HydrophobicContact CB-CG 4.38Å; F2282-R2349 VanDerWaalsContact CE2-NH1 3.29Å; F2282-R2349 VanDerWaalsContact CZ-NH2 3.26Å
2283I55.5Low58.4Low49 Ų4976 Ų7625%0.25144%0.44SS..  trans-90.5103163.4-55.8167.5000105.5E2280 S2281 D2285 V2286 P2293 T2342 F2343 P2346E2280-I2283 PolarHBondContact O-N 3.46Å; S2281-I2283 PolarHBondContact O-N 3.25Å; S2281-I2283 VanDerWaalsContact O-N 3.16Å; I2283-D2285 PolarHBondContact O-N 2.72Å; I2283-V2286 HydrophobicContact CB-CG2 4.36Å; I2283-V2286 HydrophobicContact CG2-CB 4.27Å; I2283-V2286 HydrophobicContact CG2-CG1 4.36Å; I2283-V2286 HydrophobicContact CG2-CG2 3.78Å; I2283-P2293 HydrophobicContact CB-CG 4.39Å; I2283-P2293 HydrophobicContact CD1-CB 3.86Å; I2283-P2293 HydrophobicContact CD1-CG 3.58Å; I2283-P2293 VanDerWaalsContact CD1-CG 3.46Å; I2283-P2293 HydrophobicContact CG1-CB 3.95Å; I2283-P2293 HydrophobicContact CG1-CG 3.9Å; I2283-P2293 HydrophobicContact CG2-CB 4.27Å; I2283-P2293 HydrophobicContact CG2-CG 3.74Å; I2283-T2342 HydrophobicContact CD1-CG2 4.03Å; I2283-F2343 HydrophobicContact CD1-CD1 4.11Å; I2283-F2343 HydrophobicContact CD1-CE1 3.97Å; I2283-F2343 HydrophobicContact CD1-CZ 4.14Å; I2283-P2346 HydrophobicContact CB-CG 4.08Å; I2283-P2346 HydrophobicContact CD1-CG 3.41Å; I2283-P2346 VanDerWaalsContact CD1-CG 3.41Å; I2283-P2346 HydrophobicContact CG2-CG 4.16Å
2284P51.5Low57.8Low82.8 Ų82.879.6 Ų79.654%0.53846%0.457SS..SBendtrans-65.2-23.2-178.6-0.78.5000110.1F2282 V2286 A2289 P2346F2282-P2284 VanDerWaalsContact C-CD 3.41Å; F2282-P2284 HydrophobicContact CD1-CB 4.09Å; F2282-P2284 HydrophobicContact CD1-CG 3.89Å; F2282-P2284 VanDerWaalsContact CE1-CA 3.47Å; F2282-P2284 HydrophobicContact CE1-CB 3.63Å; F2282-P2284 HydrophobicContact CE1-CG 3.97Å; F2282-P2284 HydrophobicContact CZ-CB 4.43Å; F2282-P2284 VanDerWaalsContact O-CD 3.25Å; F2282-P2284 WeakPolarHBondContact O-CD 3.33Å; P2284-V2286 HydrophobicContact CB-CG2 4.2Å; P2284-V2286 HydrophobicContact CG-CG2 4.45Å; P2284-V2286 WeakPolarHBondContact O-CG2 3.43Å; P2284-V2286 PolarHBondContact O-N 3.13Å; P2284-A2289 HydrophobicContact CG-CB 4.21Å; P2284-P2346 HydrophobicContact CG-CB 3.66Å; P2284-P2346 HydrophobicContact CG-CG 4.13Å
2285D54Low57.5Low92.8 Ų92.879 Ų7950%0.49646%0.456SS..  trans-114100.5176.4-164.4-6.4000108.7I2283 R2287 A2288 A2289I2283-D2285 PolarHBondContact O-N 2.72Å; D2285-R2287 PolarHBondContact O-N 3.08Å; D2285-R2287 WeakPolarHBondContact OD1-CA 3.47Å; D2285-R2287 VanDerWaalsContact OD1-CB 3.26Å; D2285-R2287 WeakPolarHBondContact OD1-CB 3.4Å; D2285-R2287 VanDerWaalsContact OD1-CD 3.22Å; D2285-R2287 WeakPolarHBondContact OD1-CD 2.97Å; D2285-R2287 VanDerWaalsContact OD1-CG 3.27Å; D2285-R2287 WeakPolarHBondContact OD1-CG 3.44Å; D2285-R2287 PolarHBondContact OD1-N 3.19Å; D2285-R2287 VanDerWaalsContact OD1-N 3.12Å; D2285-R2287 IonicContact OD1-NE 2.74Å; D2285-A2288 HydrophobicContact CB-CB 4.25Å; D2285-A2288 PolarHBondContact O-N 3.15Å; D2285-A2288 PolarHBondContact OD1-N 3.16Å; D2285-A2288 WeakPolarHBondContact OD2-CB 3.34Å; D2285-A2289 PolarHBondContact O-N 3.34Å
2286V53.9Low57.7Low20.4 Ų20.478.3 Ų78.312%0.12445%0.447CS..THydrogen-bonded Turntrans-64.7-20.4-179.2-170.60000111I2283 P2284 A2288 F2343 P2346 L2396 Y2532I2283-V2286 HydrophobicContact CB-CG2 4.36Å; I2283-V2286 HydrophobicContact CG2-CB 4.27Å; I2283-V2286 HydrophobicContact CG2-CG1 4.36Å; I2283-V2286 HydrophobicContact CG2-CG2 3.78Å; P2284-V2286 HydrophobicContact CB-CG2 4.2Å; P2284-V2286 HydrophobicContact CG-CG2 4.45Å; P2284-V2286 WeakPolarHBondContact O-CG2 3.43Å; P2284-V2286 PolarHBondContact O-N 3.13Å; V2286-A2288 PolarHBondContact O-N 3.36Å; V2286-F2343 HydrophobicContact CG1-CD1 4.36Å; V2286-P2346 HydrophobicContact CG2-CB 3.84Å; V2286-P2346 HydrophobicContact CG2-CG 4.14Å; V2286-L2396 HydrophobicContact CB-CD2 3.9Å; V2286-L2396 HydrophobicContact CG1-CB 3.98Å; V2286-L2396 HydrophobicContact CG1-CD1 3.84Å; V2286-L2396 HydrophobicContact CG1-CD2 3.44Å; V2286-L2396 VanDerWaalsContact CG1-CD2 3.41Å; V2286-L2396 HydrophobicContact CG1-CG 4.17Å; V2286-L2396 HydrophobicContact CG2-CD2 4.1Å; V2286-Y2532 WeakPolarHBondContact CG1-OH 3.37Å; V2286-Y2532 PolarHBondContact O-OH 3.06Å
2287R50.7Low58.5Low151.2 Ų151.275.4 Ų75.457%0.57142%0.418SS*.THydrogen-bonded Turntrans-76.5-30-177.4-56.8178.7179.6178.9-1.4113.1D2285 D2480D2285-R2287 PolarHBondContact O-N 3.08Å; D2285-R2287 WeakPolarHBondContact OD1-CA 3.47Å; D2285-R2287 VanDerWaalsContact OD1-CB 3.26Å; D2285-R2287 WeakPolarHBondContact OD1-CB 3.4Å; D2285-R2287 VanDerWaalsContact OD1-CD 3.22Å; D2285-R2287 WeakPolarHBondContact OD1-CD 2.97Å; D2285-R2287 VanDerWaalsContact OD1-CG 3.27Å; D2285-R2287 WeakPolarHBondContact OD1-CG 3.44Å; D2285-R2287 PolarHBondContact OD1-N 3.19Å; D2285-R2287 VanDerWaalsContact OD1-N 3.12Å; D2285-R2287 IonicContact OD1-NE 2.74Å; R2287-D2480 IonicContact CZ-OD2 2.68Å; R2287-D2480 IonicContact NE-OD2 3.85Å; R2287-D2480 IonicContact NH1-OD2 3.46Å; R2287-D2480 PolarHBondContact NH1-OD2 3.11Å
2288A51Low59.5Low69.8 Ų69.872.8 Ų72.858%0.57740%0.399SS*.THydrogen-bonded Turntrans-92-1.3-176.800000113.6D2285 V2286 A2290 N2291D2285-A2288 HydrophobicContact CB-CB 4.25Å; D2285-A2288 PolarHBondContact O-N 3.15Å; D2285-A2288 PolarHBondContact OD1-N 3.16Å; D2285-A2288 WeakPolarHBondContact OD2-CB 3.34Å; V2286-A2288 PolarHBondContact O-N 3.36Å; A2288-A2290 PolarHBondContact O-N 3.26Å; A2288-N2291 PolarHBondContact O-N 2.89Å
2289A49.8Very low60.4Low34.8 Ų34.871.6 Ų71.629%0.28839%0.394SS..  trans-72.998.6-175.700000112.4P2284 D2285 N2291 P2293 Y2532P2284-A2289 HydrophobicContact CG-CB 4.21Å; D2285-A2289 PolarHBondContact O-N 3.34Å; A2289-N2291 WeakPolarHBondContact CB-O 3.28Å; A2289-N2291 PolarHBondContact O-N 3.22Å; A2289-N2291 VanDerWaalsContact O-N 3.13Å; A2289-P2293 HydrophobicContact CB-CG 4.28Å; A2289-Y2532 HydrophobicContact CB-CE1 4.33Å; A2289-Y2532 VanDerWaalsContact O-CE1 3.32Å; A2289-Y2532 WeakPolarHBondContact O-CE1 3.39Å
2290A52.6Low61.5Low74.2 Ų74.267.3 Ų67.361%0.61338%0.375SS*.SBendtrans-64.5-20.217500000113.7A2288 K2658A2288-A2290 PolarHBondContact O-N 3.26Å; A2290-K2658 PolarHBondContact O-NZ 3.3Å
2291N59.1Low62.9Low126.6 Ų126.661.9 Ų61.968%0.67735%0.352SS*.SBendtrans-128.2130.6179-68.6-32.6000110A2288 A2289 P2293 K2658A2288-N2291 PolarHBondContact O-N 2.89Å; A2289-N2291 WeakPolarHBondContact CB-O 3.28Å; A2289-N2291 PolarHBondContact O-N 3.22Å; A2289-N2291 VanDerWaalsContact O-N 3.13Å; N2291-P2293 WeakPolarHBondContact O-CD 3.36Å; N2291-K2658 PolarHBondContact OD1-NZ 2.85Å
2292V64.1Low64.3Low54.4 Ų54.459.5 Ų59.533%0.3333%0.333SS..PPolyproline II helixtrans-60.9124.3172.3-178.50000108.8F2343 T2389 I2392 Y2532V2292-F2343 HydrophobicContact CG1-CE1 3.89Å; V2292-F2343 HydrophobicContact CG1-CZ 3.77Å; V2292-T2389 HydrophobicContact CB-CG2 4.23Å; V2292-T2389 HydrophobicContact CG1-CG2 4.16Å; V2292-T2389 HydrophobicContact CG2-CG2 3.85Å; V2292-I2392 HydrophobicContact CG1-CB 4.24Å; V2292-I2392 HydrophobicContact CG1-CD1 4.09Å; V2292-I2392 HydrophobicContact CG1-CG2 3.79Å; V2292-Y2532 HydrophobicContact CG2-CD1 3.66Å; V2292-Y2532 HydrophobicContact CG2-CD2 4.27Å; V2292-Y2532 HydrophobicContact CG2-CE1 3.5Å; V2292-Y2532 HydrophobicContact CG2-CG 3.94Å
2293P66.8Low65.8Low33.4 Ų33.455.4 Ų55.422%0.21732%0.321CS..PPolyproline II helixtrans-64.4145.4-179.917-22.8000111.6F2282 I2283 A2289 N2291 F2343 L2396F2282-P2293 HydrophobicContact CD1-CB 4.21Å; F2282-P2293 HydrophobicContact CD1-CG 4.09Å; F2282-P2293 HydrophobicContact CE1-CB 3.26Å; F2282-P2293 HydrophobicContact CE1-CG 3.44Å; F2282-P2293 VanDerWaalsContact CE1-CG 3.44Å; F2282-P2293 HydrophobicContact CZ-CB 3.54Å; F2282-P2293 HydrophobicContact CZ-CG 4.24Å; I2283-P2293 HydrophobicContact CB-CG 4.39Å; I2283-P2293 HydrophobicContact CD1-CB 3.86Å; I2283-P2293 HydrophobicContact CD1-CG 3.58Å; I2283-P2293 VanDerWaalsContact CD1-CG 3.46Å; I2283-P2293 HydrophobicContact CG1-CB 3.95Å; I2283-P2293 HydrophobicContact CG1-CG 3.9Å; I2283-P2293 HydrophobicContact CG2-CB 4.27Å; I2283-P2293 HydrophobicContact CG2-CG 3.74Å; A2289-P2293 HydrophobicContact CB-CG 4.28Å; N2291-P2293 WeakPolarHBondContact O-CD 3.36Å; P2293-F2343 HydrophobicContact CB-CE1 4.08Å; P2293-F2343 HydrophobicContact CB-CZ 4.24Å; P2293-F2343 HydrophobicContact CG-CD1 4.28Å; P2293-F2343 HydrophobicContact CG-CE1 3.86Å; P2293-F2343 VanDerWaalsContact CG-CE1 3.41Å; P2293-F2343 HydrophobicContact CG-CZ 4Å; P2293-F2343 VanDerWaalsContact O-CZ 3.23Å; P2293-F2343 WeakPolarHBondContact O-CZ 3.35Å; P2293-L2396 HydrophobicContact CG-CD1 4.19Å
2294L71.3Confident67.1Low116.6 Ų116.658.2 Ų58.261%0.6133%0.333SS*.PPolyproline II helixtrans-90.7116.4-179.5-173.568.7000110.4K2296 I2300L2294-K2296 PolarHBondContact O-N 3.03Å; L2294-I2300 HydrophobicContact CD1-CD1 3.79Å; L2294-I2300 HydrophobicContact CD2-CD1 4.4Å; L2294-I2300 HydrophobicContact CD2-CG2 3.83Å; L2294-I2300 HydrophobicContact CG-CD1 4.18Å; L2294-I2300 HydrophobicContact CG-CG2 4.26Å
2295A71.8Confident68.6Low7.2 Ų7.256.8 Ų56.86%0.0632%0.319CS..PPolyproline II helixtrans-71.4126.9169.800000109.9S2297 I2300 I2339 T2342 F2343A2295-S2297 PolarHBondContact O-N 3.06Å; A2295-S2297 VanDerWaalsContact O-N 3.1Å; A2295-I2300 WeakPolarHBondContact O-CD1 3.35Å; A2295-I2339 HydrophobicContact CB-CB 4.46Å; A2295-I2339 HydrophobicContact CB-CG1 4Å; A2295-I2339 HydrophobicContact CB-CG2 4.26Å; A2295-T2342 HydrophobicContact CB-CG2 4.19Å; A2295-F2343 HydrophobicContact CB-CE2 4.15Å; A2295-F2343 HydrophobicContact CB-CZ 4.02Å
2296K73.2Confident70.1Confident92.2 Ų92.253.7 Ų53.740%0.40130%0.303SS..  trans-76.293.9179.3-68.3179.5-178.41730110.4I2278 E2279 L2294 L2338I2278-K2296 HydrophobicContact CG2-CB 4.02Å; I2278-K2296 WeakPolarHBondContact CG2-O 3.4Å; E2279-K2296 IonicContact OE1-NZ 3.96Å; E2279-K2296 PolarHBondContact OE1-NZ 2.88Å; E2279-K2296 IonicContact OE2-NZ 2.76Å; E2279-K2296 PolarHBondContact OE2-NZ 3.46Å; L2294-K2296 PolarHBondContact O-N 3.03Å; K2296-L2338 WeakPolarHBondContact O-CD2 3.28Å
2297S75.8Confident71.6Confident2 Ų254.5 Ų54.51%0.01431%0.307CS..  trans-87.7165.3168.980.70000111.1A2295 T2299 I2300 C2301 E2335A2295-S2297 PolarHBondContact O-N 3.06Å; A2295-S2297 VanDerWaalsContact O-N 3.1Å; S2297-T2299 VanDerWaalsContact C-N 3.3Å; S2297-T2299 PolarHBondContact O-N 3.1Å; S2297-T2299 PolarHBondContact OG-N 3.31Å; S2297-T2299 PolarHBondContact OG-OG1 3.14Å; S2297-I2300 WeakPolarHBondContact O-CB 3.32Å; S2297-I2300 PolarHBondContact O-N 3.12Å; S2297-I2300 VanDerWaalsContact O-N 3.13Å; S2297-I2300 WeakPolarHBondContact OG-CB 3.44Å; S2297-I2300 WeakPolarHBondContact OG-CD1 3.24Å; S2297-I2300 VanDerWaalsContact OG-CG1 3.29Å; S2297-I2300 WeakPolarHBondContact OG-CG1 3.33Å; S2297-I2300 PolarHBondContact OG-N 2.93Å; S2297-C2301 PolarHBondContact O-N 3.06Å; S2297-C2301 PolarHBondContact O-SG 2.9Å; S2297-C2301 VanDerWaalsContact O-SG 3.36Å; S2297-E2335 WeakPolarHBondContact CB-OE1 3.34Å; S2297-E2335 PolarHBondContact OG-OE1 3.26Å
2298V77.5Confident73.2Confident25.2 Ų25.249.7 Ų49.715%0.15329%0.292CS..Hα-helixtrans-54.2-46.9175.2174.60000111.2N2261 F2274 I2278 I2300 C2301 E2302N2261-V2298 HydrophobicContact CB-CG1 3.83Å; N2261-V2298 WeakPolarHBondContact OD1-CG1 3.41Å; F2274-V2298 HydrophobicContact CB-CB 4.47Å; F2274-V2298 HydrophobicContact CB-CG1 4.17Å; F2274-V2298 HydrophobicContact CB-CG2 4.32Å; F2274-V2298 HydrophobicContact CD2-CG1 4.03Å; F2274-V2298 HydrophobicContact CG-CG1 4.34Å; I2278-V2298 HydrophobicContact CD1-CG2 4.24Å; V2298-I2300 VanDerWaalsContact C-N 3.31Å; V2298-I2300 PolarHBondContact O-N 3.14Å; V2298-C2301 WeakPolarHBondContact O-CB 3.21Å; V2298-C2301 PolarHBondContact O-N 3.24Å; V2298-C2301 VanDerWaalsContact O-N 3.14Å; V2298-E2302 WeakPolarHBondContact O-CB 3.33Å; V2298-E2302 PolarHBondContact O-N 3.16Å
2299T78Confident74.7Confident19.6 Ų19.647.2 Ų47.212%0.1227%0.27CS..Hα-helixtrans-61.4-38.8178.2-15.90000112.5R2235 S2297 A2303 C2329 E2335R2235-T2299 PolarHBondContact NH1-OG1 2.84Å; S2297-T2299 VanDerWaalsContact C-N 3.3Å; S2297-T2299 PolarHBondContact O-N 3.1Å; S2297-T2299 PolarHBondContact OG-N 3.31Å; S2297-T2299 PolarHBondContact OG-OG1 3.14Å; T2299-A2303 VanDerWaalsContact O-CB 3.29Å; T2299-A2303 WeakPolarHBondContact O-CB 3.39Å; T2299-A2303 PolarHBondContact O-N 3.2Å; T2299-C2329 HydrophobicContact CG2-CB 3.48Å; T2299-C2329 VanDerWaalsContact CG2-SG 3.57Å; T2299-E2335 VanDerWaalsContact CB-OE1 3.28Å; T2299-E2335 WeakPolarHBondContact CB-OE1 3.37Å; T2299-E2335 WeakPolarHBondContact CB-OE2 3.12Å; T2299-E2335 WeakPolarHBondContact CG2-OE1 3.46Å; T2299-E2335 WeakPolarHBondContact CG2-OE2 3.38Å; T2299-E2335 PolarHBondContact N-OE1 3.06Å; T2299-E2335 VanDerWaalsContact OG1-CD 3.27Å; T2299-E2335 PolarHBondContact OG1-OE1 2.98Å; T2299-E2335 PolarHBondContact OG1-OE2 3.15Å; T2299-E2335 VanDerWaalsContact OG1-OE2 3.08Å
2300I79.8Confident76.3Confident37.8 Ų37.846.6 Ų46.619%0.19426%0.262CS..Hα-helixtrans-70.3-39.7177.2-71.7165.7000110.9L2294 A2295 S2297 V2298 A2303 H2304L2294-I2300 HydrophobicContact CD1-CD1 3.79Å; L2294-I2300 HydrophobicContact CD2-CD1 4.4Å; L2294-I2300 HydrophobicContact CD2-CG2 3.83Å; L2294-I2300 HydrophobicContact CG-CD1 4.18Å; L2294-I2300 HydrophobicContact CG-CG2 4.26Å; A2295-I2300 WeakPolarHBondContact O-CD1 3.35Å; S2297-I2300 WeakPolarHBondContact O-CB 3.32Å; S2297-I2300 PolarHBondContact O-N 3.12Å; S2297-I2300 VanDerWaalsContact O-N 3.13Å; S2297-I2300 WeakPolarHBondContact OG-CB 3.44Å; S2297-I2300 WeakPolarHBondContact OG-CD1 3.24Å; S2297-I2300 VanDerWaalsContact OG-CG1 3.29Å; S2297-I2300 WeakPolarHBondContact OG-CG1 3.33Å; S2297-I2300 PolarHBondContact OG-N 2.93Å; V2298-I2300 VanDerWaalsContact C-N 3.31Å; V2298-I2300 PolarHBondContact O-N 3.14Å; I2300-A2303 PolarHBondContact O-N 3Å; I2300-H2304 VanDerWaalsContact O-CB 3.23Å; I2300-H2304 WeakPolarHBondContact O-CB 3.29Å; I2300-H2304 PolarHBondContact O-N 3.17Å
2301C81.4Confident77.7Confident23.2 Ų23.247.5 Ų47.516%0.15725%0.254CS..Hα-helixtrans-63.5-44.3175.6-70.80000111.6F2274 S2297 V2298 H2304 E2305F2274-C2301 HydrophobicContact CB-CB 4.49Å; F2274-C2301 HydrophobicContact CD1-CB 3.56Å; F2274-C2301 VanDerWaalsContact CD1-CB 3.48Å; F2274-C2301 HydrophobicContact CD2-CB 4.25Å; F2274-C2301 HydrophobicContact CE1-CB 3.65Å; F2274-C2301 HydrophobicContact CE2-CB 4.21Å; F2274-C2301 HydrophobicContact CG-CB 4.07Å; F2274-C2301 HydrophobicContact CZ-CB 4.2Å; S2297-C2301 PolarHBondContact O-N 3.06Å; S2297-C2301 PolarHBondContact O-SG 2.9Å; S2297-C2301 VanDerWaalsContact O-SG 3.36Å; V2298-C2301 WeakPolarHBondContact O-CB 3.21Å; V2298-C2301 PolarHBondContact O-N 3.24Å; V2298-C2301 VanDerWaalsContact O-N 3.14Å; C2301-H2304 PolarHBondContact O-N 3.05Å; C2301-E2305 PolarHBondContact O-N 3.26Å
2302E81.7Confident78.6Confident18.6 Ų18.649.3 Ų49.39%0.08725%0.253CS..Hα-helixtrans-60.8-46.2175.1-163.9-150.9155.500111.7R2227 K2238 V2260 F2274 V2298 H2304 E2305 T2306R2227-E2302 IonicContact NE-OE1 3.39Å; K2238-E2302 WeakPolarHBondContact CE-OE1 3.29Å; K2238-E2302 VanDerWaalsContact NZ-CD 3.3Å; K2238-E2302 IonicContact NZ-OE1 3.45Å; K2238-E2302 PolarHBondContact NZ-OE1 3.18Å; K2238-E2302 IonicContact NZ-OE2 3.28Å; K2238-E2302 PolarHBondContact NZ-OE2 2.96Å; V2260-E2302 WeakPolarHBondContact CG1-OE2 3.27Å; F2274-E2302 HydrophobicContact CD2-CB 4.49Å; F2274-E2302 HydrophobicContact CE2-CB 4.05Å; F2274-E2302 HydrophobicContact CE2-CG 4.16Å; F2274-E2302 HydrophobicContact CZ-CB 4.23Å; F2274-E2302 HydrophobicContact CZ-CG 4.49Å; V2298-E2302 WeakPolarHBondContact O-CB 3.33Å; V2298-E2302 PolarHBondContact O-N 3.16Å; E2302-H2304 VanDerWaalsContact C-N 3.34Å; E2302-H2304 PolarHBondContact O-N 3.06Å; E2302-E2305 PolarHBondContact O-N 3.15Å; E2302-T2306 WeakPolarHBondContact O-CB 3.32Å; E2302-T2306 PolarHBondContact O-N 3.11Å; E2302-T2306 VanDerWaalsContact O-N 3.11Å; E2302-T2306 PolarHBondContact O-OG1 3.21Å
2303A82.4Confident78.9Confident31.6 Ų31.652.3 Ų52.326%0.26126%0.263SS..Hα-helixtrans-63.2-41.5176.600000111.5T2299 I2300 T2306 L2307T2299-A2303 VanDerWaalsContact O-CB 3.29Å; T2299-A2303 WeakPolarHBondContact O-CB 3.39Å; T2299-A2303 PolarHBondContact O-N 3.2Å; I2300-A2303 PolarHBondContact O-N 3Å; A2303-T2306 PolarHBondContact O-N 3.16Å; A2303-L2307 VanDerWaalsContact O-CB 3.26Å; A2303-L2307 WeakPolarHBondContact O-CB 3.25Å; A2303-L2307 WeakPolarHBondContact O-CD1 3.36Å; A2303-L2307 WeakPolarHBondContact O-CG 3.32Å; A2303-L2307 PolarHBondContact O-N 3.15Å
2304H83Confident78.9Confident108.6 Ų108.651.7 Ų51.750%0.50326%0.263SS..Hα-helixtrans-63.5-44.8178.3178.7-133.1000111.9I2300 C2301 E2302 T2306 L2307 N2308I2300-H2304 VanDerWaalsContact O-CB 3.23Å; I2300-H2304 WeakPolarHBondContact O-CB 3.29Å; I2300-H2304 PolarHBondContact O-N 3.17Å; C2301-H2304 PolarHBondContact O-N 3.05Å; E2302-H2304 VanDerWaalsContact C-N 3.34Å; E2302-H2304 PolarHBondContact O-N 3.06Å; H2304-T2306 VanDerWaalsContact C-N 3.34Å; H2304-T2306 PolarHBondContact O-N 3.05Å; H2304-L2307 PolarHBondContact O-N 3.23Å; H2304-N2308 PolarHBondContact CD2-ND2 2.78Å; H2304-N2308 VanDerWaalsContact CD2-ND2 3.28Å; H2304-N2308 PolarHBondContact CD2-OD1 3.01Å; H2304-N2308 PolarHBondContact CE1-ND2 3.03Å; H2304-N2308 VanDerWaalsContact CE1-ND2 3.33Å; H2304-N2308 PolarHBondContact CE1-OD1 2.92Å; H2304-N2308 PolarHBondContact ND1-ND2 2.99Å; H2304-N2308 PolarHBondContact NE2-ND2 3.06Å; H2304-N2308 PolarHBondContact NE2-OD1 3.03Å; H2304-N2308 VanDerWaalsContact O-CB 3.29Å; H2304-N2308 WeakPolarHBondContact O-CB 3.38Å; H2304-N2308 PolarHBondContact O-N 3.35Å; H2304-N2308 PolarHBondContact O-ND2 3.16Å
2305E83Confident79Confident51.6 Ų51.653.7 Ų53.724%0.24127%0.269CS..Hα-helixtrans-60.1-44.7175-127-171.3154.100111.2R2227 T2263 F2274 C2301 E2302 L2307 N2308 V2309R2227-E2305 IonicContact CZ-OE1 3Å; R2227-E2305 IonicContact CZ-OE2 3.35Å; R2227-E2305 IonicContact NH1-OE1 2.74Å; R2227-E2305 PolarHBondContact NH1-OE1 3.16Å; R2227-E2305 IonicContact NH1-OE2 3.09Å; R2227-E2305 PolarHBondContact NH1-OE2 3.19Å; R2227-E2305 VanDerWaalsContact NH1-OE2 3.14Å; R2227-E2305 IonicContact NH2-OE1 2.75Å; R2227-E2305 IonicContact NH2-OE2 3.24Å; R2227-E2305 PolarHBondContact NH2-OE2 3.29Å; T2263-E2305 WeakPolarHBondContact CB-OE2 3.28Å; T2263-E2305 VanDerWaalsContact OG1-CD 3.31Å; T2263-E2305 PolarHBondContact OG1-OE1 3.09Å; T2263-E2305 PolarHBondContact OG1-OE2 3.25Å; F2274-E2305 VanDerWaalsContact CE1-OE1 3.24Å; F2274-E2305 WeakPolarHBondContact CE1-OE1 3.48Å; F2274-E2305 HydrophobicContact CZ-CG 4.39Å; F2274-E2305 VanDerWaalsContact CZ-OE1 3.31Å; F2274-E2305 WeakPolarHBondContact CZ-OE1 3.41Å; F2274-E2305 VanDerWaalsContact CZ-OE2 3.3Å; F2274-E2305 WeakPolarHBondContact CZ-OE2 3.39Å; C2301-E2305 PolarHBondContact O-N 3.26Å; E2302-E2305 PolarHBondContact O-N 3.15Å; E2305-L2307 PolarHBondContact O-N 2.99Å; E2305-N2308 PolarHBondContact O-N 2.85Å; E2305-V2309 WeakPolarHBondContact O-CG2 3.33Å; E2305-V2309 PolarHBondContact O-N 3.05Å
2306T84.6Confident79.2Confident28.4 Ų28.457.9 Ų57.917%0.17428%0.283CS..Hα-helixtrans-64.9-43.9178-54.30000112.2L2211 E2302 A2303 H2304 N2308 V2309 L2310L2211-T2306 HydrophobicContact CD1-CG2 4.02Å; L2211-T2306 HydrophobicContact CD2-CG2 4.06Å; E2302-T2306 WeakPolarHBondContact O-CB 3.32Å; E2302-T2306 PolarHBondContact O-N 3.11Å; E2302-T2306 VanDerWaalsContact O-N 3.11Å; E2302-T2306 PolarHBondContact O-OG1 3.21Å; A2303-T2306 PolarHBondContact O-N 3.16Å; H2304-T2306 VanDerWaalsContact C-N 3.34Å; H2304-T2306 PolarHBondContact O-N 3.05Å; T2306-N2308 VanDerWaalsContact C-N 3.33Å; T2306-N2308 PolarHBondContact O-N 3.27Å; T2306-V2309 PolarHBondContact O-N 3.06Å; T2306-L2310 HydrophobicContact CG2-CD1 4.21Å; T2306-L2310 WeakPolarHBondContact O-CG 3.41Å; T2306-L2310 PolarHBondContact O-N 3.08Å; T2306-L2310 VanDerWaalsContact O-N 3.11Å
2307L85.3Confident79.6Confident37 Ų3759.8 Ų59.819%0.19431%0.305CS..Hα-helixtrans-65.9-36.7178.4-74.4170.8000111.7A2303 H2304 E2305 V2309 L2310 M2311 F2318 L2320A2303-L2307 VanDerWaalsContact O-CB 3.26Å; A2303-L2307 WeakPolarHBondContact O-CB 3.25Å; A2303-L2307 WeakPolarHBondContact O-CD1 3.36Å; A2303-L2307 WeakPolarHBondContact O-CG 3.32Å; A2303-L2307 PolarHBondContact O-N 3.15Å; H2304-L2307 PolarHBondContact O-N 3.23Å; E2305-L2307 PolarHBondContact O-N 2.99Å; L2307-V2309 VanDerWaalsContact C-N 3.33Å; L2307-V2309 PolarHBondContact O-N 3.11Å; L2307-L2310 PolarHBondContact O-N 3.06Å; L2307-M2311 VanDerWaalsContact O-CB 3.27Å; L2307-M2311 WeakPolarHBondContact O-CB 3.21Å; L2307-M2311 WeakPolarHBondContact O-CG 3.12Å; L2307-M2311 PolarHBondContact O-N 3.31Å; L2307-F2318 HydrophobicContact CD2-CD2 3.88Å; L2307-F2318 HydrophobicContact CD2-CE1 4.32Å; L2307-F2318 HydrophobicContact CD2-CE2 3.23Å; L2307-F2318 HydrophobicContact CD2-CG 4.36Å; L2307-F2318 HydrophobicContact CD2-CZ 3.53Å; L2307-L2320 HydrophobicContact CD1-CD1 4.23Å; L2307-L2320 HydrophobicContact CD1-CD2 4.28Å; L2307-L2320 HydrophobicContact CD2-CD1 4.45Å; L2307-L2320 HydrophobicContact CD2-CD2 4.31Å; L2307-L2320 HydrophobicContact CD2-CG 4.45Å
2308N84.2Confident80Confident50.4 Ų50.463.6 Ų63.627%0.2732%0.322SS..Hα-helixtrans-61.9-43.5177.5-75.6-19.3000111.5H2304 E2305 T2306 M2311 Y2312H2304-N2308 PolarHBondContact CD2-ND2 2.78Å; H2304-N2308 VanDerWaalsContact CD2-ND2 3.28Å; H2304-N2308 PolarHBondContact CD2-OD1 3.01Å; H2304-N2308 PolarHBondContact CE1-ND2 3.03Å; H2304-N2308 VanDerWaalsContact CE1-ND2 3.33Å; H2304-N2308 PolarHBondContact CE1-OD1 2.92Å; H2304-N2308 PolarHBondContact ND1-ND2 2.99Å; H2304-N2308 PolarHBondContact NE2-ND2 3.06Å; H2304-N2308 PolarHBondContact NE2-OD1 3.03Å; H2304-N2308 VanDerWaalsContact O-CB 3.29Å; H2304-N2308 WeakPolarHBondContact O-CB 3.38Å; H2304-N2308 PolarHBondContact O-N 3.35Å; H2304-N2308 PolarHBondContact O-ND2 3.16Å; E2305-N2308 PolarHBondContact O-N 2.85Å; T2306-N2308 VanDerWaalsContact C-N 3.33Å; T2306-N2308 PolarHBondContact O-N 3.27Å; N2308-M2311 PolarHBondContact O-N 3.44Å; N2308-Y2312 HydrophobicContact CB-CD2 4.22Å; N2308-Y2312 WeakPolarHBondContact O-CB 3.19Å; N2308-Y2312 WeakPolarHBondContact O-CD2 3.2Å; N2308-Y2312 PolarHBondContact O-N 3Å; N2308-Y2312 WeakPolarHBondContact OD1-CE2 3.41Å
2309V82.4Confident80.3Confident18 Ų1868.2 Ų68.211%0.10934%0.344CS..Iπ-helixtrans-61.4-46.4174.1175.30000110.8L2211 E2305 T2306 L2307 M2311 E2313 G2314L2211-V2309 HydrophobicContact CB-CG1 4.45Å; L2211-V2309 HydrophobicContact CD2-CB 4.11Å; L2211-V2309 HydrophobicContact CD2-CG1 3.76Å; E2305-V2309 WeakPolarHBondContact O-CG2 3.33Å; E2305-V2309 PolarHBondContact O-N 3.05Å; T2306-V2309 PolarHBondContact O-N 3.06Å; L2307-V2309 VanDerWaalsContact C-N 3.33Å; L2307-V2309 PolarHBondContact O-N 3.11Å; V2309-M2311 PolarHBondContact O-N 3.23Å; V2309-E2313 WeakPolarHBondContact O-CA 3.47Å; V2309-E2313 WeakPolarHBondContact O-CB 3.25Å; V2309-E2313 PolarHBondContact O-N 3.08Å; V2309-E2313 VanDerWaalsContact O-N 3.11Å; V2309-G2314 PolarHBondContact O-N 3.16Å
2310L83.7Confident80.5Confident22.6 Ų22.670.7 Ų70.712%0.11836%0.356CS..Iπ-helixtrans-68.7-38.3-177.9-67.6172.8000113.5L2211 T2306 L2307 H2315 R2316 F2318L2211-L2310 HydrophobicContact CD2-CD1 4.46Å; L2211-L2310 HydrophobicContact CD2-CD2 3.83Å; L2211-L2310 HydrophobicContact CD2-CG 3.89Å; T2306-L2310 HydrophobicContact CG2-CD1 4.21Å; T2306-L2310 WeakPolarHBondContact O-CG 3.41Å; T2306-L2310 PolarHBondContact O-N 3.08Å; T2306-L2310 VanDerWaalsContact O-N 3.11Å; L2307-L2310 PolarHBondContact O-N 3.06Å; L2310-H2315 PolarHBondContact O-N 3.17Å; L2310-H2315 VanDerWaalsContact O-N 3.13Å; L2310-R2316 HydrophobicContact CD2-CB 4.35Å; L2310-R2316 PolarHBondContact O-N 2.99Å; L2310-F2318 HydrophobicContact CB-CD1 4.04Å; L2310-F2318 HydrophobicContact CB-CE1 4.27Å; L2310-F2318 HydrophobicContact CB-CG 4.45Å; L2310-F2318 HydrophobicContact CD1-CB 4.15Å; L2310-F2318 HydrophobicContact CD1-CD1 4.34Å; L2310-F2318 HydrophobicContact CD1-CD2 4.49Å; L2310-F2318 HydrophobicContact CD1-CG 4.21Å
2311M82.5Confident80.3Confident91.6 Ų91.671.4 Ų71.445%0.45137%0.368SS..Iπ-helixtrans-83.6-51.7-176-69.3-153.7-20.800113.3L2307 N2308 V2309 H2315 F2318L2307-M2311 VanDerWaalsContact O-CB 3.27Å; L2307-M2311 WeakPolarHBondContact O-CB 3.21Å; L2307-M2311 WeakPolarHBondContact O-CG 3.12Å; L2307-M2311 PolarHBondContact O-N 3.31Å; N2308-M2311 PolarHBondContact O-N 3.44Å; V2309-M2311 PolarHBondContact O-N 3.23Å; M2311-H2315 PolarHBondContact O-ND1 3.11Å; M2311-H2315 VanDerWaalsContact O-ND1 3.16Å; M2311-F2318 HydrophobicContact CG-CE1 3.62Å; M2311-F2318 HydrophobicContact CG-CZ 3.88Å; M2311-F2318 HydrophobicContact SD-CE1 4.15Å; M2311-F2318 HydrophobicContact SD-CZ 4.02Å
2312Y77.2Confident79.9Confident165.6 Ų165.672.4 Ų72.465%0.64938%0.382SS*.Iπ-helixtrans-89.7-37.8-171.1-65.7-74.2000112.8N2308 H2315N2308-Y2312 HydrophobicContact CB-CD2 4.22Å; N2308-Y2312 WeakPolarHBondContact O-CB 3.19Å; N2308-Y2312 WeakPolarHBondContact O-CD2 3.2Å; N2308-Y2312 PolarHBondContact O-N 3Å; N2308-Y2312 WeakPolarHBondContact OD1-CE2 3.41Å; Y2312-H2315 PolarHBondContact O-CE1 3.44Å
2313E70.2Confident79.4Confident117.8 Ų117.875.2 Ų75.255%0.5540%0.402SS*.Iπ-helixtrans-92.7-44.6-177.7-55.4179.1172.100111.7V2309V2309-E2313 WeakPolarHBondContact O-CA 3.47Å; V2309-E2313 WeakPolarHBondContact O-CB 3.25Å; V2309-E2313 PolarHBondContact O-N 3.08Å; V2309-E2313 VanDerWaalsContact O-N 3.11Å
2314G67.9Low78.7Confident20.2 Ų20.277.6 Ų77.621%0.20841%0.413CS..SBendtrans-89.4-25.5-17200000115.8V2309 R2316V2309-G2314 PolarHBondContact O-N 3.16Å; G2314-R2316 VanDerWaalsContact O-CG 3.27Å; G2314-R2316 WeakPolarHBondContact O-CG 3.35Å; G2314-R2316 PolarHBondContact O-N 3.18Å; G2314-R2316 VanDerWaalsContact O-N 3.08Å
2315H73.6Confident77.8Confident159 Ų15974 Ų7474%0.73641%0.406SS*.  trans43.436.8-167.2-62.9-46.5000113.4L2310 M2311 Y2312L2310-H2315 PolarHBondContact O-N 3.17Å; L2310-H2315 VanDerWaalsContact O-N 3.13Å; M2311-H2315 PolarHBondContact O-ND1 3.11Å; M2311-H2315 VanDerWaalsContact O-ND1 3.16Å; Y2312-H2315 PolarHBondContact O-CE1 3.44Å
2316R74.9Confident77.1Confident94.4 Ų94.472.1 Ų72.136%0.35640%0.398SS..  trans-95.4141.8-175.1-63.1-149.3-177.61775.2111N2213 L2310 G2314 F2318N2213-R2316 PolarHBondContact OD1-NH2 3.21Å; N2213-R2316 VanDerWaalsContact OD1-NH2 3.08Å; L2310-R2316 HydrophobicContact CD2-CB 4.35Å; L2310-R2316 PolarHBondContact O-N 2.99Å; G2314-R2316 VanDerWaalsContact O-CG 3.27Å; G2314-R2316 WeakPolarHBondContact O-CG 3.35Å; G2314-R2316 PolarHBondContact O-N 3.18Å; G2314-R2316 VanDerWaalsContact O-N 3.08Å; R2316-F2318 WeakPolarHBondContact O-CD1 3.33Å; R2316-F2318 PolarHBondContact O-N 2.99Å
2317P83.2Confident76.1Confident133.6 Ų133.673.5 Ų73.587%0.86842%0.418SS*.  trans-66.7133.8169.220-21.6000110
2318F83.7Confident75.2Confident80.4 Ų80.477.4 Ų77.435%0.35343%0.433SS..  trans-136.9163176.762.5-89.1000110.4L2307 L2310 M2311 R2316 L2320L2307-F2318 HydrophobicContact CD2-CD2 3.88Å; L2307-F2318 HydrophobicContact CD2-CE1 4.32Å; L2307-F2318 HydrophobicContact CD2-CE2 3.23Å; L2307-F2318 HydrophobicContact CD2-CG 4.36Å; L2307-F2318 HydrophobicContact CD2-CZ 3.53Å; L2310-F2318 HydrophobicContact CB-CD1 4.04Å; L2310-F2318 HydrophobicContact CB-CE1 4.27Å; L2310-F2318 HydrophobicContact CB-CG 4.45Å; L2310-F2318 HydrophobicContact CD1-CB 4.15Å; L2310-F2318 HydrophobicContact CD1-CD1 4.34Å; L2310-F2318 HydrophobicContact CD1-CD2 4.49Å; L2310-F2318 HydrophobicContact CD1-CG 4.21Å; M2311-F2318 HydrophobicContact CG-CE1 3.62Å; M2311-F2318 HydrophobicContact CG-CZ 3.88Å; M2311-F2318 HydrophobicContact SD-CE1 4.15Å; M2311-F2318 HydrophobicContact SD-CZ 4.02Å; R2316-F2318 WeakPolarHBondContact O-CD1 3.33Å; R2316-F2318 PolarHBondContact O-N 2.99Å; F2318-L2320 HydrophobicContact CD2-CB 4.42Å; F2318-L2320 HydrophobicContact CD2-CG 4.27Å; F2318-L2320 HydrophobicContact CE2-CB 4.37Å; F2318-L2320 HydrophobicContact CE2-CD1 4.34Å; F2318-L2320 HydrophobicContact CE2-CG 4.13Å
2319I83.2Confident74.4Confident122.6 Ų122.677.7 Ų77.763%0.62944%0.439SS*.  trans-119.9128.1175.2-61.6173.8000107.1I2197 A2321I2197-I2319 HydrophobicContact CD1-CB 4.43Å; I2197-I2319 HydrophobicContact CD1-CG2 4.03Å; I2319-A2321 HydrophobicContact CG2-CB 4.43Å
2320L81.6Confident73.8Confident72 Ų7281.3 Ų81.338%0.37745%0.451SS..  trans-99109.9172-135.2101.3000108.6L2307 F2318 K2328L2307-L2320 HydrophobicContact CD1-CD1 4.23Å; L2307-L2320 HydrophobicContact CD1-CD2 4.28Å; L2307-L2320 HydrophobicContact CD2-CD1 4.45Å; L2307-L2320 HydrophobicContact CD2-CD2 4.31Å; L2307-L2320 HydrophobicContact CD2-CG 4.45Å; F2318-L2320 HydrophobicContact CD2-CB 4.42Å; F2318-L2320 HydrophobicContact CD2-CG 4.27Å; F2318-L2320 HydrophobicContact CE2-CB 4.37Å; F2318-L2320 HydrophobicContact CE2-CD1 4.34Å; F2318-L2320 HydrophobicContact CE2-CG 4.13Å; L2320-K2328 HydrophobicContact CB-CB 4.16Å; L2320-K2328 HydrophobicContact CB-CD 4.17Å; L2320-K2328 HydrophobicContact CB-CG 4.49Å; L2320-K2328 HydrophobicContact CD1-CB 4.36Å; L2320-K2328 HydrophobicContact CD1-CD 3.82Å; L2320-K2328 HydrophobicContact CD2-CB 4.09Å; L2320-K2328 HydrophobicContact CD2-CD 3.61Å; L2320-K2328 VanDerWaalsContact CD2-CE 3.45Å; L2320-K2328 HydrophobicContact CD2-CG 4.36Å; L2320-K2328 HydrophobicContact CG-CB 3.85Å; L2320-K2328 HydrophobicContact CG-CD 3.88Å; L2320-K2328 HydrophobicContact CG-CG 4.31Å; L2320-K2328 WeakPolarHBondContact O-CD 3.29Å
2321A77.1Confident73.3Confident52.6 Ų52.680.6 Ų80.644%0.43545%0.448SS..  trans-110137.3-177.200000111I2197 I2319I2197-A2321 HydrophobicContact CD1-CB 3.98Å; I2197-A2321 HydrophobicContact CG1-CB 4.36Å; I2319-A2321 HydrophobicContact CG2-CB 4.43Å
2322G72.8Confident72.9Confident43.6 Ų43.677.6 Ų77.645%0.44944%0.436SS..  trans177.7168.7176.400000110.5
2323P70.4Confident72.9Confident78.2 Ų78.275.3 Ų75.351%0.50843%0.431SS..  trans-56.8151.1177-24.534.1000112.5G2325 C2326 Y2330P2323-G2325 PolarHBondContact O-N 3.41Å; P2323-C2326 PolarHBondContact O-N 3.25Å; P2323-C2326 PolarHBondContact O-SG 3.26Å; P2323-Y2330 HydrophobicContact CB-CD2 4.33Å; P2323-Y2330 HydrophobicContact CG-CD2 4.22Å
2324T67.7Low73.2Confident80.4 Ų80.474.2 Ų74.249%0.49343%0.434SS..THydrogen-bonded Turntrans-65.91391789.50000111.3C2326 T2387 D2683 R2686T2324-C2326 VanDerWaalsContact C-N 3.32Å; T2324-C2326 PolarHBondContact O-N 3.17Å; T2324-T2387 WeakPolarHBondContact O-CG2 3.48Å; T2324-D2683 WeakPolarHBondContact CG2-OD1 3.41Å; T2324-R2686 VanDerWaalsContact CB-NH1 3.28Å; T2324-R2686 PolarHBondContact O-NH1 3.26Å; T2324-R2686 PolarHBondContact OG1-NH1 3.14Å; T2324-R2686 PolarHBondContact OG1-NH2 3.41Å
2325G64.7Low73.7Confident34.2 Ų34.273.8 Ų73.835%0.35343%0.427SS..THydrogen-bonded Turntrans77.35.6176.600000116.5P2323 T2389P2323-G2325 PolarHBondContact O-N 3.41Å; G2325-T2389 PolarHBondContact O-OG1 3.14Å; G2325-T2389 VanDerWaalsContact O-OG1 3.13Å
2326C68.6Low74Confident11.2 Ų11.266.4 Ų66.48%0.07639%0.393CS..THydrogen-bonded Turntrans-92.9-7-178.372.90000115.7P2323 T2324 K2328 C2329 Y2330 P2388P2323-C2326 PolarHBondContact O-N 3.25Å; P2323-C2326 PolarHBondContact O-SG 3.26Å; T2324-C2326 VanDerWaalsContact C-N 3.32Å; T2324-C2326 PolarHBondContact O-N 3.17Å; C2326-K2328 VanDerWaalsContact C-N 3.32Å; C2326-K2328 VanDerWaalsContact SG-CA 3.55Å; C2326-K2328 PolarHBondContact SG-N 3.03Å; C2326-C2329 VanDerWaalsContact O-O 3.08Å; C2326-C2329 PolarHBondContact SG-O 3.28Å; C2326-Y2330 HydrophobicContact CB-CD2 3.88Å; C2326-Y2330 HydrophobicContact CB-CE2 4.41Å; C2326-Y2330 HydrophobicContact CB-CG 4.37Å; C2326-P2388 HydrophobicContact CB-CG 4.36Å
2327G62.8Low74.3Confident58.4 Ų58.464.1 Ų64.160%0.60239%0.386SS*.THydrogen-bonded Turntrans8413.5-167.300000113.8C2329G2327-C2329 VanDerWaalsContact C-N 3.31Å; G2327-C2329 PolarHBondContact O-N 3.03Å
2328K66.2Low74.1Confident118 Ų11860.6 Ų60.651%0.51336%0.36SS..SBendtrans71.711.5177.7-54.4177.2-128.4177.60116.3L2320 C2326L2320-K2328 HydrophobicContact CB-CB 4.16Å; L2320-K2328 HydrophobicContact CB-CD 4.17Å; L2320-K2328 HydrophobicContact CB-CG 4.49Å; L2320-K2328 HydrophobicContact CD1-CB 4.36Å; L2320-K2328 HydrophobicContact CD1-CD 3.82Å; L2320-K2328 HydrophobicContact CD2-CB 4.09Å; L2320-K2328 HydrophobicContact CD2-CD 3.61Å; L2320-K2328 VanDerWaalsContact CD2-CE 3.45Å; L2320-K2328 HydrophobicContact CD2-CG 4.36Å; L2320-K2328 HydrophobicContact CG-CB 3.85Å; L2320-K2328 HydrophobicContact CG-CD 3.88Å; L2320-K2328 HydrophobicContact CG-CG 4.31Å; L2320-K2328 WeakPolarHBondContact O-CD 3.29Å; C2326-K2328 VanDerWaalsContact C-N 3.32Å; C2326-K2328 VanDerWaalsContact SG-CA 3.55Å; C2326-K2328 PolarHBondContact SG-N 3.03Å
2329C67.7Low73.9Confident56.8 Ų56.857.4 Ų57.438%0.38435%0.346SS..SBendtrans-142.7138147.5-112.30000107.1T2299 C2326 G2327 P2331T2299-C2329 HydrophobicContact CG2-CB 3.48Å; T2299-C2329 VanDerWaalsContact CG2-SG 3.57Å; C2326-C2329 VanDerWaalsContact O-O 3.08Å; C2326-C2329 PolarHBondContact SG-O 3.28Å; G2327-C2329 VanDerWaalsContact C-N 3.31Å; G2327-C2329 PolarHBondContact O-N 3.03Å; C2329-P2331 VanDerWaalsContact O-CD 3.26Å; C2329-P2331 WeakPolarHBondContact O-CD 3.19Å
2330Y69.8Low73.8Confident94.4 Ų94.451.6 Ų51.637%0.3732%0.317SS..PPolyproline II helixtrans-73.5122-176.9-163.1-86.7000110.3P2323 C2326 L2336 M2371 I2375 P2388P2323-Y2330 HydrophobicContact CB-CD2 4.33Å; P2323-Y2330 HydrophobicContact CG-CD2 4.22Å; C2326-Y2330 HydrophobicContact CB-CD2 3.88Å; C2326-Y2330 HydrophobicContact CB-CE2 4.41Å; C2326-Y2330 HydrophobicContact CB-CG 4.37Å; Y2330-L2336 HydrophobicContact CE1-CD1 4.4Å; Y2330-M2371 WeakPolarHBondContact OH-CE 3.39Å; Y2330-I2375 VanDerWaalsContact OH-CD1 3.24Å; Y2330-I2375 WeakPolarHBondContact OH-CD1 3.27Å; Y2330-P2388 HydrophobicContact CE2-CG 4.38Å
2331P72.7Confident73.6Confident7 Ų748.5 Ų48.55%0.04530%0.301CS..PPolyproline II helixtrans-66.2139.2-179.910.4-10000110.7C2329 E2335 L2336 I2339 P2388C2329-P2331 VanDerWaalsContact O-CD 3.26Å; C2329-P2331 WeakPolarHBondContact O-CD 3.19Å; P2331-E2335 WeakPolarHBondContact CA-OE2 3.48Å; P2331-E2335 HydrophobicContact CB-CB 3.77Å; P2331-L2336 HydrophobicContact CB-CD2 4.06Å; P2331-L2336 HydrophobicContact CB-CG 4.11Å; P2331-L2336 HydrophobicContact CG-CD2 3.68Å; P2331-L2336 HydrophobicContact CG-CG 3.82Å; P2331-I2339 HydrophobicContact CB-CD1 3.97Å; P2331-I2339 HydrophobicContact CG-CD1 4.05Å; P2331-P2388 HydrophobicContact CG-CB 4.33Å; P2331-P2388 HydrophobicContact CG-CG 3.88Å
2332S74.9Confident73.7Confident28.8 Ų28.847.1 Ų47.120%0.20129%0.287CS..PPolyproline II helixtrans-65.8163.7169580000111.6R2235 P2334 E2335 L2336R2235-S2332 PolarHBondContact NH1-OG 3.09Å; R2235-S2332 PolarHBondContact NH2-OG 3.17Å; S2332-P2334 VanDerWaalsContact C-CD 3.48Å; S2332-P2334 VanDerWaalsContact C-N 3.35Å; S2332-P2334 WeakPolarHBondContact OG-CD 3.44Å; S2332-P2334 WeakPolarHBondContact OG-CG 3.37Å; S2332-E2335 WeakPolarHBondContact CB-OE1 3.26Å; S2332-E2335 WeakPolarHBondContact CB-OE2 3.36Å; S2332-E2335 PolarHBondContact N-OE2 3.01Å; S2332-E2335 CarbonylContact O-C 3.52Å; S2332-E2335 WeakPolarHBondContact O-CA 3.44Å; S2332-E2335 WeakPolarHBondContact O-CB 3.38Å; S2332-E2335 PolarHBondContact O-N 3.17Å; S2332-E2335 VanDerWaalsContact OG-CD 3.29Å; S2332-E2335 VanDerWaalsContact OG-CG 3.29Å; S2332-E2335 WeakPolarHBondContact OG-CG 3.35Å; S2332-E2335 PolarHBondContact OG-OE1 2.97Å; S2332-E2335 PolarHBondContact OG-OE2 3.16Å; S2332-L2336 WeakPolarHBondContact O-CG 3.44Å; S2332-L2336 PolarHBondContact O-N 3.41Å
2333E77Confident73.9Confident117 Ų11745.2 Ų45.255%0.54727%0.266SS..Hα-helixtrans-51.8-44.3177-167-179.1169.400113.8E2335 L2336 H2337 V2368 V2372E2333-E2335 VanDerWaalsContact C-N 3.32Å; E2333-E2335 PolarHBondContact O-N 3.21Å; E2333-L2336 WeakPolarHBondContact O-CB 3.35Å; E2333-L2336 PolarHBondContact O-N 3.17Å; E2333-H2337 PolarHBondContact O-N 3.05Å; E2333-V2368 HydrophobicContact CG-CG1 3.61Å; E2333-V2368 VanDerWaalsContact CG-CG1 3.46Å; E2333-V2372 HydrophobicContact CG-CG2 4.45Å
2334P77.1Confident74.3Confident95.2 Ų95.241.5 Ų41.562%0.61824%0.242SC*.Hα-helixtrans-65.4-33173.9-37.5000113.3S2332 H2337 L2338S2332-P2334 VanDerWaalsContact C-CD 3.48Å; S2332-P2334 VanDerWaalsContact C-N 3.35Å; S2332-P2334 WeakPolarHBondContact OG-CD 3.44Å; S2332-P2334 WeakPolarHBondContact OG-CG 3.37Å; P2334-H2337 WeakPolarHBondContact O-CB 3.46Å; P2334-H2337 PolarHBondContact O-N 3.02Å; P2334-L2338 WeakPolarHBondContact O-CB 3.43Å; P2334-L2338 PolarHBondContact O-N 3.02Å
2335E77.6Confident74.7Confident12.4 Ų12.440.7 Ų40.76%0.05823%0.231CC..Hα-helixtrans-71.9-37.7175.6-68.2170.5127.200111.5R2235 S2297 T2299 P2331 S2332 E2333 H2337 L2338 I2339R2235-E2335 IonicContact CZ-OE1 2.76Å; R2235-E2335 IonicContact CZ-OE2 3.4Å; R2235-E2335 IonicContact NH1-OE1 3Å; R2235-E2335 PolarHBondContact NH1-OE1 3.32Å; R2235-E2335 IonicContact NH1-OE2 3.4Å; R2235-E2335 PolarHBondContact NH1-OE2 3.11Å; R2235-E2335 IonicContact NH2-OE1 3.88Å; R2235-E2335 PolarHBondContact NH2-OE1 2.98Å; R2235-E2335 IonicContact NH2-OE2 3.35Å; S2297-E2335 WeakPolarHBondContact CB-OE1 3.34Å; S2297-E2335 PolarHBondContact OG-OE1 3.26Å; T2299-E2335 VanDerWaalsContact CB-OE1 3.28Å; T2299-E2335 WeakPolarHBondContact CB-OE1 3.37Å; T2299-E2335 WeakPolarHBondContact CB-OE2 3.12Å; T2299-E2335 WeakPolarHBondContact CG2-OE1 3.46Å; T2299-E2335 WeakPolarHBondContact CG2-OE2 3.38Å; T2299-E2335 PolarHBondContact N-OE1 3.06Å; T2299-E2335 VanDerWaalsContact OG1-CD 3.27Å; T2299-E2335 PolarHBondContact OG1-OE1 2.98Å; T2299-E2335 PolarHBondContact OG1-OE2 3.15Å; T2299-E2335 VanDerWaalsContact OG1-OE2 3.08Å; P2331-E2335 WeakPolarHBondContact CA-OE2 3.48Å; P2331-E2335 HydrophobicContact CB-CB 3.77Å; S2332-E2335 WeakPolarHBondContact CB-OE1 3.26Å; S2332-E2335 WeakPolarHBondContact CB-OE2 3.36Å; S2332-E2335 PolarHBondContact N-OE2 3.01Å; S2332-E2335 CarbonylContact O-C 3.52Å; S2332-E2335 WeakPolarHBondContact O-CA 3.44Å; S2332-E2335 WeakPolarHBondContact O-CB 3.38Å; S2332-E2335 PolarHBondContact O-N 3.17Å; S2332-E2335 VanDerWaalsContact OG-CD 3.29Å; S2332-E2335 VanDerWaalsContact OG-CG 3.29Å; S2332-E2335 WeakPolarHBondContact OG-CG 3.35Å; S2332-E2335 PolarHBondContact OG-OE1 2.97Å; S2332-E2335 PolarHBondContact OG-OE2 3.16Å; E2333-E2335 VanDerWaalsContact C-N 3.32Å; E2333-E2335 PolarHBondContact O-N 3.21Å; E2335-H2337 VanDerWaalsContact C-N 3.29Å; E2335-H2337 PolarHBondContact O-N 3.3Å; E2335-L2338 PolarHBondContact O-N 3.22Å; E2335-I2339 WeakPolarHBondContact O-CB 3.38Å; E2335-I2339 WeakPolarHBondContact O-CD1 3.21Å; E2335-I2339 WeakPolarHBondContact O-CG1 3.27Å; E2335-I2339 PolarHBondContact O-N 3.15Å
2336L79.4Confident75Confident3.8 Ų3.840.7 Ų40.72%0.0223%0.225CC..Hα-helixtrans-60.6-41.2171.6-72.8174.2000111.1Y2330 P2331 S2332 E2333 I2339 C2340 V2368 M2371 V2372 P2388 L2391Y2330-L2336 HydrophobicContact CE1-CD1 4.4Å; P2331-L2336 HydrophobicContact CB-CD2 4.06Å; P2331-L2336 HydrophobicContact CB-CG 4.11Å; P2331-L2336 HydrophobicContact CG-CD2 3.68Å; P2331-L2336 HydrophobicContact CG-CG 3.82Å; S2332-L2336 WeakPolarHBondContact O-CG 3.44Å; S2332-L2336 PolarHBondContact O-N 3.41Å; E2333-L2336 WeakPolarHBondContact O-CB 3.35Å; E2333-L2336 PolarHBondContact O-N 3.17Å; L2336-I2339 PolarHBondContact O-N 3.27Å; L2336-C2340 VanDerWaalsContact O-CB 3.3Å; L2336-C2340 WeakPolarHBondContact O-CB 3.4Å; L2336-C2340 PolarHBondContact O-N 3.39Å; L2336-V2368 HydrophobicContact CB-CG1 4.09Å; L2336-V2368 HydrophobicContact CB-CG2 3.92Å; L2336-V2368 HydrophobicContact CD1-CG1 4.4Å; L2336-M2371 HydrophobicContact CD1-SD 4.47Å; L2336-M2371 HydrophobicContact CD2-CE 4.38Å; L2336-M2371 HydrophobicContact CD2-SD 4.4Å; L2336-V2372 HydrophobicContact CD1-CG2 4.35Å; L2336-P2388 HydrophobicContact CD2-CB 3.95Å; L2336-P2388 HydrophobicContact CD2-CG 3.9Å; L2336-L2391 HydrophobicContact CB-CD2 4.4Å; L2336-L2391 HydrophobicContact CD2-CD2 4.09Å
2337H81.5Confident75.3Confident45.6 Ų45.641.1 Ų41.121%0.21123%0.228CC..Hα-helixtrans-61.4-47.2174.9-179.1-61.9000111.4E2333 P2334 E2335 I2339 C2340 T2341 D2361 S2365 V2368E2333-H2337 PolarHBondContact O-N 3.05Å; P2334-H2337 WeakPolarHBondContact O-CB 3.46Å; P2334-H2337 PolarHBondContact O-N 3.02Å; E2335-H2337 VanDerWaalsContact C-N 3.29Å; E2335-H2337 PolarHBondContact O-N 3.3Å; H2337-I2339 PolarHBondContact O-N 3.12Å; H2337-C2340 WeakPolarHBondContact O-CB 2.98Å; H2337-C2340 PolarHBondContact O-N 3.23Å; H2337-T2341 PolarHBondContact CE1-OG1 3.04Å; H2337-T2341 PolarHBondContact ND1-OG1 3.1Å; H2337-T2341 VanDerWaalsContact O-CB 3.29Å; H2337-T2341 WeakPolarHBondContact O-CB 3.35Å; H2337-T2341 PolarHBondContact O-N 3.12Å; H2337-T2341 PolarHBondContact O-OG1 3.1Å; H2337-T2341 VanDerWaalsContact O-OG1 3.14Å; H2337-D2361 PolarHBondContact CE1-O 3.2Å; H2337-D2361 VanDerWaalsContact CE1-O 3.24Å; H2337-D2361 IonicContact CE1-OD1 3.87Å; H2337-D2361 PolarHBondContact CE1-OD1 3.18Å; H2337-D2361 PolarHBondContact NE2-O 3.44Å; H2337-D2361 IonicContact NE2-OD1 3.32Å; H2337-D2361 PolarHBondContact NE2-OD1 3.12Å; H2337-D2361 IonicContact NE2-OD2 3.49Å; H2337-S2365 PolarHBondContact CD2-N 3.45Å; H2337-S2365 PolarHBondContact CD2-OG 3.3Å; H2337-S2365 PolarHBondContact CE1-OG 3.11Å; H2337-S2365 VanDerWaalsContact CE1-OG 3.28Å; H2337-S2365 PolarHBondContact ND1-N 3.44Å; H2337-S2365 PolarHBondContact ND1-OG 3.4Å; H2337-S2365 PolarHBondContact NE2-OG 3.11Å; H2337-S2365 VanDerWaalsContact NE2-OG 3.17Å; H2337-V2368 HydrophobicContact CB-CG2 4.26Å
2338L79.6Confident75.6Confident59.8 Ų59.838.6 Ų38.631%0.31320%0.2SC..Hα-helixtrans-59.4-46.3175.6178.364.3000112.1I2278 K2296 P2334 E2335 C2340 T2341 T2342I2278-L2338 HydrophobicContact CD1-CD1 4.25Å; I2278-L2338 HydrophobicContact CD1-CD2 4.1Å; I2278-L2338 HydrophobicContact CD1-CG 3.73Å; I2278-L2338 HydrophobicContact CG1-CD1 4.17Å; I2278-L2338 HydrophobicContact CG2-CD2 4.49Å; K2296-L2338 WeakPolarHBondContact O-CD2 3.28Å; P2334-L2338 WeakPolarHBondContact O-CB 3.43Å; P2334-L2338 PolarHBondContact O-N 3.02Å; E2335-L2338 PolarHBondContact O-N 3.22Å; L2338-C2340 VanDerWaalsContact C-N 3.34Å; L2338-C2340 PolarHBondContact O-N 3.08Å; L2338-T2341 WeakPolarHBondContact O-CB 3.31Å; L2338-T2341 PolarHBondContact O-N 3.09Å; L2338-T2342 WeakPolarHBondContact O-CB 3.45Å; L2338-T2342 PolarHBondContact O-N 3.09Å; L2338-T2342 PolarHBondContact O-OG1 3.01Å
2339I78.9Confident75.5Confident14 Ų1439.2 Ų39.27%0.07220%0.199CC..Hα-helixtrans-57.9-51.2176.7-69.9163.4000109.5A2295 P2331 E2335 L2336 H2337 T2341 T2342 F2343 P2388 L2391 I2392A2295-I2339 HydrophobicContact CB-CB 4.46Å; A2295-I2339 HydrophobicContact CB-CG1 4Å; A2295-I2339 HydrophobicContact CB-CG2 4.26Å; P2331-I2339 HydrophobicContact CB-CD1 3.97Å; P2331-I2339 HydrophobicContact CG-CD1 4.05Å; E2335-I2339 WeakPolarHBondContact O-CB 3.38Å; E2335-I2339 WeakPolarHBondContact O-CD1 3.21Å; E2335-I2339 WeakPolarHBondContact O-CG1 3.27Å; E2335-I2339 PolarHBondContact O-N 3.15Å; L2336-I2339 PolarHBondContact O-N 3.27Å; H2337-I2339 PolarHBondContact O-N 3.12Å; I2339-T2341 PolarHBondContact O-N 3.31Å; I2339-T2342 WeakPolarHBondContact O-CB 3.22Å; I2339-T2342 PolarHBondContact O-N 3.12Å; I2339-F2343 HydrophobicContact CG2-CD2 3.96Å; I2339-F2343 HydrophobicContact CG2-CE2 3.86Å; I2339-F2343 VanDerWaalsContact O-CD2 3.23Å; I2339-F2343 WeakPolarHBondContact O-CD2 3.31Å; I2339-F2343 PolarHBondContact O-N 3.03Å; I2339-F2343 VanDerWaalsContact O-N 3.1Å; I2339-P2388 HydrophobicContact CD1-CB 4.5Å; I2339-L2391 HydrophobicContact CG2-CD2 4.24Å; I2339-I2392 HydrophobicContact CG2-CD1 4.13Å; I2339-I2392 HydrophobicContact CG2-CG1 3.99Å
2340C80.7Confident75.1Confident0.2 Ų0.238.2 Ų38.20%0.00120%0.195CC..Hα-helixtrans-57.5-50179.3-164.80000111.8L2336 H2337 L2338 T2342 F2343 L2344 A2364 F2367 V2368 L2391L2336-C2340 VanDerWaalsContact O-CB 3.3Å; L2336-C2340 WeakPolarHBondContact O-CB 3.4Å; L2336-C2340 PolarHBondContact O-N 3.39Å; H2337-C2340 WeakPolarHBondContact O-CB 2.98Å; H2337-C2340 PolarHBondContact O-N 3.23Å; L2338-C2340 VanDerWaalsContact C-N 3.34Å; L2338-C2340 PolarHBondContact O-N 3.08Å; C2340-T2342 VanDerWaalsContact C-N 3.29Å; C2340-T2342 PolarHBondContact O-N 3.04Å; C2340-F2343 PolarHBondContact O-N 3.09Å; C2340-F2343 VanDerWaalsContact O-N 3.14Å; C2340-L2344 WeakPolarHBondContact O-CB 3.3Å; C2340-L2344 VanDerWaalsContact O-CG 3.31Å; C2340-L2344 WeakPolarHBondContact O-CG 3.26Å; C2340-L2344 PolarHBondContact O-N 3.3Å; C2340-L2344 VanDerWaalsContact SG-CD1 3.53Å; C2340-L2344 WeakPolarHBondContact SG-CD1 3.24Å; C2340-A2364 HydrophobicContact CB-CB 4.06Å; C2340-F2367 VanDerWaalsContact SG-CB 3.55Å; C2340-F2367 WeakPolarHBondContact SG-CB 3.17Å; C2340-F2367 VanDerWaalsContact SG-CD1 3.56Å; C2340-F2367 VanDerWaalsContact SG-CG 3.58Å; C2340-V2368 HydrophobicContact CB-CG2 4.44Å; C2340-L2391 HydrophobicContact CB-CD1 4.23Å; C2340-L2391 HydrophobicContact CB-CD2 3.66Å; C2340-L2391 VanDerWaalsContact CB-CD2 3.47Å; C2340-L2391 HydrophobicContact CB-CG 4.28Å
2341T79.2Confident74.4Confident7.8 Ų7.840 Ų405%0.04822%0.219CC..Hα-helixtrans-58.7-40178.5-63.30000111.9H2337 L2338 I2339 F2343 L2344 K2345 V2360 D2361 A2364H2337-T2341 PolarHBondContact CE1-OG1 3.04Å; H2337-T2341 PolarHBondContact ND1-OG1 3.1Å; H2337-T2341 VanDerWaalsContact O-CB 3.29Å; H2337-T2341 WeakPolarHBondContact O-CB 3.35Å; H2337-T2341 PolarHBondContact O-N 3.12Å; H2337-T2341 PolarHBondContact O-OG1 3.1Å; H2337-T2341 VanDerWaalsContact O-OG1 3.14Å; L2338-T2341 WeakPolarHBondContact O-CB 3.31Å; L2338-T2341 PolarHBondContact O-N 3.09Å; I2339-T2341 PolarHBondContact O-N 3.31Å; T2341-F2343 VanDerWaalsContact C-N 3.32Å; T2341-F2343 PolarHBondContact O-N 3.17Å; T2341-L2344 PolarHBondContact O-N 2.92Å; T2341-K2345 HydrophobicContact CG2-CD 4.09Å; T2341-K2345 VanDerWaalsContact CG2-CE 3.5Å; T2341-K2345 HydrophobicContact CG2-CG 4.31Å; T2341-K2345 WeakPolarHBondContact O-CB 3.34Å; T2341-K2345 VanDerWaalsContact O-CG 3.29Å; T2341-K2345 WeakPolarHBondContact O-CG 3.29Å; T2341-K2345 PolarHBondContact O-N 3.02Å; T2341-V2360 HydrophobicContact CG2-CG1 4.04Å; T2341-D2361 WeakPolarHBondContact CG2-OD1 2.89Å; T2341-D2361 PolarHBondContact OG1-OD1 3.46Å; T2341-A2364 VanDerWaalsContact OG1-CB 3.26Å; T2341-A2364 WeakPolarHBondContact OG1-CB 3.37Å
2342T78.1Confident73.3Confident22.2 Ų22.242.8 Ų42.814%0.13624%0.238CC..Hα-helixtrans-61.6-41177.5-60.20000112I2278 I2283 A2295 L2338 I2339 C2340 P2346I2278-T2342 VanDerWaalsContact CD1-OG1 3.28Å; I2278-T2342 WeakPolarHBondContact CD1-OG1 3.38Å; I2278-T2342 HydrophobicContact CG2-CG2 3.67Å; I2283-T2342 HydrophobicContact CD1-CG2 4.03Å; A2295-T2342 HydrophobicContact CB-CG2 4.19Å; L2338-T2342 WeakPolarHBondContact O-CB 3.45Å; L2338-T2342 PolarHBondContact O-N 3.09Å; L2338-T2342 PolarHBondContact O-OG1 3.01Å; I2339-T2342 WeakPolarHBondContact O-CB 3.22Å; I2339-T2342 PolarHBondContact O-N 3.12Å; C2340-T2342 VanDerWaalsContact C-N 3.29Å; C2340-T2342 PolarHBondContact O-N 3.04Å; T2342-P2346 WeakPolarHBondContact O-CD 3.34Å
2343F78.1Confident72.4Confident3.6 Ų3.642 Ų422%0.01623%0.231CC..Hα-helixtrans-83.1-29.6179.1-71.1-70.2000113.7I2283 V2286 V2292 P2293 A2295 I2339 C2340 T2341 P2346 V2347 I2392 A2395 L2396I2283-F2343 HydrophobicContact CD1-CD1 4.11Å; I2283-F2343 HydrophobicContact CD1-CE1 3.97Å; I2283-F2343 HydrophobicContact CD1-CZ 4.14Å; V2286-F2343 HydrophobicContact CG1-CD1 4.36Å; V2292-F2343 HydrophobicContact CG1-CE1 3.89Å; V2292-F2343 HydrophobicContact CG1-CZ 3.77Å; P2293-F2343 HydrophobicContact CB-CE1 4.08Å; P2293-F2343 HydrophobicContact CB-CZ 4.24Å; P2293-F2343 HydrophobicContact CG-CD1 4.28Å; P2293-F2343 HydrophobicContact CG-CE1 3.86Å; P2293-F2343 VanDerWaalsContact CG-CE1 3.41Å; P2293-F2343 HydrophobicContact CG-CZ 4Å; P2293-F2343 VanDerWaalsContact O-CZ 3.23Å; P2293-F2343 WeakPolarHBondContact O-CZ 3.35Å; A2295-F2343 HydrophobicContact CB-CE2 4.15Å; A2295-F2343 HydrophobicContact CB-CZ 4.02Å; I2339-F2343 HydrophobicContact CG2-CD2 3.96Å; I2339-F2343 HydrophobicContact CG2-CE2 3.86Å; I2339-F2343 VanDerWaalsContact O-CD2 3.23Å; I2339-F2343 WeakPolarHBondContact O-CD2 3.31Å; I2339-F2343 PolarHBondContact O-N 3.03Å; I2339-F2343 VanDerWaalsContact O-N 3.1Å; C2340-F2343 PolarHBondContact O-N 3.09Å; C2340-F2343 VanDerWaalsContact O-N 3.14Å; T2341-F2343 VanDerWaalsContact C-N 3.32Å; T2341-F2343 PolarHBondContact O-N 3.17Å; F2343-P2346 WeakPolarHBondContact O-CD 3.19Å; F2343-V2347 WeakPolarHBondContact O-CG2 3.36Å; F2343-I2392 HydrophobicContact CD1-CG2 4.14Å; F2343-I2392 HydrophobicContact CD2-CB 4.25Å; F2343-I2392 HydrophobicContact CD2-CD1 4.24Å; F2343-I2392 HydrophobicContact CD2-CG1 3.81Å; F2343-I2392 HydrophobicContact CD2-CG2 4.04Å; F2343-I2392 HydrophobicContact CE1-CG2 4.08Å; F2343-I2392 HydrophobicContact CE2-CB 4.35Å; F2343-I2392 HydrophobicContact CE2-CD1 3.71Å; F2343-I2392 HydrophobicContact CE2-CG1 3.69Å; F2343-I2392 HydrophobicContact CE2-CG2 4.02Å; F2343-I2392 HydrophobicContact CG-CG1 4.39Å; F2343-I2392 HydrophobicContact CG-CG2 4.05Å; F2343-I2392 HydrophobicContact CZ-CD1 4.22Å; F2343-I2392 HydrophobicContact CZ-CG1 4.2Å; F2343-I2392 HydrophobicContact CZ-CG2 4.08Å; F2343-A2395 HydrophobicContact CB-CB 4.09Å; F2343-L2396 HydrophobicContact CB-CD2 4.13Å; F2343-L2396 HydrophobicContact CB-CG 4.27Å; F2343-L2396 HydrophobicContact CD1-CD1 4.29Å; F2343-L2396 HydrophobicContact CD1-CD2 4.09Å; F2343-L2396 HydrophobicContact CD1-CG 4.42Å; F2343-L2396 HydrophobicContact CG-CD2 4.27Å
2344L78Confident71.4Confident0.4 Ų0.439.6 Ų39.60%0.00223%0.231CC..Hα-helixtrans-73.8-36.5176.9-75.6174.4000112.7C2340 T2341 V2347 L2348 V2360 I2363 A2364 F2367 A2395 L2398C2340-L2344 WeakPolarHBondContact O-CB 3.3Å; C2340-L2344 VanDerWaalsContact O-CG 3.31Å; C2340-L2344 WeakPolarHBondContact O-CG 3.26Å; C2340-L2344 PolarHBondContact O-N 3.3Å; C2340-L2344 VanDerWaalsContact SG-CD1 3.53Å; C2340-L2344 WeakPolarHBondContact SG-CD1 3.24Å; T2341-L2344 PolarHBondContact O-N 2.92Å; L2344-V2347 PolarHBondContact O-N 3.29Å; L2344-V2347 VanDerWaalsContact O-N 3.15Å; L2344-L2348 HydrophobicContact CB-CD1 4.26Å; L2344-L2348 WeakPolarHBondContact O-CB 3.25Å; L2344-L2348 WeakPolarHBondContact O-CG 3.25Å; L2344-L2348 PolarHBondContact O-N 3.03Å; L2344-V2360 HydrophobicContact CB-CG1 4.15Å; L2344-I2363 HydrophobicContact CD1-CB 4.42Å; L2344-I2363 HydrophobicContact CD1-CG2 3.97Å; L2344-A2364 HydrophobicContact CD1-CB 4.16Å; L2344-F2367 HydrophobicContact CD1-CD2 4.32Å; L2344-F2367 HydrophobicContact CD1-CE2 4.1Å; L2344-F2367 HydrophobicContact CD1-CZ 4.46Å; L2344-F2367 HydrophobicContact CD2-CE1 4.45Å; L2344-F2367 HydrophobicContact CD2-CE2 4.19Å; L2344-F2367 HydrophobicContact CD2-CZ 3.92Å; L2344-A2395 HydrophobicContact CD2-CB 3.74Å; L2344-A2395 HydrophobicContact CG-CB 3.96Å; L2344-L2398 HydrophobicContact CD2-CD1 3.99Å
2345K76.1Confident70.4Confident63 Ų6344.2 Ų44.227%0.27424%0.242SC..Hα-helixtrans-52.7-51-178.5-86.4174.2177.9175.40113.1I2278 E2280 T2341 V2347 L2348 R2349 V2360I2278-K2345 HydrophobicContact CG2-CD 4.25Å; E2280-K2345 IonicContact OE1-NZ 3.21Å; E2280-K2345 PolarHBondContact OE1-NZ 3.02Å; T2341-K2345 HydrophobicContact CG2-CD 4.09Å; T2341-K2345 VanDerWaalsContact CG2-CE 3.5Å; T2341-K2345 HydrophobicContact CG2-CG 4.31Å; T2341-K2345 WeakPolarHBondContact O-CB 3.34Å; T2341-K2345 VanDerWaalsContact O-CG 3.29Å; T2341-K2345 WeakPolarHBondContact O-CG 3.29Å; T2341-K2345 PolarHBondContact O-N 3.02Å; K2345-V2347 PolarHBondContact O-N 2.85Å; K2345-L2348 PolarHBondContact O-N 3.19Å; K2345-R2349 WeakPolarHBondContact O-CB 3.12Å; K2345-R2349 VanDerWaalsContact O-CG 3.29Å; K2345-R2349 WeakPolarHBondContact O-CG 3.27Å; K2345-R2349 PolarHBondContact O-N 3.13Å; K2345-R2349 VanDerWaalsContact O-N 3.12Å; K2345-V2360 HydrophobicContact CG-CG1 4.29Å
2346P71.7Confident69.4Low34.2 Ų34.244.5 Ų44.522%0.22224%0.244CC..Hα-helixtrans-63.9-40.3176.6-21.931.8000113.3F2282 I2283 P2284 V2286 T2342 F2343 L2348 R2349F2282-P2346 HydrophobicContact CB-CG 4.38Å; I2283-P2346 HydrophobicContact CB-CG 4.08Å; I2283-P2346 HydrophobicContact CD1-CG 3.41Å; I2283-P2346 VanDerWaalsContact CD1-CG 3.41Å; I2283-P2346 HydrophobicContact CG2-CG 4.16Å; P2284-P2346 HydrophobicContact CG-CB 3.66Å; P2284-P2346 HydrophobicContact CG-CG 4.13Å; V2286-P2346 HydrophobicContact CG2-CB 3.84Å; V2286-P2346 HydrophobicContact CG2-CG 4.14Å; T2342-P2346 WeakPolarHBondContact O-CD 3.34Å; F2343-P2346 WeakPolarHBondContact O-CD 3.19Å; P2346-L2348 VanDerWaalsContact C-N 3.31Å; P2346-L2348 PolarHBondContact O-N 3.15Å; P2346-R2349 PolarHBondContact O-N 3.23Å
2347V73.1Confident68.5Low20.6 Ų20.647.2 Ų47.213%0.12526%0.26CS..Hα-helixtrans-64.3-39.9-178.9175.50000111.1F2343 L2344 K2345 A2350 L2396 L2398F2343-V2347 WeakPolarHBondContact O-CG2 3.36Å; L2344-V2347 PolarHBondContact O-N 3.29Å; L2344-V2347 VanDerWaalsContact O-N 3.15Å; K2345-V2347 PolarHBondContact O-N 2.85Å; V2347-A2350 WeakPolarHBondContact O-CB 3.39Å; V2347-A2350 PolarHBondContact O-N 3.35Å; V2347-L2396 HydrophobicContact CG2-CD2 4.15Å; V2347-L2398 HydrophobicContact CG1-CB 3.97Å
2348L70.1Confident67.5Low5.2 Ų5.254 Ų543%0.02729%0.292CS..Hα-helixtrans-83.1-14.3-179.7-64.4173.9000114L2344 K2345 P2346 A2350 V2353 A2354 V2357 V2360 I2363 L2411L2344-L2348 HydrophobicContact CB-CD1 4.26Å; L2344-L2348 WeakPolarHBondContact O-CB 3.25Å; L2344-L2348 WeakPolarHBondContact O-CG 3.25Å; L2344-L2348 PolarHBondContact O-N 3.03Å; K2345-L2348 PolarHBondContact O-N 3.19Å; P2346-L2348 VanDerWaalsContact C-N 3.31Å; P2346-L2348 PolarHBondContact O-N 3.15Å; L2348-A2350 VanDerWaalsContact C-N 3.25Å; L2348-A2350 PolarHBondContact O-N 3.31Å; L2348-V2353 HydrophobicContact CB-CG1 4.46Å; L2348-V2353 HydrophobicContact CD2-CB 4.43Å; L2348-V2353 HydrophobicContact CD2-CG1 3.83Å; L2348-V2353 CarbonylContact O-C 3.55Å; L2348-V2353 WeakPolarHBondContact O-CB 3.03Å; L2348-A2354 VanDerWaalsContact O-CA 3.3Å; L2348-A2354 WeakPolarHBondContact O-CA 3.25Å; L2348-A2354 PolarHBondContact O-N 3.38Å; L2348-V2357 HydrophobicContact CB-CG2 4.16Å; L2348-V2357 WeakPolarHBondContact O-CG2 3.32Å; L2348-V2360 HydrophobicContact CD1-CB 4.34Å; L2348-V2360 HydrophobicContact CD1-CG1 4.41Å; L2348-V2360 HydrophobicContact CD1-CG2 3.63Å; L2348-V2360 VanDerWaalsContact CD1-CG2 3.45Å; L2348-I2363 HydrophobicContact CD1-CD1 4.17Å; L2348-L2411 HydrophobicContact CD2-CD1 4.33Å; L2348-L2411 HydrophobicContact CD2-CD2 3.87Å
2349R63.2Low66.8Low130.4 Ų130.453.4 Ų53.449%0.49229%0.293SS..THydrogen-bonded Turntrans-74.2-6.3172.9-82.8176.9-177.91701.1113.5E2280 F2282 K2345 P2346 V2357E2280-R2349 VanDerWaalsContact CD-NH2 3.32Å; E2280-R2349 IonicContact OE1-CZ 3.57Å; E2280-R2349 IonicContact OE1-NH1 2.73Å; E2280-R2349 IonicContact OE1-NH2 3.79Å; E2280-R2349 PolarHBondContact OE1-NH2 3.01Å; E2280-R2349 IonicContact OE2-CZ 3.22Å; E2280-R2349 VanDerWaalsContact OE2-CZ 3.28Å; E2280-R2349 IonicContact OE2-NH1 3.33Å; E2280-R2349 PolarHBondContact OE2-NH1 3.44Å; E2280-R2349 IonicContact OE2-NH2 3.93Å; E2280-R2349 PolarHBondContact OE2-NH2 3.01Å; F2282-R2349 VanDerWaalsContact CE2-NH1 3.29Å; F2282-R2349 VanDerWaalsContact CZ-NH2 3.26Å; K2345-R2349 WeakPolarHBondContact O-CB 3.12Å; K2345-R2349 VanDerWaalsContact O-CG 3.29Å; K2345-R2349 WeakPolarHBondContact O-CG 3.27Å; K2345-R2349 PolarHBondContact O-N 3.13Å; K2345-R2349 VanDerWaalsContact O-N 3.12Å; P2346-R2349 PolarHBondContact O-N 3.23Å; R2349-V2357 HydrophobicContact CG-CG2 4.35Å
2350A60.5Low66.3Low36 Ų3652.9 Ų52.930%0.29829%0.291SS..SBendtrans-54.6142.1171.300000110.7V2347 L2348 C2352 V2353 A2354V2347-A2350 WeakPolarHBondContact O-CB 3.39Å; V2347-A2350 PolarHBondContact O-N 3.35Å; L2348-A2350 VanDerWaalsContact C-N 3.25Å; L2348-A2350 PolarHBondContact O-N 3.31Å; A2350-C2352 PolarHBondContact O-N 3.16Å; A2350-V2353 HydrophobicContact CB-CG2 4.28Å; A2350-V2353 PolarHBondContact O-N 3Å; A2350-A2354 PolarHBondContact O-N 2.93Å
2351P53.8Low65.8Low132.8 Ų132.857.4 Ų57.486%0.86231%0.314SS*.THydrogen-bonded Turntrans-56.5-22.2-165.6-8.97.9000115.6V2353P2351-V2353 VanDerWaalsContact C-N 3.3Å; P2351-V2353 PolarHBondContact O-N 3.13Å
2352C51.1Low65.4Low66.2 Ų66.258.7 Ų58.745%0.44733%0.326SS..THydrogen-bonded Turntrans-80.5-13.4-177.532.50000114.6A2350 G2406A2350-C2352 PolarHBondContact O-N 3.16Å; C2352-G2406 WeakPolarHBondContact O-CA 2.89Å
2353V55.7Low64.9Low11.2 Ų11.259 Ų597%0.06833%0.327CS..THydrogen-bonded Turntrans-13010.6-167.8-139.30000114.1L2348 A2350 P2351 K2355 L2356 N2403 L2411L2348-V2353 HydrophobicContact CB-CG1 4.46Å; L2348-V2353 HydrophobicContact CD2-CB 4.43Å; L2348-V2353 HydrophobicContact CD2-CG1 3.83Å; L2348-V2353 CarbonylContact O-C 3.55Å; L2348-V2353 WeakPolarHBondContact O-CB 3.03Å; A2350-V2353 HydrophobicContact CB-CG2 4.28Å; A2350-V2353 PolarHBondContact O-N 3Å; P2351-V2353 VanDerWaalsContact C-N 3.3Å; P2351-V2353 PolarHBondContact O-N 3.13Å; V2353-K2355 PolarHBondContact O-N 3.06Å; V2353-L2356 HydrophobicContact CB-CD1 4.35Å; V2353-L2356 HydrophobicContact CG1-CB 3.85Å; V2353-L2356 HydrophobicContact CG1-CD1 3.62Å; V2353-L2356 HydrophobicContact CG1-CG 4.17Å; V2353-L2356 VanDerWaalsContact O-CB 3.31Å; V2353-L2356 WeakPolarHBondContact O-CB 3.32Å; V2353-L2356 PolarHBondContact O-N 3.2Å; V2353-L2356 VanDerWaalsContact O-N 3.1Å; V2353-N2403 WeakPolarHBondContact CG1-ND2 3.1Å; V2353-L2411 HydrophobicContact CG1-CD1 4.21Å; V2353-L2411 HydrophobicContact CG1-CD2 4.01Å; V2353-L2411 HydrophobicContact CG1-CG 4.38Å
2354A55.4Low64.7Low66 Ų6658.8 Ų58.855%0.54533%0.326SS..G310 helixtrans-55-26.1-174.400000115.4L2348 A2350 L2356 V2357L2348-A2354 VanDerWaalsContact O-CA 3.3Å; L2348-A2354 WeakPolarHBondContact O-CA 3.25Å; L2348-A2354 PolarHBondContact O-N 3.38Å; A2350-A2354 PolarHBondContact O-N 2.93Å; A2354-L2356 PolarHBondContact O-N 3.32Å; A2354-V2357 WeakPolarHBondContact O-CB 3.2Å; A2354-V2357 WeakPolarHBondContact O-CG2 3.42Å; A2354-V2357 PolarHBondContact O-N 2.87Å
2355K56.3Low64.6Low193.4 Ų193.460.6 Ų60.684%0.84134%0.339SS*.G310 helixtrans-69.8-23.1175.6-72.1-177.5179.9176.80113.6V2353 V2357V2353-K2355 PolarHBondContact O-N 3.06Å; K2355-V2357 VanDerWaalsContact C-N 3.34Å
2356L57Low64.4Low18.2 Ų18.258.1 Ų58.110%0.09533%0.329CS..G310 helixtrans-89.5-3.9-176.4-73.2161.2000113.4V2353 A2354 Q2358 S2359 V2360 I2363 L2408 L2411V2353-L2356 HydrophobicContact CB-CD1 4.35Å; V2353-L2356 HydrophobicContact CG1-CB 3.85Å; V2353-L2356 HydrophobicContact CG1-CD1 3.62Å; V2353-L2356 HydrophobicContact CG1-CG 4.17Å; V2353-L2356 VanDerWaalsContact O-CB 3.31Å; V2353-L2356 WeakPolarHBondContact O-CB 3.32Å; V2353-L2356 PolarHBondContact O-N 3.2Å; V2353-L2356 VanDerWaalsContact O-N 3.1Å; A2354-L2356 PolarHBondContact O-N 3.32Å; L2356-Q2358 PolarHBondContact O-N 3.19Å; L2356-Q2358 VanDerWaalsContact O-N 3.13Å; L2356-S2359 CarbonylContact O-C 3.55Å; L2356-S2359 WeakPolarHBondContact O-CA 3.12Å; L2356-S2359 PolarHBondContact O-N 3.13Å; L2356-V2360 WeakPolarHBondContact O-CG2 3.46Å; L2356-V2360 PolarHBondContact O-N 3.24Å; L2356-I2363 HydrophobicContact CD2-CD1 3.83Å; L2356-L2408 HydrophobicContact CD1-CB 4.27Å; L2356-L2408 HydrophobicContact CD1-CD1 3.96Å; L2356-L2408 HydrophobicContact CD1-CG 4.01Å; L2356-L2408 HydrophobicContact CD2-CB 4.16Å; L2356-L2408 HydrophobicContact CD2-CD1 3.6Å; L2356-L2408 HydrophobicContact CD2-CD2 4.35Å; L2356-L2408 HydrophobicContact CD2-CG 4.18Å; L2356-L2408 HydrophobicContact CG-CD1 4.19Å; L2356-L2408 HydrophobicContact CG-CG 4.43Å; L2356-L2411 HydrophobicContact CD1-CB 4.39Å; L2356-L2411 HydrophobicContact CD1-CD2 3.6Å; L2356-L2411 HydrophobicContact CD1-CG 4.45Å; L2356-L2411 HydrophobicContact CD2-CD2 4.14Å; L2356-L2411 HydrophobicContact CG-CD2 4.5Å
2357V59.3Low64.5Low61.2 Ų61.256.4 Ų56.437%0.37132%0.318SS..G310 helixtrans-57.7-27.2173.3178.40000111.4L2348 R2349 A2354 K2355 S2359 V2360L2348-V2357 HydrophobicContact CB-CG2 4.16Å; L2348-V2357 WeakPolarHBondContact O-CG2 3.32Å; R2349-V2357 HydrophobicContact CG-CG2 4.35Å; A2354-V2357 WeakPolarHBondContact O-CB 3.2Å; A2354-V2357 WeakPolarHBondContact O-CG2 3.42Å; A2354-V2357 PolarHBondContact O-N 2.87Å; K2355-V2357 VanDerWaalsContact C-N 3.34Å; V2357-S2359 VanDerWaalsContact C-N 3.28Å; V2357-S2359 PolarHBondContact O-N 3.28Å; V2357-V2360 HydrophobicContact CB-CG2 4.46Å; V2357-V2360 HydrophobicContact CG1-CG2 4.27Å; V2357-V2360 WeakPolarHBondContact O-CG2 3.3Å; V2357-V2360 PolarHBondContact O-N 3.32Å
2358Q60.9Low64.7Low186.8 Ų186.855.6 Ų55.687%0.87331%0.313SS*.G310 helixtrans-71.7-17.9175-65.9-176.7-12.400113.8L2356L2356-Q2358 PolarHBondContact O-N 3.19Å; L2356-Q2358 VanDerWaalsContact O-N 3.13Å
2359S66Low65Low47.6 Ų47.659.9 Ų59.933%0.33333%0.329SS..G310 helixtrans-105.95.7-178.5-52.70000113.1L2356 V2357 D2361 A2362 I2363L2356-S2359 CarbonylContact O-C 3.55Å; L2356-S2359 WeakPolarHBondContact O-CA 3.12Å; L2356-S2359 PolarHBondContact O-N 3.13Å; V2357-S2359 VanDerWaalsContact C-N 3.28Å; V2357-S2359 PolarHBondContact O-N 3.28Å; S2359-D2361 VanDerWaalsContact C-N 3.28Å; S2359-D2361 PolarHBondContact O-N 3.02Å; S2359-D2361 VanDerWaalsContact O-N 3.15Å; S2359-A2362 PolarHBondContact O-N 3.17Å; S2359-A2362 VanDerWaalsContact O-N 3.15Å; S2359-I2363 WeakPolarHBondContact O-CG1 3.34Å; S2359-I2363 PolarHBondContact O-N 3.06Å
2360V68.5Low65.2Low4.6 Ų4.653.7 Ų53.73%0.02831%0.306CS..Hα-helixtrans-56.3-41.6-176.7178.30000111.4T2341 L2344 K2345 L2348 L2356 V2357 A2362 I2363 A2364T2341-V2360 HydrophobicContact CG2-CG1 4.04Å; L2344-V2360 HydrophobicContact CB-CG1 4.15Å; K2345-V2360 HydrophobicContact CG-CG1 4.29Å; L2348-V2360 HydrophobicContact CD1-CB 4.34Å; L2348-V2360 HydrophobicContact CD1-CG1 4.41Å; L2348-V2360 HydrophobicContact CD1-CG2 3.63Å; L2348-V2360 VanDerWaalsContact CD1-CG2 3.45Å; L2356-V2360 WeakPolarHBondContact O-CG2 3.46Å; L2356-V2360 PolarHBondContact O-N 3.24Å; V2357-V2360 HydrophobicContact CB-CG2 4.46Å; V2357-V2360 HydrophobicContact CG1-CG2 4.27Å; V2357-V2360 WeakPolarHBondContact O-CG2 3.3Å; V2357-V2360 PolarHBondContact O-N 3.32Å; V2360-A2362 PolarHBondContact O-N 3.34Å; V2360-I2363 CarbonylContact O-C 3.59Å; V2360-I2363 PolarHBondContact O-N 3.17Å; V2360-A2364 VanDerWaalsContact O-CB 3.29Å; V2360-A2364 WeakPolarHBondContact O-CB 3.24Å; V2360-A2364 PolarHBondContact O-N 3.12Å
2361D70.1Confident65.8Low93.2 Ų93.252.1 Ų52.150%0.49829%0.292SS..Hα-helixtrans-68.8-36.7-178.2-80.7-6.7000112.4H2337 T2341 S2359 I2363 A2364 S2365H2337-D2361 PolarHBondContact CE1-O 3.2Å; H2337-D2361 VanDerWaalsContact CE1-O 3.24Å; H2337-D2361 IonicContact CE1-OD1 3.87Å; H2337-D2361 PolarHBondContact CE1-OD1 3.18Å; H2337-D2361 PolarHBondContact NE2-O 3.44Å; H2337-D2361 IonicContact NE2-OD1 3.32Å; H2337-D2361 PolarHBondContact NE2-OD1 3.12Å; H2337-D2361 IonicContact NE2-OD2 3.49Å; T2341-D2361 WeakPolarHBondContact CG2-OD1 2.89Å; T2341-D2361 PolarHBondContact OG1-OD1 3.46Å; S2359-D2361 VanDerWaalsContact C-N 3.28Å; S2359-D2361 PolarHBondContact O-N 3.02Å; S2359-D2361 VanDerWaalsContact O-N 3.15Å; D2361-I2363 VanDerWaalsContact C-N 3.34Å; D2361-A2364 PolarHBondContact O-N 3.08Å; D2361-S2365 VanDerWaalsContact O-CB 3.31Å; D2361-S2365 WeakPolarHBondContact O-CB 3.31Å; D2361-S2365 PolarHBondContact O-N 3.03Å; D2361-S2365 PolarHBondContact O-OG 2.95Å
2362A69.6Low66.6Low36 Ų3648.3 Ų48.330%0.29827%0.266SS..Hα-helixtrans-66.4-42.7173.800000110.9S2359 V2360 S2365 S2366S2359-A2362 PolarHBondContact O-N 3.17Å; S2359-A2362 VanDerWaalsContact O-N 3.15Å; V2360-A2362 PolarHBondContact O-N 3.34Å; A2362-S2365 WeakPolarHBondContact O-CB 3.33Å; A2362-S2365 PolarHBondContact O-N 2.94Å; A2362-S2366 WeakPolarHBondContact O-CB 3.44Å; A2362-S2366 PolarHBondContact O-N 3.17Å
2363I69.3Low67.4Low27.8 Ų27.847.2 Ų47.214%0.14326%0.259CS..Hα-helixtrans-63.8-48.6174.8-63.8167.6000110.2L2344 L2348 L2356 S2359 V2360 D2361 S2365 S2366 F2367L2344-I2363 HydrophobicContact CD1-CB 4.42Å; L2344-I2363 HydrophobicContact CD1-CG2 3.97Å; L2348-I2363 HydrophobicContact CD1-CD1 4.17Å; L2356-I2363 HydrophobicContact CD2-CD1 3.83Å; S2359-I2363 WeakPolarHBondContact O-CG1 3.34Å; S2359-I2363 PolarHBondContact O-N 3.06Å; V2360-I2363 CarbonylContact O-C 3.59Å; V2360-I2363 PolarHBondContact O-N 3.17Å; D2361-I2363 VanDerWaalsContact C-N 3.34Å; I2363-S2365 VanDerWaalsContact C-N 3.29Å; I2363-S2365 PolarHBondContact O-N 3.12Å; I2363-S2366 WeakPolarHBondContact O-CA 3.24Å; I2363-S2366 VanDerWaalsContact O-CB 3.31Å; I2363-S2366 WeakPolarHBondContact O-CB 3.34Å; I2363-S2366 PolarHBondContact O-N 3.18Å; I2363-S2366 VanDerWaalsContact O-N 3.11Å; I2363-S2366 PolarHBondContact O-OG 3.25Å; I2363-F2367 HydrophobicContact CG2-CD2 3.76Å; I2363-F2367 HydrophobicContact CG2-CE2 3.45Å; I2363-F2367 VanDerWaalsContact CG2-CE2 3.45Å; I2363-F2367 VanDerWaalsContact O-CD2 3.24Å; I2363-F2367 WeakPolarHBondContact O-CD2 3.36Å; I2363-F2367 PolarHBondContact O-N 3.02Å
2364A73.3Confident67.7Low0 Ų047.1 Ų47.10%026%0.259CS..Hα-helixtrans-59.6-39.8177.600000112C2340 T2341 L2344 V2360 D2361 S2366 F2367 V2368C2340-A2364 HydrophobicContact CB-CB 4.06Å; T2341-A2364 VanDerWaalsContact OG1-CB 3.26Å; T2341-A2364 WeakPolarHBondContact OG1-CB 3.37Å; L2344-A2364 HydrophobicContact CD1-CB 4.16Å; V2360-A2364 VanDerWaalsContact O-CB 3.29Å; V2360-A2364 WeakPolarHBondContact O-CB 3.24Å; V2360-A2364 PolarHBondContact O-N 3.12Å; D2361-A2364 PolarHBondContact O-N 3.08Å; A2364-S2366 VanDerWaalsContact C-N 3.31Å; A2364-S2366 PolarHBondContact O-N 3.15Å; A2364-F2367 WeakPolarHBondContact O-CB 3.33Å; A2364-F2367 PolarHBondContact O-N 3.26Å; A2364-V2368 VanDerWaalsContact O-CG2 3.3Å; A2364-V2368 WeakPolarHBondContact O-CG2 3.34Å; A2364-V2368 PolarHBondContact O-N 3.24Å; A2364-V2368 VanDerWaalsContact O-N 3.09Å
2365S75.9Confident67.9Low39 Ų3947.3 Ų47.327%0.27325%0.25SC..Hα-helixtrans-61.8-39.5173.8-58.90000112H2337 D2361 A2362 I2363 V2368 R2369H2337-S2365 PolarHBondContact CD2-N 3.45Å; H2337-S2365 PolarHBondContact CD2-OG 3.3Å; H2337-S2365 PolarHBondContact CE1-OG 3.11Å; H2337-S2365 VanDerWaalsContact CE1-OG 3.28Å; H2337-S2365 PolarHBondContact ND1-N 3.44Å; H2337-S2365 PolarHBondContact ND1-OG 3.4Å; H2337-S2365 PolarHBondContact NE2-OG 3.11Å; H2337-S2365 VanDerWaalsContact NE2-OG 3.17Å; D2361-S2365 VanDerWaalsContact O-CB 3.31Å; D2361-S2365 WeakPolarHBondContact O-CB 3.31Å; D2361-S2365 PolarHBondContact O-N 3.03Å; D2361-S2365 PolarHBondContact O-OG 2.95Å; A2362-S2365 WeakPolarHBondContact O-CB 3.33Å; A2362-S2365 PolarHBondContact O-N 2.94Å; I2363-S2365 VanDerWaalsContact C-N 3.29Å; I2363-S2365 PolarHBondContact O-N 3.12Å; S2365-V2368 PolarHBondContact O-N 3.25Å; S2365-R2369 VanDerWaalsContact O-CB 3.26Å; S2365-R2369 WeakPolarHBondContact O-CB 3.37Å; S2365-R2369 PolarHBondContact O-N 3.17Å
2366S72.2Confident67.7Low9.2 Ų9.242 Ų426%0.06423%0.227CC..Hα-helixtrans-66.8-40.7177.688.40000112A2362 I2363 A2364 A2370 W2415A2362-S2366 WeakPolarHBondContact O-CB 3.44Å; A2362-S2366 PolarHBondContact O-N 3.17Å; I2363-S2366 WeakPolarHBondContact O-CA 3.24Å; I2363-S2366 VanDerWaalsContact O-CB 3.31Å; I2363-S2366 WeakPolarHBondContact O-CB 3.34Å; I2363-S2366 PolarHBondContact O-N 3.18Å; I2363-S2366 VanDerWaalsContact O-N 3.11Å; I2363-S2366 PolarHBondContact O-OG 3.25Å; A2364-S2366 VanDerWaalsContact C-N 3.31Å; A2364-S2366 PolarHBondContact O-N 3.15Å; S2366-A2370 VanDerWaalsContact O-CB 3.27Å; S2366-A2370 WeakPolarHBondContact O-CB 3.37Å; S2366-A2370 PolarHBondContact O-N 3.13Å; S2366-W2415 VanDerWaalsContact OG-CZ2 3.29Å; S2366-W2415 WeakPolarHBondContact OG-CZ2 3.4Å
2367F72.9Confident67.4Low0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-59.4-50.2173.2-89.2-114.1000111.9C2340 L2344 I2363 A2364 A2370 M2371 L2391 W2394 A2395 L2398 W2415C2340-F2367 VanDerWaalsContact SG-CB 3.55Å; C2340-F2367 WeakPolarHBondContact SG-CB 3.17Å; C2340-F2367 VanDerWaalsContact SG-CD1 3.56Å; C2340-F2367 VanDerWaalsContact SG-CG 3.58Å; L2344-F2367 HydrophobicContact CD1-CD2 4.32Å; L2344-F2367 HydrophobicContact CD1-CE2 4.1Å; L2344-F2367 HydrophobicContact CD1-CZ 4.46Å; L2344-F2367 HydrophobicContact CD2-CE1 4.45Å; L2344-F2367 HydrophobicContact CD2-CE2 4.19Å; L2344-F2367 HydrophobicContact CD2-CZ 3.92Å; I2363-F2367 HydrophobicContact CG2-CD2 3.76Å; I2363-F2367 HydrophobicContact CG2-CE2 3.45Å; I2363-F2367 VanDerWaalsContact CG2-CE2 3.45Å; I2363-F2367 VanDerWaalsContact O-CD2 3.24Å; I2363-F2367 WeakPolarHBondContact O-CD2 3.36Å; I2363-F2367 PolarHBondContact O-N 3.02Å; A2364-F2367 WeakPolarHBondContact O-CB 3.33Å; A2364-F2367 PolarHBondContact O-N 3.26Å; F2367-A2370 PolarHBondContact O-N 3.26Å; F2367-M2371 WeakPolarHBondContact O-CB 3.43Å; F2367-M2371 PolarHBondContact O-N 3.21Å; F2367-L2391 HydrophobicContact CB-CD1 4.22Å; F2367-L2391 HydrophobicContact CD1-CD1 4.16Å; F2367-L2391 HydrophobicContact CD1-CG 4.39Å; F2367-W2394 HydrophobicContact CB-CE3 4.35Å; F2367-W2394 HydrophobicContact CB-CZ3 4.1Å; F2367-W2394 HydrophobicContact CD1-CB 4.23Å; F2367-W2394 AromaticContact CD1-CD2 3.41Å; F2367-W2394 HydrophobicContact CD1-CD2 3.41Å; F2367-W2394 VanDerWaalsContact CD1-CD2 3.43Å; F2367-W2394 AromaticContact CD1-CE2 3.97Å; F2367-W2394 AromaticContact CD1-CE3 3.11Å; F2367-W2394 HydrophobicContact CD1-CE3 3.11Å; F2367-W2394 AromaticContact CD1-CG 3.9Å; F2367-W2394 HydrophobicContact CD1-CG 3.9Å; F2367-W2394 HydrophobicContact CD1-CH2 4.34Å; F2367-W2394 HydrophobicContact CD1-CZ2 4.41Å; F2367-W2394 AromaticContact CD1-CZ3 3.64Å; F2367-W2394 HydrophobicContact CD1-CZ3 3.64Å; F2367-W2394 HydrophobicContact CD2-CE3 4.42Å; F2367-W2394 HydrophobicContact CD2-CH2 4.47Å; F2367-W2394 HydrophobicContact CD2-CZ3 4.39Å; F2367-W2394 HydrophobicContact CE1-CB 3.71Å; F2367-W2394 AromaticContact CE1-CD1 3.75Å; F2367-W2394 AromaticContact CE1-CD2 3.19Å; F2367-W2394 HydrophobicContact CE1-CD2 3.19Å; F2367-W2394 AromaticContact CE1-CE2 3.75Å; F2367-W2394 AromaticContact CE1-CE3 3.49Å; F2367-W2394 HydrophobicContact CE1-CE3 3.49Å; F2367-W2394 VanDerWaalsContact CE1-CE3 3.46Å; F2367-W2394 AromaticContact CE1-CG 3.28Å; F2367-W2394 HydrophobicContact CE1-CG 3.28Å; F2367-W2394 HydrophobicContact CE1-CH2 4.49Å; F2367-W2394 HydrophobicContact CE1-CZ2 4.31Å; F2367-W2394 HydrophobicContact CE1-CZ3 4.24Å; F2367-W2394 AromaticContact CE1-NE1 3.89Å; F2367-W2394 HydrophobicContact CG-CD2 4.27Å; F2367-W2394 AromaticContact CG-CE3 3.79Å; F2367-W2394 HydrophobicContact CG-CE3 3.79Å; F2367-W2394 HydrophobicContact CG-CH2 4.3Å; F2367-W2394 AromaticContact CG-CZ3 3.81Å; F2367-W2394 HydrophobicContact CG-CZ3 3.81Å; F2367-W2394 AromaticContact CZ-CD1 3.99Å; F2367-W2394 AromaticContact CZ-CD2 3.91Å; F2367-W2394 HydrophobicContact CZ-CD2 3.95Å; F2367-W2394 AromaticContact CZ-CE2 3.97Å; F2367-W2394 HydrophobicContact CZ-CE3 4.39Å; F2367-W2394 AromaticContact CZ-CG 3.96Å; F2367-W2394 HydrophobicContact CZ-CG 4.06Å; F2367-W2394 HydrophobicContact CZ-CZ2 4.48Å; F2367-A2395 HydrophobicContact CE1-CB 4.24Å; F2367-L2398 HydrophobicContact CZ-CD1 4.14Å; F2367-W2415 AromaticContact CD2-CD1 3.86Å; F2367-W2415 HydrophobicContact CD2-CZ2 4.47Å; F2367-W2415 AromaticContact CD2-NE1 3.15Å; F2367-W2415 AromaticContact CE1-NE1 3.96Å; F2367-W2415 AromaticContact CE2-CD1 3.08Å; F2367-W2415 HydrophobicContact CE2-CG 4.34Å; F2367-W2415 AromaticContact CE2-NE1 2.88Å; F2367-W2415 AromaticContact CG-NE1 3.93Å; F2367-W2415 AromaticContact CZ-CD1 3.38Å; F2367-W2415 VanDerWaalsContact CZ-CD1 3.42Å; F2367-W2415 AromaticContact CZ-NE1 3.48Å
2368V76.7Confident67Low3 Ų347 Ų472%0.01825%0.251CS..Hα-helixtrans-65.6-44.9-178.2174.90000110.6E2333 L2336 H2337 C2340 A2364 S2365 A2370 M2371 V2372 L2391E2333-V2368 HydrophobicContact CG-CG1 3.61Å; E2333-V2368 VanDerWaalsContact CG-CG1 3.46Å; L2336-V2368 HydrophobicContact CB-CG1 4.09Å; L2336-V2368 HydrophobicContact CB-CG2 3.92Å; L2336-V2368 HydrophobicContact CD1-CG1 4.4Å; H2337-V2368 HydrophobicContact CB-CG2 4.26Å; C2340-V2368 HydrophobicContact CB-CG2 4.44Å; A2364-V2368 VanDerWaalsContact O-CG2 3.3Å; A2364-V2368 WeakPolarHBondContact O-CG2 3.34Å; A2364-V2368 PolarHBondContact O-N 3.24Å; A2364-V2368 VanDerWaalsContact O-N 3.09Å; S2365-V2368 PolarHBondContact O-N 3.25Å; V2368-A2370 VanDerWaalsContact C-N 3.34Å; V2368-A2370 PolarHBondContact O-N 3.16Å; V2368-M2371 PolarHBondContact O-N 3.21Å; V2368-M2371 VanDerWaalsContact O-N 3.16Å; V2368-V2372 HydrophobicContact CG1-CG2 4.12Å; V2368-V2372 WeakPolarHBondContact O-CB 3.46Å; V2368-V2372 VanDerWaalsContact O-CG2 3.31Å; V2368-V2372 WeakPolarHBondContact O-CG2 3.3Å; V2368-V2372 PolarHBondContact O-N 3.1Å; V2368-L2391 HydrophobicContact CG2-CD1 3.95Å; V2368-L2391 HydrophobicContact CG2-CD2 4.38Å
2369R76.4Confident66.4Low94.8 Ų94.846.6 Ų46.636%0.35825%0.249SC..Hα-helixtrans-60.7-43.5176.6-168.3179.6-62.8154.65.6111.5S2365 M2371 V2372 S2373 I2443S2365-R2369 VanDerWaalsContact O-CB 3.26Å; S2365-R2369 WeakPolarHBondContact O-CB 3.37Å; S2365-R2369 PolarHBondContact O-N 3.17Å; R2369-M2371 VanDerWaalsContact C-N 3.33Å; R2369-M2371 PolarHBondContact O-N 3.16Å; R2369-V2372 PolarHBondContact O-N 3.24Å; R2369-S2373 VanDerWaalsContact O-CB 3.27Å; R2369-S2373 WeakPolarHBondContact O-CB 3.38Å; R2369-S2373 PolarHBondContact O-N 3.12Å; R2369-S2373 PolarHBondContact O-OG 3.13Å; R2369-S2373 VanDerWaalsContact O-OG 3.09Å; R2369-I2443 HydrophobicContact CB-CD1 4.41Å; R2369-I2443 HydrophobicContact CG-CD1 4.5Å; R2369-I2443 HydrophobicContact CG-CG1 4.44Å
2370A69.1Low65.7Low0.6 Ų0.650.4 Ų50.41%0.00527%0.266CS..Hα-helixtrans-59.7-45.3175.300000111.6S2366 F2367 V2368 S2373 T2374 W2394 F2440 I2443S2366-A2370 VanDerWaalsContact O-CB 3.27Å; S2366-A2370 WeakPolarHBondContact O-CB 3.37Å; S2366-A2370 PolarHBondContact O-N 3.13Å; F2367-A2370 PolarHBondContact O-N 3.26Å; V2368-A2370 VanDerWaalsContact C-N 3.34Å; V2368-A2370 PolarHBondContact O-N 3.16Å; A2370-S2373 WeakPolarHBondContact CA-OG 3.42Å; A2370-S2373 PolarHBondContact O-N 3.21Å; A2370-S2373 PolarHBondContact O-OG 3.28Å; A2370-T2374 WeakPolarHBondContact O-CB 3.38Å; A2370-T2374 VanDerWaalsContact O-CG2 3.24Å; A2370-T2374 WeakPolarHBondContact O-CG2 3.35Å; A2370-T2374 PolarHBondContact O-N 3.21Å; A2370-T2374 PolarHBondContact O-OG1 3.37Å; A2370-T2374 VanDerWaalsContact O-OG1 3.07Å; A2370-W2394 HydrophobicContact CB-CH2 4.08Å; A2370-W2394 HydrophobicContact CB-CZ3 4.06Å; A2370-F2440 HydrophobicContact CB-CE2 4Å; A2370-F2440 HydrophobicContact CB-CZ 4.01Å; A2370-I2443 HydrophobicContact CB-CD1 3.79Å
2371M72.5Confident65Low3 Ų352 Ų522%0.01528%0.277CS..Hα-helixtrans-64.8-49.1178.1-175.1-177.7164.100112Y2330 L2336 F2367 V2368 R2369 S2373 T2374 I2375 F2386 T2387 P2388 L2391 F2423Y2330-M2371 WeakPolarHBondContact OH-CE 3.39Å; L2336-M2371 HydrophobicContact CD1-SD 4.47Å; L2336-M2371 HydrophobicContact CD2-CE 4.38Å; L2336-M2371 HydrophobicContact CD2-SD 4.4Å; F2367-M2371 WeakPolarHBondContact O-CB 3.43Å; F2367-M2371 PolarHBondContact O-N 3.21Å; V2368-M2371 PolarHBondContact O-N 3.21Å; V2368-M2371 VanDerWaalsContact O-N 3.16Å; R2369-M2371 VanDerWaalsContact C-N 3.33Å; R2369-M2371 PolarHBondContact O-N 3.16Å; M2371-S2373 VanDerWaalsContact C-N 3.33Å; M2371-S2373 PolarHBondContact O-N 3.1Å; M2371-T2374 WeakPolarHBondContact CA-OG1 3.39Å; M2371-T2374 CarbonylContact O-C 3.43Å; M2371-T2374 PolarHBondContact O-N 3.17Å; M2371-T2374 VanDerWaalsContact O-N 3.13Å; M2371-T2374 PolarHBondContact O-OG1 3.29Å; M2371-I2375 HydrophobicContact CE-CD1 4.05Å; M2371-I2375 HydrophobicContact CG-CD1 3.87Å; M2371-I2375 HydrophobicContact CG-CG1 4.43Å; M2371-I2375 VanDerWaalsContact O-CD1 3.26Å; M2371-I2375 WeakPolarHBondContact O-CD1 3.23Å; M2371-I2375 WeakPolarHBondContact O-CG1 3.33Å; M2371-I2375 PolarHBondContact O-N 3.02Å; M2371-I2375 VanDerWaalsContact O-N 3.14Å; M2371-F2386 HydrophobicContact CE-CB 4.47Å; M2371-F2386 HydrophobicContact CG-CB 4.49Å; M2371-T2387 VanDerWaalsContact CE-C 3.43Å; M2371-T2387 WeakPolarHBondContact CE-O 3.3Å; M2371-P2388 HydrophobicContact CE-CG 4.38Å; M2371-P2388 VanDerWaalsContact CE-N 3.33Å; M2371-L2391 HydrophobicContact CB-CD1 4.19Å; M2371-L2391 HydrophobicContact SD-CB 3.81Å; M2371-L2391 HydrophobicContact SD-CD1 3.96Å; M2371-L2391 HydrophobicContact SD-CD2 4.42Å; M2371-L2391 HydrophobicContact SD-CG 4.37Å; M2371-F2423 HydrophobicContact CB-CZ 4.49Å
2372V71.3Confident64.4Low52.4 Ų52.452.2 Ų52.232%0.31828%0.276SS..Hα-helixtrans-62.9-44-179172.70000111.2E2333 L2336 V2368 R2369 T2374 I2375 F2376E2333-V2372 HydrophobicContact CG-CG2 4.45Å; L2336-V2372 HydrophobicContact CD1-CG2 4.35Å; V2368-V2372 HydrophobicContact CG1-CG2 4.12Å; V2368-V2372 WeakPolarHBondContact O-CB 3.46Å; V2368-V2372 VanDerWaalsContact O-CG2 3.31Å; V2368-V2372 WeakPolarHBondContact O-CG2 3.3Å; V2368-V2372 PolarHBondContact O-N 3.1Å; R2369-V2372 PolarHBondContact O-N 3.24Å; V2372-T2374 VanDerWaalsContact C-N 3.28Å; V2372-T2374 PolarHBondContact O-N 3.33Å; V2372-I2375 WeakPolarHBondContact O-CG1 3.36Å; V2372-I2375 PolarHBondContact O-N 3.23Å; V2372-I2375 VanDerWaalsContact O-N 3.1Å; V2372-F2376 HydrophobicContact CG1-CD2 4.06Å; V2372-F2376 HydrophobicContact CG1-CE2 3.93Å; V2372-F2376 HydrophobicContact CG1-CZ 4.1Å; V2372-F2376 WeakPolarHBondContact O-CD2 3.23Å; V2372-F2376 WeakPolarHBondContact O-CE2 3.05Å; V2372-F2376 PolarHBondContact O-N 3.39Å
2373S66.5Low63.9Low43.4 Ų43.452 Ų5230%0.30327%0.27SS..Hα-helixtrans-67.8-22.1177.3-23.60000113.6R2369 A2370 M2371 I2375 F2376 V2439R2369-S2373 VanDerWaalsContact O-CB 3.27Å; R2369-S2373 WeakPolarHBondContact O-CB 3.38Å; R2369-S2373 PolarHBondContact O-N 3.12Å; R2369-S2373 PolarHBondContact O-OG 3.13Å; R2369-S2373 VanDerWaalsContact O-OG 3.09Å; A2370-S2373 WeakPolarHBondContact CA-OG 3.42Å; A2370-S2373 PolarHBondContact O-N 3.21Å; A2370-S2373 PolarHBondContact O-OG 3.28Å; M2371-S2373 VanDerWaalsContact C-N 3.33Å; M2371-S2373 PolarHBondContact O-N 3.1Å; S2373-I2375 VanDerWaalsContact C-N 3.28Å; S2373-I2375 PolarHBondContact O-N 3.06Å; S2373-F2376 WeakPolarHBondContact O-CD2 3.4Å; S2373-F2376 WeakPolarHBondContact O-CE1 3.44Å; S2373-F2376 WeakPolarHBondContact O-CE2 3.28Å; S2373-F2376 WeakPolarHBondContact O-CG 3.34Å; S2373-F2376 VanDerWaalsContact O-CZ 3.25Å; S2373-F2376 WeakPolarHBondContact O-CZ 3.4Å; S2373-V2439 WeakPolarHBondContact OG-CG1 3.08Å
2374T62.2Low63.6Low9.2 Ų9.251.2 Ų51.26%0.05627%0.265CS..Hα-helixtrans-90.6-9.3176.853.20000114.4A2370 M2371 V2372 F2376 L2378 F2386 F2436A2370-T2374 WeakPolarHBondContact O-CB 3.38Å; A2370-T2374 VanDerWaalsContact O-CG2 3.24Å; A2370-T2374 WeakPolarHBondContact O-CG2 3.35Å; A2370-T2374 PolarHBondContact O-N 3.21Å; A2370-T2374 PolarHBondContact O-OG1 3.37Å; A2370-T2374 VanDerWaalsContact O-OG1 3.07Å; M2371-T2374 WeakPolarHBondContact CA-OG1 3.39Å; M2371-T2374 CarbonylContact O-C 3.43Å; M2371-T2374 PolarHBondContact O-N 3.17Å; M2371-T2374 VanDerWaalsContact O-N 3.13Å; M2371-T2374 PolarHBondContact O-OG1 3.29Å; V2372-T2374 VanDerWaalsContact C-N 3.28Å; V2372-T2374 PolarHBondContact O-N 3.33Å; T2374-F2376 VanDerWaalsContact C-N 3.31Å; T2374-F2376 HydrophobicContact CG2-CE2 4.46Å; T2374-F2376 HydrophobicContact CG2-CZ 4.3Å; T2374-F2376 WeakPolarHBondContact O-CD2 3.28Å; T2374-F2376 WeakPolarHBondContact O-CE2 3.13Å; T2374-F2376 PolarHBondContact O-N 3.1Å; T2374-L2378 WeakPolarHBondContact O-CD1 3.3Å; T2374-F2386 WeakPolarHBondContact O-CD2 3.4Å; T2374-F2386 VanDerWaalsContact O-CE2 3.27Å; T2374-F2386 WeakPolarHBondContact O-CE2 3.17Å; T2374-F2386 WeakPolarHBondContact OG1-CD2 3.48Å; T2374-F2436 HydrophobicContact CG2-CD2 3.58Å; T2374-F2436 HydrophobicContact CG2-CE2 3.91Å
2375I59.2Low63.3Low70 Ų7052.7 Ų52.736%0.35928%0.278SS..  trans-72.626.1173.1-65.3162.7000110.2Y2330 M2371 V2372 S2373 D2377 L2378 F2386Y2330-I2375 VanDerWaalsContact OH-CD1 3.24Å; Y2330-I2375 WeakPolarHBondContact OH-CD1 3.27Å; M2371-I2375 HydrophobicContact CE-CD1 4.05Å; M2371-I2375 HydrophobicContact CG-CD1 3.87Å; M2371-I2375 HydrophobicContact CG-CG1 4.43Å; M2371-I2375 VanDerWaalsContact O-CD1 3.26Å; M2371-I2375 WeakPolarHBondContact O-CD1 3.23Å; M2371-I2375 WeakPolarHBondContact O-CG1 3.33Å; M2371-I2375 PolarHBondContact O-N 3.02Å; M2371-I2375 VanDerWaalsContact O-N 3.14Å; V2372-I2375 WeakPolarHBondContact O-CG1 3.36Å; V2372-I2375 PolarHBondContact O-N 3.23Å; V2372-I2375 VanDerWaalsContact O-N 3.1Å; S2373-I2375 VanDerWaalsContact C-N 3.28Å; S2373-I2375 PolarHBondContact O-N 3.06Å; I2375-D2377 PolarHBondContact O-N 3.14Å; I2375-L2378 HydrophobicContact CG2-CD1 4.44Å; I2375-L2378 PolarHBondContact O-N 3.49Å; I2375-F2386 HydrophobicContact CD1-CB 4.45Å; I2375-F2386 HydrophobicContact CG1-CB 4.15Å; I2375-F2386 HydrophobicContact CG1-CD2 4.41Å
2376F52.4Low63.3Low82.8 Ų82.851.6 Ų51.636%0.36327%0.268SS..  trans-69.6134.3179.6-69.1-77.1000112.1V2372 S2373 T2374 L2378 Y2384 F2386 L2427 E2432 R2435 F2436V2372-F2376 HydrophobicContact CG1-CD2 4.06Å; V2372-F2376 HydrophobicContact CG1-CE2 3.93Å; V2372-F2376 HydrophobicContact CG1-CZ 4.1Å; V2372-F2376 WeakPolarHBondContact O-CD2 3.23Å; V2372-F2376 WeakPolarHBondContact O-CE2 3.05Å; V2372-F2376 PolarHBondContact O-N 3.39Å; S2373-F2376 WeakPolarHBondContact O-CD2 3.4Å; S2373-F2376 WeakPolarHBondContact O-CE1 3.44Å; S2373-F2376 WeakPolarHBondContact O-CE2 3.28Å; S2373-F2376 WeakPolarHBondContact O-CG 3.34Å; S2373-F2376 VanDerWaalsContact O-CZ 3.25Å; S2373-F2376 WeakPolarHBondContact O-CZ 3.4Å; T2374-F2376 VanDerWaalsContact C-N 3.31Å; T2374-F2376 HydrophobicContact CG2-CE2 4.46Å; T2374-F2376 HydrophobicContact CG2-CZ 4.3Å; T2374-F2376 WeakPolarHBondContact O-CD2 3.28Å; T2374-F2376 WeakPolarHBondContact O-CE2 3.13Å; T2374-F2376 PolarHBondContact O-N 3.1Å; F2376-L2378 HydrophobicContact CB-CD1 3.89Å; F2376-L2378 HydrophobicContact CB-CD2 4.34Å; F2376-L2378 HydrophobicContact CB-CG 3.83Å; F2376-L2378 HydrophobicContact CD2-CD1 3.71Å; F2376-L2378 HydrophobicContact CD2-CG 4.38Å; F2376-L2378 HydrophobicContact CG-CD1 4.29Å; F2376-L2378 PolarHBondContact O-N 3.09Å; F2376-L2378 VanDerWaalsContact O-N 3.07Å; F2376-Y2384 HydrophobicContact CB-CD2 3.93Å; F2376-Y2384 HydrophobicContact CB-CG 4.43Å; F2376-F2386 HydrophobicContact CD2-CE2 4.28Å; F2376-L2427 HydrophobicContact CD2-CD2 3.8Å; F2376-L2427 HydrophobicContact CE2-CD1 4.04Å; F2376-L2427 HydrophobicContact CE2-CD2 3.59Å; F2376-L2427 HydrophobicContact CE2-CG 4.47Å; F2376-L2427 HydrophobicContact CZ-CD1 4.11Å; F2376-L2427 HydrophobicContact CZ-CD2 4.21Å; F2376-E2432 HydrophobicContact CE1-CB 4.38Å; F2376-E2432 HydrophobicContact CE1-CG 4.43Å; F2376-R2435 HydrophobicContact CE1-CG 4.29Å; F2376-R2435 HydrophobicContact CZ-CG 4.31Å; F2376-F2436 HydrophobicContact CZ-CB 4.46Å
2377D50.5Low63.4Low120.4 Ų120.451.7 Ų51.764%0.64427%0.268SS*.  trans-41.749.5173.4-65.3-39.8000115.4I2375 E2379 N2380 R2435I2375-D2377 PolarHBondContact O-N 3.14Å; D2377-E2379 VanDerWaalsContact C-N 3.28Å; D2377-E2379 PolarHBondContact O-N 3.36Å; D2377-E2379 VanDerWaalsContact O-N 3.15Å; D2377-N2380 PolarHBondContact O-N 2.87Å; D2377-N2380 VanDerWaalsContact O-N 3.13Å; D2377-R2435 IonicContact OD2-CZ 3.14Å; D2377-R2435 IonicContact OD2-NH1 3.22Å; D2377-R2435 PolarHBondContact OD2-NH1 2.99Å; D2377-R2435 IonicContact OD2-NH2 3.42Å; D2377-R2435 PolarHBondContact OD2-NH2 3.2Å; D2377-R2435 VanDerWaalsContact OD2-NH2 3.12Å
2378L51.1Low63.6Low63 Ų6352.1 Ų52.133%0.3327%0.271SS..THydrogen-bonded Turntrans-81.89.3-175.3-72.1158.7000114.5T2374 I2375 F2376 N2380 C2381 Y2384 A2385 F2386 L2427 E2432T2374-L2378 WeakPolarHBondContact O-CD1 3.3Å; I2375-L2378 HydrophobicContact CG2-CD1 4.44Å; I2375-L2378 PolarHBondContact O-N 3.49Å; F2376-L2378 HydrophobicContact CB-CD1 3.89Å; F2376-L2378 HydrophobicContact CB-CD2 4.34Å; F2376-L2378 HydrophobicContact CB-CG 3.83Å; F2376-L2378 HydrophobicContact CD2-CD1 3.71Å; F2376-L2378 HydrophobicContact CD2-CG 4.38Å; F2376-L2378 HydrophobicContact CG-CD1 4.29Å; F2376-L2378 PolarHBondContact O-N 3.09Å; F2376-L2378 VanDerWaalsContact O-N 3.07Å; L2378-N2380 VanDerWaalsContact C-N 3.33Å; L2378-N2380 PolarHBondContact O-N 3.04Å; L2378-C2381 PolarHBondContact O-N 3.26Å; L2378-C2381 VanDerWaalsContact O-N 3.1Å; L2378-Y2384 VanDerWaalsContact CB-CB 3.47Å; L2378-Y2384 HydrophobicContact CB-CD2 4.2Å; L2378-Y2384 HydrophobicContact CB-CG 4.04Å; L2378-Y2384 VanDerWaalsContact CD1-CB 3.43Å; L2378-Y2384 HydrophobicContact CD1-CD2 4.28Å; L2378-Y2384 HydrophobicContact CD1-CG 4.12Å; L2378-Y2384 HydrophobicContact CD2-CD2 3.64Å; L2378-Y2384 HydrophobicContact CD2-CE2 4.07Å; L2378-Y2384 HydrophobicContact CD2-CG 4.1Å; L2378-Y2384 HydrophobicContact CG-CD2 4.28Å; L2378-Y2384 HydrophobicContact CG-CG 4.33Å; L2378-A2385 HydrophobicContact CD2-CB 4Å; L2378-F2386 HydrophobicContact CD1-CE2 4.21Å; L2378-L2427 HydrophobicContact CD1-CD2 3.95Å; L2378-E2432 HydrophobicContact CD2-CG 4.26Å
2379E48.7Very low63.7Low178.2 Ų178.254.3 Ų54.383%0.83328%0.284SS*.THydrogen-bonded Turntrans-60.9-24.3178.4-67-167.9154.200113.3D2377 C2381 R2679D2377-E2379 VanDerWaalsContact C-N 3.28Å; D2377-E2379 PolarHBondContact O-N 3.36Å; D2377-E2379 VanDerWaalsContact O-N 3.15Å; E2379-C2381 VanDerWaalsContact C-N 3.33Å; E2379-C2381 PolarHBondContact O-N 2.81Å; E2379-R2679 PolarHBondContact O-NH2 3.04Å; E2379-R2679 VanDerWaalsContact O-NH2 3.12Å
2380N50.6Low64Low127 Ų12749.8 Ų49.868%0.67927%0.268SS*.THydrogen-bonded Turntrans-83.8-26.6-174.1-71.2-33000114.6D2377 L2378 R2679D2377-N2380 PolarHBondContact O-N 2.87Å; D2377-N2380 VanDerWaalsContact O-N 3.13Å; L2378-N2380 VanDerWaalsContact C-N 3.33Å; L2378-N2380 PolarHBondContact O-N 3.04Å; N2380-R2679 PolarHBondContact O-NH2 3Å
2381C55.3Low64.6Low39.8 Ų39.849.8 Ų49.827%0.26927%0.268SS..  trans-145.6108.8-176.2-86.40000112.2L2378 E2379 N2383 Y2384L2378-C2381 PolarHBondContact O-N 3.26Å; L2378-C2381 VanDerWaalsContact O-N 3.1Å; E2379-C2381 VanDerWaalsContact C-N 3.33Å; E2379-C2381 PolarHBondContact O-N 2.81Å; C2381-N2383 VanDerWaalsContact CB-OD1 3.32Å; C2381-N2383 WeakPolarHBondContact CB-OD1 3.44Å; C2381-N2383 PolarHBondContact O-N 3.16Å; C2381-N2383 VanDerWaalsContact O-N 3.09Å; C2381-Y2384 HydrophobicContact CB-CD1 4.25Å; C2381-Y2384 HydrophobicContact CB-CD2 3.46Å; C2381-Y2384 HydrophobicContact CB-CE1 4.09Å; C2381-Y2384 HydrophobicContact CB-CE2 3.38Å; C2381-Y2384 HydrophobicContact CB-CG 4.27Å; C2381-Y2384 WeakPolarHBondContact O-CB 3.19Å; C2381-Y2384 VanDerWaalsContact O-CD2 3.26Å; C2381-Y2384 WeakPolarHBondContact O-CD2 3.3Å; C2381-Y2384 PolarHBondContact O-N 3.11Å; C2381-Y2384 VanDerWaalsContact O-N 3.12Å
2382M55.5Low64.9Low97.2 Ų97.250.8 Ų50.848%0.47927%0.273SS..G310 helixtrans-59.7-16.8-179.5-71-82.3-79.500114.5Y2384 A2385 R2679 A2682M2382-Y2384 PolarHBondContact O-N 3.14Å; M2382-Y2384 VanDerWaalsContact O-N 3.13Å; M2382-A2385 PolarHBondContact O-N 3.02Å; M2382-R2679 HydrophobicContact CG-CG 4.13Å; M2382-A2682 HydrophobicContact CE-CB 4.19Å
2383N60.8Low65.4Low30.8 Ų30.849 Ų4917%0.16526%0.263CS..G310 helixtrans-64.9-14.2174.4-46.2-20.2000113.3C2381 A2385 R2426 I2539 S2678C2381-N2383 VanDerWaalsContact CB-OD1 3.32Å; C2381-N2383 WeakPolarHBondContact CB-OD1 3.44Å; C2381-N2383 PolarHBondContact O-N 3.16Å; C2381-N2383 VanDerWaalsContact O-N 3.09Å; N2383-A2385 PolarHBondContact O-N 2.77Å; N2383-R2426 WeakPolarHBondContact O-CD 3.46Å; N2383-I2539 VanDerWaalsContact ND2-CD1 3.27Å; N2383-I2539 WeakPolarHBondContact ND2-CD1 3.45Å; N2383-S2678 WeakPolarHBondContact OD1-CB 3.28Å; N2383-S2678 PolarHBondContact OD1-OG 2.96Å
2384Y63.3Low66.3Low11.4 Ų11.447 Ų475%0.04525%0.248CC..G310 helixtrans-100.89.3-175.5-55.4-38000114.3F2376 L2378 C2381 M2382 F2386 R2426 L2427 V2428 E2432F2376-Y2384 HydrophobicContact CB-CD2 3.93Å; F2376-Y2384 HydrophobicContact CB-CG 4.43Å; L2378-Y2384 VanDerWaalsContact CB-CB 3.47Å; L2378-Y2384 HydrophobicContact CB-CD2 4.2Å; L2378-Y2384 HydrophobicContact CB-CG 4.04Å; L2378-Y2384 VanDerWaalsContact CD1-CB 3.43Å; L2378-Y2384 HydrophobicContact CD1-CD2 4.28Å; L2378-Y2384 HydrophobicContact CD1-CG 4.12Å; L2378-Y2384 HydrophobicContact CD2-CD2 3.64Å; L2378-Y2384 HydrophobicContact CD2-CE2 4.07Å; L2378-Y2384 HydrophobicContact CD2-CG 4.1Å; L2378-Y2384 HydrophobicContact CG-CD2 4.28Å; L2378-Y2384 HydrophobicContact CG-CG 4.33Å; C2381-Y2384 HydrophobicContact CB-CD1 4.25Å; C2381-Y2384 HydrophobicContact CB-CD2 3.46Å; C2381-Y2384 HydrophobicContact CB-CE1 4.09Å; C2381-Y2384 HydrophobicContact CB-CE2 3.38Å; C2381-Y2384 HydrophobicContact CB-CG 4.27Å; C2381-Y2384 WeakPolarHBondContact O-CB 3.19Å; C2381-Y2384 VanDerWaalsContact O-CD2 3.26Å; C2381-Y2384 WeakPolarHBondContact O-CD2 3.3Å; C2381-Y2384 PolarHBondContact O-N 3.11Å; C2381-Y2384 VanDerWaalsContact O-N 3.12Å; M2382-Y2384 PolarHBondContact O-N 3.14Å; M2382-Y2384 VanDerWaalsContact O-N 3.13Å; Y2384-F2386 VanDerWaalsContact O-CD2 3.28Å; Y2384-F2386 WeakPolarHBondContact O-CD2 3.32Å; Y2384-F2386 WeakPolarHBondContact O-CE2 3.33Å; Y2384-F2386 PolarHBondContact O-N 3.04Å; Y2384-R2426 HydrophobicContact CD1-CB 4.42Å; Y2384-R2426 VanDerWaalsContact CE1-O 3.26Å; Y2384-R2426 WeakPolarHBondContact CE1-O 3.25Å; Y2384-L2427 HydrophobicContact CD1-CD2 4.11Å; Y2384-L2427 HydrophobicContact CE1-CD2 4.19Å; Y2384-L2427 HydrophobicContact CG-CD2 4.41Å; Y2384-V2428 HydrophobicContact CE1-CG2 4.24Å; Y2384-V2428 WeakPolarHBondContact OH-CB 3.26Å; Y2384-V2428 VanDerWaalsContact OH-CG2 3.26Å; Y2384-V2428 WeakPolarHBondContact OH-CG2 3.34Å; Y2384-V2428 PolarHBondContact OH-N 3.38Å; Y2384-E2432 WeakPolarHBondContact CE2-OE1 3.25Å; Y2384-E2432 PolarHBondContact OH-OE1 2.77Å; Y2384-E2432 PolarHBondContact OH-OE2 2.99Å; Y2384-E2432 VanDerWaalsContact OH-OE2 3.07Å
2385A65.8Low67.3Low32 Ų3246.6 Ų46.626%0.26425%0.246SC..  trans-7396.4178.600000110.7L2378 M2382 N2383 R2686L2378-A2385 HydrophobicContact CD2-CB 4Å; M2382-A2385 PolarHBondContact O-N 3.02Å; N2383-A2385 PolarHBondContact O-N 2.77Å; A2385-R2686 VanDerWaalsContact CB-NH2 3.29Å
2386F75.7Confident68.2Low15 Ų1543.7 Ų43.77%0.06623%0.231CC..  trans-80.4133.1173.7-58.2-64.3000110.8M2371 T2374 I2375 F2376 L2378 Y2384 D2390 F2423 R2426M2371-F2386 HydrophobicContact CE-CB 4.47Å; M2371-F2386 HydrophobicContact CG-CB 4.49Å; T2374-F2386 WeakPolarHBondContact O-CD2 3.4Å; T2374-F2386 VanDerWaalsContact O-CE2 3.27Å; T2374-F2386 WeakPolarHBondContact O-CE2 3.17Å; T2374-F2386 WeakPolarHBondContact OG1-CD2 3.48Å; I2375-F2386 HydrophobicContact CD1-CB 4.45Å; I2375-F2386 HydrophobicContact CG1-CB 4.15Å; I2375-F2386 HydrophobicContact CG1-CD2 4.41Å; F2376-F2386 HydrophobicContact CD2-CE2 4.28Å; L2378-F2386 HydrophobicContact CD1-CE2 4.21Å; Y2384-F2386 VanDerWaalsContact O-CD2 3.28Å; Y2384-F2386 WeakPolarHBondContact O-CD2 3.32Å; Y2384-F2386 WeakPolarHBondContact O-CE2 3.33Å; Y2384-F2386 PolarHBondContact O-N 3.04Å; F2386-D2390 WeakPolarHBondContact CA-OD2 3.46Å; F2386-F2423 HydrophobicContact CB-CE1 4.18Å; F2386-F2423 AromaticContact CD1-CD1 3.35Å; F2386-F2423 HydrophobicContact CD1-CD1 3.35Å; F2386-F2423 AromaticContact CD1-CE1 3.59Å; F2386-F2423 HydrophobicContact CD1-CE1 3.59Å; F2386-F2423 HydrophobicContact CD1-CG 4.43Å; F2386-F2423 AromaticContact CD2-CD1 3.99Å; F2386-F2423 HydrophobicContact CD2-CD1 4.1Å; F2386-F2423 HydrophobicContact CD2-CE1 4.42Å; F2386-F2423 HydrophobicContact CE1-CB 4.19Å; F2386-F2423 AromaticContact CE1-CD1 3.33Å; F2386-F2423 HydrophobicContact CE1-CD1 3.33Å; F2386-F2423 HydrophobicContact CE1-CE1 4.08Å; F2386-F2423 HydrophobicContact CE1-CG 4.13Å; F2386-F2423 HydrophobicContact CE2-CD1 4.08Å; F2386-F2423 AromaticContact CG-CD1 3.76Å; F2386-F2423 HydrophobicContact CG-CD1 3.76Å; F2386-F2423 AromaticContact CG-CE1 3.8Å; F2386-F2423 HydrophobicContact CG-CE1 3.8Å; F2386-F2423 HydrophobicContact CZ-CB 4.21Å; F2386-F2423 AromaticContact CZ-CD1 3.72Å; F2386-F2423 HydrophobicContact CZ-CD1 3.72Å; F2386-F2423 HydrophobicContact CZ-CG 4.4Å; F2386-R2426 HydrophobicContact CE1-CG 4.42Å
2387T75.2Confident69.6Low11.4 Ų11.439.9 Ų39.97%0.0722%0.216CC..  trans-121.1159.9-17661.50000111T2324 M2371 T2389 D2390 L2391T2324-T2387 WeakPolarHBondContact O-CG2 3.48Å; M2371-T2387 VanDerWaalsContact CE-C 3.43Å; M2371-T2387 WeakPolarHBondContact CE-O 3.3Å; T2387-T2389 PolarHBondContact O-N 3.06Å; T2387-T2389 VanDerWaalsContact O-N 3.13Å; T2387-T2389 VanDerWaalsContact OG1-CB 3.29Å; T2387-T2389 WeakPolarHBondContact OG1-CB 3.4Å; T2387-T2389 PolarHBondContact OG1-N 2.97Å; T2387-T2389 PolarHBondContact OG1-OG1 3.03Å; T2387-D2390 PolarHBondContact N-OD2 3.12Å; T2387-D2390 WeakPolarHBondContact O-CA 3.46Å; T2387-D2390 VanDerWaalsContact O-CB 3.3Å; T2387-D2390 WeakPolarHBondContact O-CB 3.41Å; T2387-D2390 PolarHBondContact O-N 3.21Å; T2387-D2390 PolarHBondContact OG1-OD2 3.06Å; T2387-D2390 VanDerWaalsContact OG1-OD2 3.07Å; T2387-L2391 PolarHBondContact O-N 2.93Å
2388P76.9Confident71.1Confident8.8 Ų8.834.9 Ų34.96%0.05719%0.189CC..Hα-helixtrans-53.9-28173-27.435.1000112.8C2326 Y2330 P2331 L2336 I2339 M2371 D2390 L2391 I2392C2326-P2388 HydrophobicContact CB-CG 4.36Å; Y2330-P2388 HydrophobicContact CE2-CG 4.38Å; P2331-P2388 HydrophobicContact CG-CB 4.33Å; P2331-P2388 HydrophobicContact CG-CG 3.88Å; L2336-P2388 HydrophobicContact CD2-CB 3.95Å; L2336-P2388 HydrophobicContact CD2-CG 3.9Å; I2339-P2388 HydrophobicContact CD1-CB 4.5Å; M2371-P2388 HydrophobicContact CE-CG 4.38Å; M2371-P2388 VanDerWaalsContact CE-N 3.33Å; P2388-D2390 VanDerWaalsContact C-N 3.28Å; P2388-D2390 PolarHBondContact O-N 3.09Å; P2388-L2391 VanDerWaalsContact O-CB 3.31Å; P2388-L2391 WeakPolarHBondContact O-CB 3.28Å; P2388-L2391 PolarHBondContact O-N 3.09Å; P2388-L2391 VanDerWaalsContact O-N 3.15Å; P2388-I2392 VanDerWaalsContact O-CG1 3.3Å; P2388-I2392 WeakPolarHBondContact O-CG1 3.36Å; P2388-I2392 PolarHBondContact O-N 3.16Å
2389T79.2Confident72.3Confident48.4 Ų48.433.6 Ų33.630%0.29719%0.185SC..Hα-helixtrans-57.4-38.3171.3-47.30000112.6V2292 G2325 T2387 L2391 I2392 C2393V2292-T2389 HydrophobicContact CB-CG2 4.23Å; V2292-T2389 HydrophobicContact CG1-CG2 4.16Å; V2292-T2389 HydrophobicContact CG2-CG2 3.85Å; G2325-T2389 PolarHBondContact O-OG1 3.14Å; G2325-T2389 VanDerWaalsContact O-OG1 3.13Å; T2387-T2389 PolarHBondContact O-N 3.06Å; T2387-T2389 VanDerWaalsContact O-N 3.13Å; T2387-T2389 VanDerWaalsContact OG1-CB 3.29Å; T2387-T2389 WeakPolarHBondContact OG1-CB 3.4Å; T2387-T2389 PolarHBondContact OG1-N 2.97Å; T2387-T2389 PolarHBondContact OG1-OG1 3.03Å; T2389-L2391 VanDerWaalsContact C-N 3.32Å; T2389-L2391 PolarHBondContact O-N 3.07Å; T2389-I2392 PolarHBondContact O-N 3.18Å; T2389-C2393 WeakPolarHBondContact O-CB 3.33Å; T2389-C2393 PolarHBondContact O-N 3.1Å; T2389-C2393 PolarHBondContact O-SG 3.17Å
2390D81.3Confident73.8Confident1.4 Ų1.426.1 Ų26.11%0.00715%0.149CC..Hα-helixtrans-67.5-36178.1-62.1-55.2000111.5F2386 T2387 P2388 C2393 W2394 I2422 R2426 K2533F2386-D2390 WeakPolarHBondContact CA-OD2 3.46Å; T2387-D2390 PolarHBondContact N-OD2 3.12Å; T2387-D2390 WeakPolarHBondContact O-CA 3.46Å; T2387-D2390 VanDerWaalsContact O-CB 3.3Å; T2387-D2390 WeakPolarHBondContact O-CB 3.41Å; T2387-D2390 PolarHBondContact O-N 3.21Å; T2387-D2390 PolarHBondContact OG1-OD2 3.06Å; T2387-D2390 VanDerWaalsContact OG1-OD2 3.07Å; P2388-D2390 VanDerWaalsContact C-N 3.28Å; P2388-D2390 PolarHBondContact O-N 3.09Å; D2390-C2393 WeakPolarHBondContact O-CB 3.27Å; D2390-C2393 PolarHBondContact O-N 3.01Å; D2390-W2394 WeakPolarHBondContact O-CB 3.39Å; D2390-W2394 PolarHBondContact O-N 3.16Å; D2390-I2422 HydrophobicContact CB-CG2 4.1Å; D2390-R2426 VanDerWaalsContact CG-NH2 3.29Å; D2390-R2426 IonicContact OD1-CZ 3.24Å; D2390-R2426 IonicContact OD1-NH1 3.27Å; D2390-R2426 PolarHBondContact OD1-NH1 3.45Å; D2390-R2426 IonicContact OD1-NH2 3.28Å; D2390-R2426 PolarHBondContact OD1-NH2 3.35Å; D2390-R2426 IonicContact OD2-CZ 2.74Å; D2390-R2426 IonicContact OD2-NH1 2.92Å; D2390-R2426 PolarHBondContact OD2-NH1 3Å; D2390-R2426 IonicContact OD2-NH2 3.27Å; D2390-K2533 IonicContact OD1-NZ 3.3Å; D2390-K2533 PolarHBondContact OD1-NZ 3.14Å
2391L81.5Confident75.3Confident0.6 Ų0.620.7 Ų20.70%0.00312%0.119CC..Hα-helixtrans-65.8-40.9173.1-178.7138.4000111.8L2336 I2339 C2340 F2367 V2368 M2371 T2387 P2388 T2389 W2394 A2395L2336-L2391 HydrophobicContact CB-CD2 4.4Å; L2336-L2391 HydrophobicContact CD2-CD2 4.09Å; I2339-L2391 HydrophobicContact CG2-CD2 4.24Å; C2340-L2391 HydrophobicContact CB-CD1 4.23Å; C2340-L2391 HydrophobicContact CB-CD2 3.66Å; C2340-L2391 VanDerWaalsContact CB-CD2 3.47Å; C2340-L2391 HydrophobicContact CB-CG 4.28Å; F2367-L2391 HydrophobicContact CB-CD1 4.22Å; F2367-L2391 HydrophobicContact CD1-CD1 4.16Å; F2367-L2391 HydrophobicContact CD1-CG 4.39Å; V2368-L2391 HydrophobicContact CG2-CD1 3.95Å; V2368-L2391 HydrophobicContact CG2-CD2 4.38Å; M2371-L2391 HydrophobicContact CB-CD1 4.19Å; M2371-L2391 HydrophobicContact SD-CB 3.81Å; M2371-L2391 HydrophobicContact SD-CD1 3.96Å; M2371-L2391 HydrophobicContact SD-CD2 4.42Å; M2371-L2391 HydrophobicContact SD-CG 4.37Å; T2387-L2391 PolarHBondContact O-N 2.93Å; P2388-L2391 VanDerWaalsContact O-CB 3.31Å; P2388-L2391 WeakPolarHBondContact O-CB 3.28Å; P2388-L2391 PolarHBondContact O-N 3.09Å; P2388-L2391 VanDerWaalsContact O-N 3.15Å; T2389-L2391 VanDerWaalsContact C-N 3.32Å; T2389-L2391 PolarHBondContact O-N 3.07Å; L2391-W2394 PolarHBondContact O-N 3.27Å; L2391-A2395 PolarHBondContact O-N 3.11Å
2392I80.2Confident76.3Confident23.6 Ų23.620.7 Ų20.712%0.12112%0.118CC..Hα-helixtrans-65.1-45.7174.2-62168.5000110.2V2292 I2339 F2343 P2388 T2389 W2394 A2395 L2396V2292-I2392 HydrophobicContact CG1-CB 4.24Å; V2292-I2392 HydrophobicContact CG1-CD1 4.09Å; V2292-I2392 HydrophobicContact CG1-CG2 3.79Å; I2339-I2392 HydrophobicContact CG2-CD1 4.13Å; I2339-I2392 HydrophobicContact CG2-CG1 3.99Å; F2343-I2392 HydrophobicContact CD1-CG2 4.14Å; F2343-I2392 HydrophobicContact CD2-CB 4.25Å; F2343-I2392 HydrophobicContact CD2-CD1 4.24Å; F2343-I2392 HydrophobicContact CD2-CG1 3.81Å; F2343-I2392 HydrophobicContact CD2-CG2 4.04Å; F2343-I2392 HydrophobicContact CE1-CG2 4.08Å; F2343-I2392 HydrophobicContact CE2-CB 4.35Å; F2343-I2392 HydrophobicContact CE2-CD1 3.71Å; F2343-I2392 HydrophobicContact CE2-CG1 3.69Å; F2343-I2392 HydrophobicContact CE2-CG2 4.02Å; F2343-I2392 HydrophobicContact CG-CG1 4.39Å; F2343-I2392 HydrophobicContact CG-CG2 4.05Å; F2343-I2392 HydrophobicContact CZ-CD1 4.22Å; F2343-I2392 HydrophobicContact CZ-CG1 4.2Å; F2343-I2392 HydrophobicContact CZ-CG2 4.08Å; P2388-I2392 VanDerWaalsContact O-CG1 3.3Å; P2388-I2392 WeakPolarHBondContact O-CG1 3.36Å; P2388-I2392 PolarHBondContact O-N 3.16Å; T2389-I2392 PolarHBondContact O-N 3.18Å; I2392-W2394 VanDerWaalsContact C-N 3.26Å; I2392-W2394 PolarHBondContact O-N 3.27Å; I2392-A2395 PolarHBondContact O-N 3.02Å; I2392-L2396 HydrophobicContact CG2-CD1 3.66Å; I2392-L2396 HydrophobicContact CG2-CG 4.15Å; I2392-L2396 WeakPolarHBondContact O-CB 3.4Å; I2392-L2396 VanDerWaalsContact O-CG 3.29Å; I2392-L2396 WeakPolarHBondContact O-CG 3.32Å; I2392-L2396 PolarHBondContact O-N 3.17Å
2393C82.1Confident77Confident15.6 Ų15.617.4 Ų17.411%0.10510%0.102CC..Hα-helixtrans-58.8-37.3175.1-71.80000112T2389 D2390 G2397T2389-C2393 WeakPolarHBondContact O-CB 3.33Å; T2389-C2393 PolarHBondContact O-N 3.1Å; T2389-C2393 PolarHBondContact O-SG 3.17Å; D2390-C2393 WeakPolarHBondContact O-CB 3.27Å; D2390-C2393 PolarHBondContact O-N 3.01Å; C2393-G2397 VanDerWaalsContact O-CA 3.28Å; C2393-G2397 WeakPolarHBondContact O-CA 3.35Å; C2393-G2397 PolarHBondContact O-N 3.01Å
2394W85.4Confident77.3Confident0.2 Ų0.222 Ų220%0.00113%0.127CC..Hα-helixtrans-65.9-47.6176.1-170.38.3000111.6F2367 A2370 D2390 L2391 I2392 L2396 G2397 L2398 W2415 E2418 G2419 I2422 F2423 F2440F2367-W2394 HydrophobicContact CB-CE3 4.35Å; F2367-W2394 HydrophobicContact CB-CZ3 4.1Å; F2367-W2394 HydrophobicContact CD1-CB 4.23Å; F2367-W2394 AromaticContact CD1-CD2 3.41Å; F2367-W2394 HydrophobicContact CD1-CD2 3.41Å; F2367-W2394 VanDerWaalsContact CD1-CD2 3.43Å; F2367-W2394 AromaticContact CD1-CE2 3.97Å; F2367-W2394 AromaticContact CD1-CE3 3.11Å; F2367-W2394 HydrophobicContact CD1-CE3 3.11Å; F2367-W2394 AromaticContact CD1-CG 3.9Å; F2367-W2394 HydrophobicContact CD1-CG 3.9Å; F2367-W2394 HydrophobicContact CD1-CH2 4.34Å; F2367-W2394 HydrophobicContact CD1-CZ2 4.41Å; F2367-W2394 AromaticContact CD1-CZ3 3.64Å; F2367-W2394 HydrophobicContact CD1-CZ3 3.64Å; F2367-W2394 HydrophobicContact CD2-CE3 4.42Å; F2367-W2394 HydrophobicContact CD2-CH2 4.47Å; F2367-W2394 HydrophobicContact CD2-CZ3 4.39Å; F2367-W2394 HydrophobicContact CE1-CB 3.71Å; F2367-W2394 AromaticContact CE1-CD1 3.75Å; F2367-W2394 AromaticContact CE1-CD2 3.19Å; F2367-W2394 HydrophobicContact CE1-CD2 3.19Å; F2367-W2394 AromaticContact CE1-CE2 3.75Å; F2367-W2394 AromaticContact CE1-CE3 3.49Å; F2367-W2394 HydrophobicContact CE1-CE3 3.49Å; F2367-W2394 VanDerWaalsContact CE1-CE3 3.46Å; F2367-W2394 AromaticContact CE1-CG 3.28Å; F2367-W2394 HydrophobicContact CE1-CG 3.28Å; F2367-W2394 HydrophobicContact CE1-CH2 4.49Å; F2367-W2394 HydrophobicContact CE1-CZ2 4.31Å; F2367-W2394 HydrophobicContact CE1-CZ3 4.24Å; F2367-W2394 AromaticContact CE1-NE1 3.89Å; F2367-W2394 HydrophobicContact CG-CD2 4.27Å; F2367-W2394 AromaticContact CG-CE3 3.79Å; F2367-W2394 HydrophobicContact CG-CE3 3.79Å; F2367-W2394 HydrophobicContact CG-CH2 4.3Å; F2367-W2394 AromaticContact CG-CZ3 3.81Å; F2367-W2394 HydrophobicContact CG-CZ3 3.81Å; F2367-W2394 AromaticContact CZ-CD1 3.99Å; F2367-W2394 AromaticContact CZ-CD2 3.91Å; F2367-W2394 HydrophobicContact CZ-CD2 3.95Å; F2367-W2394 AromaticContact CZ-CE2 3.97Å; F2367-W2394 HydrophobicContact CZ-CE3 4.39Å; F2367-W2394 AromaticContact CZ-CG 3.96Å; F2367-W2394 HydrophobicContact CZ-CG 4.06Å; F2367-W2394 HydrophobicContact CZ-CZ2 4.48Å; A2370-W2394 HydrophobicContact CB-CH2 4.08Å; A2370-W2394 HydrophobicContact CB-CZ3 4.06Å; D2390-W2394 WeakPolarHBondContact O-CB 3.39Å; D2390-W2394 PolarHBondContact O-N 3.16Å; L2391-W2394 PolarHBondContact O-N 3.27Å; I2392-W2394 VanDerWaalsContact C-N 3.26Å; I2392-W2394 PolarHBondContact O-N 3.27Å; W2394-L2396 PolarHBondContact O-N 3.18Å; W2394-G2397 PolarHBondContact O-N 3.22Å; W2394-L2398 PolarHBondContact O-N 3.42Å; W2394-W2415 AromaticContact CE2-CD1 3.71Å; W2394-W2415 AromaticContact CE2-NE1 3.54Å; W2394-W2415 AromaticContact CH2-CE2 3.61Å; W2394-W2415 HydrophobicContact CH2-CH2 4.34Å; W2394-W2415 AromaticContact CH2-CZ2 3.56Å; W2394-W2415 HydrophobicContact CH2-CZ2 3.56Å; W2394-W2415 VanDerWaalsContact CH2-CZ2 3.45Å; W2394-W2415 AromaticContact CH2-NE1 3.44Å; W2394-W2415 AromaticContact CZ2-CD1 3.55Å; W2394-W2415 VanDerWaalsContact CZ2-CD1 3.49Å; W2394-W2415 AromaticContact CZ2-CD2 3.96Å; W2394-W2415 HydrophobicContact CZ2-CD2 4Å; W2394-W2415 AromaticContact CZ2-CE2 3.32Å; W2394-W2415 HydrophobicContact CZ2-CG 4.15Å; W2394-W2415 AromaticContact CZ2-CZ2 3.73Å; W2394-W2415 HydrophobicContact CZ2-CZ2 3.73Å; W2394-W2415 AromaticContact CZ2-NE1 3Å; W2394-W2415 AromaticContact NE1-CD1 3.72Å; W2394-W2415 AromaticContact NE1-NE1 3.99Å; W2394-W2415 PolarHBondContact NE1-O 2.74Å; W2394-E2418 VanDerWaalsContact CD1-CG 3.48Å; W2394-E2418 HydrophobicContact CG-CG 4.46Å; W2394-G2419 VanDerWaalsContact CE2-CA 3.49Å; W2394-G2419 VanDerWaalsContact NE1-N 3.2Å; W2394-I2422 VanDerWaalsContact CA-CD1 3.42Å; W2394-I2422 HydrophobicContact CB-CD1 3.51Å; W2394-I2422 VanDerWaalsContact CB-CD1 3.49Å; W2394-I2422 HydrophobicContact CG-CD1 3.96Å; W2394-F2423 AromaticContact CD2-CE2 3.97Å; W2394-F2423 HydrophobicContact CD2-CE2 4.05Å; W2394-F2423 AromaticContact CE3-CE2 3.49Å; W2394-F2423 HydrophobicContact CE3-CE2 3.49Å; W2394-F2423 VanDerWaalsContact CE3-CE2 3.47Å; W2394-F2423 HydrophobicContact CE3-CZ 4.07Å; W2394-F2423 HydrophobicContact CH2-CE2 4.4Å; W2394-F2423 AromaticContact CZ3-CE2 3.71Å; W2394-F2423 HydrophobicContact CZ3-CE2 3.71Å; W2394-F2423 HydrophobicContact CZ3-CZ 4.33Å; W2394-F2440 AromaticContact CH2-CE1 3.77Å; W2394-F2440 HydrophobicContact CH2-CE1 3.77Å; W2394-F2440 AromaticContact CH2-CZ 3.52Å; W2394-F2440 HydrophobicContact CH2-CZ 3.52Å; W2394-F2440 VanDerWaalsContact CH2-CZ 3.49Å; W2394-F2440 AromaticContact CZ2-CE1 3.86Å; W2394-F2440 HydrophobicContact CZ2-CE1 3.86Å; W2394-F2440 AromaticContact CZ2-CZ 3.82Å; W2394-F2440 HydrophobicContact CZ2-CZ 3.88Å; W2394-F2440 HydrophobicContact CZ3-CZ 4.45Å
2395A81.7Confident77.4Confident0 Ų024.6 Ų24.60%015%0.147CC..Hα-helixtrans-62.5-46.5179.500000112F2343 L2344 F2367 L2391 I2392 G2397F2343-A2395 HydrophobicContact CB-CB 4.09Å; L2344-A2395 HydrophobicContact CD2-CB 3.74Å; L2344-A2395 HydrophobicContact CG-CB 3.96Å; F2367-A2395 HydrophobicContact CE1-CB 4.24Å; L2391-A2395 PolarHBondContact O-N 3.11Å; I2392-A2395 PolarHBondContact O-N 3.02Å; A2395-G2397 VanDerWaalsContact C-N 3.34Å
2396L79.8Confident77.4Confident9.2 Ų9.224.5 Ų24.55%0.04815%0.149CC..Hα-helixtrans-71.3-31.6178.7-62.3179.5000112.4V2286 P2293 F2343 V2347 I2392 W2394 L2398 S2399 Y2532V2286-L2396 HydrophobicContact CB-CD2 3.9Å; V2286-L2396 HydrophobicContact CG1-CB 3.98Å; V2286-L2396 HydrophobicContact CG1-CD1 3.84Å; V2286-L2396 HydrophobicContact CG1-CD2 3.44Å; V2286-L2396 VanDerWaalsContact CG1-CD2 3.41Å; V2286-L2396 HydrophobicContact CG1-CG 4.17Å; V2286-L2396 HydrophobicContact CG2-CD2 4.1Å; P2293-L2396 HydrophobicContact CG-CD1 4.19Å; F2343-L2396 HydrophobicContact CB-CD2 4.13Å; F2343-L2396 HydrophobicContact CB-CG 4.27Å; F2343-L2396 HydrophobicContact CD1-CD1 4.29Å; F2343-L2396 HydrophobicContact CD1-CD2 4.09Å; F2343-L2396 HydrophobicContact CD1-CG 4.42Å; F2343-L2396 HydrophobicContact CG-CD2 4.27Å; V2347-L2396 HydrophobicContact CG2-CD2 4.15Å; I2392-L2396 HydrophobicContact CG2-CD1 3.66Å; I2392-L2396 HydrophobicContact CG2-CG 4.15Å; I2392-L2396 WeakPolarHBondContact O-CB 3.4Å; I2392-L2396 VanDerWaalsContact O-CG 3.29Å; I2392-L2396 WeakPolarHBondContact O-CG 3.32Å; I2392-L2396 PolarHBondContact O-N 3.17Å; W2394-L2396 PolarHBondContact O-N 3.18Å; L2396-L2398 PolarHBondContact O-N 3.23Å; L2396-L2398 VanDerWaalsContact O-N 3.11Å; L2396-S2399 WeakPolarHBondContact O-CB 3.48Å; L2396-S2399 PolarHBondContact O-N 3.37Å; L2396-S2399 VanDerWaalsContact O-N 3.13Å; L2396-S2399 PolarHBondContact O-OG 3.3Å; L2396-S2399 VanDerWaalsContact O-OG 3.08Å; L2396-Y2532 HydrophobicContact CB-CE2 4.17Å; L2396-Y2532 HydrophobicContact CD1-CD2 4.37Å; L2396-Y2532 HydrophobicContact CD1-CE1 4.49Å; L2396-Y2532 HydrophobicContact CD1-CE2 3.58Å; L2396-Y2532 VanDerWaalsContact CD1-CE2 3.45Å; L2396-Y2532 WeakPolarHBondContact CD1-OH 3.47Å; L2396-Y2532 HydrophobicContact CG-CE2 4.47Å
2397G81.3Confident77.1Confident4.6 Ų4.626.3 Ų26.35%0.04716%0.162CC..Hα-helixtrans-59.2-30.5178.700000113.5C2393 W2394 A2395 S2399 R2400 Y2401 E2418C2393-G2397 VanDerWaalsContact O-CA 3.28Å; C2393-G2397 WeakPolarHBondContact O-CA 3.35Å; C2393-G2397 PolarHBondContact O-N 3.01Å; W2394-G2397 PolarHBondContact O-N 3.22Å; A2395-G2397 VanDerWaalsContact C-N 3.34Å; G2397-S2399 VanDerWaalsContact C-N 3.26Å; G2397-S2399 PolarHBondContact O-N 3.23Å; G2397-R2400 VanDerWaalsContact O-CB 3.31Å; G2397-R2400 WeakPolarHBondContact O-CB 3.32Å; G2397-R2400 WeakPolarHBondContact O-CG 3.25Å; G2397-R2400 PolarHBondContact O-N 3.09Å; G2397-R2400 VanDerWaalsContact O-N 3.13Å; G2397-R2400 PolarHBondContact O-NE 2.73Å; G2397-Y2401 VanDerWaalsContact O-CD2 3.28Å; G2397-Y2401 WeakPolarHBondContact O-CD2 3.43Å; G2397-Y2401 VanDerWaalsContact O-CE2 3.32Å; G2397-Y2401 WeakPolarHBondContact O-CE2 3.45Å; G2397-E2418 WeakPolarHBondContact CA-OE1 3.41Å
2398L81.6Confident76.9Confident14 Ų1428.8 Ų28.87%0.07317%0.174CC..G310 helixtrans-59.6-29.9177.9-58-178000113.1L2344 V2347 F2367 W2394 L2396 R2400 Y2401 I2414 W2415 E2418L2344-L2398 HydrophobicContact CD2-CD1 3.99Å; V2347-L2398 HydrophobicContact CG1-CB 3.97Å; F2367-L2398 HydrophobicContact CZ-CD1 4.14Å; W2394-L2398 PolarHBondContact O-N 3.42Å; L2396-L2398 PolarHBondContact O-N 3.23Å; L2396-L2398 VanDerWaalsContact O-N 3.11Å; L2398-R2400 PolarHBondContact O-N 3.04Å; L2398-R2400 VanDerWaalsContact O-N 3.14Å; L2398-Y2401 PolarHBondContact O-N 3.02Å; L2398-I2414 HydrophobicContact CD2-CG2 3.99Å; L2398-W2415 HydrophobicContact CD2-CB 4.3Å; L2398-E2418 HydrophobicContact CD2-CB 4.29Å; L2398-E2418 HydrophobicContact CD2-CG 4.46Å
2399S76.9Confident76.7Confident36.8 Ų36.832.3 Ų32.326%0.25719%0.19SC..G310 helixtrans-70.4-9.8-178.872.80000114.1L2396 G2397L2396-S2399 WeakPolarHBondContact O-CB 3.48Å; L2396-S2399 PolarHBondContact O-N 3.37Å; L2396-S2399 VanDerWaalsContact O-N 3.13Å; L2396-S2399 PolarHBondContact O-OG 3.3Å; L2396-S2399 VanDerWaalsContact O-OG 3.08Å; G2397-S2399 VanDerWaalsContact C-N 3.26Å; G2397-S2399 PolarHBondContact O-N 3.23Å
2400R79.7Confident76.5Confident20.2 Ų20.230.6 Ų30.68%0.07618%0.178CC..G310 helixtrans-83.6-17.6180-5817519.4179.6-0.4112.6G2397 L2398 E2418 H2482 L2483 R2526 H2529G2397-R2400 VanDerWaalsContact O-CB 3.31Å; G2397-R2400 WeakPolarHBondContact O-CB 3.32Å; G2397-R2400 WeakPolarHBondContact O-CG 3.25Å; G2397-R2400 PolarHBondContact O-N 3.09Å; G2397-R2400 VanDerWaalsContact O-N 3.13Å; G2397-R2400 PolarHBondContact O-NE 2.73Å; L2398-R2400 PolarHBondContact O-N 3.04Å; L2398-R2400 VanDerWaalsContact O-N 3.14Å; R2400-E2418 IonicContact CZ-OE1 3.29Å; R2400-E2418 IonicContact NE-OE1 3.98Å; R2400-E2418 IonicContact NH2-OE1 3.39Å; R2400-E2418 PolarHBondContact NH2-OE1 2.82Å; R2400-E2418 IonicContact NH2-OE2 3Å; R2400-E2418 PolarHBondContact NH2-OE2 3.21Å; R2400-H2482 CarbonylContact O-C 3.56Å; R2400-H2482 VanDerWaalsContact O-CA 3.28Å; R2400-H2482 WeakPolarHBondContact O-CA 3.36Å; R2400-L2483 HydrophobicContact CB-CD1 4.36Å; R2400-L2483 HydrophobicContact CB-CG 4.42Å; R2400-L2483 PolarHBondContact O-N 3.13Å; R2400-R2526 VanDerWaalsContact CZ-O 3.26Å; R2400-R2526 PolarHBondContact NH1-O 3.08Å; R2400-R2526 VanDerWaalsContact NH2-NE 3.15Å; R2400-R2526 VanDerWaalsContact NH2-NH2 3.13Å; R2400-R2526 PolarHBondContact NH2-O 2.99Å; R2400-H2529 PolarHBondContact NE-O 3.38Å; R2400-H2529 PolarHBondContact NH1-O 3.06Å; R2400-H2529 VanDerWaalsContact NH1-O 3.15Å; R2400-H2529 VanDerWaalsContact NH2-CB 3.28Å; R2400-H2529 PolarHBondContact NH2-O 2.74Å
2401Y82.9Confident76.3Confident13 Ų1331.3 Ų31.35%0.05118%0.182CC..BIsolated β-bridgetrans-92.2136.4-173.9-66.7-97.7000110.8G2397 L2398 N2403 I2414 Y2417 E2418 Y2463 L2483 R2526G2397-Y2401 VanDerWaalsContact O-CD2 3.28Å; G2397-Y2401 WeakPolarHBondContact O-CD2 3.43Å; G2397-Y2401 VanDerWaalsContact O-CE2 3.32Å; G2397-Y2401 WeakPolarHBondContact O-CE2 3.45Å; L2398-Y2401 PolarHBondContact O-N 3.02Å; Y2401-N2403 PolarHBondContact O-N 3.27Å; Y2401-I2414 HydrophobicContact CD1-CG1 4.31Å; Y2401-I2414 HydrophobicContact CD1-CG2 3.88Å; Y2401-I2414 HydrophobicContact CD2-CG2 3.55Å; Y2401-I2414 VanDerWaalsContact CD2-CG2 3.5Å; Y2401-I2414 HydrophobicContact CE1-CG2 4.33Å; Y2401-I2414 HydrophobicContact CE2-CG2 4.13Å; Y2401-I2414 HydrophobicContact CG-CB 4.45Å; Y2401-I2414 HydrophobicContact CG-CD1 4.5Å; Y2401-I2414 HydrophobicContact CG-CG1 4.32Å; Y2401-I2414 HydrophobicContact CG-CG2 3.42Å; Y2401-I2414 VanDerWaalsContact CG-CG2 3.42Å; Y2401-Y2417 AromaticContact CE1-CD1 3.79Å; Y2401-Y2417 HydrophobicContact CE1-CD1 3.79Å; Y2401-Y2417 HydrophobicContact CE1-CE1 4.11Å; Y2401-Y2417 AromaticContact CZ-CD1 3.97Å; Y2401-Y2417 WeakPolarHBondContact OH-CD1 3.33Å; Y2401-Y2417 WeakPolarHBondContact OH-CE1 3.29Å; Y2401-E2418 HydrophobicContact CE2-CB 4.23Å; Y2401-E2418 HydrophobicContact CE2-CG 4.37Å; Y2401-E2418 PolarHBondContact OH-OE2 3.08Å; Y2401-Y2463 AromaticContact CD1-CD1 3.53Å; Y2401-Y2463 HydrophobicContact CD1-CD1 3.53Å; Y2401-Y2463 VanDerWaalsContact CD1-CD1 3.49Å; Y2401-Y2463 HydrophobicContact CD1-CD2 4.26Å; Y2401-Y2463 HydrophobicContact CD1-CE1 4.1Å; Y2401-Y2463 AromaticContact CD1-CG 3.61Å; Y2401-Y2463 HydrophobicContact CD1-CG 3.61Å; Y2401-Y2463 VanDerWaalsContact CE1-CB 3.47Å; Y2401-Y2463 AromaticContact CE1-CD1 3.89Å; Y2401-Y2463 HydrophobicContact CE1-CD1 4.03Å; Y2401-Y2463 AromaticContact CE1-CD2 3.91Å; Y2401-Y2463 HydrophobicContact CE1-CD2 3.98Å; Y2401-Y2463 AromaticContact CE1-CG 3.59Å; Y2401-Y2463 HydrophobicContact CE1-CG 3.59Å; Y2401-Y2463 VanDerWaalsContact CE1-CG 3.47Å; Y2401-L2483 HydrophobicContact CD1-CB 3.98Å; Y2401-L2483 HydrophobicContact CD1-CD1 4.28Å; Y2401-L2483 HydrophobicContact CE1-CB 4.23Å; Y2401-L2483 HydrophobicContact CE1-CD1 3.83Å; Y2401-L2483 HydrophobicContact CE2-CD1 4.14Å; Y2401-L2483 HydrophobicContact CG-CB 4.44Å; Y2401-R2526 WeakPolarHBondContact OH-CG 3.48Å
2402V75.1Confident76.1Confident39.6 Ų39.631.9 Ų31.924%0.2419%0.185CC..  trans-76.2113.6170.9-171.50000108.5N2404 H2482 L2483 C2484V2402-N2404 VanDerWaalsContact CG1-OD1 3.26Å; V2402-N2404 WeakPolarHBondContact CG1-OD1 3.42Å; V2402-N2404 PolarHBondContact O-N 3.28Å; V2402-H2482 HydrophobicContact CG2-CB 3.46Å; V2402-H2482 VanDerWaalsContact CG2-CB 3.48Å; V2402-L2483 PolarHBondContact N-O 3.11Å; V2402-C2484 VanDerWaalsContact CG2-SG 3.58Å
2403N70.6Confident76.1Confident29.2 Ų29.231.4 Ų31.416%0.15618%0.184CC..  trans-93.295.6171-164.2-8.7000108.9V2353 Y2401 G2406 E2410 I2414V2353-N2403 WeakPolarHBondContact CG1-ND2 3.1Å; Y2401-N2403 PolarHBondContact O-N 3.27Å; N2403-G2406 WeakPolarHBondContact OD1-CA 3.37Å; N2403-G2406 PolarHBondContact OD1-N 3.17Å; N2403-E2410 VanDerWaalsContact OD1-CD 3.23Å; N2403-E2410 PolarHBondContact OD1-OE2 2.97Å; N2403-E2410 VanDerWaalsContact OD1-OE2 3.13Å; N2403-I2414 HydrophobicContact CB-CD1 4.2Å; N2403-I2414 WeakPolarHBondContact OD1-CD1 3.24Å
2404N66.7Low76.1Confident126.4 Ų126.430.8 Ų30.868%0.67618%0.18SC*.SBendtrans-74.5-39.2-173.3-76.5-35.5000112.5V2402 E2410V2402-N2404 VanDerWaalsContact CG1-OD1 3.26Å; V2402-N2404 WeakPolarHBondContact CG1-OD1 3.42Å; V2402-N2404 PolarHBondContact O-N 3.28Å; N2404-E2410 PolarHBondContact N-OE1 3.18Å; N2404-E2410 PolarHBondContact N-OE2 3.29Å
2405S65.2Low75.9Confident66.4 Ų66.431.4 Ų31.446%0.46418%0.182SC..SBendtrans-88.4-21.7-17571.10000113.5T2407 E2410S2405-T2407 PolarHBondContact O-N 3.28Å; S2405-T2407 WeakPolarHBondContact OG-CB 3.46Å; S2405-T2407 VanDerWaalsContact OG-CG2 3.32Å; S2405-T2407 WeakPolarHBondContact OG-CG2 3.34Å; S2405-T2407 PolarHBondContact OG-N 3.12Å; S2405-T2407 VanDerWaalsContact OG-N 3.16Å; S2405-T2407 PolarHBondContact OG-OG1 3.22Å; S2405-E2410 VanDerWaalsContact CB-OE2 3.22Å; S2405-E2410 WeakPolarHBondContact CB-OE2 3.33Å; S2405-E2410 PolarHBondContact N-OE2 3.32Å; S2405-E2410 PolarHBondContact OG-OE2 3.2Å
2406G66.9Low75.9Confident30.8 Ų30.831.9 Ų31.932%0.31819%0.185SC..  trans66.115.5-172.600000113.5C2352 N2403C2352-G2406 WeakPolarHBondContact O-CA 2.89Å; N2403-G2406 WeakPolarHBondContact OD1-CA 3.37Å; N2403-G2406 PolarHBondContact OD1-N 3.17Å
2407T70.1Confident76.2Confident52.8 Ų52.832.1 Ų32.132%0.32419%0.185SC..  trans-83.3155.5-177.9620000112S2405 E2409 E2410 L2411S2405-T2407 PolarHBondContact O-N 3.28Å; S2405-T2407 WeakPolarHBondContact OG-CB 3.46Å; S2405-T2407 VanDerWaalsContact OG-CG2 3.32Å; S2405-T2407 WeakPolarHBondContact OG-CG2 3.34Å; S2405-T2407 PolarHBondContact OG-N 3.12Å; S2405-T2407 VanDerWaalsContact OG-N 3.16Å; S2405-T2407 PolarHBondContact OG-OG1 3.22Å; T2407-E2409 VanDerWaalsContact C-N 3.29Å; T2407-E2409 WeakPolarHBondContact CB-OE2 3.33Å; T2407-E2409 PolarHBondContact O-N 3.37Å; T2407-E2410 PolarHBondContact O-N 3.32Å; T2407-E2410 WeakPolarHBondContact OG1-CB 3.42Å; T2407-E2410 PolarHBondContact OG1-N 3.15Å; T2407-L2411 PolarHBondContact O-N 2.97Å
2408L70.5Confident76.5Confident62.8 Ų62.831.9 Ų31.933%0.32918%0.183SC..Hα-helixtrans-64.9-38175.3179.996.9000110.4L2356 E2410 L2411 V2412 I2449L2356-L2408 HydrophobicContact CD1-CB 4.27Å; L2356-L2408 HydrophobicContact CD1-CD1 3.96Å; L2356-L2408 HydrophobicContact CD1-CG 4.01Å; L2356-L2408 HydrophobicContact CD2-CB 4.16Å; L2356-L2408 HydrophobicContact CD2-CD1 3.6Å; L2356-L2408 HydrophobicContact CD2-CD2 4.35Å; L2356-L2408 HydrophobicContact CD2-CG 4.18Å; L2356-L2408 HydrophobicContact CG-CD1 4.19Å; L2356-L2408 HydrophobicContact CG-CG 4.43Å; L2408-E2410 PolarHBondContact O-N 3.09Å; L2408-L2411 PolarHBondContact O-N 3.2Å; L2408-V2412 HydrophobicContact CD1-CG2 4.08Å; L2408-V2412 HydrophobicContact CD2-CG2 3.96Å; L2408-V2412 HydrophobicContact CG-CG2 4.21Å; L2408-V2412 WeakPolarHBondContact O-CB 3.28Å; L2408-V2412 VanDerWaalsContact O-CG2 3.23Å; L2408-V2412 WeakPolarHBondContact O-CG2 3.3Å; L2408-V2412 PolarHBondContact O-N 3.04Å; L2408-I2449 HydrophobicContact CD2-CG2 4.24Å
2409E73.2Confident76.6Confident82.4 Ų82.431.2 Ų31.239%0.38518%0.179SC..Hα-helixtrans-65.1-40.8-178.1-61.895.9177.400111.8T2407 V2412 S2413 L2452T2407-E2409 VanDerWaalsContact C-N 3.29Å; T2407-E2409 WeakPolarHBondContact CB-OE2 3.33Å; T2407-E2409 PolarHBondContact O-N 3.37Å; E2409-V2412 PolarHBondContact O-N 3.2Å; E2409-S2413 WeakPolarHBondContact O-CB 3.43Å; E2409-S2413 PolarHBondContact O-N 3.17Å; E2409-S2413 VanDerWaalsContact O-N 3.08Å; E2409-S2413 PolarHBondContact O-OG 3.26Å; E2409-L2452 HydrophobicContact CB-CD1 4.12Å; E2409-L2452 HydrophobicContact CB-CD2 4.24Å; E2409-L2452 HydrophobicContact CB-CG 3.95Å
2410E74.8Confident77Confident13 Ų1330.6 Ų30.66%0.06117%0.171CC..Hα-helixtrans-67.5-42.8174-173.6172.8-170.900111.4N2403 N2404 S2405 T2407 L2408 V2412 S2413 I2414 L2452 R2485N2403-E2410 VanDerWaalsContact OD1-CD 3.23Å; N2403-E2410 PolarHBondContact OD1-OE2 2.97Å; N2403-E2410 VanDerWaalsContact OD1-OE2 3.13Å; N2404-E2410 PolarHBondContact N-OE1 3.18Å; N2404-E2410 PolarHBondContact N-OE2 3.29Å; S2405-E2410 VanDerWaalsContact CB-OE2 3.22Å; S2405-E2410 WeakPolarHBondContact CB-OE2 3.33Å; S2405-E2410 PolarHBondContact N-OE2 3.32Å; S2405-E2410 PolarHBondContact OG-OE2 3.2Å; T2407-E2410 PolarHBondContact O-N 3.32Å; T2407-E2410 WeakPolarHBondContact OG1-CB 3.42Å; T2407-E2410 PolarHBondContact OG1-N 3.15Å; L2408-E2410 PolarHBondContact O-N 3.09Å; E2410-V2412 VanDerWaalsContact C-N 3.31Å; E2410-V2412 PolarHBondContact O-N 3.11Å; E2410-S2413 WeakPolarHBondContact O-CB 3.37Å; E2410-S2413 PolarHBondContact O-N 3.12Å; E2410-S2413 VanDerWaalsContact O-N 3.15Å; E2410-S2413 PolarHBondContact O-OG 2.72Å; E2410-I2414 HydrophobicContact CG-CD1 4.25Å; E2410-I2414 WeakPolarHBondContact O-CG1 3.3Å; E2410-I2414 PolarHBondContact O-N 3.18Å; E2410-L2452 HydrophobicContact CB-CD1 4.1Å; E2410-R2485 IonicContact OE1-NH1 3.5Å
2411L76.2Confident77.4Confident15.8 Ų15.829.7 Ų29.78%0.08317%0.168CC..Hα-helixtrans-61.3-40.9175.9-176.170.1000111.9L2348 V2353 L2356 T2407 L2408 S2413 I2414 W2415L2348-L2411 HydrophobicContact CD2-CD1 4.33Å; L2348-L2411 HydrophobicContact CD2-CD2 3.87Å; V2353-L2411 HydrophobicContact CG1-CD1 4.21Å; V2353-L2411 HydrophobicContact CG1-CD2 4.01Å; V2353-L2411 HydrophobicContact CG1-CG 4.38Å; L2356-L2411 HydrophobicContact CD1-CB 4.39Å; L2356-L2411 HydrophobicContact CD1-CD2 3.6Å; L2356-L2411 HydrophobicContact CD1-CG 4.45Å; L2356-L2411 HydrophobicContact CD2-CD2 4.14Å; L2356-L2411 HydrophobicContact CG-CD2 4.5Å; T2407-L2411 PolarHBondContact O-N 2.97Å; L2408-L2411 PolarHBondContact O-N 3.2Å; L2411-S2413 VanDerWaalsContact C-N 3.31Å; L2411-S2413 PolarHBondContact O-N 3.21Å; L2411-I2414 WeakPolarHBondContact O-CB 3.25Å; L2411-I2414 PolarHBondContact O-N 3.09Å; L2411-W2415 VanDerWaalsContact O-CB 3.31Å; L2411-W2415 WeakPolarHBondContact O-CB 3.32Å; L2411-W2415 PolarHBondContact O-N 3.14Å
2412V76.8Confident77.5Confident12.8 Ų12.829.5 Ų29.58%0.07817%0.168CC..Hα-helixtrans-65.9-37.5176.7170.90000110.8L2408 E2409 E2410 I2414 W2415 L2416 L2444 I2449 V2451L2408-V2412 HydrophobicContact CD1-CG2 4.08Å; L2408-V2412 HydrophobicContact CD2-CG2 3.96Å; L2408-V2412 HydrophobicContact CG-CG2 4.21Å; L2408-V2412 WeakPolarHBondContact O-CB 3.28Å; L2408-V2412 VanDerWaalsContact O-CG2 3.23Å; L2408-V2412 WeakPolarHBondContact O-CG2 3.3Å; L2408-V2412 PolarHBondContact O-N 3.04Å; E2409-V2412 PolarHBondContact O-N 3.2Å; E2410-V2412 VanDerWaalsContact C-N 3.31Å; E2410-V2412 PolarHBondContact O-N 3.11Å; V2412-I2414 VanDerWaalsContact C-N 3.35Å; V2412-W2415 HydrophobicContact CG1-CE3 4.33Å; V2412-W2415 WeakPolarHBondContact O-CB 3.38Å; V2412-W2415 PolarHBondContact O-N 3.09Å; V2412-L2416 HydrophobicContact CG1-CD1 4.14Å; V2412-L2416 HydrophobicContact CG1-CG 4.46Å; V2412-L2416 VanDerWaalsContact O-CB 3.28Å; V2412-L2416 WeakPolarHBondContact O-CB 3.28Å; V2412-L2416 VanDerWaalsContact O-CG 3.28Å; V2412-L2416 WeakPolarHBondContact O-CG 3.37Å; V2412-L2416 PolarHBondContact O-N 3.16Å; V2412-L2444 HydrophobicContact CG1-CD2 3.76Å; V2412-I2449 HydrophobicContact CB-CG2 4.13Å; V2412-I2449 HydrophobicContact CG1-CG2 3.82Å; V2412-I2449 HydrophobicContact CG2-CD1 4.25Å; V2412-I2449 HydrophobicContact CG2-CG2 3.67Å; V2412-V2451 HydrophobicContact CG1-CG2 3.92Å
2413S79.9Confident77.9Confident14.2 Ų14.227.7 Ų27.710%0.09916%0.157CC..Hα-helixtrans-64.1-41.6173.9-52.20000111.9E2409 E2410 L2411 L2416 Y2417 Y2463E2409-S2413 WeakPolarHBondContact O-CB 3.43Å; E2409-S2413 PolarHBondContact O-N 3.17Å; E2409-S2413 VanDerWaalsContact O-N 3.08Å; E2409-S2413 PolarHBondContact O-OG 3.26Å; E2410-S2413 WeakPolarHBondContact O-CB 3.37Å; E2410-S2413 PolarHBondContact O-N 3.12Å; E2410-S2413 VanDerWaalsContact O-N 3.15Å; E2410-S2413 PolarHBondContact O-OG 2.72Å; L2411-S2413 VanDerWaalsContact C-N 3.31Å; L2411-S2413 PolarHBondContact O-N 3.21Å; S2413-L2416 PolarHBondContact O-N 3.28Å; S2413-Y2417 VanDerWaalsContact O-CB 3.3Å; S2413-Y2417 WeakPolarHBondContact O-CB 3.34Å; S2413-Y2417 PolarHBondContact O-N 3.18Å; S2413-Y2463 PolarHBondContact OG-OH 2.94Å
2414I83.6Confident78.5Confident2.2 Ų2.226.8 Ų26.81%0.01115%0.152CC..Hα-helixtrans-63.1-46.5173.3-68.8164000110.6L2398 Y2401 N2403 E2410 L2411 V2412 L2416 Y2417 E2418 Y2463L2398-I2414 HydrophobicContact CD2-CG2 3.99Å; Y2401-I2414 HydrophobicContact CD1-CG1 4.31Å; Y2401-I2414 HydrophobicContact CD1-CG2 3.88Å; Y2401-I2414 HydrophobicContact CD2-CG2 3.55Å; Y2401-I2414 VanDerWaalsContact CD2-CG2 3.5Å; Y2401-I2414 HydrophobicContact CE1-CG2 4.33Å; Y2401-I2414 HydrophobicContact CE2-CG2 4.13Å; Y2401-I2414 HydrophobicContact CG-CB 4.45Å; Y2401-I2414 HydrophobicContact CG-CD1 4.5Å; Y2401-I2414 HydrophobicContact CG-CG1 4.32Å; Y2401-I2414 HydrophobicContact CG-CG2 3.42Å; Y2401-I2414 VanDerWaalsContact CG-CG2 3.42Å; N2403-I2414 HydrophobicContact CB-CD1 4.2Å; N2403-I2414 WeakPolarHBondContact OD1-CD1 3.24Å; E2410-I2414 HydrophobicContact CG-CD1 4.25Å; E2410-I2414 WeakPolarHBondContact O-CG1 3.3Å; E2410-I2414 PolarHBondContact O-N 3.18Å; L2411-I2414 WeakPolarHBondContact O-CB 3.25Å; L2411-I2414 PolarHBondContact O-N 3.09Å; V2412-I2414 VanDerWaalsContact C-N 3.35Å; I2414-L2416 VanDerWaalsContact C-N 3.34Å; I2414-L2416 PolarHBondContact O-N 3.19Å; I2414-Y2417 PolarHBondContact O-N 3.11Å; I2414-E2418 WeakPolarHBondContact O-CB 3.3Å; I2414-E2418 PolarHBondContact O-N 3.23Å; I2414-Y2463 HydrophobicContact CD1-CE1 4.45Å; I2414-Y2463 HydrophobicContact CG1-CE1 3.79Å; I2414-Y2463 HydrophobicContact CG1-CE2 4.35Å; I2414-Y2463 VanDerWaalsContact CG1-OH 3.29Å; I2414-Y2463 WeakPolarHBondContact CG1-OH 3.37Å
2415W81.4Confident79.4Confident13.8 Ų13.821.1 Ų21.15%0.05212%0.121CC..Hα-helixtrans-57.1-48.2178169.374.8000112S2366 F2367 W2394 L2398 L2411 V2412 E2418 G2419 F2440 I2443 L2444S2366-W2415 VanDerWaalsContact OG-CZ2 3.29Å; S2366-W2415 WeakPolarHBondContact OG-CZ2 3.4Å; F2367-W2415 AromaticContact CD2-CD1 3.86Å; F2367-W2415 HydrophobicContact CD2-CZ2 4.47Å; F2367-W2415 AromaticContact CD2-NE1 3.15Å; F2367-W2415 AromaticContact CE1-NE1 3.96Å; F2367-W2415 AromaticContact CE2-CD1 3.08Å; F2367-W2415 HydrophobicContact CE2-CG 4.34Å; F2367-W2415 AromaticContact CE2-NE1 2.88Å; F2367-W2415 AromaticContact CG-NE1 3.93Å; F2367-W2415 AromaticContact CZ-CD1 3.38Å; F2367-W2415 VanDerWaalsContact CZ-CD1 3.42Å; F2367-W2415 AromaticContact CZ-NE1 3.48Å; W2394-W2415 AromaticContact CE2-CD1 3.71Å; W2394-W2415 AromaticContact CE2-NE1 3.54Å; W2394-W2415 AromaticContact CH2-CE2 3.61Å; W2394-W2415 HydrophobicContact CH2-CH2 4.34Å; W2394-W2415 AromaticContact CH2-CZ2 3.56Å; W2394-W2415 HydrophobicContact CH2-CZ2 3.56Å; W2394-W2415 VanDerWaalsContact CH2-CZ2 3.45Å; W2394-W2415 AromaticContact CH2-NE1 3.44Å; W2394-W2415 AromaticContact CZ2-CD1 3.55Å; W2394-W2415 VanDerWaalsContact CZ2-CD1 3.49Å; W2394-W2415 AromaticContact CZ2-CD2 3.96Å; W2394-W2415 HydrophobicContact CZ2-CD2 4Å; W2394-W2415 AromaticContact CZ2-CE2 3.32Å; W2394-W2415 HydrophobicContact CZ2-CG 4.15Å; W2394-W2415 AromaticContact CZ2-CZ2 3.73Å; W2394-W2415 HydrophobicContact CZ2-CZ2 3.73Å; W2394-W2415 AromaticContact CZ2-NE1 3Å; W2394-W2415 AromaticContact NE1-CD1 3.72Å; W2394-W2415 AromaticContact NE1-NE1 3.99Å; W2394-W2415 PolarHBondContact NE1-O 2.74Å; L2398-W2415 HydrophobicContact CD2-CB 4.3Å; L2411-W2415 VanDerWaalsContact O-CB 3.31Å; L2411-W2415 WeakPolarHBondContact O-CB 3.32Å; L2411-W2415 PolarHBondContact O-N 3.14Å; V2412-W2415 HydrophobicContact CG1-CE3 4.33Å; V2412-W2415 WeakPolarHBondContact O-CB 3.38Å; V2412-W2415 PolarHBondContact O-N 3.09Å; W2415-E2418 PolarHBondContact O-N 2.73Å; W2415-G2419 PolarHBondContact O-N 3.22Å; W2415-F2440 HydrophobicContact CE3-CD1 4.43Å; W2415-F2440 HydrophobicContact CE3-CE1 4.39Å; W2415-F2440 AromaticContact CH2-CD1 3.54Å; W2415-F2440 HydrophobicContact CH2-CD1 3.54Å; W2415-F2440 VanDerWaalsContact CH2-CD1 3.43Å; W2415-F2440 AromaticContact CH2-CE1 3.47Å; W2415-F2440 HydrophobicContact CH2-CE1 3.47Å; W2415-F2440 VanDerWaalsContact CH2-CE1 3.47Å; W2415-F2440 HydrophobicContact CH2-CZ 4.48Å; W2415-F2440 HydrophobicContact CZ2-CD1 4.25Å; W2415-F2440 AromaticContact CZ2-CE1 3.73Å; W2415-F2440 HydrophobicContact CZ2-CE1 3.78Å; W2415-F2440 AromaticContact CZ3-CD1 3.73Å; W2415-F2440 HydrophobicContact CZ3-CD1 3.73Å; W2415-F2440 AromaticContact CZ3-CE1 3.86Å; W2415-F2440 HydrophobicContact CZ3-CE1 3.86Å; W2415-I2443 HydrophobicContact CH2-CG2 4.01Å; W2415-L2444 HydrophobicContact CZ3-CD1 4.42Å; W2415-L2444 HydrophobicContact CZ3-CD2 3.98Å; W2415-L2444 HydrophobicContact CZ3-CG 4.29Å
2416L80.8Confident80.3Confident10 Ų1018.6 Ų18.65%0.05210%0.102CC..Hα-helixtrans-62.6-45.9177-164.979.9000111.3V2412 S2413 I2414 E2418 G2419 R2420 F2440 L2444 V2451 I2455V2412-L2416 HydrophobicContact CG1-CD1 4.14Å; V2412-L2416 HydrophobicContact CG1-CG 4.46Å; V2412-L2416 VanDerWaalsContact O-CB 3.28Å; V2412-L2416 WeakPolarHBondContact O-CB 3.28Å; V2412-L2416 VanDerWaalsContact O-CG 3.28Å; V2412-L2416 WeakPolarHBondContact O-CG 3.37Å; V2412-L2416 PolarHBondContact O-N 3.16Å; S2413-L2416 PolarHBondContact O-N 3.28Å; I2414-L2416 VanDerWaalsContact C-N 3.34Å; I2414-L2416 PolarHBondContact O-N 3.19Å; L2416-E2418 PolarHBondContact O-N 2.97Å; L2416-G2419 PolarHBondContact O-N 3.02Å; L2416-R2420 VanDerWaalsContact O-CG 3.3Å; L2416-R2420 WeakPolarHBondContact O-CG 3.34Å; L2416-R2420 PolarHBondContact O-N 3.28Å; L2416-F2440 HydrophobicContact CD1-CB 4.1Å; L2416-F2440 HydrophobicContact CD1-CD1 3.36Å; L2416-F2440 VanDerWaalsContact CD1-CD1 3.42Å; L2416-F2440 HydrophobicContact CD1-CE1 4.03Å; L2416-F2440 HydrophobicContact CD1-CG 3.95Å; L2416-F2440 HydrophobicContact CD2-CB 4.31Å; L2416-F2440 HydrophobicContact CD2-CD1 3.37Å; L2416-F2440 HydrophobicContact CD2-CE1 4.02Å; L2416-F2440 HydrophobicContact CD2-CG 4.19Å; L2416-L2444 HydrophobicContact CD1-CD1 3.9Å; L2416-L2444 HydrophobicContact CD2-CD1 3.85Å; L2416-L2444 HydrophobicContact CG-CD1 4.34Å; L2416-V2451 HydrophobicContact CD1-CB 4.2Å; L2416-V2451 HydrophobicContact CD1-CG1 3.44Å; L2416-V2451 VanDerWaalsContact CD1-CG1 3.44Å; L2416-V2451 HydrophobicContact CD1-CG2 3.62Å; L2416-V2451 HydrophobicContact CD2-CG1 4.17Å; L2416-I2455 HydrophobicContact CD2-CG1 4.32Å
2417Y86.5Confident80.9Confident13.2 Ų13.217.3 Ų17.35%0.0529%0.088CC..Hα-helixtrans-62.3-46.7179.7-177.7-94.6000111.9Y2401 S2413 I2414 G2419 R2420 C2421 Y2462 Y2463 V2522 R2526Y2401-Y2417 AromaticContact CE1-CD1 3.79Å; Y2401-Y2417 HydrophobicContact CE1-CD1 3.79Å; Y2401-Y2417 HydrophobicContact CE1-CE1 4.11Å; Y2401-Y2417 AromaticContact CZ-CD1 3.97Å; Y2401-Y2417 WeakPolarHBondContact OH-CD1 3.33Å; Y2401-Y2417 WeakPolarHBondContact OH-CE1 3.29Å; S2413-Y2417 VanDerWaalsContact O-CB 3.3Å; S2413-Y2417 WeakPolarHBondContact O-CB 3.34Å; S2413-Y2417 PolarHBondContact O-N 3.18Å; I2414-Y2417 PolarHBondContact O-N 3.11Å; Y2417-G2419 VanDerWaalsContact C-N 3.33Å; Y2417-G2419 PolarHBondContact O-N 3.34Å; Y2417-R2420 WeakPolarHBondContact O-CB 3.35Å; Y2417-R2420 PolarHBondContact O-N 3.12Å; Y2417-C2421 VanDerWaalsContact CE1-SG 3.58Å; Y2417-C2421 PolarHBondContact O-N 3.06Å; Y2417-C2421 PolarHBondContact O-SG 3.23Å; Y2417-Y2462 AromaticContact CE2-CD1 3.9Å; Y2417-Y2462 HydrophobicContact CE2-CD1 4.01Å; Y2417-Y2463 AromaticContact CD1-CD2 3.58Å; Y2417-Y2463 HydrophobicContact CD1-CD2 3.58Å; Y2417-Y2463 HydrophobicContact CD1-CE2 4.28Å; Y2417-Y2463 HydrophobicContact CD1-CG 4.35Å; Y2417-Y2463 AromaticContact CD2-CD2 3.91Å; Y2417-Y2463 HydrophobicContact CD2-CD2 3.96Å; Y2417-Y2463 HydrophobicContact CD2-CE2 4.29Å; Y2417-Y2463 AromaticContact CE1-CD2 3.87Å; Y2417-Y2463 HydrophobicContact CE1-CD2 3.87Å; Y2417-Y2463 HydrophobicContact CE1-CG 4.39Å; Y2417-Y2463 HydrophobicContact CE2-CD2 4.23Å; Y2417-Y2463 AromaticContact CG-CD2 3.62Å; Y2417-Y2463 HydrophobicContact CG-CD2 3.62Å; Y2417-Y2463 AromaticContact CG-CE2 3.9Å; Y2417-Y2463 HydrophobicContact CG-CE2 3.96Å; Y2417-V2522 WeakPolarHBondContact OH-CG1 3.37Å; Y2417-R2526 HydrophobicContact CE1-CG 4.45Å
2418E87Confident81.1Confident0.2 Ų0.216.6 Ų16.60%0.0018%0.083CC..Hα-helixtrans-65.3-38.4178.1-176.368.516500111.5W2394 G2397 L2398 R2400 Y2401 I2414 W2415 L2416 R2420 C2421 I2422 R2526W2394-E2418 VanDerWaalsContact CD1-CG 3.48Å; W2394-E2418 HydrophobicContact CG-CG 4.46Å; G2397-E2418 WeakPolarHBondContact CA-OE1 3.41Å; L2398-E2418 HydrophobicContact CD2-CB 4.29Å; L2398-E2418 HydrophobicContact CD2-CG 4.46Å; R2400-E2418 IonicContact CZ-OE1 3.29Å; R2400-E2418 IonicContact NE-OE1 3.98Å; R2400-E2418 IonicContact NH2-OE1 3.39Å; R2400-E2418 PolarHBondContact NH2-OE1 2.82Å; R2400-E2418 IonicContact NH2-OE2 3Å; R2400-E2418 PolarHBondContact NH2-OE2 3.21Å; Y2401-E2418 HydrophobicContact CE2-CB 4.23Å; Y2401-E2418 HydrophobicContact CE2-CG 4.37Å; Y2401-E2418 PolarHBondContact OH-OE2 3.08Å; I2414-E2418 WeakPolarHBondContact O-CB 3.3Å; I2414-E2418 PolarHBondContact O-N 3.23Å; W2415-E2418 PolarHBondContact O-N 2.73Å; L2416-E2418 PolarHBondContact O-N 2.97Å; E2418-R2420 PolarHBondContact O-N 3.32Å; E2418-C2421 WeakPolarHBondContact O-CB 3.47Å; E2418-C2421 PolarHBondContact O-N 3.2Å; E2418-C2421 VanDerWaalsContact O-N 3.16Å; E2418-I2422 HydrophobicContact CG-CD1 4.08Å; E2418-I2422 WeakPolarHBondContact O-CG1 3.39Å; E2418-I2422 PolarHBondContact O-N 3.04Å; E2418-I2422 VanDerWaalsContact O-N 3.09Å; E2418-R2526 IonicContact OE1-CZ 3.35Å; E2418-R2526 IonicContact OE1-NE 3.13Å; E2418-R2526 PolarHBondContact OE1-NE 3.15Å; E2418-R2526 IonicContact OE1-NH2 3.32Å; E2418-R2526 PolarHBondContact OE1-NH2 2.99Å; E2418-R2526 IonicContact OE2-CZ 3.42Å; E2418-R2526 VanDerWaalsContact OE2-CZ 3.26Å; E2418-R2526 IonicContact OE2-NE 3.35Å; E2418-R2526 PolarHBondContact OE2-NE 3.09Å; E2418-R2526 IonicContact OE2-NH2 3.58Å; E2418-R2526 PolarHBondContact OE2-NH2 3.31Å; E2418-R2526 VanDerWaalsContact OE2-NH2 3.1Å
2419G84.4Confident81.2Confident0 Ų016.4 Ų16.40%09%0.085CC..Hα-helixtrans-60.9-46.1173.200000111.8W2394 W2415 L2416 Y2417 C2421 I2422 F2423W2394-G2419 VanDerWaalsContact CE2-CA 3.49Å; W2394-G2419 VanDerWaalsContact NE1-N 3.2Å; W2415-G2419 PolarHBondContact O-N 3.22Å; L2416-G2419 PolarHBondContact O-N 3.02Å; Y2417-G2419 VanDerWaalsContact C-N 3.33Å; Y2417-G2419 PolarHBondContact O-N 3.34Å; G2419-C2421 VanDerWaalsContact C-N 3.31Å; G2419-C2421 PolarHBondContact O-N 3.22Å; G2419-I2422 PolarHBondContact O-N 3.08Å; G2419-I2422 VanDerWaalsContact O-N 3.14Å; G2419-F2423 VanDerWaalsContact O-CD2 3.24Å; G2419-F2423 WeakPolarHBondContact O-CD2 3.19Å; G2419-F2423 PolarHBondContact O-N 3.13Å
2420R85.5Confident81.3Confident23 Ų2318.6 Ų18.69%0.0879%0.094CC..Hα-helixtrans-58.2-43.5173.9-70.9177-177.5-171.8-0.8112L2416 Y2417 E2418 I2422 F2423 E2424 D2425 F2436 I2455 E2459L2416-R2420 VanDerWaalsContact O-CG 3.3Å; L2416-R2420 WeakPolarHBondContact O-CG 3.34Å; L2416-R2420 PolarHBondContact O-N 3.28Å; Y2417-R2420 WeakPolarHBondContact O-CB 3.35Å; Y2417-R2420 PolarHBondContact O-N 3.12Å; E2418-R2420 PolarHBondContact O-N 3.32Å; R2420-I2422 VanDerWaalsContact C-N 3.26Å; R2420-I2422 PolarHBondContact O-N 3.09Å; R2420-F2423 PolarHBondContact O-N 3.36Å; R2420-E2424 HydrophobicContact CB-CB 4.15Å; R2420-E2424 WeakPolarHBondContact CB-OE2 3.31Å; R2420-E2424 WeakPolarHBondContact CD-OE2 3.26Å; R2420-E2424 HydrophobicContact CG-CB 4.44Å; R2420-E2424 VanDerWaalsContact CG-OE2 3.24Å; R2420-E2424 WeakPolarHBondContact CG-OE2 3.34Å; R2420-E2424 WeakPolarHBondContact O-CA 3.29Å; R2420-E2424 VanDerWaalsContact O-CB 3.26Å; R2420-E2424 WeakPolarHBondContact O-CB 3.3Å; R2420-E2424 PolarHBondContact O-N 2.97Å; R2420-D2425 PolarHBondContact O-N 3.22Å; R2420-F2436 HydrophobicContact CG-CE1 4.15Å; R2420-I2455 PolarHBondContact NH2-O 3.11Å; R2420-E2459 WeakPolarHBondContact CD-OE1 3.36Å; R2420-E2459 IonicContact CZ-OE1 3.34Å; R2420-E2459 IonicContact NH1-OE1 3.32Å; R2420-E2459 PolarHBondContact NH1-OE1 3.03Å
2421C87.5Confident81.5Confident1.6 Ų1.625.8 Ų25.81%0.01113%0.128CC..Hα-helixtrans-64.1-27.8178.8-65.40000113.7Y2417 E2418 G2419 D2425 R2523Y2417-C2421 VanDerWaalsContact CE1-SG 3.58Å; Y2417-C2421 PolarHBondContact O-N 3.06Å; Y2417-C2421 PolarHBondContact O-SG 3.23Å; E2418-C2421 WeakPolarHBondContact O-CB 3.47Å; E2418-C2421 PolarHBondContact O-N 3.2Å; E2418-C2421 VanDerWaalsContact O-N 3.16Å; G2419-C2421 VanDerWaalsContact C-N 3.31Å; G2419-C2421 PolarHBondContact O-N 3.22Å; C2421-D2425 WeakPolarHBondContact CA-OD2 3.29Å; C2421-D2425 WeakPolarHBondContact O-CB 3.42Å; C2421-R2523 VanDerWaalsContact SG-CD 3.55Å; C2421-R2523 WeakPolarHBondContact SG-CD 3.37Å; C2421-R2523 PolarHBondContact SG-NH1 2.94Å
2422I85Confident81.4Confident9.8 Ų9.827 Ų275%0.0513%0.133CC..Hα-helixtrans-90-41-178.3-69.6171.2000111.7D2390 W2394 E2418 G2419 R2420 R2426D2390-I2422 HydrophobicContact CB-CG2 4.1Å; W2394-I2422 VanDerWaalsContact CA-CD1 3.42Å; W2394-I2422 HydrophobicContact CB-CD1 3.51Å; W2394-I2422 VanDerWaalsContact CB-CD1 3.49Å; W2394-I2422 HydrophobicContact CG-CD1 3.96Å; E2418-I2422 HydrophobicContact CG-CD1 4.08Å; E2418-I2422 WeakPolarHBondContact O-CG1 3.39Å; E2418-I2422 PolarHBondContact O-N 3.04Å; E2418-I2422 VanDerWaalsContact O-N 3.09Å; G2419-I2422 PolarHBondContact O-N 3.08Å; G2419-I2422 VanDerWaalsContact O-N 3.14Å; R2420-I2422 VanDerWaalsContact C-N 3.26Å; R2420-I2422 PolarHBondContact O-N 3.09Å; I2422-R2426 WeakPolarHBondContact O-CG 3.35Å; I2422-R2426 PolarHBondContact O-NE 3.22Å
2423F82.9Confident81.6Confident0.4 Ų0.428.2 Ų28.20%0.00214%0.137CC..THydrogen-bonded Turntrans-105-56.7-171.9-60.3-82.3000112.4M2371 F2386 W2394 G2419 R2420 D2425 R2426 F2436M2371-F2423 HydrophobicContact CB-CZ 4.49Å; F2386-F2423 HydrophobicContact CB-CE1 4.18Å; F2386-F2423 AromaticContact CD1-CD1 3.35Å; F2386-F2423 HydrophobicContact CD1-CD1 3.35Å; F2386-F2423 AromaticContact CD1-CE1 3.59Å; F2386-F2423 HydrophobicContact CD1-CE1 3.59Å; F2386-F2423 HydrophobicContact CD1-CG 4.43Å; F2386-F2423 AromaticContact CD2-CD1 3.99Å; F2386-F2423 HydrophobicContact CD2-CD1 4.1Å; F2386-F2423 HydrophobicContact CD2-CE1 4.42Å; F2386-F2423 HydrophobicContact CE1-CB 4.19Å; F2386-F2423 AromaticContact CE1-CD1 3.33Å; F2386-F2423 HydrophobicContact CE1-CD1 3.33Å; F2386-F2423 HydrophobicContact CE1-CE1 4.08Å; F2386-F2423 HydrophobicContact CE1-CG 4.13Å; F2386-F2423 HydrophobicContact CE2-CD1 4.08Å; F2386-F2423 AromaticContact CG-CD1 3.76Å; F2386-F2423 HydrophobicContact CG-CD1 3.76Å; F2386-F2423 AromaticContact CG-CE1 3.8Å; F2386-F2423 HydrophobicContact CG-CE1 3.8Å; F2386-F2423 HydrophobicContact CZ-CB 4.21Å; F2386-F2423 AromaticContact CZ-CD1 3.72Å; F2386-F2423 HydrophobicContact CZ-CD1 3.72Å; F2386-F2423 HydrophobicContact CZ-CG 4.4Å; W2394-F2423 AromaticContact CD2-CE2 3.97Å; W2394-F2423 HydrophobicContact CD2-CE2 4.05Å; W2394-F2423 AromaticContact CE3-CE2 3.49Å; W2394-F2423 HydrophobicContact CE3-CE2 3.49Å; W2394-F2423 VanDerWaalsContact CE3-CE2 3.47Å; W2394-F2423 HydrophobicContact CE3-CZ 4.07Å; W2394-F2423 HydrophobicContact CH2-CE2 4.4Å; W2394-F2423 AromaticContact CZ3-CE2 3.71Å; W2394-F2423 HydrophobicContact CZ3-CE2 3.71Å; W2394-F2423 HydrophobicContact CZ3-CZ 4.33Å; G2419-F2423 VanDerWaalsContact O-CD2 3.24Å; G2419-F2423 WeakPolarHBondContact O-CD2 3.19Å; G2419-F2423 PolarHBondContact O-N 3.13Å; R2420-F2423 PolarHBondContact O-N 3.36Å; F2423-D2425 VanDerWaalsContact C-N 3.31Å; F2423-D2425 PolarHBondContact O-N 3.1Å; F2423-R2426 PolarHBondContact O-N 3.15Å; F2423-R2426 VanDerWaalsContact O-N 3.14Å; F2423-F2436 HydrophobicContact CB-CD2 4.07Å; F2423-F2436 HydrophobicContact CB-CE2 3.2Å; F2423-F2436 HydrophobicContact CB-CZ 3.58Å; F2423-F2436 VanDerWaalsContact CB-CZ 3.47Å; F2423-F2436 HydrophobicContact CD2-CE2 4.37Å; F2423-F2436 HydrophobicContact CD2-CZ 4.41Å; F2423-F2436 AromaticContact CG-CE2 3.92Å; F2423-F2436 HydrophobicContact CG-CE2 3.94Å; F2423-F2436 HydrophobicContact CG-CZ 4.35Å
2424E83.7Confident81.6Confident11.4 Ų11.430.9 Ų30.95%0.05315%0.148CC..G310 helixtrans-61.6-38.4-176-166.7-175.2-178.800112.2R2420 R2426 L2427 K2433 F2436 K2437R2420-E2424 HydrophobicContact CB-CB 4.15Å; R2420-E2424 WeakPolarHBondContact CB-OE2 3.31Å; R2420-E2424 WeakPolarHBondContact CD-OE2 3.26Å; R2420-E2424 HydrophobicContact CG-CB 4.44Å; R2420-E2424 VanDerWaalsContact CG-OE2 3.24Å; R2420-E2424 WeakPolarHBondContact CG-OE2 3.34Å; R2420-E2424 WeakPolarHBondContact O-CA 3.29Å; R2420-E2424 VanDerWaalsContact O-CB 3.26Å; R2420-E2424 WeakPolarHBondContact O-CB 3.3Å; R2420-E2424 PolarHBondContact O-N 2.97Å; E2424-R2426 PolarHBondContact O-N 3.22Å; E2424-R2426 VanDerWaalsContact O-N 3.17Å; E2424-L2427 WeakPolarHBondContact O-CB 3.38Å; E2424-L2427 PolarHBondContact O-N 3.11Å; E2424-L2427 VanDerWaalsContact O-N 3.12Å; E2424-K2433 HydrophobicContact CG-CB 4.45Å; E2424-K2433 HydrophobicContact CG-CD 4.33Å; E2424-K2433 HydrophobicContact CG-CG 4.01Å; E2424-K2433 WeakPolarHBondContact O-CE 3.38Å; E2424-F2436 HydrophobicContact CB-CD1 3.85Å; E2424-F2436 HydrophobicContact CB-CE1 3.72Å; E2424-F2436 HydrophobicContact CB-CZ 4.36Å; E2424-F2436 HydrophobicContact CG-CD1 4.09Å; E2424-F2436 HydrophobicContact CG-CE1 4.38Å; E2424-K2437 VanDerWaalsContact OE1-CE 3.24Å; E2424-K2437 WeakPolarHBondContact OE1-CE 3.4Å; E2424-K2437 IonicContact OE1-NZ 3.24Å
2425D86.5Confident81.3Confident7.2 Ų7.237.5 Ų37.54%0.03917%0.173CC..G310 helixtrans-64.7-21.6-179.7-77.1-3.6000112.9R2420 C2421 F2423 R2523 V2690 I2691 S2692R2420-D2425 PolarHBondContact O-N 3.22Å; C2421-D2425 WeakPolarHBondContact CA-OD2 3.29Å; C2421-D2425 WeakPolarHBondContact O-CB 3.42Å; F2423-D2425 VanDerWaalsContact C-N 3.31Å; F2423-D2425 PolarHBondContact O-N 3.1Å; D2425-R2523 VanDerWaalsContact CG-NH1 3.33Å; D2425-R2523 IonicContact OD1-CZ 3.2Å; D2425-R2523 IonicContact OD1-NE 3.54Å; D2425-R2523 PolarHBondContact OD1-NE 2.94Å; D2425-R2523 IonicContact OD1-NH1 3.14Å; D2425-R2523 PolarHBondContact OD1-NH1 3.26Å; D2425-R2523 IonicContact OD1-NH2 2.82Å; D2425-R2523 PolarHBondContact OD1-NH2 3.5Å; D2425-R2523 VanDerWaalsContact OD2-CD 3.24Å; D2425-R2523 WeakPolarHBondContact OD2-CD 3.39Å; D2425-R2523 IonicContact OD2-CZ 3.45Å; D2425-R2523 IonicContact OD2-NE 3.2Å; D2425-R2523 IonicContact OD2-NH1 3.49Å; D2425-R2523 PolarHBondContact OD2-NH1 3.02Å; D2425-V2690 CarbonylContact C-O 3.51Å; D2425-I2691 HydrophobicContact CB-CG2 4.11Å; D2425-I2691 CarbonylContact O-C 3.45Å; D2425-I2691 WeakPolarHBondContact O-CA 3.38Å; D2425-S2692 WeakPolarHBondContact O-CB 3.42Å; D2425-S2692 PolarHBondContact O-N 3.27Å
2426R83.8Confident81.2Confident13.8 Ų13.837 Ų375%0.05217%0.171CC..G310 helixtrans-79.2-28.5174-53.8-161.9-172.9166.52.7112.4N2383 Y2384 F2386 D2390 I2422 F2423 E2424 V2690 S2692N2383-R2426 WeakPolarHBondContact O-CD 3.46Å; Y2384-R2426 HydrophobicContact CD1-CB 4.42Å; Y2384-R2426 VanDerWaalsContact CE1-O 3.26Å; Y2384-R2426 WeakPolarHBondContact CE1-O 3.25Å; F2386-R2426 HydrophobicContact CE1-CG 4.42Å; D2390-R2426 VanDerWaalsContact CG-NH2 3.29Å; D2390-R2426 IonicContact OD1-CZ 3.24Å; D2390-R2426 IonicContact OD1-NH1 3.27Å; D2390-R2426 PolarHBondContact OD1-NH1 3.45Å; D2390-R2426 IonicContact OD1-NH2 3.28Å; D2390-R2426 PolarHBondContact OD1-NH2 3.35Å; D2390-R2426 IonicContact OD2-CZ 2.74Å; D2390-R2426 IonicContact OD2-NH1 2.92Å; D2390-R2426 PolarHBondContact OD2-NH1 3Å; D2390-R2426 IonicContact OD2-NH2 3.27Å; I2422-R2426 WeakPolarHBondContact O-CG 3.35Å; I2422-R2426 PolarHBondContact O-NE 3.22Å; F2423-R2426 PolarHBondContact O-N 3.15Å; F2423-R2426 VanDerWaalsContact O-N 3.14Å; E2424-R2426 PolarHBondContact O-N 3.22Å; E2424-R2426 VanDerWaalsContact O-N 3.17Å; R2426-V2690 HydrophobicContact CG-CB 4.14Å; R2426-S2692 WeakPolarHBondContact O-CB 3.29Å; R2426-S2692 PolarHBondContact O-OG 2.93Å; R2426-S2692 VanDerWaalsContact O-OG 3.1Å
2427L79.1Confident81.1Confident3.4 Ų3.438.6 Ų38.62%0.01818%0.178CC..  trans-67.1137.4-174.6-54.9178.9000110.8F2376 L2378 Y2384 E2424 E2432 K2433 F2436 S2692F2376-L2427 HydrophobicContact CD2-CD2 3.8Å; F2376-L2427 HydrophobicContact CE2-CD1 4.04Å; F2376-L2427 HydrophobicContact CE2-CD2 3.59Å; F2376-L2427 HydrophobicContact CE2-CG 4.47Å; F2376-L2427 HydrophobicContact CZ-CD1 4.11Å; F2376-L2427 HydrophobicContact CZ-CD2 4.21Å; L2378-L2427 HydrophobicContact CD1-CD2 3.95Å; Y2384-L2427 HydrophobicContact CD1-CD2 4.11Å; Y2384-L2427 HydrophobicContact CE1-CD2 4.19Å; Y2384-L2427 HydrophobicContact CG-CD2 4.41Å; E2424-L2427 WeakPolarHBondContact O-CB 3.38Å; E2424-L2427 PolarHBondContact O-N 3.11Å; E2424-L2427 VanDerWaalsContact O-N 3.12Å; L2427-E2432 HydrophobicContact CB-CB 4.17Å; L2427-E2432 HydrophobicContact CD1-CB 4.24Å; L2427-E2432 HydrophobicContact CD2-CB 4.26Å; L2427-E2432 HydrophobicContact CG-CB 4.38Å; L2427-K2433 HydrophobicContact CB-CG 3.79Å; L2427-K2433 HydrophobicContact CD1-CG 4.27Å; L2427-K2433 WeakPolarHBondContact O-CE 3.36Å; L2427-K2433 PolarHBondContact O-NZ 3.12Å; L2427-K2433 VanDerWaalsContact O-NZ 3.13Å; L2427-F2436 HydrophobicContact CD1-CB 3.59Å; L2427-F2436 HydrophobicContact CD1-CD2 4.29Å; L2427-F2436 HydrophobicContact CD1-CG 3.98Å; L2427-S2692 WeakPolarHBondContact O-CB 3.31Å
2428V73.4Confident80.8Confident38.2 Ų38.240.6 Ų40.623%0.23219%0.194CC..  trans-97.2-48.4-176-179.30000110.1Y2384 E2432 S2692Y2384-V2428 HydrophobicContact CE1-CG2 4.24Å; Y2384-V2428 WeakPolarHBondContact OH-CB 3.26Å; Y2384-V2428 VanDerWaalsContact OH-CG2 3.26Å; Y2384-V2428 WeakPolarHBondContact OH-CG2 3.34Å; Y2384-V2428 PolarHBondContact OH-N 3.38Å; V2428-E2432 PolarHBondContact N-OE2 3.21Å; V2428-E2432 VanDerWaalsContact N-OE2 3.13Å; V2428-S2692 VanDerWaalsContact CG2-OG 3.28Å; V2428-S2692 WeakPolarHBondContact CG2-OG 3.27Å
2429T73.3Confident80.3Confident58.4 Ų58.441.3 Ų41.336%0.35820%0.199SC..SBendtrans-87153.9-171.971.10000112.7E2431 E2432 K2433T2429-E2431 VanDerWaalsContact C-N 3.32Å; T2429-E2431 PolarHBondContact O-N 3.05Å; T2429-E2432 WeakPolarHBondContact CB-OE2 3.38Å; T2429-E2432 WeakPolarHBondContact CG2-OE2 3.36Å; T2429-E2432 PolarHBondContact N-OE2 2.87Å; T2429-E2432 PolarHBondContact O-N 3.37Å; T2429-E2432 WeakPolarHBondContact OG1-CB 3.38Å; T2429-E2432 WeakPolarHBondContact OG1-CG 3.31Å; T2429-E2432 PolarHBondContact OG1-N 3.11Å; T2429-E2432 PolarHBondContact OG1-OE2 3.13Å; T2429-K2433 WeakPolarHBondContact O-CG 3.31Å; T2429-K2433 PolarHBondContact O-N 3.25Å
2430H76.3Confident79.9Confident128 Ų12841.5 Ų41.559%0.59320%0.199SC*.Hα-helixtrans-64.4-37.1175.1-175.3-82.2000112.2E2432 K2433 E2434H2430-E2432 PolarHBondContact O-N 3.13Å; H2430-K2433 PolarHBondContact O-N 3.12Å; H2430-E2434 VanDerWaalsContact CE1-CG 3.4Å; H2430-E2434 WeakPolarHBondContact CE1-CG 3.32Å; H2430-E2434 IonicContact CE1-OE1 3.22Å; H2430-E2434 WeakPolarHBondContact O-CG 3.32Å; H2430-E2434 PolarHBondContact O-N 3.22Å
2431E77Confident79.5Confident164.6 Ų164.644.9 Ų44.977%0.76921%0.212SC*.Hα-helixtrans-63.2-44.2179.1-65.9179.4-176.800111.7T2429 K2433 E2434 R2435T2429-E2431 VanDerWaalsContact C-N 3.32Å; T2429-E2431 PolarHBondContact O-N 3.05Å; E2431-K2433 VanDerWaalsContact C-N 3.34Å; E2431-K2433 PolarHBondContact O-N 3.16Å; E2431-E2434 PolarHBondContact O-N 3.19Å; E2431-R2435 VanDerWaalsContact O-CB 3.32Å; E2431-R2435 WeakPolarHBondContact O-CB 3.22Å; E2431-R2435 PolarHBondContact O-N 3Å
2432E75.9Confident79Confident40.8 Ų40.850 Ų5019%0.19124%0.236CC..Hα-helixtrans-60.4-44.6173.9-71.4160.2158.400111.3F2376 L2378 Y2384 L2427 V2428 T2429 H2430 E2434 R2435 F2436F2376-E2432 HydrophobicContact CE1-CB 4.38Å; F2376-E2432 HydrophobicContact CE1-CG 4.43Å; L2378-E2432 HydrophobicContact CD2-CG 4.26Å; Y2384-E2432 WeakPolarHBondContact CE2-OE1 3.25Å; Y2384-E2432 PolarHBondContact OH-OE1 2.77Å; Y2384-E2432 PolarHBondContact OH-OE2 2.99Å; Y2384-E2432 VanDerWaalsContact OH-OE2 3.07Å; L2427-E2432 HydrophobicContact CB-CB 4.17Å; L2427-E2432 HydrophobicContact CD1-CB 4.24Å; L2427-E2432 HydrophobicContact CD2-CB 4.26Å; L2427-E2432 HydrophobicContact CG-CB 4.38Å; V2428-E2432 PolarHBondContact N-OE2 3.21Å; V2428-E2432 VanDerWaalsContact N-OE2 3.13Å; T2429-E2432 WeakPolarHBondContact CB-OE2 3.38Å; T2429-E2432 WeakPolarHBondContact CG2-OE2 3.36Å; T2429-E2432 PolarHBondContact N-OE2 2.87Å; T2429-E2432 PolarHBondContact O-N 3.37Å; T2429-E2432 WeakPolarHBondContact OG1-CB 3.38Å; T2429-E2432 WeakPolarHBondContact OG1-CG 3.31Å; T2429-E2432 PolarHBondContact OG1-N 3.11Å; T2429-E2432 PolarHBondContact OG1-OE2 3.13Å; H2430-E2432 PolarHBondContact O-N 3.13Å; E2432-E2434 PolarHBondContact O-N 3.07Å; E2432-R2435 PolarHBondContact O-N 3.01Å; E2432-F2436 WeakPolarHBondContact O-CB 3.29Å; E2432-F2436 PolarHBondContact O-N 3.17Å
2433K79.6Confident78.4Confident37.6 Ų37.649.7 Ų49.716%0.16323%0.234CC..Hα-helixtrans-64.8-39.9179.1-71.1-179.7-179.2176.30112.5E2424 L2427 T2429 H2430 E2431 F2436 K2437 S2692E2424-K2433 HydrophobicContact CG-CB 4.45Å; E2424-K2433 HydrophobicContact CG-CD 4.33Å; E2424-K2433 HydrophobicContact CG-CG 4.01Å; E2424-K2433 WeakPolarHBondContact O-CE 3.38Å; L2427-K2433 HydrophobicContact CB-CG 3.79Å; L2427-K2433 HydrophobicContact CD1-CG 4.27Å; L2427-K2433 WeakPolarHBondContact O-CE 3.36Å; L2427-K2433 PolarHBondContact O-NZ 3.12Å; L2427-K2433 VanDerWaalsContact O-NZ 3.13Å; T2429-K2433 WeakPolarHBondContact O-CG 3.31Å; T2429-K2433 PolarHBondContact O-N 3.25Å; H2430-K2433 PolarHBondContact O-N 3.12Å; E2431-K2433 VanDerWaalsContact C-N 3.34Å; E2431-K2433 PolarHBondContact O-N 3.16Å; K2433-F2436 WeakPolarHBondContact O-CB 3.4Å; K2433-F2436 PolarHBondContact O-N 3.21Å; K2433-K2437 VanDerWaalsContact O-CG 3.28Å; K2433-K2437 WeakPolarHBondContact O-CG 3.38Å; K2433-K2437 PolarHBondContact O-N 3.19Å; K2433-S2692 PolarHBondContact NZ-O 2.84Å
2434E81.2Confident77.9Confident71 Ų7150 Ų5033%0.33224%0.236SC..Hα-helixtrans-70-39.1175.9-72.7-53.6122.700112.3H2430 E2431 E2432 F2436 K2437 S2438 R2441H2430-E2434 VanDerWaalsContact CE1-CG 3.4Å; H2430-E2434 WeakPolarHBondContact CE1-CG 3.32Å; H2430-E2434 IonicContact CE1-OE1 3.22Å; H2430-E2434 WeakPolarHBondContact O-CG 3.32Å; H2430-E2434 PolarHBondContact O-N 3.22Å; E2431-E2434 PolarHBondContact O-N 3.19Å; E2432-E2434 PolarHBondContact O-N 3.07Å; E2434-F2436 VanDerWaalsContact C-N 3.31Å; E2434-F2436 PolarHBondContact O-N 3.02Å; E2434-K2437 PolarHBondContact O-N 3.06Å; E2434-K2437 WeakPolarHBondContact OE1-CD 3.36Å; E2434-K2437 WeakPolarHBondContact OE1-CE 3.41Å; E2434-K2437 IonicContact OE1-NZ 3.5Å; E2434-K2437 PolarHBondContact OE1-NZ 3.24Å; E2434-S2438 WeakPolarHBondContact O-CB 3.48Å; E2434-S2438 PolarHBondContact O-N 2.98Å; E2434-R2441 IonicContact OE2-NH2 3.45Å
2435R77.3Confident77.5Confident140.6 Ų140.655.7 Ų55.753%0.53126%0.263SS..Hα-helixtrans-61.5-41.8172-174.7176176.8-175.5-2.2111.4F2376 D2377 E2431 E2432 K2437 S2438 V2439F2376-R2435 HydrophobicContact CE1-CG 4.29Å; F2376-R2435 HydrophobicContact CZ-CG 4.31Å; D2377-R2435 IonicContact OD2-CZ 3.14Å; D2377-R2435 IonicContact OD2-NH1 3.22Å; D2377-R2435 PolarHBondContact OD2-NH1 2.99Å; D2377-R2435 IonicContact OD2-NH2 3.42Å; D2377-R2435 PolarHBondContact OD2-NH2 3.2Å; D2377-R2435 VanDerWaalsContact OD2-NH2 3.12Å; E2431-R2435 VanDerWaalsContact O-CB 3.32Å; E2431-R2435 WeakPolarHBondContact O-CB 3.22Å; E2431-R2435 PolarHBondContact O-N 3Å; E2432-R2435 PolarHBondContact O-N 3.01Å; R2435-K2437 VanDerWaalsContact C-N 3.32Å; R2435-K2437 PolarHBondContact O-N 3.49Å; R2435-S2438 WeakPolarHBondContact O-CB 3.36Å; R2435-S2438 PolarHBondContact O-N 3.23Å; R2435-S2438 VanDerWaalsContact O-N 3.16Å; R2435-S2438 PolarHBondContact O-OG 2.97Å; R2435-V2439 WeakPolarHBondContact O-CG2 3.35Å; R2435-V2439 PolarHBondContact O-N 3.17Å; R2435-V2439 VanDerWaalsContact O-N 3.14Å
2436F77.7Confident76.8Confident3.6 Ų3.660 Ų602%0.01629%0.285CS..Hα-helixtrans-59.9-47.2173.7175.5-94000112T2374 F2376 R2420 F2423 E2424 L2427 E2432 K2433 E2434 S2438 V2439 F2440T2374-F2436 HydrophobicContact CG2-CD2 3.58Å; T2374-F2436 HydrophobicContact CG2-CE2 3.91Å; F2376-F2436 HydrophobicContact CZ-CB 4.46Å; R2420-F2436 HydrophobicContact CG-CE1 4.15Å; F2423-F2436 HydrophobicContact CB-CD2 4.07Å; F2423-F2436 HydrophobicContact CB-CE2 3.2Å; F2423-F2436 HydrophobicContact CB-CZ 3.58Å; F2423-F2436 VanDerWaalsContact CB-CZ 3.47Å; F2423-F2436 HydrophobicContact CD2-CE2 4.37Å; F2423-F2436 HydrophobicContact CD2-CZ 4.41Å; F2423-F2436 AromaticContact CG-CE2 3.92Å; F2423-F2436 HydrophobicContact CG-CE2 3.94Å; F2423-F2436 HydrophobicContact CG-CZ 4.35Å; E2424-F2436 HydrophobicContact CB-CD1 3.85Å; E2424-F2436 HydrophobicContact CB-CE1 3.72Å; E2424-F2436 HydrophobicContact CB-CZ 4.36Å; E2424-F2436 HydrophobicContact CG-CD1 4.09Å; E2424-F2436 HydrophobicContact CG-CE1 4.38Å; L2427-F2436 HydrophobicContact CD1-CB 3.59Å; L2427-F2436 HydrophobicContact CD1-CD2 4.29Å; L2427-F2436 HydrophobicContact CD1-CG 3.98Å; E2432-F2436 WeakPolarHBondContact O-CB 3.29Å; E2432-F2436 PolarHBondContact O-N 3.17Å; K2433-F2436 WeakPolarHBondContact O-CB 3.4Å; K2433-F2436 PolarHBondContact O-N 3.21Å; E2434-F2436 VanDerWaalsContact C-N 3.31Å; E2434-F2436 PolarHBondContact O-N 3.02Å; F2436-S2438 VanDerWaalsContact C-N 3.3Å; F2436-S2438 PolarHBondContact O-N 3.05Å; F2436-V2439 WeakPolarHBondContact O-CB 3.38Å; F2436-V2439 PolarHBondContact O-N 3.22Å; F2436-F2440 HydrophobicContact CD1-CD2 4.37Å; F2436-F2440 HydrophobicContact CD2-CD2 4.41Å; F2436-F2440 HydrophobicContact CD2-CE2 4.22Å; F2436-F2440 AromaticContact CE1-CD2 3.83Å; F2436-F2440 HydrophobicContact CE1-CD2 3.83Å; F2436-F2440 AromaticContact CE1-CE2 3.8Å; F2436-F2440 HydrophobicContact CE1-CE2 3.8Å; F2436-F2440 HydrophobicContact CE1-CZ 4.48Å; F2436-F2440 AromaticContact CE2-CD2 3.88Å; F2436-F2440 HydrophobicContact CE2-CD2 3.92Å; F2436-F2440 AromaticContact CE2-CE2 3.33Å; F2436-F2440 HydrophobicContact CE2-CE2 3.33Å; F2436-F2440 VanDerWaalsContact CE2-CE2 3.42Å; F2436-F2440 HydrophobicContact CE2-CZ 4.26Å; F2436-F2440 AromaticContact CZ-CD2 3.6Å; F2436-F2440 HydrophobicContact CZ-CD2 3.6Å; F2436-F2440 AromaticContact CZ-CE2 3.07Å; F2436-F2440 HydrophobicContact CZ-CE2 3.07Å; F2436-F2440 AromaticContact CZ-CZ 3.77Å; F2436-F2440 HydrophobicContact CZ-CZ 3.77Å; F2436-F2440 PolarHBondContact O-N 2.99Å; F2436-F2440 VanDerWaalsContact O-N 3.16Å
2437K79.6Confident76Confident43.4 Ų43.462.8 Ų62.819%0.18930%0.299CS..Hα-helixtrans-63.3-34.1176.7-70.1169.5-165.4169.60112.6E2424 K2433 E2434 R2435 F2440 R2441 I2455E2424-K2437 VanDerWaalsContact OE1-CE 3.24Å; E2424-K2437 WeakPolarHBondContact OE1-CE 3.4Å; E2424-K2437 IonicContact OE1-NZ 3.24Å; K2433-K2437 VanDerWaalsContact O-CG 3.28Å; K2433-K2437 WeakPolarHBondContact O-CG 3.38Å; K2433-K2437 PolarHBondContact O-N 3.19Å; E2434-K2437 PolarHBondContact O-N 3.06Å; E2434-K2437 WeakPolarHBondContact OE1-CD 3.36Å; E2434-K2437 WeakPolarHBondContact OE1-CE 3.41Å; E2434-K2437 IonicContact OE1-NZ 3.5Å; E2434-K2437 PolarHBondContact OE1-NZ 3.24Å; R2435-K2437 VanDerWaalsContact C-N 3.32Å; R2435-K2437 PolarHBondContact O-N 3.49Å; K2437-F2440 PolarHBondContact O-N 3.22Å; K2437-R2441 WeakPolarHBondContact O-CB 3.42Å; K2437-R2441 PolarHBondContact O-N 3.2Å; K2437-I2455 HydrophobicContact CB-CG2 4.5Å
2438S81.2Confident75.4Confident56.4 Ų56.471.7 Ų71.739%0.39434%0.338SS..Hα-helixtrans-65.7-40.7176.787.40000111.8E2434 R2435 F2436 F2440 R2441 E2442E2434-S2438 WeakPolarHBondContact O-CB 3.48Å; E2434-S2438 PolarHBondContact O-N 2.98Å; R2435-S2438 WeakPolarHBondContact O-CB 3.36Å; R2435-S2438 PolarHBondContact O-N 3.23Å; R2435-S2438 VanDerWaalsContact O-N 3.16Å; R2435-S2438 PolarHBondContact O-OG 2.97Å; F2436-S2438 VanDerWaalsContact C-N 3.3Å; F2436-S2438 PolarHBondContact O-N 3.05Å; S2438-F2440 VanDerWaalsContact C-N 3.33Å; S2438-F2440 PolarHBondContact O-N 2.96Å; S2438-R2441 WeakPolarHBondContact O-CB 3.44Å; S2438-R2441 PolarHBondContact O-N 3.1Å; S2438-R2441 VanDerWaalsContact O-N 3.13Å; S2438-E2442 WeakPolarHBondContact O-CB 3.26Å; S2438-E2442 WeakPolarHBondContact O-CG 3.37Å; S2438-E2442 PolarHBondContact O-N 3.02Å
2439V76Confident75Confident15 Ų1572.3 Ų72.39%0.09134%0.339CS..Hα-helixtrans-58.8-47.2174.9170.10000111.1S2373 R2435 F2436 R2441 E2442 I2443S2373-V2439 WeakPolarHBondContact OG-CG1 3.08Å; R2435-V2439 WeakPolarHBondContact O-CG2 3.35Å; R2435-V2439 PolarHBondContact O-N 3.17Å; R2435-V2439 VanDerWaalsContact O-N 3.14Å; F2436-V2439 WeakPolarHBondContact O-CB 3.38Å; F2436-V2439 PolarHBondContact O-N 3.22Å; V2439-R2441 VanDerWaalsContact C-N 3.29Å; V2439-R2441 PolarHBondContact O-N 3.29Å; V2439-E2442 PolarHBondContact O-N 2.95Å; V2439-I2443 HydrophobicContact CG1-CD1 3.87Å; V2439-I2443 WeakPolarHBondContact O-CB 3.36Å; V2439-I2443 VanDerWaalsContact O-CG1 3.26Å; V2439-I2443 WeakPolarHBondContact O-CG1 3.31Å; V2439-I2443 PolarHBondContact O-N 2.96Å
2440F75.3Confident74.5Confident2.8 Ų2.874.3 Ų74.31%0.01235%0.351CS..Hα-helixtrans-65.1-35.1177.8-88.4-97.9000112.8A2370 W2394 W2415 L2416 F2436 K2437 S2438 I2443 L2444A2370-F2440 HydrophobicContact CB-CE2 4Å; A2370-F2440 HydrophobicContact CB-CZ 4.01Å; W2394-F2440 AromaticContact CH2-CE1 3.77Å; W2394-F2440 HydrophobicContact CH2-CE1 3.77Å; W2394-F2440 AromaticContact CH2-CZ 3.52Å; W2394-F2440 HydrophobicContact CH2-CZ 3.52Å; W2394-F2440 VanDerWaalsContact CH2-CZ 3.49Å; W2394-F2440 AromaticContact CZ2-CE1 3.86Å; W2394-F2440 HydrophobicContact CZ2-CE1 3.86Å; W2394-F2440 AromaticContact CZ2-CZ 3.82Å; W2394-F2440 HydrophobicContact CZ2-CZ 3.88Å; W2394-F2440 HydrophobicContact CZ3-CZ 4.45Å; W2415-F2440 HydrophobicContact CE3-CD1 4.43Å; W2415-F2440 HydrophobicContact CE3-CE1 4.39Å; W2415-F2440 AromaticContact CH2-CD1 3.54Å; W2415-F2440 HydrophobicContact CH2-CD1 3.54Å; W2415-F2440 VanDerWaalsContact CH2-CD1 3.43Å; W2415-F2440 AromaticContact CH2-CE1 3.47Å; W2415-F2440 HydrophobicContact CH2-CE1 3.47Å; W2415-F2440 VanDerWaalsContact CH2-CE1 3.47Å; W2415-F2440 HydrophobicContact CH2-CZ 4.48Å; W2415-F2440 HydrophobicContact CZ2-CD1 4.25Å; W2415-F2440 AromaticContact CZ2-CE1 3.73Å; W2415-F2440 HydrophobicContact CZ2-CE1 3.78Å; W2415-F2440 AromaticContact CZ3-CD1 3.73Å; W2415-F2440 HydrophobicContact CZ3-CD1 3.73Å; W2415-F2440 AromaticContact CZ3-CE1 3.86Å; W2415-F2440 HydrophobicContact CZ3-CE1 3.86Å; L2416-F2440 HydrophobicContact CD1-CB 4.1Å; L2416-F2440 HydrophobicContact CD1-CD1 3.36Å; L2416-F2440 VanDerWaalsContact CD1-CD1 3.42Å; L2416-F2440 HydrophobicContact CD1-CE1 4.03Å; L2416-F2440 HydrophobicContact CD1-CG 3.95Å; L2416-F2440 HydrophobicContact CD2-CB 4.31Å; L2416-F2440 HydrophobicContact CD2-CD1 3.37Å; L2416-F2440 HydrophobicContact CD2-CE1 4.02Å; L2416-F2440 HydrophobicContact CD2-CG 4.19Å; F2436-F2440 HydrophobicContact CD1-CD2 4.37Å; F2436-F2440 HydrophobicContact CD2-CD2 4.41Å; F2436-F2440 HydrophobicContact CD2-CE2 4.22Å; F2436-F2440 AromaticContact CE1-CD2 3.83Å; F2436-F2440 HydrophobicContact CE1-CD2 3.83Å; F2436-F2440 AromaticContact CE1-CE2 3.8Å; F2436-F2440 HydrophobicContact CE1-CE2 3.8Å; F2436-F2440 HydrophobicContact CE1-CZ 4.48Å; F2436-F2440 AromaticContact CE2-CD2 3.88Å; F2436-F2440 HydrophobicContact CE2-CD2 3.92Å; F2436-F2440 AromaticContact CE2-CE2 3.33Å; F2436-F2440 HydrophobicContact CE2-CE2 3.33Å; F2436-F2440 VanDerWaalsContact CE2-CE2 3.42Å; F2436-F2440 HydrophobicContact CE2-CZ 4.26Å; F2436-F2440 AromaticContact CZ-CD2 3.6Å; F2436-F2440 HydrophobicContact CZ-CD2 3.6Å; F2436-F2440 AromaticContact CZ-CE2 3.07Å; F2436-F2440 HydrophobicContact CZ-CE2 3.07Å; F2436-F2440 AromaticContact CZ-CZ 3.77Å; F2436-F2440 HydrophobicContact CZ-CZ 3.77Å; F2436-F2440 PolarHBondContact O-N 2.99Å; F2436-F2440 VanDerWaalsContact O-N 3.16Å; K2437-F2440 PolarHBondContact O-N 3.22Å; S2438-F2440 VanDerWaalsContact C-N 3.33Å; S2438-F2440 PolarHBondContact O-N 2.96Å; F2440-I2443 PolarHBondContact O-N 3.03Å; F2440-L2444 WeakPolarHBondContact O-CB 3.36Å; F2440-L2444 WeakPolarHBondContact O-CD1 3.3Å; F2440-L2444 VanDerWaalsContact O-CG 3.3Å; F2440-L2444 WeakPolarHBondContact O-CG 3.36Å; F2440-L2444 PolarHBondContact O-N 3.15Å; F2440-L2444 VanDerWaalsContact O-N 3.07Å
2441R77.8Confident73.9Confident95.2 Ų95.269.9 Ų69.936%0.35933%0.333SS..Hα-helixtrans-63.8-48.7174.7-154.5-174.6-54.1-121.42.1111.7E2434 K2437 S2438 V2439 I2443 L2444 E2445 I2455E2434-R2441 IonicContact OE2-NH2 3.45Å; K2437-R2441 WeakPolarHBondContact O-CB 3.42Å; K2437-R2441 PolarHBondContact O-N 3.2Å; S2438-R2441 WeakPolarHBondContact O-CB 3.44Å; S2438-R2441 PolarHBondContact O-N 3.1Å; S2438-R2441 VanDerWaalsContact O-N 3.13Å; V2439-R2441 VanDerWaalsContact C-N 3.29Å; V2439-R2441 PolarHBondContact O-N 3.29Å; R2441-I2443 VanDerWaalsContact C-N 3.3Å; R2441-I2443 PolarHBondContact O-N 3.07Å; R2441-L2444 PolarHBondContact O-N 3.21Å; R2441-E2445 WeakPolarHBondContact CD-OE1 3.37Å; R2441-E2445 HydrophobicContact CG-CG 4.4Å; R2441-E2445 WeakPolarHBondContact CG-OE1 3.28Å; R2441-E2445 WeakPolarHBondContact O-CB 3.39Å; R2441-E2445 VanDerWaalsContact O-CG 3.3Å; R2441-E2445 WeakPolarHBondContact O-CG 3.39Å; R2441-E2445 PolarHBondContact O-N 3.06Å; R2441-I2455 VanDerWaalsContact CA-CD1 3.44Å; R2441-I2455 HydrophobicContact CB-CD1 4.02Å; R2441-I2455 HydrophobicContact CB-CG2 4.31Å; R2441-I2455 HydrophobicContact CG-CB 4.2Å; R2441-I2455 HydrophobicContact CG-CD1 3.87Å; R2441-I2455 HydrophobicContact CG-CG1 4.48Å; R2441-I2455 HydrophobicContact CG-CG2 3.89Å
2442E77.2Confident73Confident107.8 Ų107.866.8 Ų66.850%0.50432%0.321SS..Hα-helixtrans-59.3-41.2176.8-162.5-178.2175.300111.8S2438 V2439 N2446S2438-E2442 WeakPolarHBondContact O-CB 3.26Å; S2438-E2442 WeakPolarHBondContact O-CG 3.37Å; S2438-E2442 PolarHBondContact O-N 3.02Å; V2439-E2442 PolarHBondContact O-N 2.95Å; E2442-N2446 WeakPolarHBondContact CG-ND2 3.37Å; E2442-N2446 VanDerWaalsContact O-CB 3.3Å; E2442-N2446 WeakPolarHBondContact O-CB 3.3Å; E2442-N2446 VanDerWaalsContact O-CG 3.27Å; E2442-N2446 PolarHBondContact O-N 3.07Å; E2442-N2446 PolarHBondContact O-ND2 3.06Å
2443I71.9Confident72Confident4.2 Ų4.269.1 Ų69.12%0.02234%0.335CS..Hα-helixtrans-60.5-48.8175.7-73167.9000111.2R2369 A2370 W2415 V2439 F2440 R2441 N2446 E2447R2369-I2443 HydrophobicContact CB-CD1 4.41Å; R2369-I2443 HydrophobicContact CG-CD1 4.5Å; R2369-I2443 HydrophobicContact CG-CG1 4.44Å; A2370-I2443 HydrophobicContact CB-CD1 3.79Å; W2415-I2443 HydrophobicContact CH2-CG2 4.01Å; V2439-I2443 HydrophobicContact CG1-CD1 3.87Å; V2439-I2443 WeakPolarHBondContact O-CB 3.36Å; V2439-I2443 VanDerWaalsContact O-CG1 3.26Å; V2439-I2443 WeakPolarHBondContact O-CG1 3.31Å; V2439-I2443 PolarHBondContact O-N 2.96Å; F2440-I2443 PolarHBondContact O-N 3.03Å; R2441-I2443 VanDerWaalsContact C-N 3.3Å; R2441-I2443 PolarHBondContact O-N 3.07Å; I2443-N2446 PolarHBondContact O-N 3.06Å; I2443-E2447 WeakPolarHBondContact O-CG 3.43Å; I2443-E2447 PolarHBondContact O-N 3Å; I2443-E2447 VanDerWaalsContact O-N 3.15Å
2444L72.2Confident70.8Confident6.6 Ų6.669.1 Ų69.14%0.03535%0.346CS..Hα-helixtrans-68.9-36.3-177.8-71.7166.3000112.6V2412 W2415 L2416 F2440 R2441 E2447 K2448 I2449 V2451 I2455V2412-L2444 HydrophobicContact CG1-CD2 3.76Å; W2415-L2444 HydrophobicContact CZ3-CD1 4.42Å; W2415-L2444 HydrophobicContact CZ3-CD2 3.98Å; W2415-L2444 HydrophobicContact CZ3-CG 4.29Å; L2416-L2444 HydrophobicContact CD1-CD1 3.9Å; L2416-L2444 HydrophobicContact CD2-CD1 3.85Å; L2416-L2444 HydrophobicContact CG-CD1 4.34Å; F2440-L2444 WeakPolarHBondContact O-CB 3.36Å; F2440-L2444 WeakPolarHBondContact O-CD1 3.3Å; F2440-L2444 VanDerWaalsContact O-CG 3.3Å; F2440-L2444 WeakPolarHBondContact O-CG 3.36Å; F2440-L2444 PolarHBondContact O-N 3.15Å; F2440-L2444 VanDerWaalsContact O-N 3.07Å; R2441-L2444 PolarHBondContact O-N 3.21Å; L2444-E2447 PolarHBondContact O-N 3.29Å; L2444-K2448 PolarHBondContact O-N 3.14Å; L2444-K2448 VanDerWaalsContact O-N 3.11Å; L2444-I2449 HydrophobicContact CD2-CB 4Å; L2444-I2449 HydrophobicContact CD2-CD1 4.43Å; L2444-I2449 HydrophobicContact CD2-CG2 3.92Å; L2444-I2449 PolarHBondContact O-N 3.14Å; L2444-V2451 HydrophobicContact CD1-CG2 3.77Å; L2444-V2451 HydrophobicContact CD2-CG2 4.11Å; L2444-V2451 HydrophobicContact CG-CG2 4.44Å; L2444-I2455 HydrophobicContact CB-CD1 4.23Å; L2444-I2455 HydrophobicContact CD1-CD1 3.46Å; L2444-I2455 VanDerWaalsContact CD1-CD1 3.45Å; L2444-I2455 HydrophobicContact CD1-CG1 3.69Å; L2444-I2455 VanDerWaalsContact CD1-CG1 3.43Å; L2444-I2455 HydrophobicContact CG-CD1 4.36Å
2445E76.3Confident69.4Low131.8 Ų131.867 Ų6762%0.61634%0.337SS*.Hα-helixtrans-66.4-44.2175.5-74.8173.5-17400111.8R2441 E2447 K2448R2441-E2445 WeakPolarHBondContact CD-OE1 3.37Å; R2441-E2445 HydrophobicContact CG-CG 4.4Å; R2441-E2445 WeakPolarHBondContact CG-OE1 3.28Å; R2441-E2445 WeakPolarHBondContact O-CB 3.39Å; R2441-E2445 VanDerWaalsContact O-CG 3.3Å; R2441-E2445 WeakPolarHBondContact O-CG 3.39Å; R2441-E2445 PolarHBondContact O-N 3.06Å; E2445-E2447 VanDerWaalsContact C-N 3.32Å; E2445-E2447 PolarHBondContact O-N 3.33Å; E2445-K2448 PolarHBondContact O-N 3.23Å
2446N70.8Confident67.9Low96.2 Ų96.263.4 Ų63.451%0.51434%0.343SS..Hα-helixtrans-62.4-39.5178-78.3-38.7000112.5E2442 I2443 K2448E2442-N2446 WeakPolarHBondContact CG-ND2 3.37Å; E2442-N2446 VanDerWaalsContact O-CB 3.3Å; E2442-N2446 WeakPolarHBondContact O-CB 3.3Å; E2442-N2446 VanDerWaalsContact O-CG 3.27Å; E2442-N2446 PolarHBondContact O-N 3.07Å; E2442-N2446 PolarHBondContact O-ND2 3.06Å; I2443-N2446 PolarHBondContact O-N 3.06Å; N2446-K2448 VanDerWaalsContact C-N 3.3Å; N2446-K2448 PolarHBondContact O-N 3.41Å
2447E66.6Low66.3Low74 Ų7465.8 Ų65.835%0.34637%0.369SS..THydrogen-bonded Turntrans-85.3-0.1179.2-61.5-61.1148.500113.3I2443 L2444 E2445 I2449I2443-E2447 WeakPolarHBondContact O-CG 3.43Å; I2443-E2447 PolarHBondContact O-N 3Å; I2443-E2447 VanDerWaalsContact O-N 3.15Å; L2444-E2447 PolarHBondContact O-N 3.29Å; E2445-E2447 VanDerWaalsContact C-N 3.32Å; E2445-E2447 PolarHBondContact O-N 3.33Å; E2447-I2449 VanDerWaalsContact C-N 3.27Å; E2447-I2449 HydrophobicContact CB-CD1 3.74Å; E2447-I2449 HydrophobicContact CB-CG1 3.85Å; E2447-I2449 HydrophobicContact CG-CD1 4.48Å; E2447-I2449 PolarHBondContact O-N 3.11Å
2448K66.6Low65Low190.4 Ų190.466.9 Ų66.983%0.82839%0.393SS*.THydrogen-bonded Turntrans55.635.6-178-57.4178.9-178.9174.40114L2444 E2445 N2446L2444-K2448 PolarHBondContact O-N 3.14Å; L2444-K2448 VanDerWaalsContact O-N 3.11Å; E2445-K2448 PolarHBondContact O-N 3.23Å; N2446-K2448 VanDerWaalsContact C-N 3.3Å; N2446-K2448 PolarHBondContact O-N 3.41Å
2449I64.7Low64Low50.8 Ų50.866 Ų6626%0.26138%0.382SS..  trans-93.5120.4-177.9-60.5174.7000109.6L2408 V2412 L2444 E2447 V2451L2408-I2449 HydrophobicContact CD2-CG2 4.24Å; V2412-I2449 HydrophobicContact CB-CG2 4.13Å; V2412-I2449 HydrophobicContact CG1-CG2 3.82Å; V2412-I2449 HydrophobicContact CG2-CD1 4.25Å; V2412-I2449 HydrophobicContact CG2-CG2 3.67Å; L2444-I2449 HydrophobicContact CD2-CB 4Å; L2444-I2449 HydrophobicContact CD2-CD1 4.43Å; L2444-I2449 HydrophobicContact CD2-CG2 3.92Å; L2444-I2449 PolarHBondContact O-N 3.14Å; E2447-I2449 VanDerWaalsContact C-N 3.27Å; E2447-I2449 HydrophobicContact CB-CD1 3.74Å; E2447-I2449 HydrophobicContact CB-CG1 3.85Å; E2447-I2449 HydrophobicContact CG-CD1 4.48Å; E2447-I2449 PolarHBondContact O-N 3.11Å; I2449-V2451 HydrophobicContact CG2-CG2 4.11Å; I2449-V2451 PolarHBondContact O-N 3.5Å; I2449-V2451 VanDerWaalsContact O-N 3.14Å
2450T63Low63.6Low100.4 Ų100.468.4 Ų68.462%0.61640%0.399SS*.  trans-83.5128.2171.843.80000111L2452T2450-L2452 PolarHBondContact O-N 3.27Å
2451V64.4Low63.9Low34.2 Ų34.270.1 Ų70.121%0.20741%0.408CS..  trans-100.8131.8175.2-173.10000108.8V2412 L2416 L2444 I2449 D2453 G2454 I2455V2412-V2451 HydrophobicContact CG1-CG2 3.92Å; L2416-V2451 HydrophobicContact CD1-CB 4.2Å; L2416-V2451 HydrophobicContact CD1-CG1 3.44Å; L2416-V2451 VanDerWaalsContact CD1-CG1 3.44Å; L2416-V2451 HydrophobicContact CD1-CG2 3.62Å; L2416-V2451 HydrophobicContact CD2-CG1 4.17Å; L2444-V2451 HydrophobicContact CD1-CG2 3.77Å; L2444-V2451 HydrophobicContact CD2-CG2 4.11Å; L2444-V2451 HydrophobicContact CG-CG2 4.44Å; I2449-V2451 HydrophobicContact CG2-CG2 4.11Å; I2449-V2451 PolarHBondContact O-N 3.5Å; I2449-V2451 VanDerWaalsContact O-N 3.14Å; V2451-D2453 VanDerWaalsContact C-N 3.29Å; V2451-D2453 PolarHBondContact O-N 3.04Å; V2451-G2454 PolarHBondContact O-N 3.18Å; V2451-I2455 HydrophobicContact CB-CD1 4.47Å; V2451-I2455 HydrophobicContact CG2-CG1 4.3Å
2452L57.6Low64.3Low99.6 Ų99.666 Ų6652%0.52139%0.393SS..SBendtrans-60.3-37.2178.6-90.2150.9000112.3E2409 E2410 T2450E2409-L2452 HydrophobicContact CB-CD1 4.12Å; E2409-L2452 HydrophobicContact CB-CD2 4.24Å; E2409-L2452 HydrophobicContact CB-CG 3.95Å; E2410-L2452 HydrophobicContact CB-CD1 4.1Å; T2450-L2452 PolarHBondContact O-N 3.27Å
2453D56.2Low64.8Low88.8 Ų88.861.1 Ų61.148%0.47537%0.37SS..SBendtrans-96.315.4-174.3-63.2-32.8000114.6V2451 R2485V2451-D2453 VanDerWaalsContact C-N 3.29Å; V2451-D2453 PolarHBondContact O-N 3.04Å; D2453-R2485 IonicContact OD1-CZ 3.47Å; D2453-R2485 IonicContact OD1-NH2 3.05Å; D2453-R2485 PolarHBondContact OD1-NH2 3.08Å; D2453-R2485 IonicContact OD2-CZ 2.98Å; D2453-R2485 IonicContact OD2-NE 3.15Å; D2453-R2485 IonicContact OD2-NH2 3.14Å; D2453-R2485 PolarHBondContact OD2-NH2 2.92Å
2454G53.5Low65.6Low38.2 Ų38.260.9 Ų60.939%0.39437%0.369SS..  trans78.3161.2-174.500000114.3V2451V2451-G2454 PolarHBondContact O-N 3.18Å
2455I51.1Low66.2Low27.4 Ų27.461.1 Ų61.114%0.14137%0.371CS..SBendtrans-85.3-24.1-177.7-55.9163.7000111L2416 R2420 K2437 R2441 L2444 V2451 G2457L2416-I2455 HydrophobicContact CD2-CG1 4.32Å; R2420-I2455 PolarHBondContact NH2-O 3.11Å; K2437-I2455 HydrophobicContact CB-CG2 4.5Å; R2441-I2455 VanDerWaalsContact CA-CD1 3.44Å; R2441-I2455 HydrophobicContact CB-CD1 4.02Å; R2441-I2455 HydrophobicContact CB-CG2 4.31Å; R2441-I2455 HydrophobicContact CG-CB 4.2Å; R2441-I2455 HydrophobicContact CG-CD1 3.87Å; R2441-I2455 HydrophobicContact CG-CG1 4.48Å; R2441-I2455 HydrophobicContact CG-CG2 3.89Å; L2444-I2455 HydrophobicContact CB-CD1 4.23Å; L2444-I2455 HydrophobicContact CD1-CD1 3.46Å; L2444-I2455 VanDerWaalsContact CD1-CD1 3.45Å; L2444-I2455 HydrophobicContact CD1-CG1 3.69Å; L2444-I2455 VanDerWaalsContact CD1-CG1 3.43Å; L2444-I2455 HydrophobicContact CG-CD1 4.36Å; V2451-I2455 HydrophobicContact CB-CD1 4.47Å; V2451-I2455 HydrophobicContact CG2-CG1 4.3Å; I2455-G2457 PolarHBondContact O-N 2.96Å
2456G46.5Very low66.3Low65.2 Ų65.255.3 Ų55.367%0.67234%0.344SS*.SBendtrans-103.833.3-171.600000115.8G2458G2456-G2458 VanDerWaalsContact C-N 3.26Å; G2456-G2458 PolarHBondContact O-N 3.13Å
2457G43.2Very low65.9Low54.2 Ų54.253.4 Ų53.456%0.55934%0.337SS*.SBendtrans-45.9130.8161.300000114.7I2455 E2459I2455-G2457 PolarHBondContact O-N 2.96Å; G2457-E2459 PolarHBondContact O-N 3.16Å
2458G52.3Low65.1Low66.4 Ų66.453.2 Ų53.269%0.68534%0.344SS*.  trans-69112.9176.100000111.7G2456 S2460G2456-G2458 VanDerWaalsContact C-N 3.26Å; G2456-G2458 PolarHBondContact O-N 3.13Å; G2458-S2460 VanDerWaalsContact C-N 3.28Å; G2458-S2460 PolarHBondContact O-N 3.05Å; G2458-S2460 PolarHBondContact O-OG 2.77Å
2459E61.9Low64.2Low37.2 Ų37.247.4 Ų47.417%0.17434%0.339CS..  trans-66.184.4177.8-67.1-178154.400109.9R2420 G2457 M2461 Y2462 K2519 R2523R2420-E2459 WeakPolarHBondContact CD-OE1 3.36Å; R2420-E2459 IonicContact CZ-OE1 3.34Å; R2420-E2459 IonicContact NH1-OE1 3.32Å; R2420-E2459 PolarHBondContact NH1-OE1 3.03Å; G2457-E2459 PolarHBondContact O-N 3.16Å; E2459-M2461 VanDerWaalsContact C-N 3.31Å; E2459-Y2462 HydrophobicContact CB-CE1 4.11Å; E2459-Y2462 HydrophobicContact CB-CE2 4.26Å; E2459-Y2462 VanDerWaalsContact CB-OH 3.25Å; E2459-Y2462 WeakPolarHBondContact CB-OH 3.31Å; E2459-Y2462 HydrophobicContact CG-CE1 4.49Å; E2459-Y2462 VanDerWaalsContact O-CE2 3.26Å; E2459-Y2462 WeakPolarHBondContact O-CE2 3.23Å; E2459-Y2462 PolarHBondContact O-OH 3.09Å; E2459-Y2462 VanDerWaalsContact OE2-CE1 3.3Å; E2459-Y2462 WeakPolarHBondContact OE2-CE1 3.21Å; E2459-Y2462 PolarHBondContact OE2-OH 2.96Å; E2459-K2519 IonicContact OE1-NZ 2.68Å; E2459-K2519 WeakPolarHBondContact OE2-CE 3.43Å; E2459-K2519 IonicContact OE2-NZ 3.34Å; E2459-K2519 PolarHBondContact OE2-NZ 3.27Å; E2459-R2523 VanDerWaalsContact CD-NH2 3.29Å; E2459-R2523 IonicContact OE1-NH2 2.81Å; E2459-R2523 PolarHBondContact OE1-NH2 3.11Å; E2459-R2523 IonicContact OE2-CZ 3.96Å; E2459-R2523 IonicContact OE2-NH2 3.3Å; E2459-R2523 PolarHBondContact OE2-NH2 3.36Å
2460S66.9Low63.1Low64.2 Ų64.248.3 Ų48.345%0.44935%0.349SS..  trans-76.1-21.1173.2112.70000112G2458 E2487 I2488G2458-S2460 VanDerWaalsContact C-N 3.28Å; G2458-S2460 PolarHBondContact O-N 3.05Å; G2458-S2460 PolarHBondContact O-OG 2.77Å; S2460-E2487 CarbonylContact O-C 3.3Å; S2460-E2487 VanDerWaalsContact O-CA 3.29Å; S2460-E2487 WeakPolarHBondContact O-CA 3.37Å; S2460-I2488 PolarHBondContact O-N 3.07Å
2461M80.6Confident62.2Low40.2 Ų40.249.2 Ų49.220%0.19835%0.35CS..EExtended strand (participates in β ladder)trans-119.3133.8-174.4-67.1-69.8-13600111.4E2459 R2485 I2486 E2487E2459-M2461 VanDerWaalsContact C-N 3.31Å; M2461-R2485 HydrophobicContact CB-CG 4.46Å; M2461-R2485 HydrophobicContact CE-CG 4.02Å; M2461-R2485 HydrophobicContact SD-CG 3.97Å; M2461-R2485 PolarHBondContact SD-NE 3.19Å; M2461-R2485 VanDerWaalsContact SD-NE 3.36Å; M2461-I2486 WeakPolarHBondContact CA-O 3.27Å; M2461-I2486 VanDerWaalsContact SD-C 3.53Å; M2461-E2487 HydrophobicContact CE-CG 3.69Å; M2461-E2487 VanDerWaalsContact CE-CG 3.43Å; M2461-E2487 WeakPolarHBondContact CE-OE1 3.49Å; M2461-E2487 HydrophobicContact SD-CB 4.22Å; M2461-E2487 HydrophobicContact SD-CG 3.48Å; M2461-E2487 VanDerWaalsContact SD-CG 3.51Å; M2461-E2487 WeakPolarHBondContact SD-CG 3.24Å
2462Y87.4Confident61.2Low7.4 Ų7.451.1 Ų51.13%0.02936%0.359CS..EExtended strand (participates in β ladder)trans-129.7169175.3-65.6-84.4000110.6Y2417 E2459 R2485 I2486 I2488 I2491 V2518 K2519 V2522Y2417-Y2462 AromaticContact CE2-CD1 3.9Å; Y2417-Y2462 HydrophobicContact CE2-CD1 4.01Å; E2459-Y2462 HydrophobicContact CB-CE1 4.11Å; E2459-Y2462 HydrophobicContact CB-CE2 4.26Å; E2459-Y2462 VanDerWaalsContact CB-OH 3.25Å; E2459-Y2462 WeakPolarHBondContact CB-OH 3.31Å; E2459-Y2462 HydrophobicContact CG-CE1 4.49Å; E2459-Y2462 VanDerWaalsContact O-CE2 3.26Å; E2459-Y2462 WeakPolarHBondContact O-CE2 3.23Å; E2459-Y2462 PolarHBondContact O-OH 3.09Å; E2459-Y2462 VanDerWaalsContact OE2-CE1 3.3Å; E2459-Y2462 WeakPolarHBondContact OE2-CE1 3.21Å; E2459-Y2462 PolarHBondContact OE2-OH 2.96Å; Y2462-R2485 CarbonylContact O-C 3.38Å; Y2462-R2485 WeakPolarHBondContact O-CA 3.42Å; Y2462-I2486 PolarHBondContact N-O 3.17Å; Y2462-I2486 PolarHBondContact O-N 3.07Å; Y2462-I2488 HydrophobicContact CD2-CB 4.32Å; Y2462-I2488 HydrophobicContact CD2-CG1 4.44Å; Y2462-I2488 HydrophobicContact CE2-CB 4.04Å; Y2462-I2488 HydrophobicContact CE2-CD1 3.97Å; Y2462-I2488 HydrophobicContact CE2-CG1 3.94Å; Y2462-I2491 HydrophobicContact CD2-CD1 3.9Å; Y2462-I2491 HydrophobicContact CG-CD1 4.17Å; Y2462-V2518 HydrophobicContact CE2-CG1 4.49Å; Y2462-K2519 HydrophobicContact CE1-CG 4.01Å; Y2462-K2519 WeakPolarHBondContact OH-CE 3.31Å; Y2462-V2522 HydrophobicContact CD1-CB 4.37Å; Y2462-V2522 HydrophobicContact CD1-CG1 3.83Å; Y2462-V2522 HydrophobicContact CD1-CG2 3.6Å; Y2462-V2522 VanDerWaalsContact CD1-CG2 3.45Å; Y2462-V2522 HydrophobicContact CE1-CG2 3.92Å; Y2462-V2522 HydrophobicContact CG-CB 4.47Å; Y2462-V2522 HydrophobicContact CG-CG1 4.31Å; Y2462-V2522 HydrophobicContact CG-CG2 3.95Å
2463Y88Confident60.5Low5.2 Ų5.254.1 Ų54.12%0.0237%0.368CS..EExtended strand (participates in β ladder)trans-119.5122.6175.3-63.9-93000109.7Y2401 S2413 I2414 Y2417 C2484 R2485Y2401-Y2463 AromaticContact CD1-CD1 3.53Å; Y2401-Y2463 HydrophobicContact CD1-CD1 3.53Å; Y2401-Y2463 VanDerWaalsContact CD1-CD1 3.49Å; Y2401-Y2463 HydrophobicContact CD1-CD2 4.26Å; Y2401-Y2463 HydrophobicContact CD1-CE1 4.1Å; Y2401-Y2463 AromaticContact CD1-CG 3.61Å; Y2401-Y2463 HydrophobicContact CD1-CG 3.61Å; Y2401-Y2463 VanDerWaalsContact CE1-CB 3.47Å; Y2401-Y2463 AromaticContact CE1-CD1 3.89Å; Y2401-Y2463 HydrophobicContact CE1-CD1 4.03Å; Y2401-Y2463 AromaticContact CE1-CD2 3.91Å; Y2401-Y2463 HydrophobicContact CE1-CD2 3.98Å; Y2401-Y2463 AromaticContact CE1-CG 3.59Å; Y2401-Y2463 HydrophobicContact CE1-CG 3.59Å; Y2401-Y2463 VanDerWaalsContact CE1-CG 3.47Å; S2413-Y2463 PolarHBondContact OG-OH 2.94Å; I2414-Y2463 HydrophobicContact CD1-CE1 4.45Å; I2414-Y2463 HydrophobicContact CG1-CE1 3.79Å; I2414-Y2463 HydrophobicContact CG1-CE2 4.35Å; I2414-Y2463 VanDerWaalsContact CG1-OH 3.29Å; I2414-Y2463 WeakPolarHBondContact CG1-OH 3.37Å; Y2417-Y2463 AromaticContact CD1-CD2 3.58Å; Y2417-Y2463 HydrophobicContact CD1-CD2 3.58Å; Y2417-Y2463 HydrophobicContact CD1-CE2 4.28Å; Y2417-Y2463 HydrophobicContact CD1-CG 4.35Å; Y2417-Y2463 AromaticContact CD2-CD2 3.91Å; Y2417-Y2463 HydrophobicContact CD2-CD2 3.96Å; Y2417-Y2463 HydrophobicContact CD2-CE2 4.29Å; Y2417-Y2463 AromaticContact CE1-CD2 3.87Å; Y2417-Y2463 HydrophobicContact CE1-CD2 3.87Å; Y2417-Y2463 HydrophobicContact CE1-CG 4.39Å; Y2417-Y2463 HydrophobicContact CE2-CD2 4.23Å; Y2417-Y2463 AromaticContact CG-CD2 3.62Å; Y2417-Y2463 HydrophobicContact CG-CD2 3.62Å; Y2417-Y2463 AromaticContact CG-CE2 3.9Å; Y2417-Y2463 HydrophobicContact CG-CE2 3.96Å; Y2463-C2484 VanDerWaalsContact CA-O 3.31Å; Y2463-C2484 WeakPolarHBondContact CA-O 3.37Å; Y2463-R2485 HydrophobicContact CD1-CB 3.93Å; Y2463-R2485 HydrophobicContact CD1-CG 4.39Å; Y2463-R2485 HydrophobicContact CE1-CB 3.66Å; Y2463-R2485 HydrophobicContact CE1-CG 3.97Å
2464V88.3Confident59.7Low0.6 Ų0.655.4 Ų55.40%0.00438%0.379CS..EExtended strand (participates in β ladder)trans-136.8156.8-174.1-63.60000111.4F2466 L2483 C2484 I2486 I2491 V2522 D2525V2464-F2466 HydrophobicContact CB-CD1 4.2Å; V2464-F2466 HydrophobicContact CB-CD2 4.39Å; V2464-F2466 HydrophobicContact CB-CE1 3.95Å; V2464-F2466 HydrophobicContact CB-CE2 4.22Å; V2464-F2466 HydrophobicContact CB-CG 4.42Å; V2464-F2466 HydrophobicContact CB-CZ 3.96Å; V2464-F2466 HydrophobicContact CG1-CE1 4.11Å; V2464-F2466 HydrophobicContact CG1-CE2 4.24Å; V2464-F2466 HydrophobicContact CG1-CZ 3.81Å; V2464-F2466 HydrophobicContact CG2-CD2 4.22Å; V2464-F2466 HydrophobicContact CG2-CE2 4.17Å; V2464-F2466 HydrophobicContact CG2-CG 4.43Å; V2464-F2466 HydrophobicContact CG2-CZ 4.35Å; V2464-F2466 WeakPolarHBondContact CG2-O 3.41Å; V2464-L2483 CarbonylContact O-C 3.49Å; V2464-L2483 WeakPolarHBondContact O-CA 3.43Å; V2464-C2484 PolarHBondContact N-O 3.02Å; V2464-C2484 PolarHBondContact O-N 3.08Å; V2464-I2486 HydrophobicContact CB-CG2 4.45Å; V2464-I2486 HydrophobicContact CG1-CG2 4.21Å; V2464-I2486 HydrophobicContact CG2-CB 4.2Å; V2464-I2486 HydrophobicContact CG2-CD1 4.16Å; V2464-I2486 VanDerWaalsContact CG2-CD1 3.43Å; V2464-I2486 HydrophobicContact CG2-CG1 3.7Å; V2464-I2486 HydrophobicContact CG2-CG2 3.46Å; V2464-I2486 VanDerWaalsContact CG2-CG2 3.46Å; V2464-I2491 HydrophobicContact CG1-CD1 4.28Å; V2464-V2522 HydrophobicContact CG1-CB 3.87Å; V2464-V2522 HydrophobicContact CG1-CG1 3.53Å; V2464-V2522 VanDerWaalsContact CG1-CG1 3.45Å; V2464-V2522 HydrophobicContact CG1-CG2 3.72Å; V2464-D2525 VanDerWaalsContact CA-OD2 3.26Å; V2464-D2525 WeakPolarHBondContact CA-OD2 3.3Å; V2464-D2525 WeakPolarHBondContact CB-OD2 3.44Å
2465S84.6Confident59.1Low10.8 Ų10.860.5 Ų60.58%0.07639%0.386CS..SBendtrans-78.4-26176.768.40000113.1R2475 V2481 D2525 H2529 L2557S2465-R2475 PolarHBondContact O-NH1 3.12Å; S2465-R2475 PolarHBondContact O-NH2 3.08Å; S2465-R2475 PolarHBondContact OG-NH2 3.25Å; S2465-V2481 VanDerWaalsContact CB-CG1 3.48Å; S2465-D2525 WeakPolarHBondContact CB-OD1 3.41Å; S2465-D2525 WeakPolarHBondContact CB-OD2 3.5Å; S2465-D2525 PolarHBondContact N-OD2 3.24Å; S2465-D2525 VanDerWaalsContact OG-CG 3.28Å; S2465-D2525 PolarHBondContact OG-OD1 3.08Å; S2465-D2525 PolarHBondContact OG-OD2 3.03Å; S2465-H2529 PolarHBondContact OG-CE1 3.2Å; S2465-H2529 VanDerWaalsContact OG-CE1 3.29Å; S2465-L2557 WeakPolarHBondContact OG-CD2 3.35Å
2466F78.4Confident58.6Low10.8 Ų10.862.6 Ų62.65%0.04740%0.403CS..SBendtrans-96.6132.3-177.351.7-92.7000111.2V2464 I2486 I2491 V2494 V2521 V2522 D2525 L2553 V2556 L2557V2464-F2466 HydrophobicContact CB-CD1 4.2Å; V2464-F2466 HydrophobicContact CB-CD2 4.39Å; V2464-F2466 HydrophobicContact CB-CE1 3.95Å; V2464-F2466 HydrophobicContact CB-CE2 4.22Å; V2464-F2466 HydrophobicContact CB-CG 4.42Å; V2464-F2466 HydrophobicContact CB-CZ 3.96Å; V2464-F2466 HydrophobicContact CG1-CE1 4.11Å; V2464-F2466 HydrophobicContact CG1-CE2 4.24Å; V2464-F2466 HydrophobicContact CG1-CZ 3.81Å; V2464-F2466 HydrophobicContact CG2-CD2 4.22Å; V2464-F2466 HydrophobicContact CG2-CE2 4.17Å; V2464-F2466 HydrophobicContact CG2-CG 4.43Å; V2464-F2466 HydrophobicContact CG2-CZ 4.35Å; V2464-F2466 WeakPolarHBondContact CG2-O 3.41Å; F2466-I2486 WeakPolarHBondContact O-CD1 3.07Å; F2466-I2491 HydrophobicContact CE2-CG2 4.33Å; F2466-I2491 HydrophobicContact CZ-CG2 4.43Å; F2466-V2494 HydrophobicContact CD2-CG1 4.04Å; F2466-V2494 HydrophobicContact CE2-CB 4.44Å; F2466-V2494 HydrophobicContact CE2-CG1 4.28Å; F2466-V2521 HydrophobicContact CE1-CG1 4.5Å; F2466-V2521 HydrophobicContact CZ-CG1 4.29Å; F2466-V2522 HydrophobicContact CZ-CG1 4.48Å; F2466-D2525 HydrophobicContact CE1-CB 4.08Å; F2466-L2553 HydrophobicContact CE1-CD1 4.28Å; F2466-V2556 HydrophobicContact CB-CG1 4.18Å; F2466-V2556 HydrophobicContact CD1-CG1 3.88Å; F2466-V2556 HydrophobicContact CD2-CG1 4.28Å; F2466-V2556 HydrophobicContact CE1-CG1 4.37Å; F2466-V2556 HydrophobicContact CG-CG1 3.91Å; F2466-L2557 HydrophobicContact CD1-CD2 4.26Å
2467S61.3Low58.4Low55.2 Ų55.263.5 Ų63.539%0.38640%0.395SS..  trans-98.4155-179.977.70000112G2469 S2470S2467-G2469 VanDerWaalsContact C-N 3.31Å; S2467-G2469 PolarHBondContact O-N 3.12Å; S2467-G2469 VanDerWaalsContact O-N 3.14Å; S2467-G2469 PolarHBondContact OG-N 3.43Å; S2467-S2470 PolarHBondContact O-N 3.32Å; S2467-S2470 PolarHBondContact O-OG 3.2Å; S2467-S2470 WeakPolarHBondContact OG-CB 3.41Å; S2467-S2470 PolarHBondContact OG-N 3.07Å; S2467-S2470 VanDerWaalsContact OG-N 3.13Å; S2467-S2470 PolarHBondContact OG-OG 3.32Å
2468S51.6Low58.5Low70.2 Ų70.268.8 Ų68.849%0.49141%0.406SS..SBendtrans-69.21.9176.2-169.70000113.2
2469G45.8Very low58.3Low68.4 Ų68.468.6 Ų68.671%0.70539%0.394SS*.SBendtrans-122.4-2.8-172.300000116S2467 D2471S2467-G2469 VanDerWaalsContact C-N 3.31Å; S2467-G2469 PolarHBondContact O-N 3.12Å; S2467-G2469 VanDerWaalsContact O-N 3.14Å; S2467-G2469 PolarHBondContact OG-N 3.43Å; G2469-D2471 PolarHBondContact O-N 3.11Å
2470S42.5Very low58Low69.4 Ų69.471 Ų7149%0.48541%0.408SS..SBendtrans-86.5114.1179.251.40000111.3S2467 L2472S2467-S2470 PolarHBondContact O-N 3.32Å; S2467-S2470 PolarHBondContact O-OG 3.2Å; S2467-S2470 WeakPolarHBondContact OG-CB 3.41Å; S2467-S2470 PolarHBondContact OG-N 3.07Å; S2467-S2470 VanDerWaalsContact OG-N 3.13Å; S2467-S2470 PolarHBondContact OG-OG 3.32Å; S2470-L2472 PolarHBondContact O-N 3.27Å; S2470-L2472 VanDerWaalsContact O-N 3.08Å
2471D43.3Very low58.3Low118.6 Ų118.670.2 Ų70.263%0.63440%0.4SS*.  trans-46.1121.2165.4-82-29.8000110.1G2469 K2473 V2474G2469-D2471 PolarHBondContact O-N 3.11Å; D2471-K2473 HydrophobicContact CB-CB 4.04Å; D2471-K2473 HydrophobicContact CB-CD 3.76Å; D2471-K2473 HydrophobicContact CB-CG 3.81Å; D2471-K2473 PolarHBondContact O-N 2.99Å; D2471-K2473 WeakPolarHBondContact OD2-CD 3.23Å; D2471-K2473 VanDerWaalsContact OD2-CE 3.28Å; D2471-K2473 WeakPolarHBondContact OD2-CE 3.36Å; D2471-K2473 IonicContact OD2-NZ 3.48Å; D2471-K2473 PolarHBondContact OD2-NZ 3.06Å; D2471-V2474 HydrophobicContact CB-CG2 4.25Å; D2471-V2474 PolarHBondContact O-N 3.28Å; D2471-V2474 VanDerWaalsContact O-N 3.09Å
2472L44.6Very low58.2Low76 Ų7672.2 Ų72.240%0.39841%0.408SS..THydrogen-bonded Turntrans-59.17.8173-71.9163000113.2S2470 V2474 K2497 V2556S2470-L2472 PolarHBondContact O-N 3.27Å; S2470-L2472 VanDerWaalsContact O-N 3.08Å; L2472-V2474 PolarHBondContact O-N 3.13Å; L2472-K2497 HydrophobicContact CD1-CD 4.06Å; L2472-K2497 HydrophobicContact CD1-CG 4.34Å; L2472-V2556 HydrophobicContact CD2-CG1 4.24Å
2473K41.7Very low58.2Low161.2 Ų161.271.8 Ų71.870%0.70141%0.407SS*.  trans-87.956.6-179.8-68.7-179.4-179.3171.40111.5D2471 R2475D2471-K2473 HydrophobicContact CB-CB 4.04Å; D2471-K2473 HydrophobicContact CB-CD 3.76Å; D2471-K2473 HydrophobicContact CB-CG 3.81Å; D2471-K2473 PolarHBondContact O-N 2.99Å; D2471-K2473 WeakPolarHBondContact OD2-CD 3.23Å; D2471-K2473 VanDerWaalsContact OD2-CE 3.28Å; D2471-K2473 WeakPolarHBondContact OD2-CE 3.36Å; D2471-K2473 IonicContact OD2-NZ 3.48Å; D2471-K2473 PolarHBondContact OD2-NZ 3.06Å; K2473-R2475 HydrophobicContact CB-CG 4.32Å; K2473-R2475 PolarHBondContact O-N 3.3Å
2474V39.3Very low58Low117.6 Ų117.673.7 Ų73.771%0.71342%0.42SS*.  trans-53.692.6163.8-171.80000111.4D2471 L2472 S2476D2471-V2474 HydrophobicContact CB-CG2 4.25Å; D2471-V2474 PolarHBondContact O-N 3.28Å; D2471-V2474 VanDerWaalsContact O-N 3.09Å; L2472-V2474 PolarHBondContact O-N 3.13Å; V2474-S2476 PolarHBondContact O-N 3.08Å
2475R41.8Very low57.9Low145 Ų14577.4 Ų77.455%0.54743%0.434SS..  trans-101.7120.3158.8-76.6-175.4171.1-176.1-4.9108.9S2465 K2473 V2477S2465-R2475 PolarHBondContact O-NH1 3.12Å; S2465-R2475 PolarHBondContact O-NH2 3.08Å; S2465-R2475 PolarHBondContact OG-NH2 3.25Å; K2473-R2475 HydrophobicContact CB-CG 4.32Å; K2473-R2475 PolarHBondContact O-N 3.3Å; R2475-V2477 PolarHBondContact O-N 3.04Å
2476S40.1Very low57.9Low71 Ų7177.8 Ų77.850%0.49744%0.436SS..  trans-85.7128.1162.852.70000109.5V2474 E2478 S2479V2474-S2476 PolarHBondContact O-N 3.08Å; S2476-E2478 PolarHBondContact O-N 3.22Å; S2476-S2479 WeakPolarHBondContact O-CB 3.42Å; S2476-S2479 PolarHBondContact O-N 3.29Å; S2476-S2479 PolarHBondContact O-OG 2.98Å; S2476-S2479 VanDerWaalsContact O-OG 3.14Å; S2476-S2479 PolarHBondContact OG-OG 3.38Å
2477V43.1Very low58.3Low83 Ų8382.5 Ų82.550%0.50346%0.457SS..THydrogen-bonded Turntrans-67.38.1177-176.60000111.6R2475 S2479 P2592 R2659R2475-V2477 PolarHBondContact O-N 3.04Å; V2477-S2479 VanDerWaalsContact C-N 3.34Å; V2477-P2592 HydrophobicContact CG2-CB 4.44Å; V2477-P2592 HydrophobicContact CG2-CG 4.2Å; V2477-R2659 PolarHBondContact O-NH2 3.09Å
2478E44.4Very low59.5Low167 Ų16781.2 Ų81.278%0.7845%0.446SS*.THydrogen-bonded Turntrans-85.8-14.3172.3-67.5178.9171.400112.1S2476 D2480S2476-E2478 PolarHBondContact O-N 3.22Å; E2478-D2480 PolarHBondContact O-N 2.72Å
2479S47.8Very low61.1Low61.2 Ų61.283.6 Ų83.643%0.42845%0.454SS..SBendtrans-79.8118.1-178.518.60000112S2476 V2477 V2481 R2659S2476-S2479 WeakPolarHBondContact O-CB 3.42Å; S2476-S2479 PolarHBondContact O-N 3.29Å; S2476-S2479 PolarHBondContact O-OG 2.98Å; S2476-S2479 VanDerWaalsContact O-OG 3.14Å; S2476-S2479 PolarHBondContact OG-OG 3.38Å; V2477-S2479 VanDerWaalsContact C-N 3.34Å; S2479-V2481 PolarHBondContact O-N 3.28Å; S2479-V2481 VanDerWaalsContact O-N 3.17Å; S2479-R2659 PolarHBondContact OG-NH2 3.36Å
2480D57.5Low63Low88.4 Ų88.481.6 Ų81.647%0.47343%0.43SS..  trans-62.8107.4172.7-80-26.3000109.2R2287 E2478 H2482R2287-D2480 IonicContact CZ-OD2 2.68Å; R2287-D2480 IonicContact NE-OD2 3.85Å; R2287-D2480 IonicContact NH1-OD2 3.46Å; R2287-D2480 PolarHBondContact NH1-OD2 3.11Å; E2478-D2480 PolarHBondContact O-N 2.72Å; D2480-H2482 PolarHBondContact O-CE1 3.37Å; D2480-H2482 VanDerWaalsContact O-CE1 3.3Å; D2480-H2482 PolarHBondContact O-N 3.19Å; D2480-H2482 VanDerWaalsContact O-N 3.15Å; D2480-H2482 PolarHBondContact O-ND1 3.03Å
2481V71.5Confident65.1Low46 Ų4678.3 Ų78.328%0.27941%0.407SS..  trans-74.4113178.8-177.60000108.6S2465 S2479 H2529S2465-V2481 VanDerWaalsContact CB-CG1 3.48Å; S2479-V2481 PolarHBondContact O-N 3.28Å; S2479-V2481 VanDerWaalsContact O-N 3.17Å; V2481-H2529 VanDerWaalsContact CG1-CD2 3.49Å; V2481-H2529 WeakPolarHBondContact CG1-CD2 3.48Å; V2481-H2529 VanDerWaalsContact CG2-CD2 3.47Å; V2481-H2529 WeakPolarHBondContact CG2-CD2 3.06Å
2482H80.1Confident67.3Low82.6 Ų82.673.7 Ų73.738%0.38238%0.384SS..PPolyproline II helixtrans-90.2141.5176.9-64.532.4000111.5R2400 V2402 D2480R2400-H2482 CarbonylContact O-C 3.56Å; R2400-H2482 VanDerWaalsContact O-CA 3.28Å; R2400-H2482 WeakPolarHBondContact O-CA 3.36Å; V2402-H2482 HydrophobicContact CG2-CB 3.46Å; V2402-H2482 VanDerWaalsContact CG2-CB 3.48Å; D2480-H2482 PolarHBondContact O-CE1 3.37Å; D2480-H2482 VanDerWaalsContact O-CE1 3.3Å; D2480-H2482 PolarHBondContact O-N 3.19Å; D2480-H2482 VanDerWaalsContact O-N 3.15Å; D2480-H2482 PolarHBondContact O-ND1 3.03Å
2483L85.9Confident69.3Low0.2 Ų0.272.3 Ų72.30%0.00138%0.381CS..BIsolated β-bridgetrans-90.8117.7177.3-60174.3000109.7R2400 Y2401 V2402 V2464 R2526R2400-L2483 HydrophobicContact CB-CD1 4.36Å; R2400-L2483 HydrophobicContact CB-CG 4.42Å; R2400-L2483 PolarHBondContact O-N 3.13Å; Y2401-L2483 HydrophobicContact CD1-CB 3.98Å; Y2401-L2483 HydrophobicContact CD1-CD1 4.28Å; Y2401-L2483 HydrophobicContact CE1-CB 4.23Å; Y2401-L2483 HydrophobicContact CE1-CD1 3.83Å; Y2401-L2483 HydrophobicContact CE2-CD1 4.14Å; Y2401-L2483 HydrophobicContact CG-CB 4.44Å; V2402-L2483 PolarHBondContact N-O 3.11Å; V2464-L2483 CarbonylContact O-C 3.49Å; V2464-L2483 WeakPolarHBondContact O-CA 3.43Å; L2483-R2526 HydrophobicContact CD1-CB 4.17Å; L2483-R2526 HydrophobicContact CD1-CG 3.94Å
2484C85.3Confident71.4Confident43.6 Ų43.665.5 Ų65.530%0.29535%0.353SS..EExtended strand (participates in β ladder)trans-99.1142.1-179.4-66.10000110.9V2402 Y2463 V2464V2402-C2484 VanDerWaalsContact CG2-SG 3.58Å; Y2463-C2484 VanDerWaalsContact CA-O 3.31Å; Y2463-C2484 WeakPolarHBondContact CA-O 3.37Å; V2464-C2484 PolarHBondContact N-O 3.02Å; V2464-C2484 PolarHBondContact O-N 3.08Å
2485R85Confident73.8Confident79 Ų7959.9 Ų59.930%0.29832%0.319SS..EExtended strand (participates in β ladder)trans-70.6130174.8-167.8175177-140.62.2110.7E2410 D2453 M2461 Y2462 Y2463E2410-R2485 IonicContact OE1-NH1 3.5Å; D2453-R2485 IonicContact OD1-CZ 3.47Å; D2453-R2485 IonicContact OD1-NH2 3.05Å; D2453-R2485 PolarHBondContact OD1-NH2 3.08Å; D2453-R2485 IonicContact OD2-CZ 2.98Å; D2453-R2485 IonicContact OD2-NE 3.15Å; D2453-R2485 IonicContact OD2-NH2 3.14Å; D2453-R2485 PolarHBondContact OD2-NH2 2.92Å; M2461-R2485 HydrophobicContact CB-CG 4.46Å; M2461-R2485 HydrophobicContact CE-CG 4.02Å; M2461-R2485 HydrophobicContact SD-CG 3.97Å; M2461-R2485 PolarHBondContact SD-NE 3.19Å; M2461-R2485 VanDerWaalsContact SD-NE 3.36Å; Y2462-R2485 CarbonylContact O-C 3.38Å; Y2462-R2485 WeakPolarHBondContact O-CA 3.42Å; Y2463-R2485 HydrophobicContact CD1-CB 3.93Å; Y2463-R2485 HydrophobicContact CD1-CG 4.39Å; Y2463-R2485 HydrophobicContact CE1-CB 3.66Å; Y2463-R2485 HydrophobicContact CE1-CG 3.97Å
2486I85.9Confident76Confident20 Ų2058.7 Ų58.710%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-145.2149.3-178.3-148173000110.9M2461 Y2462 V2464 F2466 A2490 I2491M2461-I2486 WeakPolarHBondContact CA-O 3.27Å; M2461-I2486 VanDerWaalsContact SD-C 3.53Å; Y2462-I2486 PolarHBondContact N-O 3.17Å; Y2462-I2486 PolarHBondContact O-N 3.07Å; V2464-I2486 HydrophobicContact CB-CG2 4.45Å; V2464-I2486 HydrophobicContact CG1-CG2 4.21Å; V2464-I2486 HydrophobicContact CG2-CB 4.2Å; V2464-I2486 HydrophobicContact CG2-CD1 4.16Å; V2464-I2486 VanDerWaalsContact CG2-CD1 3.43Å; V2464-I2486 HydrophobicContact CG2-CG1 3.7Å; V2464-I2486 HydrophobicContact CG2-CG2 3.46Å; V2464-I2486 VanDerWaalsContact CG2-CG2 3.46Å; F2466-I2486 WeakPolarHBondContact O-CD1 3.07Å; I2486-A2490 HydrophobicContact CD1-CB 4.15Å; I2486-A2490 HydrophobicContact CG1-CB 3.92Å; I2486-A2490 HydrophobicContact CG2-CB 3.63Å; I2486-I2491 HydrophobicContact CB-CD1 4.33Å; I2486-I2491 HydrophobicContact CB-CG1 4.36Å; I2486-I2491 HydrophobicContact CD1-CG1 4.18Å; I2486-I2491 HydrophobicContact CG1-CG1 4.2Å; I2486-I2491 HydrophobicContact CG2-CD1 3.58Å; I2486-I2491 VanDerWaalsContact CG2-CD1 3.44Å; I2486-I2491 HydrophobicContact CG2-CG1 3.44Å; I2486-I2491 VanDerWaalsContact CG2-CG1 3.44Å
2487E86Confident78.1Confident108.2 Ų108.261.5 Ų61.551%0.50632%0.323SS..EExtended strand (participates in β ladder)trans-78148.4175.2-71.8178.7176.200112.4S2460 M2461 D2489 A2490 I2491S2460-E2487 CarbonylContact O-C 3.3Å; S2460-E2487 VanDerWaalsContact O-CA 3.29Å; S2460-E2487 WeakPolarHBondContact O-CA 3.37Å; M2461-E2487 HydrophobicContact CE-CG 3.69Å; M2461-E2487 VanDerWaalsContact CE-CG 3.43Å; M2461-E2487 WeakPolarHBondContact CE-OE1 3.49Å; M2461-E2487 HydrophobicContact SD-CB 4.22Å; M2461-E2487 HydrophobicContact SD-CG 3.48Å; M2461-E2487 VanDerWaalsContact SD-CG 3.51Å; M2461-E2487 WeakPolarHBondContact SD-CG 3.24Å; E2487-D2489 VanDerWaalsContact C-N 3.27Å; E2487-D2489 PolarHBondContact O-N 3.25Å; E2487-A2490 WeakPolarHBondContact O-CB 3.42Å; E2487-A2490 PolarHBondContact O-N 3.26Å; E2487-A2490 VanDerWaalsContact O-N 3.16Å; E2487-I2491 WeakPolarHBondContact O-CG1 3.27Å; E2487-I2491 PolarHBondContact O-N 3.21Å; E2487-I2491 VanDerWaalsContact O-N 3.09Å
2488I85.4Confident80Confident29.4 Ų29.457.7 Ų57.715%0.15130%0.299CS..Hα-helixtrans-57.5-36.4-179.5-165.9175.2000113.1S2460 Y2462 I2491 S2492 V2518S2460-I2488 PolarHBondContact O-N 3.07Å; Y2462-I2488 HydrophobicContact CD2-CB 4.32Å; Y2462-I2488 HydrophobicContact CD2-CG1 4.44Å; Y2462-I2488 HydrophobicContact CE2-CB 4.04Å; Y2462-I2488 HydrophobicContact CE2-CD1 3.97Å; Y2462-I2488 HydrophobicContact CE2-CG1 3.94Å; I2488-I2491 PolarHBondContact O-N 3.19Å; I2488-S2492 WeakPolarHBondContact O-CB 3.37Å; I2488-S2492 PolarHBondContact O-N 3.38Å; I2488-S2492 PolarHBondContact O-OG 3.04Å; I2488-V2518 HydrophobicContact CG1-CG1 4.07Å
2489D85.2Confident82Confident120.8 Ų120.850.8 Ų50.865%0.64627%0.268SS*.Hα-helixtrans-69.4-39.5179.7-67.1-24.2000111.2E2487 S2492 S2493E2487-D2489 VanDerWaalsContact C-N 3.27Å; E2487-D2489 PolarHBondContact O-N 3.25Å; D2489-S2492 PolarHBondContact O-N 3.12Å; D2489-S2493 PolarHBondContact O-N 3.03Å
2490A86.1Confident83.7Confident26.4 Ų26.451.2 Ų51.222%0.21827%0.27CS..Hα-helixtrans-65.1-41.9174.200000111.2I2486 E2487 S2492 S2493 V2494I2486-A2490 HydrophobicContact CD1-CB 4.15Å; I2486-A2490 HydrophobicContact CG1-CB 3.92Å; I2486-A2490 HydrophobicContact CG2-CB 3.63Å; E2487-A2490 WeakPolarHBondContact O-CB 3.42Å; E2487-A2490 PolarHBondContact O-N 3.26Å; E2487-A2490 VanDerWaalsContact O-N 3.16Å; A2490-S2492 VanDerWaalsContact C-N 3.33Å; A2490-S2492 PolarHBondContact O-N 3.11Å; A2490-S2493 PolarHBondContact O-N 3.1Å; A2490-S2493 PolarHBondContact O-OG 3.08Å; A2490-V2494 WeakPolarHBondContact O-CG2 3.37Å; A2490-V2494 PolarHBondContact O-N 3.19Å; A2490-V2494 VanDerWaalsContact O-N 3.15Å
2491I87.6Confident84.8Confident0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-60.6-46.5173.6-64.4162000110.6Y2462 V2464 F2466 I2486 E2487 I2488 S2493 V2494 L2495 V2518 V2522Y2462-I2491 HydrophobicContact CD2-CD1 3.9Å; Y2462-I2491 HydrophobicContact CG-CD1 4.17Å; V2464-I2491 HydrophobicContact CG1-CD1 4.28Å; F2466-I2491 HydrophobicContact CE2-CG2 4.33Å; F2466-I2491 HydrophobicContact CZ-CG2 4.43Å; I2486-I2491 HydrophobicContact CB-CD1 4.33Å; I2486-I2491 HydrophobicContact CB-CG1 4.36Å; I2486-I2491 HydrophobicContact CD1-CG1 4.18Å; I2486-I2491 HydrophobicContact CG1-CG1 4.2Å; I2486-I2491 HydrophobicContact CG2-CD1 3.58Å; I2486-I2491 VanDerWaalsContact CG2-CD1 3.44Å; I2486-I2491 HydrophobicContact CG2-CG1 3.44Å; I2486-I2491 VanDerWaalsContact CG2-CG1 3.44Å; E2487-I2491 WeakPolarHBondContact O-CG1 3.27Å; E2487-I2491 PolarHBondContact O-N 3.21Å; E2487-I2491 VanDerWaalsContact O-N 3.09Å; I2488-I2491 PolarHBondContact O-N 3.19Å; I2491-S2493 VanDerWaalsContact C-N 3.28Å; I2491-S2493 PolarHBondContact O-N 3.03Å; I2491-V2494 WeakPolarHBondContact O-CA 3.32Å; I2491-V2494 WeakPolarHBondContact O-CB 3.36Å; I2491-V2494 PolarHBondContact O-N 3.01Å; I2491-V2494 VanDerWaalsContact O-N 3.1Å; I2491-L2495 HydrophobicContact CG2-CD1 4.02Å; I2491-L2495 HydrophobicContact CG2-CG 4.17Å; I2491-L2495 WeakPolarHBondContact O-CG 3.31Å; I2491-L2495 PolarHBondContact O-N 3.16Å; I2491-V2518 HydrophobicContact CB-CG1 4.34Å; I2491-V2518 HydrophobicContact CD1-CG1 4.49Å; I2491-V2518 HydrophobicContact CG2-CG1 3.76Å; I2491-V2522 HydrophobicContact CD1-CG1 3.82Å; I2491-V2522 HydrophobicContact CD1-CG2 3.99Å; I2491-V2522 HydrophobicContact CG2-CG1 4.09Å
2492S88.6Confident85.3Confident20.6 Ų20.647.8 Ų47.814%0.14425%0.252CS..Hα-helixtrans-57.4-43.7179.4-59.80000110.7I2488 D2489 A2490 V2494 L2495 E2496 I2513I2488-S2492 WeakPolarHBondContact O-CB 3.37Å; I2488-S2492 PolarHBondContact O-N 3.38Å; I2488-S2492 PolarHBondContact O-OG 3.04Å; D2489-S2492 PolarHBondContact O-N 3.12Å; A2490-S2492 VanDerWaalsContact C-N 3.33Å; A2490-S2492 PolarHBondContact O-N 3.11Å; S2492-V2494 VanDerWaalsContact C-N 3.34Å; S2492-V2494 PolarHBondContact O-N 3.07Å; S2492-L2495 CarbonylContact O-C 3.52Å; S2492-L2495 PolarHBondContact O-N 3.3Å; S2492-L2495 VanDerWaalsContact O-N 3.15Å; S2492-E2496 WeakPolarHBondContact O-CB 3.46Å; S2492-E2496 WeakPolarHBondContact O-CG 3.39Å; S2492-E2496 PolarHBondContact O-N 3.35Å; S2492-I2513 WeakPolarHBondContact O-CD1 3.36Å
2493S87.7Confident85.3Confident47.8 Ų47.848.9 Ų48.933%0.33426%0.256SS..Hα-helixtrans-61.8-37.2175.780.40000113.8D2489 A2490 I2491 E2496 K2497D2489-S2493 PolarHBondContact O-N 3.03Å; A2490-S2493 PolarHBondContact O-N 3.1Å; A2490-S2493 PolarHBondContact O-OG 3.08Å; I2491-S2493 VanDerWaalsContact C-N 3.28Å; I2491-S2493 PolarHBondContact O-N 3.03Å; S2493-E2496 PolarHBondContact O-N 3.16Å; S2493-K2497 WeakPolarHBondContact O-CB 3.48Å; S2493-K2497 WeakPolarHBondContact O-CG 3.37Å; S2493-K2497 PolarHBondContact O-N 3.15Å; S2493-K2497 VanDerWaalsContact O-N 3.11Å
2494V85.8Confident84.8Confident17.8 Ų17.858.4 Ų58.411%0.10829%0.293CS..Hα-helixtrans-66.9-42.6175.2172.60000110.2F2466 A2490 I2491 S2492 K2497 A2498F2466-V2494 HydrophobicContact CD2-CG1 4.04Å; F2466-V2494 HydrophobicContact CE2-CB 4.44Å; F2466-V2494 HydrophobicContact CE2-CG1 4.28Å; A2490-V2494 WeakPolarHBondContact O-CG2 3.37Å; A2490-V2494 PolarHBondContact O-N 3.19Å; A2490-V2494 VanDerWaalsContact O-N 3.15Å; I2491-V2494 WeakPolarHBondContact O-CA 3.32Å; I2491-V2494 WeakPolarHBondContact O-CB 3.36Å; I2491-V2494 PolarHBondContact O-N 3.01Å; I2491-V2494 VanDerWaalsContact O-N 3.1Å; S2492-V2494 VanDerWaalsContact C-N 3.34Å; S2492-V2494 PolarHBondContact O-N 3.07Å; V2494-K2497 PolarHBondContact O-N 3.16Å; V2494-A2498 WeakPolarHBondContact O-CB 3.37Å; V2494-A2498 PolarHBondContact O-N 3.21Å
2495L88.7Confident84.3Confident0.2 Ų0.261.3 Ų61.30%0.00130%0.302CS..Hα-helixtrans-68-37.5177.6-63.3-177.4000112.2I2491 S2492 K2497 A2498 I2499 I2513 V2518 V2521 L2552 V2556I2491-L2495 HydrophobicContact CG2-CD1 4.02Å; I2491-L2495 HydrophobicContact CG2-CG 4.17Å; I2491-L2495 WeakPolarHBondContact O-CG 3.31Å; I2491-L2495 PolarHBondContact O-N 3.16Å; S2492-L2495 CarbonylContact O-C 3.52Å; S2492-L2495 PolarHBondContact O-N 3.3Å; S2492-L2495 VanDerWaalsContact O-N 3.15Å; L2495-K2497 VanDerWaalsContact C-N 3.35Å; L2495-K2497 PolarHBondContact O-N 2.87Å; L2495-A2498 PolarHBondContact O-N 3.1Å; L2495-I2499 WeakPolarHBondContact O-CB 3.28Å; L2495-I2499 WeakPolarHBondContact O-CD1 3.23Å; L2495-I2499 WeakPolarHBondContact O-CG1 3.38Å; L2495-I2499 PolarHBondContact O-N 3.2Å; L2495-I2513 HydrophobicContact CB-CD1 4.02Å; L2495-V2518 HydrophobicContact CD1-CG2 4.15Å; L2495-V2521 HydrophobicContact CD1-CB 4.41Å; L2495-V2521 HydrophobicContact CD1-CG1 4.41Å; L2495-V2521 HydrophobicContact CD1-CG2 4.49Å; L2495-V2521 HydrophobicContact CD2-CG1 4.09Å; L2495-L2552 HydrophobicContact CB-CD2 4.29Å; L2495-L2552 HydrophobicContact CD1-CD2 4.36Å; L2495-L2552 HydrophobicContact CD2-CD2 3.86Å; L2495-L2552 HydrophobicContact CD2-CG 4.22Å; L2495-L2552 HydrophobicContact CG-CD2 4.34Å; L2495-V2556 HydrophobicContact CD2-CG2 4.39Å
2496E87.4Confident83.8Confident118.8 Ų118.863.3 Ų63.356%0.55532%0.316SS*.Hα-helixtrans-60.1-47.1174-81.4173.5-174.300111.4S2492 S2493 A2498 I2499 S2500 I2513S2492-E2496 WeakPolarHBondContact O-CB 3.46Å; S2492-E2496 WeakPolarHBondContact O-CG 3.39Å; S2492-E2496 PolarHBondContact O-N 3.35Å; S2493-E2496 PolarHBondContact O-N 3.16Å; E2496-A2498 VanDerWaalsContact C-N 3.33Å; E2496-A2498 PolarHBondContact O-N 2.9Å; E2496-I2499 PolarHBondContact O-N 3.28Å; E2496-S2500 WeakPolarHBondContact O-CB 3.46Å; E2496-S2500 PolarHBondContact O-N 3Å; E2496-S2500 PolarHBondContact O-OG 3.31Å; E2496-I2513 HydrophobicContact CB-CD1 4.09Å; E2496-I2513 HydrophobicContact CG-CD1 3.26Å; E2496-I2513 VanDerWaalsContact N-CD1 3.35Å
2497K85Confident83.3Confident131.4 Ų131.468.3 Ų68.357%0.57134%0.335SS*.Hα-helixtrans-62.2-43.3175.2-133.8176.8-179.4-179.90111.4L2472 S2493 V2494 L2495 I2499 S2500 T2501L2472-K2497 HydrophobicContact CD1-CD 4.06Å; L2472-K2497 HydrophobicContact CD1-CG 4.34Å; S2493-K2497 WeakPolarHBondContact O-CB 3.48Å; S2493-K2497 WeakPolarHBondContact O-CG 3.37Å; S2493-K2497 PolarHBondContact O-N 3.15Å; S2493-K2497 VanDerWaalsContact O-N 3.11Å; V2494-K2497 PolarHBondContact O-N 3.16Å; L2495-K2497 VanDerWaalsContact C-N 3.35Å; L2495-K2497 PolarHBondContact O-N 2.87Å; K2497-I2499 VanDerWaalsContact C-N 3.34Å; K2497-I2499 PolarHBondContact O-N 3.32Å; K2497-S2500 WeakPolarHBondContact CA-OG 3.15Å; K2497-S2500 WeakPolarHBondContact O-CB 3.45Å; K2497-S2500 PolarHBondContact O-N 3.14Å; K2497-S2500 PolarHBondContact O-OG 2.91Å; K2497-T2501 WeakPolarHBondContact O-CB 3.39Å; K2497-T2501 PolarHBondContact O-N 3.18Å; K2497-T2501 VanDerWaalsContact O-N 3.09Å; K2497-T2501 PolarHBondContact O-OG1 3.12Å; K2497-T2501 VanDerWaalsContact O-OG1 3.1Å
2498A84Confident82.7Confident1.4 Ų1.467.1 Ų67.11%0.01233%0.332CS..Hα-helixtrans-64.9-41.7177.800000112.1V2494 L2495 E2496 S2500 T2501 F2502 L2552 Y2555 V2556V2494-A2498 WeakPolarHBondContact O-CB 3.37Å; V2494-A2498 PolarHBondContact O-N 3.21Å; L2495-A2498 PolarHBondContact O-N 3.1Å; E2496-A2498 VanDerWaalsContact C-N 3.33Å; E2496-A2498 PolarHBondContact O-N 2.9Å; A2498-S2500 VanDerWaalsContact C-N 3.35Å; A2498-T2501 PolarHBondContact O-N 3.24Å; A2498-F2502 WeakPolarHBondContact O-CB 3.38Å; A2498-F2502 PolarHBondContact O-N 2.91Å; A2498-L2552 HydrophobicContact CB-CD1 3.89Å; A2498-Y2555 HydrophobicContact CB-CD1 4.36Å; A2498-V2556 HydrophobicContact CB-CG2 3.7Å
2499I85.3Confident81.9Confident22.6 Ų22.666.9 Ų66.912%0.11633%0.331CS..Hα-helixtrans-64.1-43.6176.9-70.7165.1000110.6L2495 E2496 K2497 T2501 F2502 K2503 I2511 I2513 L2552L2495-I2499 WeakPolarHBondContact O-CB 3.28Å; L2495-I2499 WeakPolarHBondContact O-CD1 3.23Å; L2495-I2499 WeakPolarHBondContact O-CG1 3.38Å; L2495-I2499 PolarHBondContact O-N 3.2Å; E2496-I2499 PolarHBondContact O-N 3.28Å; K2497-I2499 VanDerWaalsContact C-N 3.34Å; K2497-I2499 PolarHBondContact O-N 3.32Å; I2499-T2501 VanDerWaalsContact C-N 3.33Å; I2499-T2501 PolarHBondContact O-N 3.04Å; I2499-F2502 PolarHBondContact O-N 3.09Å; I2499-K2503 VanDerWaalsContact O-CB 3.28Å; I2499-K2503 WeakPolarHBondContact O-CB 3.38Å; I2499-K2503 PolarHBondContact O-N 3.08Å; I2499-I2511 HydrophobicContact CD1-CB 4.31Å; I2499-I2511 HydrophobicContact CD1-CD1 4.13Å; I2499-I2511 HydrophobicContact CD1-CG2 4.32Å; I2499-I2511 HydrophobicContact CG1-CD1 4.23Å; I2499-I2511 HydrophobicContact CG2-CD1 4.48Å; I2499-I2513 HydrophobicContact CD1-CD1 3.99Å; I2499-I2513 HydrophobicContact CD1-CG1 3.8Å; I2499-L2552 HydrophobicContact CD1-CD1 4.39Å; I2499-L2552 HydrophobicContact CD1-CD2 4.17Å; I2499-L2552 HydrophobicContact CG1-CD1 3.78Å; I2499-L2552 HydrophobicContact CG1-CD2 3.98Å; I2499-L2552 HydrophobicContact CG1-CG 4.46Å
2500S83Confident81.2Confident69.6 Ų69.666.4 Ų66.449%0.48733%0.329SS..Hα-helixtrans-62.7-42177.774.20000112E2496 K2497 A2498 K2503 Y2504E2496-S2500 WeakPolarHBondContact O-CB 3.46Å; E2496-S2500 PolarHBondContact O-N 3Å; E2496-S2500 PolarHBondContact O-OG 3.31Å; K2497-S2500 WeakPolarHBondContact CA-OG 3.15Å; K2497-S2500 WeakPolarHBondContact O-CB 3.45Å; K2497-S2500 PolarHBondContact O-N 3.14Å; K2497-S2500 PolarHBondContact O-OG 2.91Å; A2498-S2500 VanDerWaalsContact C-N 3.35Å; S2500-K2503 WeakPolarHBondContact O-CB 3.44Å; S2500-K2503 PolarHBondContact O-N 2.81Å; S2500-Y2504 WeakPolarHBondContact O-CD2 3.27Å; S2500-Y2504 PolarHBondContact O-N 3.18Å
2501T81.5Confident80.7Confident50.2 Ų50.266.7 Ų66.731%0.30833%0.326SS..Hα-helixtrans-70.8-42.9177.4-43.60000111.4K2497 A2498 I2499 K2503 Y2504 E2505 Y2555K2497-T2501 WeakPolarHBondContact O-CB 3.39Å; K2497-T2501 PolarHBondContact O-N 3.18Å; K2497-T2501 VanDerWaalsContact O-N 3.09Å; K2497-T2501 PolarHBondContact O-OG1 3.12Å; K2497-T2501 VanDerWaalsContact O-OG1 3.1Å; A2498-T2501 PolarHBondContact O-N 3.24Å; I2499-T2501 VanDerWaalsContact C-N 3.33Å; I2499-T2501 PolarHBondContact O-N 3.04Å; T2501-K2503 VanDerWaalsContact C-N 3.31Å; T2501-K2503 PolarHBondContact O-N 3.21Å; T2501-Y2504 WeakPolarHBondContact O-CB 3.4Å; T2501-Y2504 PolarHBondContact O-N 3.1Å; T2501-Y2504 VanDerWaalsContact O-N 3.1Å; T2501-E2505 HydrophobicContact CG2-CG 4.42Å; T2501-E2505 PolarHBondContact O-N 3.01Å; T2501-E2505 VanDerWaalsContact O-N 3.11Å; T2501-Y2555 WeakPolarHBondContact CB-OH 3.38Å; T2501-Y2555 WeakPolarHBondContact CG2-OH 3.26Å
2502F81Confident80.3Confident12.8 Ų12.867.9 Ų67.96%0.05633%0.333CS..Hα-helixtrans-59.5-41.6175.7-173.4-79.3000111.8A2498 I2499 Y2504 E2505 M2506 Y2507 L2509 Y2555A2498-F2502 WeakPolarHBondContact O-CB 3.38Å; A2498-F2502 PolarHBondContact O-N 2.91Å; I2499-F2502 PolarHBondContact O-N 3.09Å; F2502-Y2504 VanDerWaalsContact C-N 3.25Å; F2502-Y2504 PolarHBondContact O-N 3.22Å; F2502-E2505 PolarHBondContact O-N 3.17Å; F2502-M2506 HydrophobicContact CD1-CB 3.98Å; F2502-M2506 HydrophobicContact CD2-CB 4.44Å; F2502-M2506 HydrophobicContact CD2-CG 4.2Å; F2502-M2506 HydrophobicContact CE1-CB 3.62Å; F2502-M2506 HydrophobicContact CE1-CG 4.31Å; F2502-M2506 HydrophobicContact CE2-CB 4.14Å; F2502-M2506 HydrophobicContact CE2-CG 3.92Å; F2502-M2506 HydrophobicContact CG-CB 4.37Å; F2502-M2506 HydrophobicContact CZ-CB 3.72Å; F2502-M2506 HydrophobicContact CZ-CG 3.98Å; F2502-M2506 WeakPolarHBondContact O-CA 3.35Å; F2502-M2506 WeakPolarHBondContact O-CB 3.29Å; F2502-M2506 PolarHBondContact O-N 3.28Å; F2502-Y2507 WeakPolarHBondContact CD1-O 3.36Å; F2502-Y2507 HydrophobicContact CE1-CD1 4.14Å; F2502-Y2507 HydrophobicContact CE1-CD2 4.39Å; F2502-Y2507 AromaticContact CE1-CE1 3.88Å; F2502-Y2507 HydrophobicContact CE1-CE1 3.95Å; F2502-Y2507 HydrophobicContact CE1-CE2 4.31Å; F2502-Y2507 HydrophobicContact CE1-CG 4.34Å; F2502-Y2507 AromaticContact CE1-CZ 3.93Å; F2502-Y2507 WeakPolarHBondContact CE1-O 3.44Å; F2502-Y2507 HydrophobicContact CZ-CD1 4.4Å; F2502-Y2507 AromaticContact CZ-CE1 3.87Å; F2502-Y2507 HydrophobicContact CZ-CE1 3.91Å; F2502-Y2507 AromaticContact CZ-CZ 3.97Å; F2502-Y2507 PolarHBondContact O-N 3.28Å; F2502-L2509 HydrophobicContact CD1-CD1 3.39Å; F2502-L2509 VanDerWaalsContact CD1-CD1 3.43Å; F2502-L2509 HydrophobicContact CD1-CD2 4.27Å; F2502-L2509 HydrophobicContact CD1-CG 3.68Å; F2502-L2509 HydrophobicContact CD2-CD1 4.5Å; F2502-L2509 HydrophobicContact CE1-CD1 3.51Å; F2502-L2509 VanDerWaalsContact CE1-CD1 3.48Å; F2502-L2509 HydrophobicContact CE1-CD2 3.7Å; F2502-L2509 HydrophobicContact CE1-CG 3.55Å; F2502-L2509 VanDerWaalsContact CE1-CG 3.48Å; F2502-L2509 HydrophobicContact CG-CD1 4Å; F2502-L2509 HydrophobicContact CZ-CD1 4.06Å; F2502-L2509 HydrophobicContact CZ-CD2 4.26Å; F2502-L2509 HydrophobicContact CZ-CG 4.37Å; F2502-Y2555 HydrophobicContact CB-CD1 4.31Å; F2502-Y2555 HydrophobicContact CB-CE1 4.29Å; F2502-Y2555 HydrophobicContact CD2-CD1 4.19Å; F2502-Y2555 AromaticContact CD2-CD2 3.81Å; F2502-Y2555 HydrophobicContact CD2-CD2 3.81Å; F2502-Y2555 HydrophobicContact CD2-CE2 4.4Å; F2502-Y2555 AromaticContact CD2-CG 3.68Å; F2502-Y2555 HydrophobicContact CD2-CG 3.68Å; F2502-Y2555 HydrophobicContact CE2-CD2 4.44Å; F2502-Y2555 HydrophobicContact CE2-CG 4.43Å
2503K80.6Confident80.1Confident106.4 Ų106.468.1 Ų68.146%0.46333%0.332SS..Hα-helixtrans-59.1-36.4175.9176.1174176.6162.90112.1I2499 S2500 T2501 D2508I2499-K2503 VanDerWaalsContact O-CB 3.28Å; I2499-K2503 WeakPolarHBondContact O-CB 3.38Å; I2499-K2503 PolarHBondContact O-N 3.08Å; S2500-K2503 WeakPolarHBondContact O-CB 3.44Å; S2500-K2503 PolarHBondContact O-N 2.81Å; T2501-K2503 VanDerWaalsContact C-N 3.31Å; T2501-K2503 PolarHBondContact O-N 3.21Å; K2503-D2508 HydrophobicContact CD-CB 4.17Å; K2503-D2508 VanDerWaalsContact CE-CG 3.47Å; K2503-D2508 WeakPolarHBondContact CE-OD1 3.36Å; K2503-D2508 WeakPolarHBondContact CE-OD2 3.33Å; K2503-D2508 HydrophobicContact CG-CB 4.04Å; K2503-D2508 WeakPolarHBondContact CG-OD1 3.38Å; K2503-D2508 IonicContact NZ-OD1 2.82Å; K2503-D2508 IonicContact NZ-OD2 2.79Å; K2503-D2508 PolarHBondContact NZ-OD2 3Å
2504Y75.8Confident80.2Confident199 Ų19966.1 Ų66.178%0.7832%0.318SS*.Hα-helixtrans-77.1-39.5178.8-162.7-90.2000112.9S2500 T2501 F2502 Q3355S2500-Y2504 WeakPolarHBondContact O-CD2 3.27Å; S2500-Y2504 PolarHBondContact O-N 3.18Å; T2501-Y2504 WeakPolarHBondContact O-CB 3.4Å; T2501-Y2504 PolarHBondContact O-N 3.1Å; T2501-Y2504 VanDerWaalsContact O-N 3.1Å; F2502-Y2504 VanDerWaalsContact C-N 3.25Å; F2502-Y2504 PolarHBondContact O-N 3.22Å; Y2504-Q3355 PolarHBondContact OH-NE2 3.44Å
2505E75.4Confident80.2Confident105.6 Ų105.668.3 Ų68.349%0.49333%0.329SS..Hα-helixtrans-86.8-30.9-174.9-68.5-178.6172.700113.9T2501 F2502 Y2555T2501-E2505 HydrophobicContact CG2-CG 4.42Å; T2501-E2505 PolarHBondContact O-N 3.01Å; T2501-E2505 VanDerWaalsContact O-N 3.11Å; F2502-E2505 PolarHBondContact O-N 3.17Å; E2505-Y2555 VanDerWaalsContact CD-OH 3.28Å; E2505-Y2555 PolarHBondContact OE1-OH 3.44Å; E2505-Y2555 VanDerWaalsContact OE2-CE2 3.24Å; E2505-Y2555 WeakPolarHBondContact OE2-CE2 3.33Å; E2505-Y2555 VanDerWaalsContact OE2-CZ 3.28Å; E2505-Y2555 PolarHBondContact OE2-OH 3.14Å
2506M74.5Confident80.2Confident119.6 Ų119.669 Ų6959%0.58933%0.332SS*.SBendtrans-119.6-94-172.7-61.8-68.7136.500110.8F2502F2502-M2506 HydrophobicContact CD1-CB 3.98Å; F2502-M2506 HydrophobicContact CD2-CB 4.44Å; F2502-M2506 HydrophobicContact CD2-CG 4.2Å; F2502-M2506 HydrophobicContact CE1-CB 3.62Å; F2502-M2506 HydrophobicContact CE1-CG 4.31Å; F2502-M2506 HydrophobicContact CE2-CB 4.14Å; F2502-M2506 HydrophobicContact CE2-CG 3.92Å; F2502-M2506 HydrophobicContact CG-CB 4.37Å; F2502-M2506 HydrophobicContact CZ-CB 3.72Å; F2502-M2506 HydrophobicContact CZ-CG 3.98Å; F2502-M2506 WeakPolarHBondContact O-CA 3.35Å; F2502-M2506 WeakPolarHBondContact O-CB 3.29Å; F2502-M2506 PolarHBondContact O-N 3.28Å
2507Y75.1Confident80.4Confident125.4 Ų125.463.6 Ų63.649%0.49231%0.307SS..  trans-153.4157.8-178.757-87.8000110.4F2502 L2509F2502-Y2507 WeakPolarHBondContact CD1-O 3.36Å; F2502-Y2507 HydrophobicContact CE1-CD1 4.14Å; F2502-Y2507 HydrophobicContact CE1-CD2 4.39Å; F2502-Y2507 AromaticContact CE1-CE1 3.88Å; F2502-Y2507 HydrophobicContact CE1-CE1 3.95Å; F2502-Y2507 HydrophobicContact CE1-CE2 4.31Å; F2502-Y2507 HydrophobicContact CE1-CG 4.34Å; F2502-Y2507 AromaticContact CE1-CZ 3.93Å; F2502-Y2507 WeakPolarHBondContact CE1-O 3.44Å; F2502-Y2507 HydrophobicContact CZ-CD1 4.4Å; F2502-Y2507 AromaticContact CZ-CE1 3.87Å; F2502-Y2507 HydrophobicContact CZ-CE1 3.91Å; F2502-Y2507 AromaticContact CZ-CZ 3.97Å; F2502-Y2507 PolarHBondContact O-N 3.28Å; Y2507-L2509 HydrophobicContact CD2-CD2 4.17Å; Y2507-L2509 HydrophobicContact CD2-CG 4.19Å; Y2507-L2509 HydrophobicContact CE2-CD2 3.46Å; Y2507-L2509 VanDerWaalsContact CE2-CD2 3.44Å; Y2507-L2509 HydrophobicContact CE2-CG 4.21Å; Y2507-L2509 PolarHBondContact O-N 3.05Å; Y2507-L2509 VanDerWaalsContact O-N 3.1Å
2508D73.1Confident80.6Confident83 Ų8357.4 Ų57.444%0.44428%0.28SS..  trans-67.7113.3178.4-150.5-9.9000110.7K2503 N2510K2503-D2508 HydrophobicContact CD-CB 4.17Å; K2503-D2508 VanDerWaalsContact CE-CG 3.47Å; K2503-D2508 WeakPolarHBondContact CE-OD1 3.36Å; K2503-D2508 WeakPolarHBondContact CE-OD2 3.33Å; K2503-D2508 HydrophobicContact CG-CB 4.04Å; K2503-D2508 WeakPolarHBondContact CG-OD1 3.38Å; K2503-D2508 IonicContact NZ-OD1 2.82Å; K2503-D2508 IonicContact NZ-OD2 2.79Å; K2503-D2508 PolarHBondContact NZ-OD2 3Å; D2508-N2510 VanDerWaalsContact C-N 3.26Å; D2508-N2510 PolarHBondContact O-N 3.14Å; D2508-N2510 WeakPolarHBondContact OD1-CA 3.32Å; D2508-N2510 PolarHBondContact OD1-N 3.1Å
2509L68.7Low80.9Confident25.2 Ų25.259.7 Ų59.713%0.13229%0.29CS..  trans-80.6-0175.1-68.8170.4000111.7F2502 Y2507 I2511 T2548 L2552F2502-L2509 HydrophobicContact CD1-CD1 3.39Å; F2502-L2509 VanDerWaalsContact CD1-CD1 3.43Å; F2502-L2509 HydrophobicContact CD1-CD2 4.27Å; F2502-L2509 HydrophobicContact CD1-CG 3.68Å; F2502-L2509 HydrophobicContact CD2-CD1 4.5Å; F2502-L2509 HydrophobicContact CE1-CD1 3.51Å; F2502-L2509 VanDerWaalsContact CE1-CD1 3.48Å; F2502-L2509 HydrophobicContact CE1-CD2 3.7Å; F2502-L2509 HydrophobicContact CE1-CG 3.55Å; F2502-L2509 VanDerWaalsContact CE1-CG 3.48Å; F2502-L2509 HydrophobicContact CG-CD1 4Å; F2502-L2509 HydrophobicContact CZ-CD1 4.06Å; F2502-L2509 HydrophobicContact CZ-CD2 4.26Å; F2502-L2509 HydrophobicContact CZ-CG 4.37Å; Y2507-L2509 HydrophobicContact CD2-CD2 4.17Å; Y2507-L2509 HydrophobicContact CD2-CG 4.19Å; Y2507-L2509 HydrophobicContact CE2-CD2 3.46Å; Y2507-L2509 VanDerWaalsContact CE2-CD2 3.44Å; Y2507-L2509 HydrophobicContact CE2-CG 4.21Å; Y2507-L2509 PolarHBondContact O-N 3.05Å; Y2507-L2509 VanDerWaalsContact O-N 3.1Å; L2509-I2511 VanDerWaalsContact C-N 3.32Å; L2509-I2511 HydrophobicContact CB-CB 4.48Å; L2509-I2511 HydrophobicContact CB-CD1 3.34Å; L2509-I2511 HydrophobicContact CB-CG1 3.47Å; L2509-I2511 HydrophobicContact CD1-CD1 3.56Å; L2509-I2511 VanDerWaalsContact CD1-CD1 3.48Å; L2509-I2511 HydrophobicContact CD1-CG1 4.5Å; L2509-I2511 HydrophobicContact CD2-CD1 4Å; L2509-I2511 HydrophobicContact CD2-CG1 4.39Å; L2509-I2511 HydrophobicContact CG-CD1 3.96Å; L2509-I2511 HydrophobicContact CG-CG1 4.47Å; L2509-I2511 WeakPolarHBondContact O-CD1 3.36Å; L2509-I2511 WeakPolarHBondContact O-CG1 3.35Å; L2509-I2511 PolarHBondContact O-N 3.22Å; L2509-T2548 HydrophobicContact CB-CG2 4.2Å; L2509-T2548 HydrophobicContact CD1-CG2 3.89Å; L2509-T2548 HydrophobicContact CD2-CG2 4.24Å; L2509-T2548 HydrophobicContact CG-CG2 4.25Å; L2509-L2552 HydrophobicContact CD1-CD2 4.12Å
2510N71Confident81.2Confident111.4 Ų111.458.8 Ų58.860%0.59629%0.285SS*.  trans33.356.9179.2-146.47.8000112.4D2508D2508-N2510 VanDerWaalsContact C-N 3.26Å; D2508-N2510 PolarHBondContact O-N 3.14Å; D2508-N2510 WeakPolarHBondContact OD1-CA 3.32Å; D2508-N2510 PolarHBondContact OD1-N 3.1Å
2511I74.3Confident81.6Confident32.2 Ų32.255.5 Ų55.517%0.16526%0.262CS..  trans-110.4140.1-170.8-56.8163.1000111I2499 L2509 L2517 T2548 L2552I2499-I2511 HydrophobicContact CD1-CB 4.31Å; I2499-I2511 HydrophobicContact CD1-CD1 4.13Å; I2499-I2511 HydrophobicContact CD1-CG2 4.32Å; I2499-I2511 HydrophobicContact CG1-CD1 4.23Å; I2499-I2511 HydrophobicContact CG2-CD1 4.48Å; L2509-I2511 VanDerWaalsContact C-N 3.32Å; L2509-I2511 HydrophobicContact CB-CB 4.48Å; L2509-I2511 HydrophobicContact CB-CD1 3.34Å; L2509-I2511 HydrophobicContact CB-CG1 3.47Å; L2509-I2511 HydrophobicContact CD1-CD1 3.56Å; L2509-I2511 VanDerWaalsContact CD1-CD1 3.48Å; L2509-I2511 HydrophobicContact CD1-CG1 4.5Å; L2509-I2511 HydrophobicContact CD2-CD1 4Å; L2509-I2511 HydrophobicContact CD2-CG1 4.39Å; L2509-I2511 HydrophobicContact CG-CD1 3.96Å; L2509-I2511 HydrophobicContact CG-CG1 4.47Å; L2509-I2511 WeakPolarHBondContact O-CD1 3.36Å; L2509-I2511 WeakPolarHBondContact O-CG1 3.35Å; L2509-I2511 PolarHBondContact O-N 3.22Å; I2511-L2517 HydrophobicContact CG2-CD2 3.54Å; I2511-L2517 VanDerWaalsContact CG2-CD2 3.49Å; I2511-T2548 HydrophobicContact CB-CG2 4.46Å; I2511-T2548 HydrophobicContact CD1-CG2 3.19Å; I2511-T2548 VanDerWaalsContact CD1-CG2 3.49Å; I2511-T2548 WeakPolarHBondContact CD1-OG1 3.38Å; I2511-T2548 HydrophobicContact CG1-CG2 3.51Å; I2511-T2548 VanDerWaalsContact CG1-CG2 3.47Å; I2511-T2548 HydrophobicContact CG2-CG2 4.23Å; I2511-L2552 HydrophobicContact CD1-CD1 3.85Å; I2511-L2552 HydrophobicContact CD1-CD2 4.43Å; I2511-L2552 HydrophobicContact CD1-CG 4.31Å
2512V79.7Confident82.1Confident25.2 Ų25.253.1 Ų53.115%0.15325%0.248CC..  trans-95.4130.9167.3-173.30000108.8I2514 K2703 T2704 Y2707V2512-I2514 HydrophobicContact CB-CD1 4.21Å; V2512-I2514 HydrophobicContact CB-CG1 3.94Å; V2512-I2514 HydrophobicContact CB-CG2 4.35Å; V2512-I2514 HydrophobicContact CG1-CD1 4.33Å; V2512-I2514 HydrophobicContact CG1-CG1 3.68Å; V2512-I2514 HydrophobicContact CG1-CG2 4.02Å; V2512-I2514 PolarHBondContact O-N 3.12Å; V2512-I2514 VanDerWaalsContact O-N 3.11Å; V2512-K2703 HydrophobicContact CG1-CB 4.48Å; V2512-K2703 HydrophobicContact CG1-CD 4.45Å; V2512-K2703 HydrophobicContact CG1-CG 4.25Å; V2512-T2704 HydrophobicContact CG2-CG2 4.37Å; V2512-Y2707 HydrophobicContact CG1-CG 4.46Å; V2512-Y2707 HydrophobicContact CG2-CD1 3.35Å; V2512-Y2707 VanDerWaalsContact CG2-CD1 3.43Å; V2512-Y2707 HydrophobicContact CG2-CD2 4.22Å; V2512-Y2707 HydrophobicContact CG2-CE1 4.01Å; V2512-Y2707 HydrophobicContact CG2-CG 3.52Å; V2512-Y2707 VanDerWaalsContact CG2-CG 3.41Å
2513I84.9Confident82.6Confident24.8 Ų24.852.8 Ų52.813%0.12725%0.246CC..  trans-74.3108.1171.7-59.7178.2000108.3S2492 L2495 E2496 I2499 V2518 K2703S2492-I2513 WeakPolarHBondContact O-CD1 3.36Å; L2495-I2513 HydrophobicContact CB-CD1 4.02Å; E2496-I2513 HydrophobicContact CB-CD1 4.09Å; E2496-I2513 HydrophobicContact CG-CD1 3.26Å; E2496-I2513 VanDerWaalsContact N-CD1 3.35Å; I2499-I2513 HydrophobicContact CD1-CD1 3.99Å; I2499-I2513 HydrophobicContact CD1-CG1 3.8Å; I2513-V2518 HydrophobicContact CG2-CG2 3.72Å; I2513-K2703 VanDerWaalsContact O-CE 3.26Å; I2513-K2703 WeakPolarHBondContact O-CE 3.26Å; I2513-K2703 PolarHBondContact O-NZ 3.39Å
2514I88.4Confident83.2Confident6.4 Ų6.447.7 Ų47.73%0.03322%0.224CC..  trans-117.2155.1177.243.7172.8000109V2512 E2516 L2517 V2518 W2696 S2700 K2703 T2704V2512-I2514 HydrophobicContact CB-CD1 4.21Å; V2512-I2514 HydrophobicContact CB-CG1 3.94Å; V2512-I2514 HydrophobicContact CB-CG2 4.35Å; V2512-I2514 HydrophobicContact CG1-CD1 4.33Å; V2512-I2514 HydrophobicContact CG1-CG1 3.68Å; V2512-I2514 HydrophobicContact CG1-CG2 4.02Å; V2512-I2514 PolarHBondContact O-N 3.12Å; V2512-I2514 VanDerWaalsContact O-N 3.11Å; I2514-E2516 HydrophobicContact CD1-CB 4.44Å; I2514-E2516 WeakPolarHBondContact CG2-OE2 3.45Å; I2514-E2516 PolarHBondContact O-N 3.02Å; I2514-E2516 VanDerWaalsContact O-N 3.15Å; I2514-L2517 HydrophobicContact CG1-CB 3.86Å; I2514-L2517 WeakPolarHBondContact O-CA 3.36Å; I2514-L2517 WeakPolarHBondContact O-CB 3.39Å; I2514-L2517 PolarHBondContact O-N 3.18Å; I2514-V2518 PolarHBondContact O-N 2.99Å; I2514-V2518 VanDerWaalsContact O-N 3.09Å; I2514-W2696 HydrophobicContact CD1-CD2 3.81Å; I2514-W2696 VanDerWaalsContact CD1-CE2 3.42Å; I2514-W2696 HydrophobicContact CD1-CE3 4.42Å; I2514-W2696 HydrophobicContact CD1-CG 4.13Å; I2514-W2696 HydrophobicContact CD1-CH2 4.18Å; I2514-W2696 HydrophobicContact CD1-CZ2 3.68Å; I2514-W2696 HydrophobicContact CD1-CZ3 4.38Å; I2514-S2700 WeakPolarHBondContact CG2-OG 3.5Å; I2514-K2703 HydrophobicContact CG2-CB 4.3Å; I2514-K2703 HydrophobicContact CG2-CD 4.44Å; I2514-T2704 WeakPolarHBondContact CD1-OG1 3.45Å
2515D86.8Confident84Confident62.8 Ų62.838.3 Ų38.334%0.33619%0.187SC..Hα-helixtrans-56.5-36-175.1-56.56000111.9L2517 V2518 K2519 K2703D2515-L2517 VanDerWaalsContact C-N 3.35Å; D2515-L2517 PolarHBondContact O-N 3.2Å; D2515-V2518 PolarHBondContact O-N 3.18Å; D2515-K2519 VanDerWaalsContact O-CB 3.3Å; D2515-K2519 WeakPolarHBondContact O-CB 3.32Å; D2515-K2519 VanDerWaalsContact O-CG 3.25Å; D2515-K2519 WeakPolarHBondContact O-CG 3.36Å; D2515-K2519 PolarHBondContact O-N 3.25Å; D2515-K2703 IonicContact OD1-NZ 3.6Å; D2515-K2703 PolarHBondContact OD1-NZ 3.38Å; D2515-K2703 IonicContact OD2-NZ 3.68Å
2516E88.6Confident84.7Confident15.4 Ų15.433.6 Ų33.67%0.07217%0.165CC..Hα-helixtrans-68.7-34.1176.8-62.780.217900112.8I2514 L2520 F2693 T2697 S2700I2514-E2516 HydrophobicContact CD1-CB 4.44Å; I2514-E2516 WeakPolarHBondContact CG2-OE2 3.45Å; I2514-E2516 PolarHBondContact O-N 3.02Å; I2514-E2516 VanDerWaalsContact O-N 3.15Å; E2516-L2520 VanDerWaalsContact O-CB 3.26Å; E2516-L2520 WeakPolarHBondContact O-CB 3.34Å; E2516-L2520 VanDerWaalsContact O-CG 3.31Å; E2516-L2520 WeakPolarHBondContact O-CG 3.36Å; E2516-L2520 PolarHBondContact O-N 3.05Å; E2516-F2693 HydrophobicContact CB-CE1 4.43Å; E2516-F2693 HydrophobicContact CG-CD1 4.45Å; E2516-F2693 HydrophobicContact CG-CE1 4.37Å; E2516-T2697 VanDerWaalsContact OE1-CB 3.3Å; E2516-T2697 WeakPolarHBondContact OE1-CB 3.38Å; E2516-T2697 VanDerWaalsContact OE1-CG2 3.28Å; E2516-T2697 WeakPolarHBondContact OE1-CG2 3.38Å; E2516-T2697 PolarHBondContact OE1-N 3.21Å; E2516-T2697 PolarHBondContact OE1-OG1 3.17Å; E2516-S2700 VanDerWaalsContact CD-OG 3.3Å; E2516-S2700 PolarHBondContact OE1-OG 3.33Å; E2516-S2700 WeakPolarHBondContact OE2-CB 3.41Å; E2516-S2700 PolarHBondContact OE2-OG 3.27Å
2517L90.9Very high85.5Confident5.8 Ų5.827.9 Ų27.93%0.0314%0.137CC..Hα-helixtrans-67.8-45.4174.8177.766000109.9I2511 I2514 D2515 L2520 V2521 T2548 A2549I2511-L2517 HydrophobicContact CG2-CD2 3.54Å; I2511-L2517 VanDerWaalsContact CG2-CD2 3.49Å; I2514-L2517 HydrophobicContact CG1-CB 3.86Å; I2514-L2517 WeakPolarHBondContact O-CA 3.36Å; I2514-L2517 WeakPolarHBondContact O-CB 3.39Å; I2514-L2517 PolarHBondContact O-N 3.18Å; D2515-L2517 VanDerWaalsContact C-N 3.35Å; D2515-L2517 PolarHBondContact O-N 3.2Å; L2517-L2520 WeakPolarHBondContact O-CB 3.42Å; L2517-L2520 PolarHBondContact O-N 3.28Å; L2517-V2521 HydrophobicContact CD1-CG2 4.39Å; L2517-V2521 VanDerWaalsContact O-CG2 3.3Å; L2517-V2521 WeakPolarHBondContact O-CG2 3.37Å; L2517-V2521 PolarHBondContact O-N 3.25Å; L2517-T2548 HydrophobicContact CD1-CG2 4.46Å; L2517-A2549 HydrophobicContact CD1-CB 3.79Å
2518V90.6Very high86.2Confident1 Ų122.2 Ų22.21%0.00612%0.115CC..Hα-helixtrans-59.3-50.9176.31790000109.9Y2462 I2488 I2491 L2495 I2513 I2514 D2515 L2520 V2521 V2522Y2462-V2518 HydrophobicContact CE2-CG1 4.49Å; I2488-V2518 HydrophobicContact CG1-CG1 4.07Å; I2491-V2518 HydrophobicContact CB-CG1 4.34Å; I2491-V2518 HydrophobicContact CD1-CG1 4.49Å; I2491-V2518 HydrophobicContact CG2-CG1 3.76Å; L2495-V2518 HydrophobicContact CD1-CG2 4.15Å; I2513-V2518 HydrophobicContact CG2-CG2 3.72Å; I2514-V2518 PolarHBondContact O-N 2.99Å; I2514-V2518 VanDerWaalsContact O-N 3.09Å; D2515-V2518 PolarHBondContact O-N 3.18Å; V2518-L2520 VanDerWaalsContact C-N 3.33Å; V2518-L2520 PolarHBondContact O-N 3.08Å; V2518-V2521 PolarHBondContact O-N 2.98Å; V2518-V2521 VanDerWaalsContact O-N 3.16Å; V2518-V2522 HydrophobicContact CG1-CG1 4.38Å; V2518-V2522 HydrophobicContact CG1-CG2 4.17Å; V2518-V2522 WeakPolarHBondContact O-CB 3.34Å; V2518-V2522 WeakPolarHBondContact O-CG1 3.44Å; V2518-V2522 VanDerWaalsContact O-CG2 3.23Å; V2518-V2522 WeakPolarHBondContact O-CG2 3.36Å; V2518-V2522 PolarHBondContact O-N 3.02Å
2519K89.4Confident86.7Confident50.2 Ų50.220.2 Ų20.222%0.21810%0.103CC..Hα-helixtrans-56.9-45.1176.9-138.1171.8179.5165.70112.1E2459 Y2462 D2515 V2521 V2522 R2523 F2693E2459-K2519 IonicContact OE1-NZ 2.68Å; E2459-K2519 WeakPolarHBondContact OE2-CE 3.43Å; E2459-K2519 IonicContact OE2-NZ 3.34Å; E2459-K2519 PolarHBondContact OE2-NZ 3.27Å; Y2462-K2519 HydrophobicContact CE1-CG 4.01Å; Y2462-K2519 WeakPolarHBondContact OH-CE 3.31Å; D2515-K2519 VanDerWaalsContact O-CB 3.3Å; D2515-K2519 WeakPolarHBondContact O-CB 3.32Å; D2515-K2519 VanDerWaalsContact O-CG 3.25Å; D2515-K2519 WeakPolarHBondContact O-CG 3.36Å; D2515-K2519 PolarHBondContact O-N 3.25Å; K2519-V2521 PolarHBondContact O-N 2.98Å; K2519-V2522 VanDerWaalsContact O-CG2 3.29Å; K2519-V2522 WeakPolarHBondContact O-CG2 3.18Å; K2519-V2522 PolarHBondContact O-N 2.73Å; K2519-R2523 HydrophobicContact CG-CG 4.11Å; K2519-R2523 VanDerWaalsContact O-CB 3.3Å; K2519-R2523 WeakPolarHBondContact O-CB 3.31Å; K2519-R2523 WeakPolarHBondContact O-CD 3.23Å; K2519-R2523 WeakPolarHBondContact O-CG 3.41Å; K2519-R2523 PolarHBondContact O-N 3Å; K2519-F2693 HydrophobicContact CB-CE1 4.37Å; K2519-F2693 HydrophobicContact CB-CZ 4.21Å; K2519-F2693 HydrophobicContact CD-CE1 4.06Å; K2519-F2693 HydrophobicContact CD-CZ 4.17Å; K2519-F2693 HydrophobicContact CG-CE1 4.25Å; K2519-F2693 HydrophobicContact CG-CZ 3.96Å
2520L91.2Very high87.4Confident2.2 Ų2.219.6 Ų19.61%0.01210%0.1CC..Hα-helixtrans-60.2-47.7177-147.897.7000111.6E2516 L2517 V2518 V2522 R2523 M2524 L2538 R2546 A2549 I2691 F2693E2516-L2520 VanDerWaalsContact O-CB 3.26Å; E2516-L2520 WeakPolarHBondContact O-CB 3.34Å; E2516-L2520 VanDerWaalsContact O-CG 3.31Å; E2516-L2520 WeakPolarHBondContact O-CG 3.36Å; E2516-L2520 PolarHBondContact O-N 3.05Å; L2517-L2520 WeakPolarHBondContact O-CB 3.42Å; L2517-L2520 PolarHBondContact O-N 3.28Å; V2518-L2520 VanDerWaalsContact C-N 3.33Å; V2518-L2520 PolarHBondContact O-N 3.08Å; L2520-V2522 PolarHBondContact O-N 3.47Å; L2520-R2523 PolarHBondContact O-N 3.41Å; L2520-M2524 HydrophobicContact CB-CE 4.45Å; L2520-M2524 HydrophobicContact CD1-CG 3.88Å; L2520-M2524 HydrophobicContact CD1-SD 3.53Å; L2520-M2524 VanDerWaalsContact CD1-SD 3.55Å; L2520-M2524 WeakPolarHBondContact CD1-SD 3.35Å; L2520-M2524 HydrophobicContact CD2-SD 4.47Å; L2520-M2524 HydrophobicContact CG-CG 4.45Å; L2520-M2524 HydrophobicContact CG-SD 3.74Å; L2520-M2524 VanDerWaalsContact O-CB 3.28Å; L2520-M2524 WeakPolarHBondContact O-CB 3.35Å; L2520-M2524 WeakPolarHBondContact O-CE 3.43Å; L2520-M2524 WeakPolarHBondContact O-CG 3.35Å; L2520-M2524 PolarHBondContact O-N 3.16Å; L2520-L2538 HydrophobicContact CD1-CD1 4.29Å; L2520-L2538 HydrophobicContact CD1-CD2 3.67Å; L2520-L2538 HydrophobicContact CD2-CD2 4.28Å; L2520-R2546 HydrophobicContact CD1-CG 4.43Å; L2520-R2546 HydrophobicContact CD2-CB 4.44Å; L2520-R2546 HydrophobicContact CD2-CG 4.16Å; L2520-A2549 HydrophobicContact CB-CB 4.28Å; L2520-A2549 HydrophobicContact CD2-CB 3.43Å; L2520-A2549 VanDerWaalsContact CD2-CB 3.43Å; L2520-A2549 HydrophobicContact CG-CB 3.65Å; L2520-I2691 HydrophobicContact CD2-CG2 4.47Å; L2520-F2693 HydrophobicContact CB-CE1 4.13Å; L2520-F2693 HydrophobicContact CB-CE2 4.2Å; L2520-F2693 HydrophobicContact CB-CZ 3.91Å; L2520-F2693 HydrophobicContact CD1-CD2 4.19Å; L2520-F2693 HydrophobicContact CD1-CE2 3.84Å; L2520-F2693 HydrophobicContact CD1-CZ 3.74Å; L2520-F2693 HydrophobicContact CD2-CD2 3.57Å; L2520-F2693 VanDerWaalsContact CD2-CD2 3.49Å; L2520-F2693 HydrophobicContact CD2-CE2 3.18Å; L2520-F2693 HydrophobicContact CD2-CZ 4Å; L2520-F2693 HydrophobicContact CG-CD2 3.98Å; L2520-F2693 HydrophobicContact CG-CE1 4.36Å; L2520-F2693 HydrophobicContact CG-CE2 3.79Å; L2520-F2693 VanDerWaalsContact CG-CE2 3.47Å; L2520-F2693 HydrophobicContact CG-CZ 3.97Å
2521V92.6Very high87.5Confident0.2 Ų0.218 Ų180%0.00110%0.098CC..Hα-helixtrans-61.3-48.1-180171.50000111.3F2466 L2495 L2517 V2518 K2519 M2524 D2525 A2549 L2552 L2553F2466-V2521 HydrophobicContact CE1-CG1 4.5Å; F2466-V2521 HydrophobicContact CZ-CG1 4.29Å; L2495-V2521 HydrophobicContact CD1-CB 4.41Å; L2495-V2521 HydrophobicContact CD1-CG1 4.41Å; L2495-V2521 HydrophobicContact CD1-CG2 4.49Å; L2495-V2521 HydrophobicContact CD2-CG1 4.09Å; L2517-V2521 HydrophobicContact CD1-CG2 4.39Å; L2517-V2521 VanDerWaalsContact O-CG2 3.3Å; L2517-V2521 WeakPolarHBondContact O-CG2 3.37Å; L2517-V2521 PolarHBondContact O-N 3.25Å; V2518-V2521 PolarHBondContact O-N 2.98Å; V2518-V2521 VanDerWaalsContact O-N 3.16Å; K2519-V2521 PolarHBondContact O-N 2.98Å; V2521-M2524 PolarHBondContact O-N 3.21Å; V2521-D2525 VanDerWaalsContact O-CB 3.29Å; V2521-D2525 WeakPolarHBondContact O-CB 3.37Å; V2521-D2525 PolarHBondContact O-N 3.2Å; V2521-A2549 HydrophobicContact CG2-CB 3.95Å; V2521-L2552 HydrophobicContact CG2-CD2 4.42Å; V2521-L2553 HydrophobicContact CG1-CB 4.41Å; V2521-L2553 HydrophobicContact CG1-CD1 4.08Å
2522V91.6Very high87.4Confident0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-69.2-38.2-177.9-700000112.7Y2417 Y2462 V2464 F2466 I2491 V2518 K2519 L2520 D2525 R2526Y2417-V2522 WeakPolarHBondContact OH-CG1 3.37Å; Y2462-V2522 HydrophobicContact CD1-CB 4.37Å; Y2462-V2522 HydrophobicContact CD1-CG1 3.83Å; Y2462-V2522 HydrophobicContact CD1-CG2 3.6Å; Y2462-V2522 VanDerWaalsContact CD1-CG2 3.45Å; Y2462-V2522 HydrophobicContact CE1-CG2 3.92Å; Y2462-V2522 HydrophobicContact CG-CB 4.47Å; Y2462-V2522 HydrophobicContact CG-CG1 4.31Å; Y2462-V2522 HydrophobicContact CG-CG2 3.95Å; V2464-V2522 HydrophobicContact CG1-CB 3.87Å; V2464-V2522 HydrophobicContact CG1-CG1 3.53Å; V2464-V2522 VanDerWaalsContact CG1-CG1 3.45Å; V2464-V2522 HydrophobicContact CG1-CG2 3.72Å; F2466-V2522 HydrophobicContact CZ-CG1 4.48Å; I2491-V2522 HydrophobicContact CD1-CG1 3.82Å; I2491-V2522 HydrophobicContact CD1-CG2 3.99Å; I2491-V2522 HydrophobicContact CG2-CG1 4.09Å; V2518-V2522 HydrophobicContact CG1-CG1 4.38Å; V2518-V2522 HydrophobicContact CG1-CG2 4.17Å; V2518-V2522 WeakPolarHBondContact O-CB 3.34Å; V2518-V2522 WeakPolarHBondContact O-CG1 3.44Å; V2518-V2522 VanDerWaalsContact O-CG2 3.23Å; V2518-V2522 WeakPolarHBondContact O-CG2 3.36Å; V2518-V2522 PolarHBondContact O-N 3.02Å; K2519-V2522 VanDerWaalsContact O-CG2 3.29Å; K2519-V2522 WeakPolarHBondContact O-CG2 3.18Å; K2519-V2522 PolarHBondContact O-N 2.73Å; L2520-V2522 PolarHBondContact O-N 3.47Å; V2522-D2525 WeakPolarHBondContact O-CB 3.3Å; V2522-D2525 PolarHBondContact O-N 3.02Å; V2522-R2526 PolarHBondContact O-N 2.94Å
2523R91.4Very high87.5Confident6.8 Ų6.818.4 Ų18.43%0.02610%0.096CC..Hα-helixtrans-68.9-38.4176.7-65-72.9-178.4119.3-1.9111.4C2421 D2425 E2459 K2519 L2520 R2526 A2527 I2691C2421-R2523 VanDerWaalsContact SG-CD 3.55Å; C2421-R2523 WeakPolarHBondContact SG-CD 3.37Å; C2421-R2523 PolarHBondContact SG-NH1 2.94Å; D2425-R2523 VanDerWaalsContact CG-NH1 3.33Å; D2425-R2523 IonicContact OD1-CZ 3.2Å; D2425-R2523 IonicContact OD1-NE 3.54Å; D2425-R2523 PolarHBondContact OD1-NE 2.94Å; D2425-R2523 IonicContact OD1-NH1 3.14Å; D2425-R2523 PolarHBondContact OD1-NH1 3.26Å; D2425-R2523 IonicContact OD1-NH2 2.82Å; D2425-R2523 PolarHBondContact OD1-NH2 3.5Å; D2425-R2523 VanDerWaalsContact OD2-CD 3.24Å; D2425-R2523 WeakPolarHBondContact OD2-CD 3.39Å; D2425-R2523 IonicContact OD2-CZ 3.45Å; D2425-R2523 IonicContact OD2-NE 3.2Å; D2425-R2523 IonicContact OD2-NH1 3.49Å; D2425-R2523 PolarHBondContact OD2-NH1 3.02Å; E2459-R2523 VanDerWaalsContact CD-NH2 3.29Å; E2459-R2523 IonicContact OE1-NH2 2.81Å; E2459-R2523 PolarHBondContact OE1-NH2 3.11Å; E2459-R2523 IonicContact OE2-CZ 3.96Å; E2459-R2523 IonicContact OE2-NH2 3.3Å; E2459-R2523 PolarHBondContact OE2-NH2 3.36Å; K2519-R2523 HydrophobicContact CG-CG 4.11Å; K2519-R2523 VanDerWaalsContact O-CB 3.3Å; K2519-R2523 WeakPolarHBondContact O-CB 3.31Å; K2519-R2523 WeakPolarHBondContact O-CD 3.23Å; K2519-R2523 WeakPolarHBondContact O-CG 3.41Å; K2519-R2523 PolarHBondContact O-N 3Å; L2520-R2523 PolarHBondContact O-N 3.41Å; R2523-R2526 PolarHBondContact O-N 3.38Å; R2523-A2527 WeakPolarHBondContact O-CB 3.39Å; R2523-A2527 PolarHBondContact O-N 3.09Å; R2523-A2527 VanDerWaalsContact O-N 3.09Å; R2523-I2691 HydrophobicContact CB-CD1 4.03Å
2524M92.7Very high87.6Confident0.2 Ų0.218.6 Ų18.60%0.00110%0.097CC..Hα-helixtrans-65.8-42.3172.7-74.2179.2700112.1L2520 V2521 R2526 A2527 I2528 V2536 L2538 A2549 I2550 L2553 I2664 I2691L2520-M2524 HydrophobicContact CB-CE 4.45Å; L2520-M2524 HydrophobicContact CD1-CG 3.88Å; L2520-M2524 HydrophobicContact CD1-SD 3.53Å; L2520-M2524 VanDerWaalsContact CD1-SD 3.55Å; L2520-M2524 WeakPolarHBondContact CD1-SD 3.35Å; L2520-M2524 HydrophobicContact CD2-SD 4.47Å; L2520-M2524 HydrophobicContact CG-CG 4.45Å; L2520-M2524 HydrophobicContact CG-SD 3.74Å; L2520-M2524 VanDerWaalsContact O-CB 3.28Å; L2520-M2524 WeakPolarHBondContact O-CB 3.35Å; L2520-M2524 WeakPolarHBondContact O-CE 3.43Å; L2520-M2524 WeakPolarHBondContact O-CG 3.35Å; L2520-M2524 PolarHBondContact O-N 3.16Å; V2521-M2524 PolarHBondContact O-N 3.21Å; M2524-R2526 VanDerWaalsContact C-N 3.33Å; M2524-R2526 PolarHBondContact O-N 3Å; M2524-A2527 WeakPolarHBondContact O-CA 3.45Å; M2524-A2527 WeakPolarHBondContact O-CB 3.29Å; M2524-A2527 PolarHBondContact O-N 3.21Å; M2524-A2527 VanDerWaalsContact O-N 3.08Å; M2524-I2528 WeakPolarHBondContact O-CB 3.34Å; M2524-I2528 WeakPolarHBondContact O-CG1 3.36Å; M2524-I2528 WeakPolarHBondContact O-CG2 3.47Å; M2524-I2528 PolarHBondContact O-N 3.24Å; M2524-V2536 HydrophobicContact CG-CG1 4.44Å; M2524-L2538 HydrophobicContact CE-CD1 4.24Å; M2524-L2538 HydrophobicContact CG-CD2 4.13Å; M2524-L2538 HydrophobicContact SD-CD1 3.79Å; M2524-L2538 HydrophobicContact SD-CD2 4.13Å; M2524-L2538 HydrophobicContact SD-CG 4.42Å; M2524-A2549 HydrophobicContact CE-CB 3.62Å; M2524-A2549 WeakPolarHBondContact CE-O 3.17Å; M2524-A2549 HydrophobicContact SD-CB 4.21Å; M2524-I2550 HydrophobicContact CE-CB 4.21Å; M2524-I2550 HydrophobicContact CE-CG1 3.81Å; M2524-I2550 VanDerWaalsContact CE-CG1 3.45Å; M2524-I2550 HydrophobicContact SD-CG1 4.17Å; M2524-L2553 HydrophobicContact CB-CD2 3.44Å; M2524-L2553 VanDerWaalsContact CB-CD2 3.44Å; M2524-L2553 HydrophobicContact CE-CB 3.96Å; M2524-L2553 HydrophobicContact CE-CD2 4.01Å; M2524-L2553 HydrophobicContact CE-CG 4.41Å; M2524-I2664 HydrophobicContact CE-CD1 3.87Å; M2524-I2691 HydrophobicContact CG-CD1 3.95Å
2525D92.4Very high87.8Confident0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-57.2-45.8175.3179.550000111.6V2464 S2465 F2466 V2521 V2522 A2527 I2528 H2529 L2553 L2557V2464-D2525 VanDerWaalsContact CA-OD2 3.26Å; V2464-D2525 WeakPolarHBondContact CA-OD2 3.3Å; V2464-D2525 WeakPolarHBondContact CB-OD2 3.44Å; S2465-D2525 WeakPolarHBondContact CB-OD1 3.41Å; S2465-D2525 WeakPolarHBondContact CB-OD2 3.5Å; S2465-D2525 PolarHBondContact N-OD2 3.24Å; S2465-D2525 VanDerWaalsContact OG-CG 3.28Å; S2465-D2525 PolarHBondContact OG-OD1 3.08Å; S2465-D2525 PolarHBondContact OG-OD2 3.03Å; F2466-D2525 HydrophobicContact CE1-CB 4.08Å; V2521-D2525 VanDerWaalsContact O-CB 3.29Å; V2521-D2525 WeakPolarHBondContact O-CB 3.37Å; V2521-D2525 PolarHBondContact O-N 3.2Å; V2522-D2525 WeakPolarHBondContact O-CB 3.3Å; V2522-D2525 PolarHBondContact O-N 3.02Å; D2525-A2527 VanDerWaalsContact C-N 3.29Å; D2525-A2527 PolarHBondContact O-N 3.03Å; D2525-I2528 VanDerWaalsContact O-CG1 3.26Å; D2525-I2528 WeakPolarHBondContact O-CG1 3.31Å; D2525-I2528 PolarHBondContact O-N 2.74Å; D2525-H2529 PolarHBondContact O-N 2.8Å; D2525-H2529 PolarHBondContact O-ND1 3.04Å; D2525-H2529 IonicContact OD1-CE1 3.39Å; D2525-H2529 PolarHBondContact OD1-CE1 3.2Å; D2525-H2529 IonicContact OD1-ND1 3.43Å; D2525-H2529 PolarHBondContact OD1-ND1 3.14Å; D2525-L2553 HydrophobicContact CB-CD1 3.78Å; D2525-L2553 HydrophobicContact CB-CD2 4.39Å; D2525-L2557 WeakPolarHBondContact OD1-CD1 3.29Å
2526R91.2Very high88.1Confident8.2 Ų8.215.5 Ų15.53%0.0318%0.081CC..Hα-helixtrans-60.7-36.6172.1174.2-92166.9-144.82.3112.5R2400 Y2401 Y2417 E2418 L2483 V2522 R2523 M2524R2400-R2526 VanDerWaalsContact CZ-O 3.26Å; R2400-R2526 PolarHBondContact NH1-O 3.08Å; R2400-R2526 VanDerWaalsContact NH2-NE 3.15Å; R2400-R2526 VanDerWaalsContact NH2-NH2 3.13Å; R2400-R2526 PolarHBondContact NH2-O 2.99Å; Y2401-R2526 WeakPolarHBondContact OH-CG 3.48Å; Y2417-R2526 HydrophobicContact CE1-CG 4.45Å; E2418-R2526 IonicContact OE1-CZ 3.35Å; E2418-R2526 IonicContact OE1-NE 3.13Å; E2418-R2526 PolarHBondContact OE1-NE 3.15Å; E2418-R2526 IonicContact OE1-NH2 3.32Å; E2418-R2526 PolarHBondContact OE1-NH2 2.99Å; E2418-R2526 IonicContact OE2-CZ 3.42Å; E2418-R2526 VanDerWaalsContact OE2-CZ 3.26Å; E2418-R2526 IonicContact OE2-NE 3.35Å; E2418-R2526 PolarHBondContact OE2-NE 3.09Å; E2418-R2526 IonicContact OE2-NH2 3.58Å; E2418-R2526 PolarHBondContact OE2-NH2 3.31Å; E2418-R2526 VanDerWaalsContact OE2-NH2 3.1Å; L2483-R2526 HydrophobicContact CD1-CB 4.17Å; L2483-R2526 HydrophobicContact CD1-CG 3.94Å; V2522-R2526 PolarHBondContact O-N 2.94Å; R2523-R2526 PolarHBondContact O-N 3.38Å; M2524-R2526 VanDerWaalsContact C-N 3.33Å; M2524-R2526 PolarHBondContact O-N 3Å
2527A90.9Very high88.3Confident0 Ų014.8 Ų14.80%08%0.077CC..Hα-helixtrans-74-45.8-176.800000112.6R2523 M2524 D2525 H2529 S2530 N2534 V2536 T2689R2523-A2527 WeakPolarHBondContact O-CB 3.39Å; R2523-A2527 PolarHBondContact O-N 3.09Å; R2523-A2527 VanDerWaalsContact O-N 3.09Å; M2524-A2527 WeakPolarHBondContact O-CA 3.45Å; M2524-A2527 WeakPolarHBondContact O-CB 3.29Å; M2524-A2527 PolarHBondContact O-N 3.21Å; M2524-A2527 VanDerWaalsContact O-N 3.08Å; D2525-A2527 VanDerWaalsContact C-N 3.29Å; D2525-A2527 PolarHBondContact O-N 3.03Å; A2527-H2529 VanDerWaalsContact C-N 3.3Å; A2527-H2529 PolarHBondContact O-N 3.15Å; A2527-H2529 VanDerWaalsContact O-N 3.15Å; A2527-S2530 VanDerWaalsContact O-CB 3.28Å; A2527-S2530 WeakPolarHBondContact O-CB 3.36Å; A2527-S2530 PolarHBondContact O-N 3.06Å; A2527-S2530 VanDerWaalsContact O-N 3.08Å; A2527-N2534 WeakPolarHBondContact O-CA 3.37Å; A2527-V2536 HydrophobicContact CB-CG2 3.66Å; A2527-T2689 HydrophobicContact CB-CG2 3.89Å
2528I89.4Confident88.4Confident5.2 Ų5.214.5 Ų14.53%0.0278%0.076CC..Hα-helixtrans-65.4-24.3-176.319.5177.6000113.7M2524 D2525 S2530 N2534 V2536 L2553 L2557 L2559 R2662 I2664M2524-I2528 WeakPolarHBondContact O-CB 3.34Å; M2524-I2528 WeakPolarHBondContact O-CG1 3.36Å; M2524-I2528 WeakPolarHBondContact O-CG2 3.47Å; M2524-I2528 PolarHBondContact O-N 3.24Å; D2525-I2528 VanDerWaalsContact O-CG1 3.26Å; D2525-I2528 WeakPolarHBondContact O-CG1 3.31Å; D2525-I2528 PolarHBondContact O-N 2.74Å; I2528-S2530 VanDerWaalsContact C-N 3.3Å; I2528-S2530 PolarHBondContact O-N 3.29Å; I2528-N2534 WeakPolarHBondContact CA-O 3.35Å; I2528-N2534 WeakPolarHBondContact O-CB 3.48Å; I2528-V2536 HydrophobicContact CG1-CG2 4.45Å; I2528-V2536 HydrophobicContact CG2-CG2 4.19Å; I2528-L2553 HydrophobicContact CD1-CD1 4.48Å; I2528-L2553 HydrophobicContact CD1-CD2 3.77Å; I2528-L2553 HydrophobicContact CD1-CG 4.25Å; I2528-L2557 HydrophobicContact CD1-CD1 3.16Å; I2528-L2557 HydrophobicContact CG1-CD1 4.37Å; I2528-L2557 HydrophobicContact CG2-CD1 4.39Å; I2528-L2559 HydrophobicContact CD1-CD1 4.22Å; I2528-L2559 HydrophobicContact CG2-CD1 3.97Å; I2528-R2662 HydrophobicContact CB-CG 4.11Å; I2528-R2662 HydrophobicContact CG1-CB 4.5Å; I2528-R2662 HydrophobicContact CG1-CG 4.39Å; I2528-R2662 HydrophobicContact CG2-CB 4.44Å; I2528-R2662 HydrophobicContact CG2-CG 4.18Å; I2528-R2662 WeakPolarHBondContact O-CD 3.48Å; I2528-R2662 PolarHBondContact O-NE 3.47Å; I2528-I2664 HydrophobicContact CD1-CD1 4.27Å
2529H84.7Confident88.3Confident41.4 Ų41.414.7 Ų14.719%0.1928%0.077CC..THydrogen-bonded Turntrans-90.49.6175.5-65.1104.8000113.4R2400 S2465 V2481 D2525 A2527 L2557R2400-H2529 PolarHBondContact NE-O 3.38Å; R2400-H2529 PolarHBondContact NH1-O 3.06Å; R2400-H2529 VanDerWaalsContact NH1-O 3.15Å; R2400-H2529 VanDerWaalsContact NH2-CB 3.28Å; R2400-H2529 PolarHBondContact NH2-O 2.74Å; S2465-H2529 PolarHBondContact OG-CE1 3.2Å; S2465-H2529 VanDerWaalsContact OG-CE1 3.29Å; V2481-H2529 VanDerWaalsContact CG1-CD2 3.49Å; V2481-H2529 WeakPolarHBondContact CG1-CD2 3.48Å; V2481-H2529 VanDerWaalsContact CG2-CD2 3.47Å; V2481-H2529 WeakPolarHBondContact CG2-CD2 3.06Å; D2525-H2529 PolarHBondContact O-N 2.8Å; D2525-H2529 PolarHBondContact O-ND1 3.04Å; D2525-H2529 IonicContact OD1-CE1 3.39Å; D2525-H2529 PolarHBondContact OD1-CE1 3.2Å; D2525-H2529 IonicContact OD1-ND1 3.43Å; D2525-H2529 PolarHBondContact OD1-ND1 3.14Å; A2527-H2529 VanDerWaalsContact C-N 3.3Å; A2527-H2529 PolarHBondContact O-N 3.15Å; A2527-H2529 VanDerWaalsContact O-N 3.15Å; H2529-L2557 VanDerWaalsContact CE1-CD1 3.42Å; H2529-L2557 WeakPolarHBondContact CE1-CD1 3.47Å
2530S83Confident88.2Confident11.8 Ų11.812.3 Ų12.38%0.0837%0.066CC..  trans-78.2129.4175-177.80000111.2A2527 I2528 Y2532 K2533 N2534A2527-S2530 VanDerWaalsContact O-CB 3.28Å; A2527-S2530 WeakPolarHBondContact O-CB 3.36Å; A2527-S2530 PolarHBondContact O-N 3.06Å; A2527-S2530 VanDerWaalsContact O-N 3.08Å; I2528-S2530 VanDerWaalsContact C-N 3.3Å; I2528-S2530 PolarHBondContact O-N 3.29Å; S2530-Y2532 VanDerWaalsContact C-N 3.26Å; S2530-Y2532 VanDerWaalsContact CB-O 3.22Å; S2530-Y2532 WeakPolarHBondContact CB-O 3.43Å; S2530-Y2532 PolarHBondContact O-N 3.16Å; S2530-Y2532 PolarHBondContact OG-N 3.04Å; S2530-Y2532 PolarHBondContact OG-O 3.35Å; S2530-K2533 WeakPolarHBondContact CB-O 3.38Å; S2530-K2533 PolarHBondContact OG-N 3.29Å; S2530-K2533 VanDerWaalsContact OG-N 3.13Å; S2530-N2534 VanDerWaalsContact O-CB 3.3Å; S2530-N2534 WeakPolarHBondContact O-CB 3.33Å; S2530-N2534 PolarHBondContact O-N 3.12Å
2531S72.5Confident87.9Confident78.2 Ų78.212.9 Ų12.955%0.5477%0.07SC..SBendtrans-67.6-21.5177.2-48.70000113.6
2532Y73.5Confident87.5Confident49.4 Ų49.414.7 Ų14.719%0.1948%0.083CC..SBendtrans-112.8-29-176.3-55.7-73.5000113V2286 A2289 V2292 L2396 S2530 N2534V2286-Y2532 WeakPolarHBondContact CG1-OH 3.37Å; V2286-Y2532 PolarHBondContact O-OH 3.06Å; A2289-Y2532 HydrophobicContact CB-CE1 4.33Å; A2289-Y2532 VanDerWaalsContact O-CE1 3.32Å; A2289-Y2532 WeakPolarHBondContact O-CE1 3.39Å; V2292-Y2532 HydrophobicContact CG2-CD1 3.66Å; V2292-Y2532 HydrophobicContact CG2-CD2 4.27Å; V2292-Y2532 HydrophobicContact CG2-CE1 3.5Å; V2292-Y2532 HydrophobicContact CG2-CG 3.94Å; L2396-Y2532 HydrophobicContact CB-CE2 4.17Å; L2396-Y2532 HydrophobicContact CD1-CD2 4.37Å; L2396-Y2532 HydrophobicContact CD1-CE1 4.49Å; L2396-Y2532 HydrophobicContact CD1-CE2 3.58Å; L2396-Y2532 VanDerWaalsContact CD1-CE2 3.45Å; L2396-Y2532 WeakPolarHBondContact CD1-OH 3.47Å; L2396-Y2532 HydrophobicContact CG-CE2 4.47Å; S2530-Y2532 VanDerWaalsContact C-N 3.26Å; S2530-Y2532 VanDerWaalsContact CB-O 3.22Å; S2530-Y2532 WeakPolarHBondContact CB-O 3.43Å; S2530-Y2532 PolarHBondContact O-N 3.16Å; S2530-Y2532 PolarHBondContact OG-N 3.04Å; S2530-Y2532 PolarHBondContact OG-O 3.35Å; Y2532-N2534 VanDerWaalsContact C-N 3.32Å; Y2532-N2534 PolarHBondContact O-N 3.17Å
2533K81.6Confident87.1Confident16.8 Ų16.816.1 Ų16.17%0.07310%0.098CC..  trans-139.460.5-177.1-59.4-169.8-175.6-1690111.4D2390 S2530 S2535 R2686 E2687 T2689D2390-K2533 IonicContact OD1-NZ 3.3Å; D2390-K2533 PolarHBondContact OD1-NZ 3.14Å; S2530-K2533 WeakPolarHBondContact CB-O 3.38Å; S2530-K2533 PolarHBondContact OG-N 3.29Å; S2530-K2533 VanDerWaalsContact OG-N 3.13Å; K2533-S2535 VanDerWaalsContact C-N 3.26Å; K2533-S2535 PolarHBondContact O-N 3.27Å; K2533-R2686 WeakPolarHBondContact CD-O 3.09Å; K2533-R2686 WeakPolarHBondContact CE-O 3.38Å; K2533-R2686 PolarHBondContact NZ-O 3.07Å; K2533-E2687 WeakPolarHBondContact CA-O 3.34Å; K2533-E2687 WeakPolarHBondContact CB-O 3.41Å; K2533-E2687 WeakPolarHBondContact CG-O 3.39Å; K2533-T2689 PolarHBondContact O-OG1 3.19Å
2534N86.6Confident86.8Confident27.8 Ų27.816.1 Ų16.115%0.14910%0.098CC..  trans-75.5-8.8-178.666.411.7000114.6A2527 I2528 S2530 Y2532 K2658 L2661 R2662A2527-N2534 WeakPolarHBondContact O-CA 3.37Å; I2528-N2534 WeakPolarHBondContact CA-O 3.35Å; I2528-N2534 WeakPolarHBondContact O-CB 3.48Å; S2530-N2534 VanDerWaalsContact O-CB 3.3Å; S2530-N2534 WeakPolarHBondContact O-CB 3.33Å; S2530-N2534 PolarHBondContact O-N 3.12Å; Y2532-N2534 VanDerWaalsContact C-N 3.32Å; Y2532-N2534 PolarHBondContact O-N 3.17Å; N2534-K2658 PolarHBondContact ND2-O 3.06Å; N2534-L2661 PolarHBondContact ND2-O 3.36Å; N2534-L2661 PolarHBondContact OD1-O 2.81Å; N2534-R2662 HydrophobicContact CB-CG 4.28Å; N2534-R2662 PolarHBondContact ND2-NH1 2.85Å; N2534-R2662 VanDerWaalsContact O-CD 3.27Å; N2534-R2662 WeakPolarHBondContact O-CD 3.49Å
2535S92.3Very high86.4Confident4.6 Ų4.617 Ų173%0.03211%0.107CC..  trans-98.2151.2-179.7-66.40000109.9K2533 L2615 L2663 C2688 T2689K2533-S2535 VanDerWaalsContact C-N 3.26Å; K2533-S2535 PolarHBondContact O-N 3.27Å; S2535-L2615 VanDerWaalsContact OG-CD2 3.31Å; S2535-L2615 WeakPolarHBondContact OG-CD2 3.36Å; S2535-L2663 CarbonylContact C-O 3.58Å; S2535-L2663 VanDerWaalsContact CA-O 3.25Å; S2535-L2663 WeakPolarHBondContact CA-O 3.32Å; S2535-L2663 WeakPolarHBondContact CB-O 3.4Å; S2535-L2663 PolarHBondContact OG-N 3.2Å; S2535-L2663 VanDerWaalsContact OG-N 3.09Å; S2535-C2688 VanDerWaalsContact CB-SG 3.59Å; S2535-C2688 CarbonylContact O-C 3.44Å; S2535-C2688 VanDerWaalsContact O-CA 3.28Å; S2535-C2688 WeakPolarHBondContact O-CA 3.32Å; S2535-C2688 WeakPolarHBondContact O-CB 3.39Å; S2535-T2689 PolarHBondContact O-N 2.99Å
2536V93.5Very high86.4Confident0 Ų017.8 Ų17.80%011%0.11CC..EExtended strand (participates in β ladder)trans-127.9139.3-166.3-175.40000110.6M2524 A2527 I2528 L2538 L2663 I2664 L2665 T2689 I2691M2524-V2536 HydrophobicContact CG-CG1 4.44Å; A2527-V2536 HydrophobicContact CB-CG2 3.66Å; I2528-V2536 HydrophobicContact CG1-CG2 4.45Å; I2528-V2536 HydrophobicContact CG2-CG2 4.19Å; V2536-L2538 HydrophobicContact CG1-CD2 3.53Å; V2536-L2538 HydrophobicContact CG1-CG 4.02Å; V2536-L2663 PolarHBondContact N-O 3.29Å; V2536-I2664 HydrophobicContact CB-CG1 4.27Å; V2536-I2664 HydrophobicContact CB-CG2 4.33Å; V2536-I2664 CarbonylContact O-C 3.55Å; V2536-I2664 VanDerWaalsContact O-CA 3.28Å; V2536-I2664 WeakPolarHBondContact O-CA 3.34Å; V2536-L2665 PolarHBondContact O-N 3.16Å; V2536-T2689 CarbonylContact C-O 3.54Å; V2536-T2689 VanDerWaalsContact CA-O 3.3Å; V2536-T2689 WeakPolarHBondContact CA-O 3.45Å; V2536-T2689 WeakPolarHBondContact CG1-O 3.45Å; V2536-I2691 HydrophobicContact CG1-CD1 3.78Å; V2536-I2691 HydrophobicContact CG1-CG1 4.09Å
2537V92.1Very high86.3Confident0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-114.2117.1167.6-175.80000108.4I2539 L2665 L2667 F2685 C2688 T2689 V2690 I2691V2537-I2539 HydrophobicContact CG1-CD1 4.18Å; V2537-I2539 HydrophobicContact CG1-CG1 3.82Å; V2537-L2665 CarbonylContact C-O 3.51Å; V2537-L2665 WeakPolarHBondContact CA-O 3.31Å; V2537-L2665 HydrophobicContact CB-CB 4.43Å; V2537-L2665 HydrophobicContact CG1-CB 4.2Å; V2537-L2665 HydrophobicContact CG2-CB 4.18Å; V2537-L2665 HydrophobicContact CG2-CD1 4.06Å; V2537-L2665 HydrophobicContact CG2-CG 4.41Å; V2537-L2667 HydrophobicContact CG1-CD1 3.71Å; V2537-L2667 HydrophobicContact CG1-CG 4.32Å; V2537-F2685 HydrophobicContact CB-CD1 4.47Å; V2537-F2685 HydrophobicContact CG1-CD1 3.98Å; V2537-F2685 HydrophobicContact CG1-CE1 3.86Å; V2537-F2685 HydrophobicContact CG2-CD1 4.35Å; V2537-C2688 HydrophobicContact CG2-CB 3.57Å; V2537-T2689 PolarHBondContact N-O 3.06Å; V2537-V2690 HydrophobicContact CB-CG1 4.5Å; V2537-V2690 HydrophobicContact CB-CG2 4.22Å; V2537-V2690 HydrophobicContact CG2-CG2 4.39Å; V2537-V2690 CarbonylContact O-C 3.53Å; V2537-V2690 WeakPolarHBondContact O-CA 3.34Å; V2537-I2691 PolarHBondContact O-N 3.26Å
2538L92.7Very high86.2Confident0.4 Ų0.422.6 Ų22.60%0.00213%0.132CC..EExtended strand (participates in β ladder)trans-100.5106.6178.5-59.1-177.7000110.2L2520 M2524 V2536 R2546 I2550 I2664 L2665 V2666 L2667 I2691L2520-L2538 HydrophobicContact CD1-CD1 4.29Å; L2520-L2538 HydrophobicContact CD1-CD2 3.67Å; L2520-L2538 HydrophobicContact CD2-CD2 4.28Å; M2524-L2538 HydrophobicContact CE-CD1 4.24Å; M2524-L2538 HydrophobicContact CG-CD2 4.13Å; M2524-L2538 HydrophobicContact SD-CD1 3.79Å; M2524-L2538 HydrophobicContact SD-CD2 4.13Å; M2524-L2538 HydrophobicContact SD-CG 4.42Å; V2536-L2538 HydrophobicContact CG1-CD2 3.53Å; V2536-L2538 HydrophobicContact CG1-CG 4.02Å; L2538-R2546 HydrophobicContact CB-CG 4.28Å; L2538-R2546 HydrophobicContact CD1-CB 4.01Å; L2538-R2546 HydrophobicContact CD1-CG 4.28Å; L2538-R2546 PolarHBondContact O-NH1 3.16Å; L2538-I2550 HydrophobicContact CD1-CD1 3.91Å; L2538-I2550 HydrophobicContact CD1-CG1 4.01Å; L2538-I2664 HydrophobicContact CD1-CG2 4.05Å; L2538-I2664 HydrophobicContact CG-CG2 4.16Å; L2538-L2665 PolarHBondContact N-O 3.33Å; L2538-V2666 HydrophobicContact CD1-CG2 4.43Å; L2538-L2667 PolarHBondContact O-N 3.25Å; L2538-L2667 VanDerWaalsContact O-N 3.07Å; L2538-I2691 WeakPolarHBondContact CA-O 3.37Å; L2538-I2691 HydrophobicContact CD2-CB 3.91Å; L2538-I2691 HydrophobicContact CD2-CD1 4Å; L2538-I2691 HydrophobicContact CD2-CG1 4.27Å; L2538-I2691 HydrophobicContact CD2-CG2 4.49Å
2539I88.6Confident86.3Confident4.6 Ų4.622.4 Ų22.42%0.02413%0.131CC..EExtended strand (participates in β ladder)trans-104.3132.5-179.6-53.4-179.2000109.1N2383 V2537 L2667 V2669 L2674 F2685 V2690 I2691 S2692 F2693N2383-I2539 VanDerWaalsContact ND2-CD1 3.27Å; N2383-I2539 WeakPolarHBondContact ND2-CD1 3.45Å; V2537-I2539 HydrophobicContact CG1-CD1 4.18Å; V2537-I2539 HydrophobicContact CG1-CG1 3.82Å; I2539-L2667 WeakPolarHBondContact CA-O 3.38Å; I2539-V2669 HydrophobicContact CG2-CG1 3.68Å; I2539-V2669 HydrophobicContact CG2-CG2 3.64Å; I2539-L2674 HydrophobicContact CG2-CD2 4.09Å; I2539-F2685 HydrophobicContact CD1-CD1 4.46Å; I2539-F2685 HydrophobicContact CD1-CE1 4.24Å; I2539-V2690 HydrophobicContact CD1-CG1 3.71Å; I2539-V2690 HydrophobicContact CG1-CG1 4.27Å; I2539-I2691 PolarHBondContact N-O 3Å; I2539-S2692 CarbonylContact O-C 3.22Å; I2539-S2692 WeakPolarHBondContact O-CA 3.33Å; I2539-F2693 PolarHBondContact O-N 3.01Å
2540G87.2Confident86.7Confident0.4 Ų0.420.5 Ų20.50%0.00412%0.122CC..EExtended strand (participates in β ladder)trans164.5172174.800000112.9R2546 L2667 D2668 V2669 F2693G2540-R2546 PolarHBondContact O-NH1 3.11Å; G2540-R2546 PolarHBondContact O-NH2 3.09Å; G2540-L2667 PolarHBondContact N-O 3.13Å; G2540-D2668 WeakPolarHBondContact O-CA 3.28Å; G2540-V2669 PolarHBondContact O-N 3.12Å; G2540-F2693 WeakPolarHBondContact CA-O 3.25Å
2541P85.6Confident87Confident14 Ų1420.6 Ų20.69%0.09112%0.123CC..  trans-65.8158.9177.324.6-35000113.6G2543 L2544 R2546 V2669 F2693 D2694 V2748P2541-G2543 PolarHBondContact O-N 3.05Å; P2541-L2544 VanDerWaalsContact CD-CD1 3.5Å; P2541-L2544 HydrophobicContact CG-CD1 3.93Å; P2541-L2544 HydrophobicContact CG-CG 4.15Å; P2541-L2544 WeakPolarHBondContact O-CD1 3.35Å; P2541-L2544 WeakPolarHBondContact O-CG 3.36Å; P2541-R2546 PolarHBondContact O-NH2 3.37Å; P2541-R2546 VanDerWaalsContact O-NH2 3.07Å; P2541-V2669 HydrophobicContact CB-CG2 4.13Å; P2541-F2693 VanDerWaalsContact CD-O 3.31Å; P2541-F2693 WeakPolarHBondContact CD-O 3.43Å; P2541-D2694 VanDerWaalsContact CD-O 3.28Å; P2541-D2694 WeakPolarHBondContact CD-O 3.42Å; P2541-D2694 WeakPolarHBondContact CG-O 3.34Å; P2541-V2748 HydrophobicContact CB-CB 4.44Å; P2541-V2748 HydrophobicContact CB-CG1 4.36Å; P2541-V2748 HydrophobicContact CB-CG2 4.23Å
2542S84.5Confident87.8Confident39 Ų3916.9 Ų16.927%0.27310%0.097SC..THydrogen-bonded Turntrans-58.4134175.6-84.80000113D2668 V2748 P2749 R2750S2542-D2668 VanDerWaalsContact CA-OD2 3.3Å; S2542-D2668 WeakPolarHBondContact CA-OD2 3.41Å; S2542-D2668 VanDerWaalsContact CB-OD2 3.26Å; S2542-D2668 WeakPolarHBondContact CB-OD2 3.33Å; S2542-D2668 PolarHBondContact N-OD2 3.26Å; S2542-D2668 PolarHBondContact OG-OD2 3.09Å; S2542-V2748 VanDerWaalsContact O-CG1 3.22Å; S2542-V2748 WeakPolarHBondContact O-CG1 3.31Å; S2542-P2749 WeakPolarHBondContact O-CD 3.27Å; S2542-R2750 WeakPolarHBondContact O-CB 3.43Å; S2542-R2750 PolarHBondContact O-N 3.16Å; S2542-R2750 VanDerWaalsContact O-N 3.12Å
2543G82Confident88.6Confident29.4 Ų29.414.7 Ų14.730%0.3039%0.089SC..THydrogen-bonded Turntrans92.92.3174.200000116.2P2541 G2545 W2696P2541-G2543 PolarHBondContact O-N 3.05Å; G2543-G2545 PolarHBondContact O-N 3.08Å; G2543-W2696 WeakPolarHBondContact O-CZ2 3.45Å
2544L85.5Confident89Confident6.8 Ų6.814 Ų144%0.0369%0.086CC..SBendtrans-60.5-8.3173.5-78.2169.6000115P2541 R2546 F2693 W2696 P2749P2541-L2544 VanDerWaalsContact CD-CD1 3.5Å; P2541-L2544 HydrophobicContact CG-CD1 3.93Å; P2541-L2544 HydrophobicContact CG-CG 4.15Å; P2541-L2544 WeakPolarHBondContact O-CD1 3.35Å; P2541-L2544 WeakPolarHBondContact O-CG 3.36Å; L2544-R2546 HydrophobicContact CB-CG 4.31Å; L2544-F2693 HydrophobicContact CD1-CB 3.62Å; L2544-F2693 WeakPolarHBondContact CD1-O 3.44Å; L2544-F2693 HydrophobicContact CD2-CB 4.41Å; L2544-W2696 VanDerWaalsContact CD2-CD1 3.45Å; L2544-W2696 HydrophobicContact CD2-CG 4.36Å; L2544-P2749 HydrophobicContact CD2-CG 3.85Å; L2544-P2749 HydrophobicContact CG-CG 4.15Å
2545G85.7Confident89Confident18.2 Ų18.214.4 Ų14.419%0.1889%0.086CC..SBendtrans87.316.5-17500000114.2G2543 R2547 T2548 A2549G2543-G2545 PolarHBondContact O-N 3.08Å; G2545-R2547 PolarHBondContact O-N 3.07Å; G2545-T2548 CarbonylContact O-C 3.54Å; G2545-T2548 WeakPolarHBondContact O-CA 3.46Å; G2545-T2548 VanDerWaalsContact O-CB 3.26Å; G2545-T2548 WeakPolarHBondContact O-CB 3.33Å; G2545-T2548 PolarHBondContact O-N 3.09Å; G2545-A2549 VanDerWaalsContact O-CB 3.27Å; G2545-A2549 WeakPolarHBondContact O-CB 3.4Å; G2545-A2549 PolarHBondContact O-N 3.09Å
2546R91.4Very high88.7Confident16.8 Ų16.814.6 Ų14.66%0.0639%0.087CC..Hα-helixtrans-55.4-53.8-178.7-69.9175.8-71.5160.3-1.5113.5L2520 L2538 G2540 P2541 L2544 T2548 A2549 I2550 V2666 L2667 D2668L2520-R2546 HydrophobicContact CD1-CG 4.43Å; L2520-R2546 HydrophobicContact CD2-CB 4.44Å; L2520-R2546 HydrophobicContact CD2-CG 4.16Å; L2538-R2546 HydrophobicContact CB-CG 4.28Å; L2538-R2546 HydrophobicContact CD1-CB 4.01Å; L2538-R2546 HydrophobicContact CD1-CG 4.28Å; L2538-R2546 PolarHBondContact O-NH1 3.16Å; G2540-R2546 PolarHBondContact O-NH1 3.11Å; G2540-R2546 PolarHBondContact O-NH2 3.09Å; P2541-R2546 PolarHBondContact O-NH2 3.37Å; P2541-R2546 VanDerWaalsContact O-NH2 3.07Å; L2544-R2546 HydrophobicContact CB-CG 4.31Å; R2546-T2548 VanDerWaalsContact C-N 3.29Å; R2546-T2548 PolarHBondContact O-N 3.12Å; R2546-A2549 PolarHBondContact O-N 3.07Å; R2546-I2550 VanDerWaalsContact O-CG1 3.29Å; R2546-I2550 WeakPolarHBondContact O-CG1 3.4Å; R2546-I2550 PolarHBondContact O-N 3.19Å; R2546-I2550 VanDerWaalsContact O-N 3.14Å; R2546-V2666 HydrophobicContact CB-CG1 4.13Å; R2546-L2667 VanDerWaalsContact NH1-C 3.31Å; R2546-L2667 PolarHBondContact NH1-O 3.01Å; R2546-D2668 IonicContact NH2-OD2 3.29Å
2547R89.2Confident88.4Confident76.6 Ų76.616 Ų1629%0.2899%0.094SC..Hα-helixtrans-60.4-41.3176.9-172.4160.9-179.2115.75.1111.9G2545 A2549 I2550 S2551 S2563 I2596 E2598G2545-R2547 PolarHBondContact O-N 3.07Å; R2547-A2549 PolarHBondContact O-N 3.13Å; R2547-I2550 WeakPolarHBondContact O-CB 3.42Å; R2547-I2550 PolarHBondContact O-N 3.3Å; R2547-S2551 PolarHBondContact O-N 3.19Å; R2547-S2551 PolarHBondContact O-OG 3.08Å; R2547-S2563 PolarHBondContact NH1-OG 3.22Å; R2547-S2563 VanDerWaalsContact NH1-OG 3.1Å; R2547-S2563 PolarHBondContact NH2-OG 3.04Å; R2547-S2563 VanDerWaalsContact NH2-OG 3.12Å; R2547-I2596 VanDerWaalsContact NH1-CG2 3.26Å; R2547-E2598 VanDerWaalsContact CD-OE1 3.31Å; R2547-E2598 WeakPolarHBondContact CD-OE1 3.39Å; R2547-E2598 IonicContact CZ-OE1 2.66Å; R2547-E2598 IonicContact CZ-OE2 3.49Å; R2547-E2598 IonicContact NE-OE1 3.37Å; R2547-E2598 IonicContact NE-OE2 2.77Å; R2547-E2598 IonicContact NH1-OE1 3.41Å; R2547-E2598 PolarHBondContact NH1-OE1 3.16Å; R2547-E2598 IonicContact NH1-OE2 3.31Å; R2547-E2598 PolarHBondContact NH1-OE2 3.19Å
2548T87.9Confident88Confident34.2 Ų34.221.8 Ų21.821%0.2112%0.121CC..Hα-helixtrans-60.5-46.3176.3-53.50000112.2L2509 I2511 L2517 G2545 R2546 I2550 S2551 L2552L2509-T2548 HydrophobicContact CB-CG2 4.2Å; L2509-T2548 HydrophobicContact CD1-CG2 3.89Å; L2509-T2548 HydrophobicContact CD2-CG2 4.24Å; L2509-T2548 HydrophobicContact CG-CG2 4.25Å; I2511-T2548 HydrophobicContact CB-CG2 4.46Å; I2511-T2548 HydrophobicContact CD1-CG2 3.19Å; I2511-T2548 VanDerWaalsContact CD1-CG2 3.49Å; I2511-T2548 WeakPolarHBondContact CD1-OG1 3.38Å; I2511-T2548 HydrophobicContact CG1-CG2 3.51Å; I2511-T2548 VanDerWaalsContact CG1-CG2 3.47Å; I2511-T2548 HydrophobicContact CG2-CG2 4.23Å; L2517-T2548 HydrophobicContact CD1-CG2 4.46Å; G2545-T2548 CarbonylContact O-C 3.54Å; G2545-T2548 WeakPolarHBondContact O-CA 3.46Å; G2545-T2548 VanDerWaalsContact O-CB 3.26Å; G2545-T2548 WeakPolarHBondContact O-CB 3.33Å; G2545-T2548 PolarHBondContact O-N 3.09Å; R2546-T2548 VanDerWaalsContact C-N 3.29Å; R2546-T2548 PolarHBondContact O-N 3.12Å; T2548-I2550 VanDerWaalsContact C-N 3.33Å; T2548-I2550 PolarHBondContact O-N 3.1Å; T2548-S2551 PolarHBondContact O-N 3.08Å; T2548-L2552 HydrophobicContact CG2-CD1 4.43Å; T2548-L2552 VanDerWaalsContact O-CB 3.32Å; T2548-L2552 WeakPolarHBondContact O-CB 3.33Å; T2548-L2552 WeakPolarHBondContact O-CG 3.1Å; T2548-L2552 PolarHBondContact O-N 3.15Å
2549A91.8Very high87.8Confident0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-62.1-39.8177.400000111.4L2517 L2520 V2521 M2524 G2545 R2546 R2547 L2552 L2553L2517-A2549 HydrophobicContact CD1-CB 3.79Å; L2520-A2549 HydrophobicContact CB-CB 4.28Å; L2520-A2549 HydrophobicContact CD2-CB 3.43Å; L2520-A2549 VanDerWaalsContact CD2-CB 3.43Å; L2520-A2549 HydrophobicContact CG-CB 3.65Å; V2521-A2549 HydrophobicContact CG2-CB 3.95Å; M2524-A2549 HydrophobicContact CE-CB 3.62Å; M2524-A2549 WeakPolarHBondContact CE-O 3.17Å; M2524-A2549 HydrophobicContact SD-CB 4.21Å; G2545-A2549 VanDerWaalsContact O-CB 3.27Å; G2545-A2549 WeakPolarHBondContact O-CB 3.4Å; G2545-A2549 PolarHBondContact O-N 3.09Å; R2546-A2549 PolarHBondContact O-N 3.07Å; R2547-A2549 PolarHBondContact O-N 3.13Å; A2549-L2552 PolarHBondContact O-N 3.21Å; A2549-L2553 WeakPolarHBondContact O-CB 3.36Å; A2549-L2553 PolarHBondContact O-N 3.06Å
2550I93Very high87.9Confident1.6 Ų1.628.7 Ų28.71%0.00815%0.149CC..Hα-helixtrans-61.9-50.3174.3-61162.1000110.6M2524 L2538 R2546 R2547 T2548 L2552 L2553 A2554 V2594 I2596 I2664 V2666M2524-I2550 HydrophobicContact CE-CB 4.21Å; M2524-I2550 HydrophobicContact CE-CG1 3.81Å; M2524-I2550 VanDerWaalsContact CE-CG1 3.45Å; M2524-I2550 HydrophobicContact SD-CG1 4.17Å; L2538-I2550 HydrophobicContact CD1-CD1 3.91Å; L2538-I2550 HydrophobicContact CD1-CG1 4.01Å; R2546-I2550 VanDerWaalsContact O-CG1 3.29Å; R2546-I2550 WeakPolarHBondContact O-CG1 3.4Å; R2546-I2550 PolarHBondContact O-N 3.19Å; R2546-I2550 VanDerWaalsContact O-N 3.14Å; R2547-I2550 WeakPolarHBondContact O-CB 3.42Å; R2547-I2550 PolarHBondContact O-N 3.3Å; T2548-I2550 VanDerWaalsContact C-N 3.33Å; T2548-I2550 PolarHBondContact O-N 3.1Å; I2550-L2552 VanDerWaalsContact C-N 3.32Å; I2550-L2552 PolarHBondContact O-N 3.15Å; I2550-L2553 PolarHBondContact O-N 3.13Å; I2550-A2554 VanDerWaalsContact O-CB 3.25Å; I2550-A2554 WeakPolarHBondContact O-CB 3.39Å; I2550-A2554 PolarHBondContact O-N 3.15Å; I2550-V2594 HydrophobicContact CG2-CG1 3.92Å; I2550-I2596 HydrophobicContact CB-CD1 4.21Å; I2550-I2596 HydrophobicContact CD1-CD1 4.41Å; I2550-I2596 HydrophobicContact CD1-CG1 4.45Å; I2550-I2596 HydrophobicContact CD1-CG2 4.24Å; I2550-I2596 HydrophobicContact CG2-CD1 3.47Å; I2550-I2596 VanDerWaalsContact CG2-CD1 3.44Å; I2550-I2596 HydrophobicContact CG2-CG1 3.9Å; I2550-I2664 HydrophobicContact CD1-CB 4.31Å; I2550-I2664 HydrophobicContact CD1-CD1 4.43Å; I2550-I2664 HydrophobicContact CD1-CG2 3.54Å; I2550-I2664 HydrophobicContact CG1-CD1 4.08Å; I2550-I2664 HydrophobicContact CG1-CG2 4.1Å; I2550-I2664 HydrophobicContact CG2-CD1 3.88Å; I2550-V2666 HydrophobicContact CD1-CG2 3.73Å
2551S89.3Confident88Confident14 Ų1431.7 Ų31.710%0.09817%0.167CC..Hα-helixtrans-60.4-42.8179.8-63.90000112.2R2547 T2548 Y2555R2547-S2551 PolarHBondContact O-N 3.19Å; R2547-S2551 PolarHBondContact O-OG 3.08Å; T2548-S2551 PolarHBondContact O-N 3.08Å; S2551-Y2555 VanDerWaalsContact O-CB 3.3Å; S2551-Y2555 WeakPolarHBondContact O-CB 3.34Å; S2551-Y2555 PolarHBondContact O-N 3.01Å
2552L89.1Confident88.3Confident0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-66.8-45.8178.5-159.177.4000111.6L2495 A2498 I2499 L2509 I2511 V2521 T2548 A2549 I2550 Y2555 V2556L2495-L2552 HydrophobicContact CB-CD2 4.29Å; L2495-L2552 HydrophobicContact CD1-CD2 4.36Å; L2495-L2552 HydrophobicContact CD2-CD2 3.86Å; L2495-L2552 HydrophobicContact CD2-CG 4.22Å; L2495-L2552 HydrophobicContact CG-CD2 4.34Å; A2498-L2552 HydrophobicContact CB-CD1 3.89Å; I2499-L2552 HydrophobicContact CD1-CD1 4.39Å; I2499-L2552 HydrophobicContact CD1-CD2 4.17Å; I2499-L2552 HydrophobicContact CG1-CD1 3.78Å; I2499-L2552 HydrophobicContact CG1-CD2 3.98Å; I2499-L2552 HydrophobicContact CG1-CG 4.46Å; L2509-L2552 HydrophobicContact CD1-CD2 4.12Å; I2511-L2552 HydrophobicContact CD1-CD1 3.85Å; I2511-L2552 HydrophobicContact CD1-CD2 4.43Å; I2511-L2552 HydrophobicContact CD1-CG 4.31Å; V2521-L2552 HydrophobicContact CG2-CD2 4.42Å; T2548-L2552 HydrophobicContact CG2-CD1 4.43Å; T2548-L2552 VanDerWaalsContact O-CB 3.32Å; T2548-L2552 WeakPolarHBondContact O-CB 3.33Å; T2548-L2552 WeakPolarHBondContact O-CG 3.1Å; T2548-L2552 PolarHBondContact O-N 3.15Å; A2549-L2552 PolarHBondContact O-N 3.21Å; I2550-L2552 VanDerWaalsContact C-N 3.32Å; I2550-L2552 PolarHBondContact O-N 3.15Å; L2552-Y2555 WeakPolarHBondContact O-CB 3.24Å; L2552-Y2555 PolarHBondContact O-N 3.07Å; L2552-V2556 VanDerWaalsContact O-CG2 3.3Å; L2552-V2556 WeakPolarHBondContact O-CG2 3.32Å; L2552-V2556 PolarHBondContact O-N 3.05Å
2553L90.9Very high88.7Confident3.2 Ų3.232.4 Ų32.42%0.01717%0.169CC..Hα-helixtrans-64.9-45.4178.3179.363.1000111.7F2466 V2521 M2524 D2525 I2528 A2549 I2550 Y2555 V2556 L2557F2466-L2553 HydrophobicContact CE1-CD1 4.28Å; V2521-L2553 HydrophobicContact CG1-CB 4.41Å; V2521-L2553 HydrophobicContact CG1-CD1 4.08Å; M2524-L2553 HydrophobicContact CB-CD2 3.44Å; M2524-L2553 VanDerWaalsContact CB-CD2 3.44Å; M2524-L2553 HydrophobicContact CE-CB 3.96Å; M2524-L2553 HydrophobicContact CE-CD2 4.01Å; M2524-L2553 HydrophobicContact CE-CG 4.41Å; D2525-L2553 HydrophobicContact CB-CD1 3.78Å; D2525-L2553 HydrophobicContact CB-CD2 4.39Å; I2528-L2553 HydrophobicContact CD1-CD1 4.48Å; I2528-L2553 HydrophobicContact CD1-CD2 3.77Å; I2528-L2553 HydrophobicContact CD1-CG 4.25Å; A2549-L2553 WeakPolarHBondContact O-CB 3.36Å; A2549-L2553 PolarHBondContact O-N 3.06Å; I2550-L2553 PolarHBondContact O-N 3.13Å; L2553-Y2555 VanDerWaalsContact C-N 3.25Å; L2553-Y2555 PolarHBondContact O-N 3.26Å; L2553-V2556 PolarHBondContact O-N 3.29Å; L2553-L2557 HydrophobicContact CD1-CD1 3.6Å; L2553-L2557 HydrophobicContact CD1-CG 3.91Å; L2553-L2557 HydrophobicContact CG-CD1 3.92Å; L2553-L2557 HydrophobicContact CG-CG 4.4Å; L2553-L2557 WeakPolarHBondContact O-CB 3.4Å; L2553-L2557 WeakPolarHBondContact O-CG 3.3Å; L2553-L2557 PolarHBondContact O-N 3.09Å
2554A89.7Confident89Confident3 Ų331.3 Ų31.33%0.02516%0.156CC..Hα-helixtrans-59.9-37.8176.700000111.2I2550 L2557 Q2558 L2559 T2561 V2594I2550-A2554 VanDerWaalsContact O-CB 3.25Å; I2550-A2554 WeakPolarHBondContact O-CB 3.39Å; I2550-A2554 PolarHBondContact O-N 3.15Å; A2554-L2557 CarbonylContact O-C 3.6Å; A2554-Q2558 CarbonylContact O-C 3.56Å; A2554-Q2558 WeakPolarHBondContact O-CA 3.33Å; A2554-Q2558 PolarHBondContact O-N 3.15Å; A2554-L2559 HydrophobicContact CB-CB 4.27Å; A2554-L2559 PolarHBondContact O-N 3.18Å; A2554-T2561 HydrophobicContact CB-CG2 3.35Å; A2554-T2561 VanDerWaalsContact CB-OG1 3.28Å; A2554-T2561 WeakPolarHBondContact CB-OG1 3.45Å; A2554-V2594 HydrophobicContact CB-CG2 4.32Å
2555Y86.8Confident89.1Confident36.4 Ų36.435.7 Ų35.714%0.14318%0.183CC..Hα-helixtrans-66.8-48.7173.9-177.7-102.5000112.8A2498 T2501 F2502 E2505 S2551 L2552 L2553 L2557 Q2558A2498-Y2555 HydrophobicContact CB-CD1 4.36Å; T2501-Y2555 WeakPolarHBondContact CB-OH 3.38Å; T2501-Y2555 WeakPolarHBondContact CG2-OH 3.26Å; F2502-Y2555 HydrophobicContact CB-CD1 4.31Å; F2502-Y2555 HydrophobicContact CB-CE1 4.29Å; F2502-Y2555 HydrophobicContact CD2-CD1 4.19Å; F2502-Y2555 AromaticContact CD2-CD2 3.81Å; F2502-Y2555 HydrophobicContact CD2-CD2 3.81Å; F2502-Y2555 HydrophobicContact CD2-CE2 4.4Å; F2502-Y2555 AromaticContact CD2-CG 3.68Å; F2502-Y2555 HydrophobicContact CD2-CG 3.68Å; F2502-Y2555 HydrophobicContact CE2-CD2 4.44Å; F2502-Y2555 HydrophobicContact CE2-CG 4.43Å; E2505-Y2555 VanDerWaalsContact CD-OH 3.28Å; E2505-Y2555 PolarHBondContact OE1-OH 3.44Å; E2505-Y2555 VanDerWaalsContact OE2-CE2 3.24Å; E2505-Y2555 WeakPolarHBondContact OE2-CE2 3.33Å; E2505-Y2555 VanDerWaalsContact OE2-CZ 3.28Å; E2505-Y2555 PolarHBondContact OE2-OH 3.14Å; S2551-Y2555 VanDerWaalsContact O-CB 3.3Å; S2551-Y2555 WeakPolarHBondContact O-CB 3.34Å; S2551-Y2555 PolarHBondContact O-N 3.01Å; L2552-Y2555 WeakPolarHBondContact O-CB 3.24Å; L2552-Y2555 PolarHBondContact O-N 3.07Å; L2553-Y2555 VanDerWaalsContact C-N 3.25Å; L2553-Y2555 PolarHBondContact O-N 3.26Å; Y2555-L2557 VanDerWaalsContact C-N 3.25Å; Y2555-L2557 PolarHBondContact O-N 3.07Å; Y2555-Q2558 PolarHBondContact O-N 3.33Å; Y2555-Q2558 VanDerWaalsContact O-N 3.08Å; Y2555-Q2558 PolarHBondContact O-NE2 3.17Å
2556V86.7Confident89Confident7.8 Ų7.837 Ų375%0.04719%0.185CC..Hα-helixtrans-57.7-38.2178168.60000111.5F2466 L2472 L2495 A2498 L2552 L2553F2466-V2556 HydrophobicContact CB-CG1 4.18Å; F2466-V2556 HydrophobicContact CD1-CG1 3.88Å; F2466-V2556 HydrophobicContact CD2-CG1 4.28Å; F2466-V2556 HydrophobicContact CE1-CG1 4.37Å; F2466-V2556 HydrophobicContact CG-CG1 3.91Å; L2472-V2556 HydrophobicContact CD2-CG1 4.24Å; L2495-V2556 HydrophobicContact CD2-CG2 4.39Å; A2498-V2556 HydrophobicContact CB-CG2 3.7Å; L2552-V2556 VanDerWaalsContact O-CG2 3.3Å; L2552-V2556 WeakPolarHBondContact O-CG2 3.32Å; L2552-V2556 PolarHBondContact O-N 3.05Å; L2553-V2556 PolarHBondContact O-N 3.29Å
2557L86.3Confident88.6Confident29.4 Ų29.439.8 Ų39.815%0.15420%0.204CC..THydrogen-bonded Turntrans-91.92.6-179.9-61.6-179.5000114.2S2465 F2466 D2525 I2528 H2529 L2553 A2554 Y2555 L2559S2465-L2557 WeakPolarHBondContact OG-CD2 3.35Å; F2466-L2557 HydrophobicContact CD1-CD2 4.26Å; D2525-L2557 WeakPolarHBondContact OD1-CD1 3.29Å; I2528-L2557 HydrophobicContact CD1-CD1 3.16Å; I2528-L2557 HydrophobicContact CG1-CD1 4.37Å; I2528-L2557 HydrophobicContact CG2-CD1 4.39Å; H2529-L2557 VanDerWaalsContact CE1-CD1 3.42Å; H2529-L2557 WeakPolarHBondContact CE1-CD1 3.47Å; L2553-L2557 HydrophobicContact CD1-CD1 3.6Å; L2553-L2557 HydrophobicContact CD1-CG 3.91Å; L2553-L2557 HydrophobicContact CG-CD1 3.92Å; L2553-L2557 HydrophobicContact CG-CG 4.4Å; L2553-L2557 WeakPolarHBondContact O-CB 3.4Å; L2553-L2557 WeakPolarHBondContact O-CG 3.3Å; L2553-L2557 PolarHBondContact O-N 3.09Å; A2554-L2557 CarbonylContact O-C 3.6Å; Y2555-L2557 VanDerWaalsContact C-N 3.25Å; Y2555-L2557 PolarHBondContact O-N 3.07Å; L2557-L2559 HydrophobicContact CB-CD1 3.97Å; L2557-L2559 HydrophobicContact CB-CD2 4.41Å; L2557-L2559 HydrophobicContact CB-CG 3.76Å; L2557-L2559 HydrophobicContact CD1-CD1 4.05Å; L2557-L2559 PolarHBondContact O-N 3.2Å
2558Q84.2Confident88.2Confident122.8 Ų122.841 Ų4157%0.57422%0.222SC*.THydrogen-bonded Turntrans53.537.2-177.5-58.6-80.9-42.900113.4A2554 Y2555A2554-Q2558 CarbonylContact O-C 3.56Å; A2554-Q2558 WeakPolarHBondContact O-CA 3.33Å; A2554-Q2558 PolarHBondContact O-N 3.15Å; Y2555-Q2558 PolarHBondContact O-N 3.33Å; Y2555-Q2558 VanDerWaalsContact O-N 3.08Å; Y2555-Q2558 PolarHBondContact O-NE2 3.17Å
2559L88.1Confident87.8Confident22.6 Ų22.642.7 Ų42.712%0.11825%0.246CC..PPolyproline II helixtrans-87.6134.6177.2-57.9176.7000110.6I2528 A2554 L2557 T2561 P2592 V2594I2528-L2559 HydrophobicContact CD1-CD1 4.22Å; I2528-L2559 HydrophobicContact CG2-CD1 3.97Å; A2554-L2559 HydrophobicContact CB-CB 4.27Å; A2554-L2559 PolarHBondContact O-N 3.18Å; L2557-L2559 HydrophobicContact CB-CD1 3.97Å; L2557-L2559 HydrophobicContact CB-CD2 4.41Å; L2557-L2559 HydrophobicContact CB-CG 3.76Å; L2557-L2559 HydrophobicContact CD1-CD1 4.05Å; L2557-L2559 PolarHBondContact O-N 3.2Å; L2559-T2561 PolarHBondContact O-N 3.03Å; L2559-P2592 WeakPolarHBondContact CA-O 3.46Å; L2559-P2592 HydrophobicContact CD2-CB 3.56Å; L2559-P2592 VanDerWaalsContact CD2-CB 3.41Å; L2559-P2592 HydrophobicContact CD2-CG 3.91Å; L2559-P2592 VanDerWaalsContact CD2-CG 3.44Å; L2559-V2594 HydrophobicContact CB-CG2 4.01Å; L2559-V2594 HydrophobicContact CD1-CG2 3.71Å; L2559-V2594 HydrophobicContact CG-CG2 4.47Å
2560R90Very high87.5Confident127.4 Ų127.443.6 Ų43.648%0.48125%0.25SC..EExtended strand (participates in β ladder)trans-65.8129172.7-178.4175176.91760.5109.7I2562 E2591 P2592 L2593 V2594R2560-I2562 HydrophobicContact CG-CG1 4.42Å; R2560-E2591 VanDerWaalsContact CD-OE2 3.25Å; R2560-E2591 WeakPolarHBondContact CD-OE2 3.43Å; R2560-E2591 IonicContact CZ-OE2 3.76Å; R2560-E2591 IonicContact NE-OE2 3.2Å; R2560-E2591 IonicContact NH1-OE1 2.98Å; R2560-E2591 IonicContact NH1-OE2 3.3Å; R2560-E2591 PolarHBondContact NH1-OE2 3.13Å; R2560-E2591 VanDerWaalsContact NH1-OE2 3.14Å; R2560-P2592 PolarHBondContact N-O 3.02Å; R2560-P2592 VanDerWaalsContact N-O 3.11Å; R2560-L2593 HydrophobicContact CB-CB 3.93Å; R2560-L2593 HydrophobicContact CB-CD1 3.83Å; R2560-L2593 HydrophobicContact CG-CB 4.5Å; R2560-L2593 HydrophobicContact CG-CD1 3.66Å; R2560-L2593 CarbonylContact O-C 3.41Å; R2560-L2593 WeakPolarHBondContact O-CA 3.3Å; R2560-L2593 VanDerWaalsContact O-CB 3.29Å; R2560-L2593 WeakPolarHBondContact O-CB 3.25Å; R2560-L2593 WeakPolarHBondContact O-CD1 3.28Å; R2560-V2594 PolarHBondContact O-N 3.11Å
2561T90.8Very high87.3Confident62 Ų6246.7 Ų46.738%0.3827%0.266SS..EExtended strand (participates in β ladder)trans-104.2129.7177.6-45.40000110.9A2554 L2559 V2594 I2596A2554-T2561 HydrophobicContact CB-CG2 3.35Å; A2554-T2561 VanDerWaalsContact CB-OG1 3.28Å; A2554-T2561 WeakPolarHBondContact CB-OG1 3.45Å; L2559-T2561 PolarHBondContact O-N 3.03Å; T2561-V2594 CarbonylContact C-O 3.59Å; T2561-V2594 VanDerWaalsContact CA-O 3.31Å; T2561-V2594 WeakPolarHBondContact CA-O 3.36Å; T2561-V2594 HydrophobicContact CG2-CB 3.97Å; T2561-V2594 HydrophobicContact CG2-CG1 4.25Å; T2561-I2596 HydrophobicContact CG2-CD1 3.71Å; T2561-I2596 VanDerWaalsContact CG2-CD1 3.49Å; T2561-I2596 HydrophobicContact CG2-CG1 4.15Å
2562I92Very high87.3Confident37.8 Ų37.849.4 Ų49.419%0.19428%0.275CS..EExtended strand (participates in β ladder)trans-123.7124.5171.6-59.4177.7000107.6R2560 V2582 A2585 L2593 V2594 F2595 I2596R2560-I2562 HydrophobicContact CG-CG1 4.42Å; I2562-V2582 HydrophobicContact CB-CG2 4.42Å; I2562-V2582 HydrophobicContact CD1-CG2 4.41Å; I2562-V2582 HydrophobicContact CG2-CG2 3.94Å; I2562-A2585 HydrophobicContact CD1-CB 4.18Å; I2562-L2593 HydrophobicContact CB-CD1 4.16Å; I2562-L2593 HydrophobicContact CD1-CD1 3.99Å; I2562-L2593 HydrophobicContact CD1-CD2 4.04Å; I2562-L2593 HydrophobicContact CD1-CG 4.4Å; I2562-L2593 HydrophobicContact CG1-CD1 3.8Å; I2562-V2594 PolarHBondContact N-O 3.29Å; I2562-F2595 HydrophobicContact CB-CD2 4.39Å; I2562-F2595 HydrophobicContact CG2-CD2 4.23Å; I2562-F2595 CarbonylContact O-C 3.54Å; I2562-F2595 VanDerWaalsContact O-CA 3.32Å; I2562-F2595 WeakPolarHBondContact O-CA 3.44Å; I2562-F2595 WeakPolarHBondContact O-CD2 3.39Å; I2562-I2596 PolarHBondContact O-N 3.13Å
2563S91.3Very high87.3Confident30.8 Ų30.856.9 Ų56.922%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-110.8142.7173.6-178.50000108.6R2547 T2565 Q2601R2547-S2563 PolarHBondContact NH1-OG 3.22Å; R2547-S2563 VanDerWaalsContact NH1-OG 3.1Å; R2547-S2563 PolarHBondContact NH2-OG 3.04Å; R2547-S2563 VanDerWaalsContact NH2-OG 3.12Å; S2563-T2565 PolarHBondContact O-N 3.07Å; S2563-Q2601 PolarHBondContact OG-NE2 2.91Å
2564L90.3Very high87.2Confident5.2 Ų5.259.8 Ų59.83%0.02732%0.323CS..  trans-65.5138.5170.2-128.5102000109.6Y2570 Y2575 S2578 F2595 I2596 V2597 Q2601L2564-Y2570 WeakPolarHBondContact CD1-OH 3.35Å; L2564-Y2575 HydrophobicContact CD1-CD2 4.19Å; L2564-Y2575 HydrophobicContact CD1-CE2 4.15Å; L2564-Y2575 HydrophobicContact CD2-CD2 4.11Å; L2564-Y2575 HydrophobicContact CD2-CE2 4Å; L2564-S2578 VanDerWaalsContact CD1-CB 3.47Å; L2564-F2595 HydrophobicContact CB-CE2 4.14Å; L2564-F2595 HydrophobicContact CB-CZ 4.33Å; L2564-F2595 HydrophobicContact CD1-CE2 4.35Å; L2564-F2595 HydrophobicContact CD1-CZ 4.19Å; L2564-F2595 HydrophobicContact CD2-CE2 3.76Å; L2564-F2595 HydrophobicContact CD2-CZ 3.77Å; L2564-F2595 HydrophobicContact CG-CE2 3.86Å; L2564-F2595 HydrophobicContact CG-CZ 3.91Å; L2564-I2596 PolarHBondContact N-O 3.1Å; L2564-V2597 HydrophobicContact CB-CG2 4.49Å; L2564-V2597 HydrophobicContact CD1-CG1 4.2Å; L2564-V2597 HydrophobicContact CD1-CG2 4.03Å; L2564-V2597 HydrophobicContact CD2-CG1 4.27Å; L2564-V2597 HydrophobicContact CD2-CG2 4.47Å; L2564-V2597 HydrophobicContact CG-CG2 4.36Å; L2564-Q2601 HydrophobicContact CB-CB 4.45Å; L2564-Q2601 HydrophobicContact CB-CG 4.41Å; L2564-Q2601 HydrophobicContact CD1-CB 4.17Å; L2564-Q2601 HydrophobicContact CD2-CB 3.96Å; L2564-Q2601 PolarHBondContact O-NE2 3.33Å
2565T85.7Confident87.4Confident100.6 Ų100.659.7 Ų59.762%0.61732%0.322SS*.  trans-119.4119.3179.1-42.60000109S2563 Y2570S2563-T2565 PolarHBondContact O-N 3.07Å; T2565-Y2570 WeakPolarHBondContact O-CE2 3.32Å
2566I85.1Confident87.6Confident44.6 Ų44.661.3 Ų61.323%0.22933%0.329CS..  trans-88.1126178.2-53.1-139.5000109.2Y2570 Y2600 Q2601 L2603 P3215 V3216I2566-Y2570 HydrophobicContact CD1-CD1 3.66Å; I2566-Y2570 VanDerWaalsContact CD1-CD1 3.5Å; I2566-Y2570 HydrophobicContact CD1-CD2 4.26Å; I2566-Y2570 HydrophobicContact CD1-CE1 3.74Å; I2566-Y2570 HydrophobicContact CD1-CE2 4.33Å; I2566-Y2570 HydrophobicContact CD1-CG 4.01Å; I2566-Y2570 HydrophobicContact CG1-CD1 4.29Å; I2566-Y2570 HydrophobicContact CG1-CG 4.37Å; I2566-Y2570 HydrophobicContact CG2-CD1 4.43Å; I2566-Y2570 HydrophobicContact CG2-CG 4.17Å; I2566-Y2600 HydrophobicContact CD1-CD2 3.44Å; I2566-Y2600 HydrophobicContact CD1-CE2 3.57Å; I2566-Y2600 VanDerWaalsContact CD1-CE2 3.46Å; I2566-Y2600 HydrophobicContact CD1-CG 4.49Å; I2566-Y2600 VanDerWaalsContact CD1-O 3.29Å; I2566-Y2600 WeakPolarHBondContact CD1-O 3.45Å; I2566-Y2600 HydrophobicContact CG1-CE2 4.27Å; I2566-Q2601 VanDerWaalsContact CD1-CA 3.41Å; I2566-Q2601 HydrophobicContact CD1-CB 3.96Å; I2566-Q2601 HydrophobicContact CD1-CG 4.16Å; I2566-Q2601 HydrophobicContact CG1-CB 4.2Å; I2566-Q2601 HydrophobicContact CG1-CG 4.1Å; I2566-L2603 HydrophobicContact CD1-CD2 3.97Å; I2566-L2603 HydrophobicContact CD1-CG 4.38Å; I2566-P3215 HydrophobicContact CB-CB 4.19Å; I2566-P3215 HydrophobicContact CD1-CB 3.55Å; I2566-P3215 HydrophobicContact CD1-CG 4.21Å; I2566-P3215 HydrophobicContact CG1-CB 4.44Å; I2566-P3215 HydrophobicContact CG2-CB 3.89Å; I2566-V3216 HydrophobicContact CG2-CG2 4.15Å
2567V83.2Confident87.8Confident75 Ų7563.8 Ų63.846%0.45535%0.347SS..  trans-111.6158.1172.9-800000109.6G2569 Y2570V2567-G2569 PolarHBondContact O-N 3.15Å; V2567-G2569 VanDerWaalsContact O-N 3.15Å; V2567-Y2570 HydrophobicContact CG2-CD2 4.17Å; V2567-Y2570 VanDerWaalsContact O-CB 3.27Å; V2567-Y2570 WeakPolarHBondContact O-CB 3.42Å; V2567-Y2570 PolarHBondContact O-N 3.12Å; V2567-Y2570 VanDerWaalsContact O-N 3.09Å
2568P79.4Confident88.1Confident102.6 Ų102.663.5 Ų63.567%0.66635%0.348SS*.THydrogen-bonded Turntrans-55.4128.1174.6-27.938.4000111.5Y2570 V3192 V3216P2568-Y2570 VanDerWaalsContact C-N 3.31Å; P2568-V3192 HydrophobicContact CB-CB 4.37Å; P2568-V3192 HydrophobicContact CB-CG1 4.41Å; P2568-V3192 HydrophobicContact CB-CG2 4.12Å; P2568-V3192 HydrophobicContact CG-CB 3.81Å; P2568-V3192 HydrophobicContact CG-CG1 3.36Å; P2568-V3192 HydrophobicContact CG-CG2 3.85Å; P2568-V3216 HydrophobicContact CG-CG2 4.42Å
2569G80.5Confident88.6Confident69.8 Ų69.857.7 Ų57.772%0.7232%0.321SS*.THydrogen-bonded Turntrans82.314.1-174.900000115.1V2567 D2571 N2574V2567-G2569 PolarHBondContact O-N 3.15Å; V2567-G2569 VanDerWaalsContact O-N 3.15Å; G2569-D2571 PolarHBondContact O-N 3.21Å; G2569-D2571 VanDerWaalsContact O-N 3.15Å; G2569-N2574 PolarHBondContact O-OD1 2.75Å
2570Y85.3Confident88.8Confident19.6 Ų19.658.6 Ų58.68%0.07732%0.324CS..  trans-57.5119.3174.9-163.8-98.2000111.5L2564 T2565 I2566 V2567 P2568 N2574 Y2575 S2578 L2603 F2607L2564-Y2570 WeakPolarHBondContact CD1-OH 3.35Å; T2565-Y2570 WeakPolarHBondContact O-CE2 3.32Å; I2566-Y2570 HydrophobicContact CD1-CD1 3.66Å; I2566-Y2570 VanDerWaalsContact CD1-CD1 3.5Å; I2566-Y2570 HydrophobicContact CD1-CD2 4.26Å; I2566-Y2570 HydrophobicContact CD1-CE1 3.74Å; I2566-Y2570 HydrophobicContact CD1-CE2 4.33Å; I2566-Y2570 HydrophobicContact CD1-CG 4.01Å; I2566-Y2570 HydrophobicContact CG1-CD1 4.29Å; I2566-Y2570 HydrophobicContact CG1-CG 4.37Å; I2566-Y2570 HydrophobicContact CG2-CD1 4.43Å; I2566-Y2570 HydrophobicContact CG2-CG 4.17Å; V2567-Y2570 HydrophobicContact CG2-CD2 4.17Å; V2567-Y2570 VanDerWaalsContact O-CB 3.27Å; V2567-Y2570 WeakPolarHBondContact O-CB 3.42Å; V2567-Y2570 PolarHBondContact O-N 3.12Å; V2567-Y2570 VanDerWaalsContact O-N 3.09Å; P2568-Y2570 VanDerWaalsContact C-N 3.31Å; Y2570-N2574 WeakPolarHBondContact CA-OD1 3.27Å; Y2570-N2574 HydrophobicContact CD2-CB 3.58Å; Y2570-N2574 HydrophobicContact CE2-CB 3.58Å; Y2570-N2574 HydrophobicContact CG-CB 4.15Å; Y2570-Y2575 HydrophobicContact CE1-CD2 4.37Å; Y2570-Y2575 HydrophobicContact CE1-CG 4.49Å; Y2570-Y2575 VanDerWaalsContact OH-CA 3.29Å; Y2570-Y2575 WeakPolarHBondContact OH-CA 3.28Å; Y2570-S2578 PolarHBondContact OH-OG 3.05Å; Y2570-S2578 VanDerWaalsContact OH-OG 3.09Å; Y2570-L2603 HydrophobicContact CD1-CD1 4.14Å; Y2570-L2603 VanDerWaalsContact O-CD1 3.25Å; Y2570-L2603 WeakPolarHBondContact O-CD1 3.3Å; Y2570-F2607 HydrophobicContact CD1-CE1 4.3Å; Y2570-F2607 HydrophobicContact CD1-CZ 4.48Å; Y2570-F2607 AromaticContact CE1-CE1 3.95Å; Y2570-F2607 HydrophobicContact CE1-CE1 3.98Å; Y2570-F2607 HydrophobicContact CE1-CZ 4.49Å
2571D87.6Confident88.8Confident66.6 Ų66.658.3 Ų58.336%0.35633%0.328SS..  trans-121.7-176.9179.675.90000111.9G2569 K2573 N2574 Y2575G2569-D2571 PolarHBondContact O-N 3.21Å; G2569-D2571 VanDerWaalsContact O-N 3.15Å; D2571-K2573 PolarHBondContact O-N 3.14Å; D2571-K2573 VanDerWaalsContact OD1-CA 3.29Å; D2571-K2573 WeakPolarHBondContact OD1-CA 3.34Å; D2571-K2573 VanDerWaalsContact OD1-CB 3.23Å; D2571-K2573 WeakPolarHBondContact OD1-CB 3.33Å; D2571-K2573 PolarHBondContact OD1-N 3.04Å; D2571-N2574 PolarHBondContact N-OD1 3.1Å; D2571-N2574 VanDerWaalsContact N-OD1 3.11Å; D2571-N2574 WeakPolarHBondContact O-CB 3.06Å; D2571-N2574 PolarHBondContact O-N 3.02Å; D2571-N2574 PolarHBondContact OD1-N 3.19Å; D2571-N2574 PolarHBondContact OD1-OD1 3.15Å; D2571-N2574 VanDerWaalsContact OD1-OD1 3.07Å; D2571-Y2575 PolarHBondContact O-N 3.19Å; D2571-Y2575 VanDerWaalsContact O-N 3.11Å
2572Y89.5Confident88.9Confident69.4 Ų69.455.4 Ų55.427%0.27231%0.31SS..Hα-helixtrans-63.8-22.7177.8-169.3-121.5000113.4Y2575 K2576 F2607 P2610Y2572-Y2575 AromaticContact CD2-CD1 3.88Å; Y2572-Y2575 HydrophobicContact CD2-CD1 3.91Å; Y2572-Y2575 AromaticContact CE2-CD1 3.86Å; Y2572-Y2575 HydrophobicContact CE2-CD1 3.94Å; Y2572-Y2575 HydrophobicContact CE2-CE1 4.35Å; Y2572-K2576 HydrophobicContact CD1-CD 4.31Å; Y2572-K2576 HydrophobicContact CE1-CD 4.19Å; Y2572-K2576 VanDerWaalsContact CE1-CE 3.43Å; Y2572-K2576 HydrophobicContact CE1-CG 4.43Å; Y2572-K2576 WeakPolarHBondContact O-CG 3.29Å; Y2572-K2576 PolarHBondContact O-N 3.04Å; Y2572-F2607 AromaticContact CD2-CD2 3.79Å; Y2572-F2607 HydrophobicContact CD2-CD2 3.79Å; Y2572-F2607 AromaticContact CD2-CE2 3.72Å; Y2572-F2607 HydrophobicContact CD2-CE2 3.72Å; Y2572-F2607 HydrophobicContact CD2-CG 4.44Å; Y2572-F2607 HydrophobicContact CD2-CZ 4.37Å; Y2572-F2607 HydrophobicContact CE2-CD2 4.34Å; Y2572-F2607 HydrophobicContact CG-CE2 4.3Å; Y2572-P2610 HydrophobicContact CE2-CG 4.03Å; Y2572-P2610 VanDerWaalsContact OH-CG 3.26Å; Y2572-P2610 WeakPolarHBondContact OH-CG 3.33Å
2573K88.9Confident88.9Confident157.6 Ų157.653.7 Ų53.769%0.68530%0.301SS*.Hα-helixtrans-74.4-43175-72.6177.2178.7173.90110.7D2571 Y2575 K2576 S2577D2571-K2573 PolarHBondContact O-N 3.14Å; D2571-K2573 VanDerWaalsContact OD1-CA 3.29Å; D2571-K2573 WeakPolarHBondContact OD1-CA 3.34Å; D2571-K2573 VanDerWaalsContact OD1-CB 3.23Å; D2571-K2573 WeakPolarHBondContact OD1-CB 3.33Å; D2571-K2573 PolarHBondContact OD1-N 3.04Å; K2573-Y2575 VanDerWaalsContact C-N 3.27Å; K2573-Y2575 PolarHBondContact O-N 3.18Å; K2573-K2576 PolarHBondContact O-N 3.15Å; K2573-S2577 PolarHBondContact O-N 3.05Å; K2573-S2577 VanDerWaalsContact O-N 3.07Å
2574N90.1Very high88.8Confident65 Ų6555.7 Ų55.735%0.34831%0.308SS..Hα-helixtrans-60.5-41.9172.8-62.6102.7000110.7G2569 Y2570 D2571 K2576 S2577 S2578G2569-N2574 PolarHBondContact O-OD1 2.75Å; Y2570-N2574 WeakPolarHBondContact CA-OD1 3.27Å; Y2570-N2574 HydrophobicContact CD2-CB 3.58Å; Y2570-N2574 HydrophobicContact CE2-CB 3.58Å; Y2570-N2574 HydrophobicContact CG-CB 4.15Å; D2571-N2574 PolarHBondContact N-OD1 3.1Å; D2571-N2574 VanDerWaalsContact N-OD1 3.11Å; D2571-N2574 WeakPolarHBondContact O-CB 3.06Å; D2571-N2574 PolarHBondContact O-N 3.02Å; D2571-N2574 PolarHBondContact OD1-N 3.19Å; D2571-N2574 PolarHBondContact OD1-OD1 3.15Å; D2571-N2574 VanDerWaalsContact OD1-OD1 3.07Å; N2574-K2576 PolarHBondContact O-N 3.24Å; N2574-S2577 WeakPolarHBondContact O-CA 3.48Å; N2574-S2577 VanDerWaalsContact O-CB 3.31Å; N2574-S2577 WeakPolarHBondContact O-CB 3.31Å; N2574-S2577 PolarHBondContact O-N 2.88Å; N2574-S2577 VanDerWaalsContact O-N 3.11Å; N2574-S2578 PolarHBondContact O-N 3.32Å; N2574-S2578 PolarHBondContact O-OG 3.05Å
2575Y93.3Very high88.8Confident0 Ų056 Ų560%031%0.311CS..Hα-helixtrans-58.7-48.8175.1-175.6-124.3000113L2564 Y2570 D2571 Y2572 K2573 S2577 S2578 L2579 F2607 P2610 I2611L2564-Y2575 HydrophobicContact CD1-CD2 4.19Å; L2564-Y2575 HydrophobicContact CD1-CE2 4.15Å; L2564-Y2575 HydrophobicContact CD2-CD2 4.11Å; L2564-Y2575 HydrophobicContact CD2-CE2 4Å; Y2570-Y2575 HydrophobicContact CE1-CD2 4.37Å; Y2570-Y2575 HydrophobicContact CE1-CG 4.49Å; Y2570-Y2575 VanDerWaalsContact OH-CA 3.29Å; Y2570-Y2575 WeakPolarHBondContact OH-CA 3.28Å; D2571-Y2575 PolarHBondContact O-N 3.19Å; D2571-Y2575 VanDerWaalsContact O-N 3.11Å; Y2572-Y2575 AromaticContact CD2-CD1 3.88Å; Y2572-Y2575 HydrophobicContact CD2-CD1 3.91Å; Y2572-Y2575 AromaticContact CE2-CD1 3.86Å; Y2572-Y2575 HydrophobicContact CE2-CD1 3.94Å; Y2572-Y2575 HydrophobicContact CE2-CE1 4.35Å; K2573-Y2575 VanDerWaalsContact C-N 3.27Å; K2573-Y2575 PolarHBondContact O-N 3.18Å; Y2575-S2577 VanDerWaalsContact C-N 3.27Å; Y2575-S2577 PolarHBondContact O-N 3.03Å; Y2575-S2578 WeakPolarHBondContact O-CB 3.42Å; Y2575-S2578 PolarHBondContact O-N 3.19Å; Y2575-S2578 VanDerWaalsContact O-N 3.13Å; Y2575-L2579 HydrophobicContact CD1-CD1 3.98Å; Y2575-L2579 HydrophobicContact CD2-CD1 4.48Å; Y2575-L2579 HydrophobicContact CD2-CG 4.42Å; Y2575-L2579 HydrophobicContact CE1-CD1 3.6Å; Y2575-L2579 HydrophobicContact CE1-CG 4.45Å; Y2575-L2579 HydrophobicContact CE2-CD1 4.18Å; Y2575-L2579 HydrophobicContact CE2-CD2 4.24Å; Y2575-L2579 HydrophobicContact CE2-CG 4.16Å; Y2575-L2579 HydrophobicContact CG-CD1 4.42Å; Y2575-L2579 WeakPolarHBondContact O-CG 3.3Å; Y2575-L2579 PolarHBondContact O-N 3.03Å; Y2575-F2607 HydrophobicContact CD1-CB 4.32Å; Y2575-F2607 AromaticContact CD1-CD1 3.71Å; Y2575-F2607 HydrophobicContact CD1-CD1 3.71Å; Y2575-F2607 HydrophobicContact CD1-CD2 4.37Å; Y2575-F2607 HydrophobicContact CD1-CE1 4.09Å; Y2575-F2607 AromaticContact CD1-CG 3.89Å; Y2575-F2607 HydrophobicContact CD1-CG 3.89Å; Y2575-F2607 HydrophobicContact CD1-CZ 4.48Å; Y2575-F2607 AromaticContact CD2-CD1 3.93Å; Y2575-F2607 HydrophobicContact CD2-CD1 3.93Å; Y2575-F2607 HydrophobicContact CD2-CE1 4.13Å; Y2575-F2607 HydrophobicContact CE1-CB 3.89Å; Y2575-F2607 AromaticContact CE1-CD1 3.94Å; Y2575-F2607 HydrophobicContact CE1-CD1 3.96Å; Y2575-F2607 AromaticContact CE1-CG 3.9Å; Y2575-F2607 HydrophobicContact CE1-CG 3.97Å; Y2575-F2607 WeakPolarHBondContact CE1-O 3.46Å; Y2575-F2607 HydrophobicContact CE2-CD1 4.21Å; Y2575-F2607 AromaticContact CG-CD1 3.68Å; Y2575-F2607 HydrophobicContact CG-CD1 3.68Å; Y2575-F2607 AromaticContact CG-CE1 3.73Å; Y2575-F2607 HydrophobicContact CG-CE1 3.73Å; Y2575-F2607 HydrophobicContact CG-CG 4.34Å; Y2575-F2607 HydrophobicContact CG-CZ 4.36Å; Y2575-F2607 PolarHBondContact OH-O 3.17Å; Y2575-P2610 HydrophobicContact CE1-CB 4.26Å; Y2575-P2610 HydrophobicContact CE1-CG 4.03Å; Y2575-I2611 WeakPolarHBondContact OH-CD1 3.39Å; Y2575-I2611 VanDerWaalsContact OH-CG1 3.22Å; Y2575-I2611 WeakPolarHBondContact OH-CG1 3.34Å
2576K91.9Very high88.9Confident69.8 Ų69.851.2 Ų51.230%0.30328%0.281SS..Hα-helixtrans-56.8-40.1172.9-77.9-176.2174.1-174.80112.6Y2572 K2573 N2574 S2578 L2579 K2580 L2623Y2572-K2576 HydrophobicContact CD1-CD 4.31Å; Y2572-K2576 HydrophobicContact CE1-CD 4.19Å; Y2572-K2576 VanDerWaalsContact CE1-CE 3.43Å; Y2572-K2576 HydrophobicContact CE1-CG 4.43Å; Y2572-K2576 WeakPolarHBondContact O-CG 3.29Å; Y2572-K2576 PolarHBondContact O-N 3.04Å; K2573-K2576 PolarHBondContact O-N 3.15Å; N2574-K2576 PolarHBondContact O-N 3.24Å; K2576-S2578 VanDerWaalsContact C-N 3.34Å; K2576-S2578 PolarHBondContact O-N 3.36Å; K2576-L2579 PolarHBondContact O-N 3Å; K2576-K2580 WeakPolarHBondContact O-CG 3.38Å; K2576-K2580 PolarHBondContact O-N 3.11Å; K2576-L2623 HydrophobicContact CB-CD1 3.74Å; K2576-L2623 HydrophobicContact CD-CD1 4.29Å; K2576-L2623 HydrophobicContact CG-CD1 3.82Å
2577S91.3Very high89.1Confident60.4 Ų60.449.2 Ų49.242%0.42227%0.271SS..Hα-helixtrans-63.4-43.2176.6-168.50000112.2K2573 N2574 Y2575 L2579 K2580 Q2581K2573-S2577 PolarHBondContact O-N 3.05Å; K2573-S2577 VanDerWaalsContact O-N 3.07Å; N2574-S2577 WeakPolarHBondContact O-CA 3.48Å; N2574-S2577 VanDerWaalsContact O-CB 3.31Å; N2574-S2577 WeakPolarHBondContact O-CB 3.31Å; N2574-S2577 PolarHBondContact O-N 2.88Å; N2574-S2577 VanDerWaalsContact O-N 3.11Å; Y2575-S2577 VanDerWaalsContact C-N 3.27Å; Y2575-S2577 PolarHBondContact O-N 3.03Å; S2577-L2579 VanDerWaalsContact C-N 3.34Å; S2577-L2579 PolarHBondContact O-N 3.31Å; S2577-K2580 WeakPolarHBondContact O-CB 3.36Å; S2577-K2580 PolarHBondContact O-N 3.21Å; S2577-Q2581 WeakPolarHBondContact O-CG 3.4Å; S2577-Q2581 PolarHBondContact O-N 3.15Å
2578S92.2Very high89Confident24.8 Ų24.848.8 Ų48.817%0.17327%0.269CS..Hα-helixtrans-61.1-43.1175.1-57.70000111.6L2564 Y2570 N2574 Y2575 K2576 K2580 Q2581 V2582L2564-S2578 VanDerWaalsContact CD1-CB 3.47Å; Y2570-S2578 PolarHBondContact OH-OG 3.05Å; Y2570-S2578 VanDerWaalsContact OH-OG 3.09Å; N2574-S2578 PolarHBondContact O-N 3.32Å; N2574-S2578 PolarHBondContact O-OG 3.05Å; Y2575-S2578 WeakPolarHBondContact O-CB 3.42Å; Y2575-S2578 PolarHBondContact O-N 3.19Å; Y2575-S2578 VanDerWaalsContact O-N 3.13Å; K2576-S2578 VanDerWaalsContact C-N 3.34Å; K2576-S2578 PolarHBondContact O-N 3.36Å; S2578-K2580 VanDerWaalsContact C-N 3.35Å; S2578-K2580 PolarHBondContact O-N 3.04Å; S2578-Q2581 WeakPolarHBondContact O-CB 3.42Å; S2578-Q2581 PolarHBondContact O-N 2.98Å; S2578-V2582 WeakPolarHBondContact O-CG2 3.35Å; S2578-V2582 PolarHBondContact O-N 3.12Å; S2578-V2582 VanDerWaalsContact O-N 3.08Å
2579L94Very high88.9Confident0.4 Ų0.446.1 Ų46.10%0.00226%0.256CS..Hα-helixtrans-64.4-37.5177.2-66.8173.1000112.7Y2575 K2576 S2577 Q2581 V2582 I2583 F2595 P2610 L2614 I2620 L2623Y2575-L2579 HydrophobicContact CD1-CD1 3.98Å; Y2575-L2579 HydrophobicContact CD2-CD1 4.48Å; Y2575-L2579 HydrophobicContact CD2-CG 4.42Å; Y2575-L2579 HydrophobicContact CE1-CD1 3.6Å; Y2575-L2579 HydrophobicContact CE1-CG 4.45Å; Y2575-L2579 HydrophobicContact CE2-CD1 4.18Å; Y2575-L2579 HydrophobicContact CE2-CD2 4.24Å; Y2575-L2579 HydrophobicContact CE2-CG 4.16Å; Y2575-L2579 HydrophobicContact CG-CD1 4.42Å; Y2575-L2579 WeakPolarHBondContact O-CG 3.3Å; Y2575-L2579 PolarHBondContact O-N 3.03Å; K2576-L2579 PolarHBondContact O-N 3Å; S2577-L2579 VanDerWaalsContact C-N 3.34Å; S2577-L2579 PolarHBondContact O-N 3.31Å; L2579-Q2581 VanDerWaalsContact C-N 3.34Å; L2579-Q2581 PolarHBondContact O-N 3.18Å; L2579-V2582 PolarHBondContact O-N 3.12Å; L2579-I2583 WeakPolarHBondContact O-CB 3.33Å; L2579-I2583 VanDerWaalsContact O-CG1 3.32Å; L2579-I2583 WeakPolarHBondContact O-CG1 3.39Å; L2579-I2583 PolarHBondContact O-N 3.09Å; L2579-F2595 HydrophobicContact CD2-CE1 3.8Å; L2579-F2595 HydrophobicContact CD2-CZ 4.07Å; L2579-P2610 HydrophobicContact CD1-CB 3.58Å; L2579-P2610 HydrophobicContact CD1-CG 4.3Å; L2579-L2614 HydrophobicContact CD2-CD2 4.42Å; L2579-I2620 HydrophobicContact CB-CD1 4.21Å; L2579-I2620 HydrophobicContact CD1-CD1 3.75Å; L2579-I2620 HydrophobicContact CD2-CD1 4.49Å; L2579-I2620 HydrophobicContact CG-CD1 4.38Å; L2579-L2623 HydrophobicContact CB-CD1 4.46Å; L2579-L2623 HydrophobicContact CB-CD2 4.33Å
2580K92.9Very high89Confident40.6 Ų40.645.3 Ų45.318%0.17724%0.235CC..Hα-helixtrans-58.4-46172.7-75.1-176.3174.4-174.40111.6K2576 S2577 S2578 V2582 I2583 Q2584 L2623 F2624 E2628K2576-K2580 WeakPolarHBondContact O-CG 3.38Å; K2576-K2580 PolarHBondContact O-N 3.11Å; S2577-K2580 WeakPolarHBondContact O-CB 3.36Å; S2577-K2580 PolarHBondContact O-N 3.21Å; S2578-K2580 VanDerWaalsContact C-N 3.35Å; S2578-K2580 PolarHBondContact O-N 3.04Å; K2580-V2582 VanDerWaalsContact C-N 3.35Å; K2580-V2582 PolarHBondContact O-N 3.23Å; K2580-I2583 PolarHBondContact O-N 3.3Å; K2580-Q2584 WeakPolarHBondContact O-CB 3.42Å; K2580-Q2584 VanDerWaalsContact O-CG 3.23Å; K2580-Q2584 WeakPolarHBondContact O-CG 3.43Å; K2580-Q2584 PolarHBondContact O-N 3.21Å; K2580-L2623 WeakPolarHBondContact CE-O 3.33Å; K2580-L2623 HydrophobicContact CG-CD1 4.08Å; K2580-L2623 HydrophobicContact CG-CD2 4.02Å; K2580-L2623 HydrophobicContact CG-CG 3.82Å; K2580-L2623 PolarHBondContact NZ-O 3.18Å; K2580-L2623 VanDerWaalsContact NZ-O 3.08Å; K2580-F2624 HydrophobicContact CB-CE1 4.03Å; K2580-F2624 HydrophobicContact CB-CZ 4.14Å; K2580-F2624 HydrophobicContact CD-CD1 4.26Å; K2580-F2624 HydrophobicContact CD-CE1 4.06Å; K2580-F2624 HydrophobicContact CG-CD1 4.22Å; K2580-F2624 HydrophobicContact CG-CE1 3.68Å; K2580-F2624 HydrophobicContact CG-CZ 3.91Å; K2580-E2628 VanDerWaalsContact NZ-CD 3.27Å; K2580-E2628 IonicContact NZ-OE1 3.33Å; K2580-E2628 PolarHBondContact NZ-OE1 2.99Å; K2580-E2628 VanDerWaalsContact NZ-OE1 3.08Å; K2580-E2628 IonicContact NZ-OE2 3.13Å; K2580-E2628 PolarHBondContact NZ-OE2 3.06Å
2581Q90.4Very high88.8Confident121.6 Ų121.648.6 Ų48.657%0.56825%0.251SS*.Hα-helixtrans-62.7-42.3179.2-68.3174.5-500111.9S2577 S2578 L2579 Q2584 A2585S2577-Q2581 WeakPolarHBondContact O-CG 3.4Å; S2577-Q2581 PolarHBondContact O-N 3.15Å; S2578-Q2581 WeakPolarHBondContact O-CB 3.42Å; S2578-Q2581 PolarHBondContact O-N 2.98Å; L2579-Q2581 VanDerWaalsContact C-N 3.34Å; L2579-Q2581 PolarHBondContact O-N 3.18Å; Q2581-Q2584 PolarHBondContact O-N 2.91Å; Q2581-A2585 VanDerWaalsContact O-CB 3.29Å; Q2581-A2585 WeakPolarHBondContact O-CB 3.42Å; Q2581-A2585 PolarHBondContact O-N 3.29Å
2582V92.3Very high88.8Confident1.6 Ų1.647 Ų471%0.0124%0.244CC..Hα-helixtrans-61.9-48.1176.8171.50000111.2I2562 S2578 L2579 K2580 A2585 A2586 L2593 F2595 L2661I2562-V2582 HydrophobicContact CB-CG2 4.42Å; I2562-V2582 HydrophobicContact CD1-CG2 4.41Å; I2562-V2582 HydrophobicContact CG2-CG2 3.94Å; S2578-V2582 WeakPolarHBondContact O-CG2 3.35Å; S2578-V2582 PolarHBondContact O-N 3.12Å; S2578-V2582 VanDerWaalsContact O-N 3.08Å; L2579-V2582 PolarHBondContact O-N 3.12Å; K2580-V2582 VanDerWaalsContact C-N 3.35Å; K2580-V2582 PolarHBondContact O-N 3.23Å; V2582-A2585 PolarHBondContact O-N 3.04Å; V2582-A2586 WeakPolarHBondContact O-CB 3.27Å; V2582-A2586 PolarHBondContact O-N 3.07Å; V2582-L2593 HydrophobicContact CG1-CD1 4.22Å; V2582-L2593 HydrophobicContact CG1-CD2 4.11Å; V2582-L2593 WeakPolarHBondContact O-CD2 3.27Å; V2582-F2595 HydrophobicContact CG1-CB 4.01Å; V2582-F2595 HydrophobicContact CG1-CD1 4.14Å; V2582-F2595 HydrophobicContact CG1-CD2 4.3Å; V2582-F2595 HydrophobicContact CG1-CG 3.9Å; V2582-F2595 HydrophobicContact CG2-CD1 4.41Å; V2582-F2595 HydrophobicContact CG2-CD2 3.6Å; V2582-F2595 HydrophobicContact CG2-CE1 4.44Å; V2582-F2595 HydrophobicContact CG2-CE2 3.71Å; V2582-F2595 HydrophobicContact CG2-CG 4.04Å; V2582-F2595 HydrophobicContact CG2-CZ 4.22Å; V2582-L2661 HydrophobicContact CG1-CD1 3.54Å; V2582-L2661 HydrophobicContact CG1-CD2 4.4Å
2583I92.1Very high88.9Confident1.2 Ų1.243.8 Ų43.81%0.00623%0.232CC..Hα-helixtrans-64.9-42.6179.6-70.7169.2000111.2L2579 K2580 A2585 A2586 C2587 L2614 I2620 L2623 F2624 F2653 V2657L2579-I2583 WeakPolarHBondContact O-CB 3.33Å; L2579-I2583 VanDerWaalsContact O-CG1 3.32Å; L2579-I2583 WeakPolarHBondContact O-CG1 3.39Å; L2579-I2583 PolarHBondContact O-N 3.09Å; K2580-I2583 PolarHBondContact O-N 3.3Å; I2583-A2585 VanDerWaalsContact C-N 3.33Å; I2583-A2585 PolarHBondContact O-N 3.45Å; I2583-A2586 PolarHBondContact O-N 3.13Å; I2583-C2587 VanDerWaalsContact O-CB 3.26Å; I2583-C2587 WeakPolarHBondContact O-CB 3.41Å; I2583-C2587 PolarHBondContact O-N 3Å; I2583-C2587 VanDerWaalsContact O-N 3.09Å; I2583-C2587 PolarHBondContact O-SG 2.76Å; I2583-C2587 VanDerWaalsContact O-SG 3.36Å; I2583-L2614 HydrophobicContact CD1-CD1 3.92Å; I2583-L2614 HydrophobicContact CG1-CD1 3.97Å; I2583-I2620 HydrophobicContact CD1-CD1 4.13Å; I2583-I2620 HydrophobicContact CD1-CG1 4.5Å; I2583-L2623 HydrophobicContact CD1-CD2 3.58Å; I2583-L2623 VanDerWaalsContact CD1-CD2 3.5Å; I2583-F2624 HydrophobicContact CB-CE2 4.46Å; I2583-F2624 HydrophobicContact CB-CZ 4.32Å; I2583-F2624 HydrophobicContact CD1-CE2 4.29Å; I2583-F2624 HydrophobicContact CG2-CE2 3.96Å; I2583-F2624 HydrophobicContact CG2-CZ 4.05Å; I2583-F2653 HydrophobicContact CG2-CE1 4.3Å; I2583-F2653 HydrophobicContact CG2-CE2 4.17Å; I2583-F2653 HydrophobicContact CG2-CZ 3.5Å; I2583-F2653 VanDerWaalsContact CG2-CZ 3.42Å; I2583-V2657 HydrophobicContact CG2-CG2 3.87Å
2584Q89.6Confident89.2Confident74 Ų7436.4 Ų36.435%0.34620%0.2SC..Hα-helixtrans-63-41.1176.5-75173.6-21.600111.9K2580 Q2581 A2586 C2587 T2588 A2589 F2624 L2632K2580-Q2584 WeakPolarHBondContact O-CB 3.42Å; K2580-Q2584 VanDerWaalsContact O-CG 3.23Å; K2580-Q2584 WeakPolarHBondContact O-CG 3.43Å; K2580-Q2584 PolarHBondContact O-N 3.21Å; Q2581-Q2584 PolarHBondContact O-N 2.91Å; Q2584-A2586 VanDerWaalsContact C-N 3.35Å; Q2584-A2586 PolarHBondContact O-N 2.87Å; Q2584-C2587 PolarHBondContact O-N 3.16Å; Q2584-T2588 WeakPolarHBondContact O-CA 3.35Å; Q2584-T2588 VanDerWaalsContact O-CB 3.26Å; Q2584-T2588 WeakPolarHBondContact O-CB 3.29Å; Q2584-T2588 WeakPolarHBondContact O-CG2 3.25Å; Q2584-T2588 PolarHBondContact O-N 3.11Å; Q2584-T2588 PolarHBondContact O-OG1 2.94Å; Q2584-T2588 VanDerWaalsContact O-OG1 3.11Å; Q2584-A2589 PolarHBondContact O-N 2.89Å; Q2584-F2624 HydrophobicContact CG-CE1 4.37Å; Q2584-F2624 HydrophobicContact CG-CZ 4.35Å; Q2584-L2632 HydrophobicContact CG-CD1 4.19Å; Q2584-L2632 HydrophobicContact CG-CD2 4.13Å
2585A88.6Confident89.5Confident11.6 Ų11.633.3 Ų33.310%0.09618%0.183CC..Hα-helixtrans-63.8-45.5175.600000111.9I2562 Q2581 V2582 I2583 C2587 A2589 E2591 L2593I2562-A2585 HydrophobicContact CD1-CB 4.18Å; Q2581-A2585 VanDerWaalsContact O-CB 3.29Å; Q2581-A2585 WeakPolarHBondContact O-CB 3.42Å; Q2581-A2585 PolarHBondContact O-N 3.29Å; V2582-A2585 PolarHBondContact O-N 3.04Å; I2583-A2585 VanDerWaalsContact C-N 3.33Å; I2583-A2585 PolarHBondContact O-N 3.45Å; A2585-C2587 VanDerWaalsContact C-N 3.31Å; A2585-C2587 PolarHBondContact O-N 3.15Å; A2585-A2589 WeakPolarHBondContact O-CB 3.37Å; A2585-A2589 PolarHBondContact O-N 3.48Å; A2585-E2591 PolarHBondContact O-N 3.07Å; A2585-L2593 HydrophobicContact CB-CD2 3.72Å
2586A89.4Confident89.6Confident0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-64.5-36178.700000112.6V2582 I2583 Q2584 L2593 N2660 L2661V2582-A2586 WeakPolarHBondContact O-CB 3.27Å; V2582-A2586 PolarHBondContact O-N 3.07Å; I2583-A2586 PolarHBondContact O-N 3.13Å; Q2584-A2586 VanDerWaalsContact C-N 3.35Å; Q2584-A2586 PolarHBondContact O-N 2.87Å; A2586-L2593 HydrophobicContact CB-CD2 3.98Å; A2586-L2593 HydrophobicContact CB-CG 4.41Å; A2586-N2660 HydrophobicContact CB-CB 4.25Å; A2586-N2660 VanDerWaalsContact O-CB 3.29Å; A2586-N2660 WeakPolarHBondContact O-CB 3.38Å; A2586-N2660 PolarHBondContact O-ND2 3.2Å; A2586-L2661 HydrophobicContact CB-CB 4.22Å; A2586-L2661 HydrophobicContact CB-CD1 4.47Å
2587C87.7Confident89.7Confident1.8 Ų1.830.1 Ų30.11%0.01217%0.169CC..Hα-helixtrans-89.1-48.7-175.1-152.50000113.8I2583 Q2584 A2585 L2636 F2653 R2656 V2657I2583-C2587 VanDerWaalsContact O-CB 3.26Å; I2583-C2587 WeakPolarHBondContact O-CB 3.41Å; I2583-C2587 PolarHBondContact O-N 3Å; I2583-C2587 VanDerWaalsContact O-N 3.09Å; I2583-C2587 PolarHBondContact O-SG 2.76Å; I2583-C2587 VanDerWaalsContact O-SG 3.36Å; Q2584-C2587 PolarHBondContact O-N 3.16Å; A2585-C2587 VanDerWaalsContact C-N 3.31Å; A2585-C2587 PolarHBondContact O-N 3.15Å; C2587-L2636 VanDerWaalsContact SG-CD1 3.53Å; C2587-L2636 WeakPolarHBondContact SG-CD1 3.45Å; C2587-F2653 HydrophobicContact CB-CD2 4.25Å; C2587-F2653 HydrophobicContact CB-CE2 4.13Å; C2587-F2653 WeakPolarHBondContact SG-CD2 3.47Å; C2587-F2653 WeakPolarHBondContact SG-CE2 3.33Å; C2587-R2656 PolarHBondContact O-NH1 3.49Å; C2587-V2657 HydrophobicContact CB-CG2 4Å; C2587-V2657 WeakPolarHBondContact SG-CG2 3.39Å
2588T81.3Confident89.7Confident65.6 Ų65.628 Ų2840%0.40215%0.153SC..Hα-helixtrans-79.2-41.7-169.6-33.70000112.2Q2584 N2590Q2584-T2588 WeakPolarHBondContact O-CA 3.35Å; Q2584-T2588 VanDerWaalsContact O-CB 3.26Å; Q2584-T2588 WeakPolarHBondContact O-CB 3.29Å; Q2584-T2588 WeakPolarHBondContact O-CG2 3.25Å; Q2584-T2588 PolarHBondContact O-N 3.11Å; Q2584-T2588 PolarHBondContact O-OG1 2.94Å; Q2584-T2588 VanDerWaalsContact O-OG1 3.11Å; T2588-N2590 VanDerWaalsContact C-N 3.29Å; T2588-N2590 PolarHBondContact O-N 2.92Å
2589A77.8Confident89.5Confident47.4 Ų47.428.4 Ų28.439%0.39215%0.153SC..SBendtrans-78.7-14.7178.300000112.6Q2584 A2585 E2591Q2584-A2589 PolarHBondContact O-N 2.89Å; A2585-A2589 WeakPolarHBondContact O-CB 3.37Å; A2585-A2589 PolarHBondContact O-N 3.48Å; A2589-E2591 HydrophobicContact CB-CB 4.25Å; A2589-E2591 HydrophobicContact CB-CG 3.89Å; A2589-E2591 WeakPolarHBondContact O-CG 3.47Å; A2589-E2591 PolarHBondContact O-N 3.27Å; A2589-E2591 VanDerWaalsContact O-N 3.15Å
2590N82.9Confident89.2Confident53 Ų5332.9 Ų32.928%0.28317%0.17SC..  trans51.830.3-171.2-161.338.2000113.4T2588 R2656 N2660T2588-N2590 VanDerWaalsContact C-N 3.29Å; T2588-N2590 PolarHBondContact O-N 2.92Å; N2590-R2656 VanDerWaalsContact CG-CZ 3.49Å; N2590-R2656 VanDerWaalsContact CG-NH1 3.3Å; N2590-R2656 PolarHBondContact ND2-NH2 2.89Å; N2590-R2656 PolarHBondContact OD1-NH1 3.09Å; N2590-N2660 WeakPolarHBondContact CA-ND2 3.48Å; N2590-N2660 PolarHBondContact OD1-ND2 3.22Å
2591E81.4Confident89.1Confident88.8 Ų88.830.9 Ų30.942%0.41516%0.162SC..  trans-101.4133.6-176.5-75.4172.8-173.800110.5R2560 A2585 A2589 L2593R2560-E2591 VanDerWaalsContact CD-OE2 3.25Å; R2560-E2591 WeakPolarHBondContact CD-OE2 3.43Å; R2560-E2591 IonicContact CZ-OE2 3.76Å; R2560-E2591 IonicContact NE-OE2 3.2Å; R2560-E2591 IonicContact NH1-OE1 2.98Å; R2560-E2591 IonicContact NH1-OE2 3.3Å; R2560-E2591 PolarHBondContact NH1-OE2 3.13Å; R2560-E2591 VanDerWaalsContact NH1-OE2 3.14Å; A2585-E2591 PolarHBondContact O-N 3.07Å; A2589-E2591 HydrophobicContact CB-CB 4.25Å; A2589-E2591 HydrophobicContact CB-CG 3.89Å; A2589-E2591 WeakPolarHBondContact O-CG 3.47Å; A2589-E2591 PolarHBondContact O-N 3.27Å; A2589-E2591 VanDerWaalsContact O-N 3.15Å; E2591-L2593 PolarHBondContact O-N 3.15Å
2592P87.3Confident88.9Confident33 Ų3325.8 Ų25.821%0.21414%0.139CC..  trans-62.2122.2171.66.1-6.3000111.3V2477 L2559 R2560 N2660 R2662V2477-P2592 HydrophobicContact CG2-CB 4.44Å; V2477-P2592 HydrophobicContact CG2-CG 4.2Å; L2559-P2592 WeakPolarHBondContact CA-O 3.46Å; L2559-P2592 HydrophobicContact CD2-CB 3.56Å; L2559-P2592 VanDerWaalsContact CD2-CB 3.41Å; L2559-P2592 HydrophobicContact CD2-CG 3.91Å; L2559-P2592 VanDerWaalsContact CD2-CG 3.44Å; R2560-P2592 PolarHBondContact N-O 3.02Å; R2560-P2592 VanDerWaalsContact N-O 3.11Å; P2592-N2660 CarbonylContact C-O 3.58Å; P2592-N2660 VanDerWaalsContact CA-O 3.28Å; P2592-N2660 WeakPolarHBondContact CA-O 3.45Å; P2592-R2662 VanDerWaalsContact CB-NH1 3.34Å
2593L92.5Very high88.6Confident1.2 Ų1.230 Ų301%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-130.4142-174.311380.5000112.1R2560 I2562 V2582 A2585 A2586 E2591 F2595 N2660 L2661 R2662R2560-L2593 HydrophobicContact CB-CB 3.93Å; R2560-L2593 HydrophobicContact CB-CD1 3.83Å; R2560-L2593 HydrophobicContact CG-CB 4.5Å; R2560-L2593 HydrophobicContact CG-CD1 3.66Å; R2560-L2593 CarbonylContact O-C 3.41Å; R2560-L2593 WeakPolarHBondContact O-CA 3.3Å; R2560-L2593 VanDerWaalsContact O-CB 3.29Å; R2560-L2593 WeakPolarHBondContact O-CB 3.25Å; R2560-L2593 WeakPolarHBondContact O-CD1 3.28Å; I2562-L2593 HydrophobicContact CB-CD1 4.16Å; I2562-L2593 HydrophobicContact CD1-CD1 3.99Å; I2562-L2593 HydrophobicContact CD1-CD2 4.04Å; I2562-L2593 HydrophobicContact CD1-CG 4.4Å; I2562-L2593 HydrophobicContact CG1-CD1 3.8Å; V2582-L2593 HydrophobicContact CG1-CD1 4.22Å; V2582-L2593 HydrophobicContact CG1-CD2 4.11Å; V2582-L2593 WeakPolarHBondContact O-CD2 3.27Å; A2585-L2593 HydrophobicContact CB-CD2 3.72Å; A2586-L2593 HydrophobicContact CB-CD2 3.98Å; A2586-L2593 HydrophobicContact CB-CG 4.41Å; E2591-L2593 PolarHBondContact O-N 3.15Å; L2593-F2595 HydrophobicContact CD1-CB 4.21Å; L2593-N2660 PolarHBondContact N-O 3.17Å; L2593-L2661 HydrophobicContact CD1-CD1 3.49Å; L2593-L2661 VanDerWaalsContact CD1-CD1 3.44Å; L2593-L2661 HydrophobicContact CD2-CD1 4.12Å; L2593-L2661 HydrophobicContact CG-CD1 4.39Å; L2593-R2662 PolarHBondContact O-N 3.19Å
2594V94.4Very high88.2Confident2.6 Ų2.632 Ų322%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-101.2119.3173.5177.60000109.3I2550 A2554 L2559 R2560 T2561 I2562 I2596 R2662 I2664I2550-V2594 HydrophobicContact CG2-CG1 3.92Å; A2554-V2594 HydrophobicContact CB-CG2 4.32Å; L2559-V2594 HydrophobicContact CB-CG2 4.01Å; L2559-V2594 HydrophobicContact CD1-CG2 3.71Å; L2559-V2594 HydrophobicContact CG-CG2 4.47Å; R2560-V2594 PolarHBondContact O-N 3.11Å; T2561-V2594 CarbonylContact C-O 3.59Å; T2561-V2594 VanDerWaalsContact CA-O 3.31Å; T2561-V2594 WeakPolarHBondContact CA-O 3.36Å; T2561-V2594 HydrophobicContact CG2-CB 3.97Å; T2561-V2594 HydrophobicContact CG2-CG1 4.25Å; I2562-V2594 PolarHBondContact N-O 3.29Å; V2594-I2596 HydrophobicContact CG1-CG1 3.98Å; V2594-R2662 CarbonylContact C-O 3.36Å; V2594-R2662 WeakPolarHBondContact CA-O 3.41Å; V2594-R2662 HydrophobicContact CG2-CB 4.42Å; V2594-I2664 HydrophobicContact CG1-CD1 3.53Å; V2594-I2664 VanDerWaalsContact CG1-CD1 3.47Å; V2594-I2664 HydrophobicContact CG1-CG1 3.97Å
2595F95.6Very high87.7Confident0.6 Ų0.630.2 Ų30.20%0.00317%0.172CC..EExtended strand (participates in β ladder)trans-103.5111.7174.3178.5-133.3000110.3I2562 L2564 L2579 V2582 L2593 V2597 L2661 R2662 L2663 I2664I2562-F2595 HydrophobicContact CB-CD2 4.39Å; I2562-F2595 HydrophobicContact CG2-CD2 4.23Å; I2562-F2595 CarbonylContact O-C 3.54Å; I2562-F2595 VanDerWaalsContact O-CA 3.32Å; I2562-F2595 WeakPolarHBondContact O-CA 3.44Å; I2562-F2595 WeakPolarHBondContact O-CD2 3.39Å; L2564-F2595 HydrophobicContact CB-CE2 4.14Å; L2564-F2595 HydrophobicContact CB-CZ 4.33Å; L2564-F2595 HydrophobicContact CD1-CE2 4.35Å; L2564-F2595 HydrophobicContact CD1-CZ 4.19Å; L2564-F2595 HydrophobicContact CD2-CE2 3.76Å; L2564-F2595 HydrophobicContact CD2-CZ 3.77Å; L2564-F2595 HydrophobicContact CG-CE2 3.86Å; L2564-F2595 HydrophobicContact CG-CZ 3.91Å; L2579-F2595 HydrophobicContact CD2-CE1 3.8Å; L2579-F2595 HydrophobicContact CD2-CZ 4.07Å; V2582-F2595 HydrophobicContact CG1-CB 4.01Å; V2582-F2595 HydrophobicContact CG1-CD1 4.14Å; V2582-F2595 HydrophobicContact CG1-CD2 4.3Å; V2582-F2595 HydrophobicContact CG1-CG 3.9Å; V2582-F2595 HydrophobicContact CG2-CD1 4.41Å; V2582-F2595 HydrophobicContact CG2-CD2 3.6Å; V2582-F2595 HydrophobicContact CG2-CE1 4.44Å; V2582-F2595 HydrophobicContact CG2-CE2 3.71Å; V2582-F2595 HydrophobicContact CG2-CG 4.04Å; V2582-F2595 HydrophobicContact CG2-CZ 4.22Å; L2593-F2595 HydrophobicContact CD1-CB 4.21Å; F2595-V2597 HydrophobicContact CD1-CG2 3.92Å; F2595-V2597 HydrophobicContact CD2-CG2 4.42Å; F2595-V2597 HydrophobicContact CE1-CG2 3.37Å; F2595-V2597 VanDerWaalsContact CE1-CG2 3.47Å; F2595-V2597 HydrophobicContact CE2-CG2 4Å; F2595-V2597 HydrophobicContact CG-CG2 4.46Å; F2595-V2597 HydrophobicContact CZ-CG2 3.41Å; F2595-V2597 VanDerWaalsContact CZ-CG2 3.46Å; F2595-L2661 HydrophobicContact CB-CD1 3.75Å; F2595-R2662 PolarHBondContact N-O 3.19Å; F2595-L2663 HydrophobicContact CD1-CD1 3.94Å; F2595-L2663 HydrophobicContact CD1-CG 4.12Å; F2595-L2663 HydrophobicContact CE1-CD1 4.34Å; F2595-L2663 CarbonylContact O-C 3.57Å; F2595-L2663 WeakPolarHBondContact O-CA 3.34Å; F2595-I2664 PolarHBondContact O-N 3.06Å
2596I95.2Very high87.4Confident1.2 Ų1.235 Ų351%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-96.3125.3-176.7-49.8176.4000109.6R2547 I2550 T2561 I2562 L2564 V2594 E2598 V2666R2547-I2596 VanDerWaalsContact NH1-CG2 3.26Å; I2550-I2596 HydrophobicContact CB-CD1 4.21Å; I2550-I2596 HydrophobicContact CD1-CD1 4.41Å; I2550-I2596 HydrophobicContact CD1-CG1 4.45Å; I2550-I2596 HydrophobicContact CD1-CG2 4.24Å; I2550-I2596 HydrophobicContact CG2-CD1 3.47Å; I2550-I2596 VanDerWaalsContact CG2-CD1 3.44Å; I2550-I2596 HydrophobicContact CG2-CG1 3.9Å; T2561-I2596 HydrophobicContact CG2-CD1 3.71Å; T2561-I2596 VanDerWaalsContact CG2-CD1 3.49Å; T2561-I2596 HydrophobicContact CG2-CG1 4.15Å; I2562-I2596 PolarHBondContact O-N 3.13Å; L2564-I2596 PolarHBondContact N-O 3.1Å; V2594-I2596 HydrophobicContact CG1-CG1 3.98Å; I2596-E2598 HydrophobicContact CG2-CG 4.36Å; I2596-V2666 HydrophobicContact CG2-CG2 4.39Å
2597V94Very high87.4Confident0.2 Ų0.235.3 Ų35.30%0.00119%0.194CC..EExtended strand (participates in β ladder)trans-127.2125.7174.1-179.80000108.9L2564 F2595 Q2601 L2602 I2611 I2664 L2665 V2666L2564-V2597 HydrophobicContact CB-CG2 4.49Å; L2564-V2597 HydrophobicContact CD1-CG1 4.2Å; L2564-V2597 HydrophobicContact CD1-CG2 4.03Å; L2564-V2597 HydrophobicContact CD2-CG1 4.27Å; L2564-V2597 HydrophobicContact CD2-CG2 4.47Å; L2564-V2597 HydrophobicContact CG-CG2 4.36Å; F2595-V2597 HydrophobicContact CD1-CG2 3.92Å; F2595-V2597 HydrophobicContact CD2-CG2 4.42Å; F2595-V2597 HydrophobicContact CE1-CG2 3.37Å; F2595-V2597 VanDerWaalsContact CE1-CG2 3.47Å; F2595-V2597 HydrophobicContact CE2-CG2 4Å; F2595-V2597 HydrophobicContact CG-CG2 4.46Å; F2595-V2597 HydrophobicContact CZ-CG2 3.41Å; F2595-V2597 VanDerWaalsContact CZ-CG2 3.46Å; V2597-Q2601 VanDerWaalsContact CA-OE1 3.3Å; V2597-L2602 HydrophobicContact CG1-CD1 4Å; V2597-L2602 HydrophobicContact CG1-CD2 3.75Å; V2597-L2602 HydrophobicContact CG1-CG 3.92Å; V2597-I2611 HydrophobicContact CG1-CD1 4.33Å; V2597-I2664 PolarHBondContact N-O 3.28Å; V2597-L2665 HydrophobicContact CB-CD2 3.82Å; V2597-L2665 HydrophobicContact CG1-CD2 4.01Å; V2597-L2665 HydrophobicContact CG2-CD2 4.48Å; V2597-L2665 CarbonylContact O-C 3.41Å; V2597-L2665 WeakPolarHBondContact O-CA 3.38Å; V2597-V2666 PolarHBondContact O-N 3.06Å
2598E92.1Very high87.4Confident16.8 Ų16.835.7 Ų35.78%0.07920%0.195CC..EExtended strand (participates in β ladder)trans-107.3152.2179.6-58.9-178.3117.400110.5R2547 I2596 Y2600 Q2601 V2666 R3222R2547-E2598 VanDerWaalsContact CD-OE1 3.31Å; R2547-E2598 WeakPolarHBondContact CD-OE1 3.39Å; R2547-E2598 IonicContact CZ-OE1 2.66Å; R2547-E2598 IonicContact CZ-OE2 3.49Å; R2547-E2598 IonicContact NE-OE1 3.37Å; R2547-E2598 IonicContact NE-OE2 2.77Å; R2547-E2598 IonicContact NH1-OE1 3.41Å; R2547-E2598 PolarHBondContact NH1-OE1 3.16Å; R2547-E2598 IonicContact NH1-OE2 3.31Å; R2547-E2598 PolarHBondContact NH1-OE2 3.19Å; I2596-E2598 HydrophobicContact CG2-CG 4.36Å; E2598-Y2600 VanDerWaalsContact C-N 3.34Å; E2598-Y2600 HydrophobicContact CB-CD1 3.75Å; E2598-Y2600 HydrophobicContact CB-CE1 3.53Å; E2598-Y2600 VanDerWaalsContact CB-CE1 3.44Å; E2598-Y2600 HydrophobicContact CG-CE1 4.15Å; E2598-Y2600 PolarHBondContact O-N 3.24Å; E2598-Y2600 VanDerWaalsContact OE2-CE1 3.23Å; E2598-Y2600 WeakPolarHBondContact OE2-CE1 3.23Å; E2598-Y2600 VanDerWaalsContact OE2-CZ 3.28Å; E2598-Y2600 PolarHBondContact OE2-OH 3.14Å; E2598-Q2601 HydrophobicContact CB-CG 4.28Å; E2598-Q2601 WeakPolarHBondContact O-CA 3.48Å; E2598-Q2601 VanDerWaalsContact O-CB 3.28Å; E2598-Q2601 WeakPolarHBondContact O-CB 3.37Å; E2598-Q2601 WeakPolarHBondContact O-CG 3.4Å; E2598-Q2601 PolarHBondContact O-N 3.27Å; E2598-Q2601 PolarHBondContact OE2-NE2 2.65Å; E2598-V2666 WeakPolarHBondContact CA-O 3.34Å; E2598-V2666 HydrophobicContact CG-CB 4.09Å; E2598-V2666 HydrophobicContact CG-CG2 4.42Å; E2598-R3222 VanDerWaalsContact CD-NH1 3.26Å; E2598-R3222 IonicContact OE1-CZ 2.72Å; E2598-R3222 VanDerWaalsContact OE1-CZ 3.31Å; E2598-R3222 IonicContact OE1-NH1 3.94Å; E2598-R3222 PolarHBondContact OE1-NH1 3.22Å; E2598-R3222 IonicContact OE1-NH2 2.79Å; E2598-R3222 PolarHBondContact OE1-NH2 3.05Å; E2598-R3222 IonicContact OE2-CZ 3.69Å; E2598-R3222 IonicContact OE2-NH1 2.76Å; E2598-R3222 PolarHBondContact OE2-NH1 3.15Å
2599D88.2Confident87.7Confident34.2 Ų34.236 Ų3618%0.18319%0.194CC..G310 helixtrans-46.3-49.218050.613.4000114.7Q2601 L2602 V2666 L2667 D2668D2599-Q2601 PolarHBondContact O-N 3.27Å; D2599-Q2601 VanDerWaalsContact O-N 3.11Å; D2599-L2602 PolarHBondContact O-N 3.06Å; D2599-V2666 PolarHBondContact N-O 3.13Å; D2599-L2667 HydrophobicContact CB-CD2 4.09Å; D2599-D2668 VanDerWaalsContact OD2-CB 3.31Å; D2599-D2668 WeakPolarHBondContact OD2-CB 3.37Å; D2599-D2668 PolarHBondContact OD2-N 3.12Å
2600Y87.7Confident88.3Confident93 Ų9333.9 Ų33.937%0.36518%0.177SC..G310 helixtrans-64.6-12.4-178.576.3-89.3000113.8I2566 E2598 L2602 P3215 H3218I2566-Y2600 HydrophobicContact CD1-CD2 3.44Å; I2566-Y2600 HydrophobicContact CD1-CE2 3.57Å; I2566-Y2600 VanDerWaalsContact CD1-CE2 3.46Å; I2566-Y2600 HydrophobicContact CD1-CG 4.49Å; I2566-Y2600 VanDerWaalsContact CD1-O 3.29Å; I2566-Y2600 WeakPolarHBondContact CD1-O 3.45Å; I2566-Y2600 HydrophobicContact CG1-CE2 4.27Å; E2598-Y2600 VanDerWaalsContact C-N 3.34Å; E2598-Y2600 HydrophobicContact CB-CD1 3.75Å; E2598-Y2600 HydrophobicContact CB-CE1 3.53Å; E2598-Y2600 VanDerWaalsContact CB-CE1 3.44Å; E2598-Y2600 HydrophobicContact CG-CE1 4.15Å; E2598-Y2600 PolarHBondContact O-N 3.24Å; E2598-Y2600 VanDerWaalsContact OE2-CE1 3.23Å; E2598-Y2600 WeakPolarHBondContact OE2-CE1 3.23Å; E2598-Y2600 VanDerWaalsContact OE2-CZ 3.28Å; E2598-Y2600 PolarHBondContact OE2-OH 3.14Å; Y2600-L2602 VanDerWaalsContact C-N 3.34Å; Y2600-P3215 HydrophobicContact CD2-CB 4.07Å; Y2600-H3218 WeakPolarHBondContact CB-NE2 3.38Å; Y2600-H3218 AromaticContact CD1-CD2 3.84Å; Y2600-H3218 HydrophobicContact CD2-CB 3.91Å; Y2600-H3218 AromaticContact CD2-CD2 3.66Å; Y2600-H3218 AromaticContact CD2-CE1 3.97Å; Y2600-H3218 AromaticContact CD2-CG 3.49Å; Y2600-H3218 VanDerWaalsContact CD2-CG 3.49Å; Y2600-H3218 AromaticContact CD2-ND1 3.71Å; Y2600-H3218 AromaticContact CD2-NE2 3.99Å; Y2600-H3218 HydrophobicContact CE1-CB 4.41Å; Y2600-H3218 HydrophobicContact CE2-CB 3.56Å; Y2600-H3218 AromaticContact CE2-CG 3.71Å; Y2600-H3218 HydrophobicContact CG-CB 4.48Å; Y2600-H3218 AromaticContact CG-CD2 3.49Å; Y2600-H3218 VanDerWaalsContact CG-CD2 3.49Å; Y2600-H3218 AromaticContact CG-CG 3.84Å; Y2600-H3218 AromaticContact CG-NE2 3.71Å
2601Q89.9Confident88.6Confident0.4 Ų0.431.4 Ų31.40%0.00216%0.163CC..G310 helixtrans-87.1-14.6177.2-54.4170.5-20.900112.2S2563 L2564 I2566 V2597 E2598 D2599 L2603S2563-Q2601 PolarHBondContact OG-NE2 2.91Å; L2564-Q2601 HydrophobicContact CB-CB 4.45Å; L2564-Q2601 HydrophobicContact CB-CG 4.41Å; L2564-Q2601 HydrophobicContact CD1-CB 4.17Å; L2564-Q2601 HydrophobicContact CD2-CB 3.96Å; L2564-Q2601 PolarHBondContact O-NE2 3.33Å; I2566-Q2601 VanDerWaalsContact CD1-CA 3.41Å; I2566-Q2601 HydrophobicContact CD1-CB 3.96Å; I2566-Q2601 HydrophobicContact CD1-CG 4.16Å; I2566-Q2601 HydrophobicContact CG1-CB 4.2Å; I2566-Q2601 HydrophobicContact CG1-CG 4.1Å; V2597-Q2601 VanDerWaalsContact CA-OE1 3.3Å; E2598-Q2601 HydrophobicContact CB-CG 4.28Å; E2598-Q2601 WeakPolarHBondContact O-CA 3.48Å; E2598-Q2601 VanDerWaalsContact O-CB 3.28Å; E2598-Q2601 WeakPolarHBondContact O-CB 3.37Å; E2598-Q2601 WeakPolarHBondContact O-CG 3.4Å; E2598-Q2601 PolarHBondContact O-N 3.27Å; E2598-Q2601 PolarHBondContact OE2-NE2 2.65Å; D2599-Q2601 PolarHBondContact O-N 3.27Å; D2599-Q2601 VanDerWaalsContact O-N 3.11Å; Q2601-L2603 PolarHBondContact O-N 3.1Å
2602L87.8Confident88.9Confident14.4 Ų14.430.2 Ų30.28%0.07516%0.155CC..  trans-96.376.8-176.8-61.1173.3000110V2597 D2599 Y2600 S2604 F2607 Y2608 I2611 L2665 L2667V2597-L2602 HydrophobicContact CG1-CD1 4Å; V2597-L2602 HydrophobicContact CG1-CD2 3.75Å; V2597-L2602 HydrophobicContact CG1-CG 3.92Å; D2599-L2602 PolarHBondContact O-N 3.06Å; Y2600-L2602 VanDerWaalsContact C-N 3.34Å; L2602-S2604 VanDerWaalsContact C-N 3.28Å; L2602-S2604 PolarHBondContact O-N 3.23Å; L2602-F2607 HydrophobicContact CD2-CB 3.82Å; L2602-F2607 HydrophobicContact CD2-CD1 4.39Å; L2602-Y2608 HydrophobicContact CB-CE2 4.05Å; L2602-Y2608 HydrophobicContact CD1-CD1 4.35Å; L2602-Y2608 HydrophobicContact CD1-CE1 3.63Å; L2602-Y2608 VanDerWaalsContact CD1-CE1 3.49Å; L2602-Y2608 HydrophobicContact CD1-CE2 3.99Å; L2602-Y2608 VanDerWaalsContact CD1-CZ 3.45Å; L2602-Y2608 VanDerWaalsContact CD1-OH 3.23Å; L2602-Y2608 WeakPolarHBondContact CD1-OH 3.29Å; L2602-Y2608 HydrophobicContact CG-CE2 4.45Å; L2602-I2611 HydrophobicContact CD1-CD1 4.33Å; L2602-I2611 HydrophobicContact CD2-CD1 3.89Å; L2602-L2665 HydrophobicContact CD1-CD2 4.46Å; L2602-L2667 HydrophobicContact CD1-CD2 4.35Å
2603L85.3Confident89Confident88.4 Ų88.429.6 Ų29.646%0.46315%0.152SC..  trans-64.5-24.2-171.3-57.2-178.6000114.6I2566 Y2570 Q2601 F2607 P3215I2566-L2603 HydrophobicContact CD1-CD2 3.97Å; I2566-L2603 HydrophobicContact CD1-CG 4.38Å; Y2570-L2603 HydrophobicContact CD1-CD1 4.14Å; Y2570-L2603 VanDerWaalsContact O-CD1 3.25Å; Y2570-L2603 WeakPolarHBondContact O-CD1 3.3Å; Q2601-L2603 PolarHBondContact O-N 3.1Å; L2603-F2607 HydrophobicContact CB-CE1 4.45Å; L2603-F2607 HydrophobicContact CB-CE2 4.34Å; L2603-F2607 HydrophobicContact CB-CZ 4.32Å; L2603-F2607 HydrophobicContact CD1-CZ 4.47Å; L2603-F2607 HydrophobicContact CG-CE1 4.37Å; L2603-F2607 HydrophobicContact CG-CZ 4.42Å; L2603-P3215 HydrophobicContact CD2-CB 4.35Å; L2603-P3215 HydrophobicContact CD2-CG 3.5Å; L2603-P3215 VanDerWaalsContact CD2-CG 3.48Å; L2603-P3215 HydrophobicContact CG-CG 4.43Å
2604S83.1Confident88.9Confident44 Ų4429.8 Ų29.831%0.30815%0.153SC..SBendtrans-146.4160.3177.877.50000111.4L2602 E2606 F2607L2602-S2604 VanDerWaalsContact C-N 3.28Å; L2602-S2604 PolarHBondContact O-N 3.23Å; S2604-E2606 PolarHBondContact O-N 3.07Å; S2604-E2606 VanDerWaalsContact O-N 3.12Å; S2604-F2607 WeakPolarHBondContact O-CB 3.28Å; S2604-F2607 PolarHBondContact O-N 3.12Å; S2604-F2607 VanDerWaalsContact O-N 3.14Å; S2604-F2607 VanDerWaalsContact OG-CD2 3.27Å; S2604-F2607 WeakPolarHBondContact OG-CD2 3.38Å; S2604-F2607 WeakPolarHBondContact OG-CE2 3.17Å
2605A79.2Confident88.5Confident35.2 Ų35.230.8 Ų30.829%0.29116%0.158SC..G310 helixtrans-58.2-30.717800000112.9F2607 Y2608 Y2681A2605-F2607 PolarHBondContact O-N 3.15Å; A2605-F2607 VanDerWaalsContact O-N 3.08Å; A2605-Y2608 WeakPolarHBondContact O-CB 3.43Å; A2605-Y2608 WeakPolarHBondContact O-CD2 3.35Å; A2605-Y2608 PolarHBondContact O-N 3.22Å; A2605-Y2608 VanDerWaalsContact O-N 3.09Å; A2605-Y2681 HydrophobicContact CB-CE2 4.05Å; A2605-Y2681 WeakPolarHBondContact CB-OH 3.49Å; A2605-Y2681 WeakPolarHBondContact O-CE2 3.29Å; A2605-Y2681 PolarHBondContact O-OH 3.2Å
2606E83.1Confident87.9Confident112.8 Ų112.835.1 Ų35.153%0.52718%0.177SC..G310 helixtrans-62.8-19.6179.4-59178.3175.300113.2S2604 Y2608 D2609 P2610S2604-E2606 PolarHBondContact O-N 3.07Å; S2604-E2606 VanDerWaalsContact O-N 3.12Å; E2606-Y2608 VanDerWaalsContact C-N 3.27Å; E2606-Y2608 PolarHBondContact O-N 3.1Å; E2606-D2609 PolarHBondContact O-N 3.22Å; E2606-P2610 VanDerWaalsContact O-CD 3.26Å; E2606-P2610 WeakPolarHBondContact O-CD 3.31Å
2607F89Confident87.4Confident6.4 Ų6.437.7 Ų37.73%0.02819%0.194CC..G310 helixtrans-71.3-18.5178.3-77.1-135.4000112.3Y2570 Y2572 Y2575 L2602 L2603 S2604 A2605 P2610 I2611Y2570-F2607 HydrophobicContact CD1-CE1 4.3Å; Y2570-F2607 HydrophobicContact CD1-CZ 4.48Å; Y2570-F2607 AromaticContact CE1-CE1 3.95Å; Y2570-F2607 HydrophobicContact CE1-CE1 3.98Å; Y2570-F2607 HydrophobicContact CE1-CZ 4.49Å; Y2572-F2607 AromaticContact CD2-CD2 3.79Å; Y2572-F2607 HydrophobicContact CD2-CD2 3.79Å; Y2572-F2607 AromaticContact CD2-CE2 3.72Å; Y2572-F2607 HydrophobicContact CD2-CE2 3.72Å; Y2572-F2607 HydrophobicContact CD2-CG 4.44Å; Y2572-F2607 HydrophobicContact CD2-CZ 4.37Å; Y2572-F2607 HydrophobicContact CE2-CD2 4.34Å; Y2572-F2607 HydrophobicContact CG-CE2 4.3Å; Y2575-F2607 HydrophobicContact CD1-CB 4.32Å; Y2575-F2607 AromaticContact CD1-CD1 3.71Å; Y2575-F2607 HydrophobicContact CD1-CD1 3.71Å; Y2575-F2607 HydrophobicContact CD1-CD2 4.37Å; Y2575-F2607 HydrophobicContact CD1-CE1 4.09Å; Y2575-F2607 AromaticContact CD1-CG 3.89Å; Y2575-F2607 HydrophobicContact CD1-CG 3.89Å; Y2575-F2607 HydrophobicContact CD1-CZ 4.48Å; Y2575-F2607 AromaticContact CD2-CD1 3.93Å; Y2575-F2607 HydrophobicContact CD2-CD1 3.93Å; Y2575-F2607 HydrophobicContact CD2-CE1 4.13Å; Y2575-F2607 HydrophobicContact CE1-CB 3.89Å; Y2575-F2607 AromaticContact CE1-CD1 3.94Å; Y2575-F2607 HydrophobicContact CE1-CD1 3.96Å; Y2575-F2607 AromaticContact CE1-CG 3.9Å; Y2575-F2607 HydrophobicContact CE1-CG 3.97Å; Y2575-F2607 WeakPolarHBondContact CE1-O 3.46Å; Y2575-F2607 HydrophobicContact CE2-CD1 4.21Å; Y2575-F2607 AromaticContact CG-CD1 3.68Å; Y2575-F2607 HydrophobicContact CG-CD1 3.68Å; Y2575-F2607 AromaticContact CG-CE1 3.73Å; Y2575-F2607 HydrophobicContact CG-CE1 3.73Å; Y2575-F2607 HydrophobicContact CG-CG 4.34Å; Y2575-F2607 HydrophobicContact CG-CZ 4.36Å; Y2575-F2607 PolarHBondContact OH-O 3.17Å; L2602-F2607 HydrophobicContact CD2-CB 3.82Å; L2602-F2607 HydrophobicContact CD2-CD1 4.39Å; L2603-F2607 HydrophobicContact CB-CE1 4.45Å; L2603-F2607 HydrophobicContact CB-CE2 4.34Å; L2603-F2607 HydrophobicContact CB-CZ 4.32Å; L2603-F2607 HydrophobicContact CD1-CZ 4.47Å; L2603-F2607 HydrophobicContact CG-CE1 4.37Å; L2603-F2607 HydrophobicContact CG-CZ 4.42Å; S2604-F2607 WeakPolarHBondContact O-CB 3.28Å; S2604-F2607 PolarHBondContact O-N 3.12Å; S2604-F2607 VanDerWaalsContact O-N 3.14Å; S2604-F2607 VanDerWaalsContact OG-CD2 3.27Å; S2604-F2607 WeakPolarHBondContact OG-CD2 3.38Å; S2604-F2607 WeakPolarHBondContact OG-CE2 3.17Å; A2605-F2607 PolarHBondContact O-N 3.15Å; A2605-F2607 VanDerWaalsContact O-N 3.08Å; F2607-P2610 WeakPolarHBondContact O-CD 3.33Å; F2607-I2611 WeakPolarHBondContact O-CG1 3.46Å
2608Y87.5Confident87Confident11.4 Ų11.437.6 Ų37.65%0.04519%0.194CC..Hα-helixtrans-79.5-24.3176.2-70.1-90.7000113L2602 A2605 E2606 I2611 Y2612 V2677 Y2681L2602-Y2608 HydrophobicContact CB-CE2 4.05Å; L2602-Y2608 HydrophobicContact CD1-CD1 4.35Å; L2602-Y2608 HydrophobicContact CD1-CE1 3.63Å; L2602-Y2608 VanDerWaalsContact CD1-CE1 3.49Å; L2602-Y2608 HydrophobicContact CD1-CE2 3.99Å; L2602-Y2608 VanDerWaalsContact CD1-CZ 3.45Å; L2602-Y2608 VanDerWaalsContact CD1-OH 3.23Å; L2602-Y2608 WeakPolarHBondContact CD1-OH 3.29Å; L2602-Y2608 HydrophobicContact CG-CE2 4.45Å; A2605-Y2608 WeakPolarHBondContact O-CB 3.43Å; A2605-Y2608 WeakPolarHBondContact O-CD2 3.35Å; A2605-Y2608 PolarHBondContact O-N 3.22Å; A2605-Y2608 VanDerWaalsContact O-N 3.09Å; E2606-Y2608 VanDerWaalsContact C-N 3.27Å; E2606-Y2608 PolarHBondContact O-N 3.1Å; Y2608-I2611 WeakPolarHBondContact O-CB 3.47Å; Y2608-I2611 PolarHBondContact O-N 3.12Å; Y2608-I2611 VanDerWaalsContact O-N 3.16Å; Y2608-Y2612 WeakPolarHBondContact O-CB 3.22Å; Y2608-Y2612 PolarHBondContact O-N 3.33Å; Y2608-V2677 HydrophobicContact CD1-CG1 3.97Å; Y2608-V2677 VanDerWaalsContact CD1-CG1 3.49Å; Y2608-V2677 HydrophobicContact CD2-CG1 4.17Å; Y2608-V2677 HydrophobicContact CD2-CG2 4.08Å; Y2608-V2677 HydrophobicContact CE1-CG1 3.5Å; Y2608-V2677 VanDerWaalsContact CE1-CG1 3.47Å; Y2608-V2677 HydrophobicContact CE2-CB 4.45Å; Y2608-V2677 HydrophobicContact CE2-CG1 3.87Å; Y2608-V2677 HydrophobicContact CE2-CG2 4Å; Y2608-V2677 HydrophobicContact CG-CG1 3.93Å; Y2608-V2677 HydrophobicContact CG-CG2 4.31Å; Y2608-V2677 VanDerWaalsContact CZ-CG1 3.42Å; Y2608-V2677 WeakPolarHBondContact OH-CG1 3.3Å; Y2608-Y2681 VanDerWaalsContact CB-CD1 3.5Å; Y2608-Y2681 VanDerWaalsContact CB-CE2 3.46Å; Y2608-Y2681 HydrophobicContact CD1-CD2 4.27Å; Y2608-Y2681 HydrophobicContact CD1-CG 4.32Å; Y2608-Y2681 AromaticContact CD2-CD2 3.97Å; Y2608-Y2681 HydrophobicContact CD2-CD2 4.01Å; Y2608-Y2681 AromaticContact CD2-CE2 3.87Å; Y2608-Y2681 HydrophobicContact CD2-CE2 4.03Å; Y2608-Y2681 HydrophobicContact CG-CD1 4.4Å; Y2608-Y2681 AromaticContact CG-CD2 3.74Å; Y2608-Y2681 HydrophobicContact CG-CD2 3.83Å; Y2608-Y2681 AromaticContact CG-CE2 3.82Å; Y2608-Y2681 HydrophobicContact CG-CE2 4.07Å; Y2608-Y2681 AromaticContact CG-CG 3.95Å; Y2608-Y2681 HydrophobicContact CG-CG 3.98Å
2609D87Confident86.8Confident71.6 Ų71.639.2 Ų39.238%0.38320%0.202SC..Hα-helixtrans-61.4-46.3-179-62.5-40.6000112.1E2606 I2611 Y2612 S2613 R2680 Y2681E2606-D2609 PolarHBondContact O-N 3.22Å; D2609-I2611 VanDerWaalsContact C-N 3.33Å; D2609-I2611 PolarHBondContact O-N 3.13Å; D2609-Y2612 PolarHBondContact O-N 3.15Å; D2609-S2613 WeakPolarHBondContact O-CB 3.26Å; D2609-S2613 PolarHBondContact O-N 2.99Å; D2609-R2680 IonicContact OD1-NH2 2.88Å; D2609-R2680 PolarHBondContact OD1-NH2 3.47Å; D2609-R2680 IonicContact OD2-NH2 2.61Å; D2609-R2680 PolarHBondContact OD2-NH2 3.38Å; D2609-Y2681 VanDerWaalsContact OD1-CE1 3.3Å; D2609-Y2681 WeakPolarHBondContact OD1-CE1 3.32Å; D2609-Y2681 VanDerWaalsContact OD1-CZ 3.24Å; D2609-Y2681 PolarHBondContact OD1-OH 3.12Å
2610P90.4Very high86.9Confident2.4 Ų2.438.4 Ų38.42%0.01620%0.197CC..Hα-helixtrans-63.1-37173.5-2536.6000113.8Y2572 Y2575 L2579 E2606 F2607 S2613 L2614 I2620Y2572-P2610 HydrophobicContact CE2-CG 4.03Å; Y2572-P2610 VanDerWaalsContact OH-CG 3.26Å; Y2572-P2610 WeakPolarHBondContact OH-CG 3.33Å; Y2575-P2610 HydrophobicContact CE1-CB 4.26Å; Y2575-P2610 HydrophobicContact CE1-CG 4.03Å; L2579-P2610 HydrophobicContact CD1-CB 3.58Å; L2579-P2610 HydrophobicContact CD1-CG 4.3Å; E2606-P2610 VanDerWaalsContact O-CD 3.26Å; E2606-P2610 WeakPolarHBondContact O-CD 3.31Å; F2607-P2610 WeakPolarHBondContact O-CD 3.33Å; P2610-S2613 PolarHBondContact O-N 3.08Å; P2610-L2614 VanDerWaalsContact O-CB 3.24Å; P2610-L2614 WeakPolarHBondContact O-CB 3.42Å; P2610-L2614 WeakPolarHBondContact O-CG 3.37Å; P2610-L2614 PolarHBondContact O-N 3.22Å; P2610-I2620 HydrophobicContact CB-CD1 3.67Å; P2610-I2620 HydrophobicContact CB-CG1 4.07Å; P2610-I2620 HydrophobicContact CB-CG2 4.05Å; P2610-I2620 HydrophobicContact CG-CG2 4.45Å; P2610-I2620 WeakPolarHBondContact O-CG1 3.42Å
2611I90.5Very high86.7Confident0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-63.1-48.7178.4-65.3171.4000109.8Y2575 V2597 L2602 F2607 Y2608 D2609 S2613 L2614 L2615 L2663 L2665Y2575-I2611 WeakPolarHBondContact OH-CD1 3.39Å; Y2575-I2611 VanDerWaalsContact OH-CG1 3.22Å; Y2575-I2611 WeakPolarHBondContact OH-CG1 3.34Å; V2597-I2611 HydrophobicContact CG1-CD1 4.33Å; L2602-I2611 HydrophobicContact CD1-CD1 4.33Å; L2602-I2611 HydrophobicContact CD2-CD1 3.89Å; F2607-I2611 WeakPolarHBondContact O-CG1 3.46Å; Y2608-I2611 WeakPolarHBondContact O-CB 3.47Å; Y2608-I2611 PolarHBondContact O-N 3.12Å; Y2608-I2611 VanDerWaalsContact O-N 3.16Å; D2609-I2611 VanDerWaalsContact C-N 3.33Å; D2609-I2611 PolarHBondContact O-N 3.13Å; I2611-S2613 VanDerWaalsContact C-N 3.33Å; I2611-S2613 PolarHBondContact O-N 3.12Å; I2611-L2614 PolarHBondContact O-N 3.05Å; I2611-L2615 HydrophobicContact CG2-CD1 3.89Å; I2611-L2615 HydrophobicContact CG2-CG 4.37Å; I2611-L2615 WeakPolarHBondContact O-CB 3.44Å; I2611-L2615 VanDerWaalsContact O-CG 3.29Å; I2611-L2615 WeakPolarHBondContact O-CG 3.3Å; I2611-L2615 PolarHBondContact O-N 2.92Å; I2611-L2663 HydrophobicContact CG1-CD1 4.43Å; I2611-L2663 HydrophobicContact CG2-CD1 3.87Å; I2611-L2663 HydrophobicContact CG2-CD2 4.04Å; I2611-L2665 HydrophobicContact CD1-CD2 4.13Å; I2611-L2665 HydrophobicContact CG2-CD1 4.28Å; I2611-L2665 HydrophobicContact CG2-CD2 4.39Å
2612Y87.6Confident86.5Confident63.4 Ų63.441.8 Ų41.825%0.24924%0.244CC..Hα-helixtrans-59.4-46.7177.6173.9-120.8000111.8Y2608 D2609 L2614 L2615 K2616 Y2681 D2683 C2684 E2687Y2608-Y2612 WeakPolarHBondContact O-CB 3.22Å; Y2608-Y2612 PolarHBondContact O-N 3.33Å; D2609-Y2612 PolarHBondContact O-N 3.15Å; Y2612-L2614 VanDerWaalsContact C-N 3.31Å; Y2612-L2614 PolarHBondContact O-N 3.14Å; Y2612-L2615 PolarHBondContact O-N 3.04Å; Y2612-K2616 HydrophobicContact CD2-CB 4.49Å; Y2612-K2616 HydrophobicContact CE1-CD 4.09Å; Y2612-K2616 HydrophobicContact CE2-CB 4.3Å; Y2612-K2616 HydrophobicContact CE2-CD 4.13Å; Y2612-K2616 VanDerWaalsContact O-CB 3.29Å; Y2612-K2616 WeakPolarHBondContact O-CB 3.25Å; Y2612-K2616 PolarHBondContact O-N 3.21Å; Y2612-K2616 WeakPolarHBondContact OH-CD 3.47Å; Y2612-K2616 PolarHBondContact OH-NZ 3.35Å; Y2612-K2616 VanDerWaalsContact OH-NZ 3.12Å; Y2612-Y2681 HydrophobicContact CD1-CD1 4.46Å; Y2612-Y2681 HydrophobicContact CG-CD1 4.26Å; Y2612-D2683 HydrophobicContact CD2-CB 4.01Å; Y2612-D2683 HydrophobicContact CE1-CB 4.38Å; Y2612-D2683 HydrophobicContact CE2-CB 3.52Å; Y2612-D2683 VanDerWaalsContact CE2-CB 3.45Å; Y2612-D2683 VanDerWaalsContact CZ-CB 3.47Å; Y2612-D2683 WeakPolarHBondContact OH-CB 3.46Å; Y2612-D2683 PolarHBondContact OH-OD2 2.91Å; Y2612-C2684 WeakPolarHBondContact CB-SG 3.45Å; Y2612-C2684 HydrophobicContact CD2-CB 4.14Å; Y2612-C2684 HydrophobicContact CE2-CB 4.31Å; Y2612-E2687 HydrophobicContact CE2-CG 4.37Å
2613S89.2Confident86.6Confident20.8 Ų20.841.5 Ų41.515%0.14524%0.242CC..Hα-helixtrans-60.4-42.2177.7-169.60000112D2609 P2610 I2611 K2616 C2617 G2618 E2619 P2621D2609-S2613 WeakPolarHBondContact O-CB 3.26Å; D2609-S2613 PolarHBondContact O-N 2.99Å; P2610-S2613 PolarHBondContact O-N 3.08Å; I2611-S2613 VanDerWaalsContact C-N 3.33Å; I2611-S2613 PolarHBondContact O-N 3.12Å; S2613-K2616 PolarHBondContact O-N 2.95Å; S2613-C2617 WeakPolarHBondContact O-CA 3.29Å; S2613-C2617 WeakPolarHBondContact O-CB 3.43Å; S2613-C2617 PolarHBondContact O-N 2.99Å; S2613-G2618 PolarHBondContact O-N 2.91Å; S2613-E2619 CarbonylContact C-O 3.48Å; S2613-E2619 WeakPolarHBondContact CB-O 3.36Å; S2613-E2619 VanDerWaalsContact O-O 3.1Å; S2613-E2619 PolarHBondContact OG-O 3.14Å; S2613-P2621 VanDerWaalsContact OG-CD 3.26Å; S2613-P2621 WeakPolarHBondContact OG-CD 3.33Å
2614L89.8Confident86.8Confident6.2 Ų6.238.8 Ų38.83%0.03223%0.226CC..Hα-helixtrans-65.6-43.9179-159.172.5000112.1L2579 I2583 P2610 I2611 Y2612 G2618 E2619 I2620 V2657 L2661 L2663L2579-L2614 HydrophobicContact CD2-CD2 4.42Å; I2583-L2614 HydrophobicContact CD1-CD1 3.92Å; I2583-L2614 HydrophobicContact CG1-CD1 3.97Å; P2610-L2614 VanDerWaalsContact O-CB 3.24Å; P2610-L2614 WeakPolarHBondContact O-CB 3.42Å; P2610-L2614 WeakPolarHBondContact O-CG 3.37Å; P2610-L2614 PolarHBondContact O-N 3.22Å; I2611-L2614 PolarHBondContact O-N 3.05Å; Y2612-L2614 VanDerWaalsContact C-N 3.31Å; Y2612-L2614 PolarHBondContact O-N 3.14Å; L2614-G2618 VanDerWaalsContact O-CA 3.23Å; L2614-G2618 WeakPolarHBondContact O-CA 3.41Å; L2614-G2618 PolarHBondContact O-N 3.23Å; L2614-E2619 PolarHBondContact N-O 2.93Å; L2614-I2620 HydrophobicContact CB-CD1 4.34Å; L2614-I2620 HydrophobicContact CB-CG1 4.22Å; L2614-I2620 HydrophobicContact CD1-CD1 3.64Å; L2614-I2620 HydrophobicContact CD1-CG1 4.28Å; L2614-I2620 HydrophobicContact CD2-CD1 4.27Å; L2614-I2620 HydrophobicContact CD2-CG1 3.95Å; L2614-I2620 HydrophobicContact CG-CD1 3.61Å; L2614-I2620 HydrophobicContact CG-CG1 3.67Å; L2614-V2657 HydrophobicContact CD1-CG1 3.82Å; L2614-V2657 HydrophobicContact CD2-CG1 4.27Å; L2614-L2661 HydrophobicContact CD1-CD2 4.03Å; L2614-L2661 HydrophobicContact CD2-CD2 3.5Å; L2614-L2661 VanDerWaalsContact CD2-CD2 3.45Å; L2614-L2661 HydrophobicContact CG-CD2 3.68Å; L2614-L2663 HydrophobicContact CD2-CD1 4.36Å
2615L87.1Confident87.1Confident24.4 Ų24.442.5 Ų42.513%0.12824%0.237CC..Hα-helixtrans-63.1-46.8175.9-71.3168.6000111.6S2535 I2611 Y2612 L2663 C2684 E2687 C2688S2535-L2615 VanDerWaalsContact OG-CD2 3.31Å; S2535-L2615 WeakPolarHBondContact OG-CD2 3.36Å; I2611-L2615 HydrophobicContact CG2-CD1 3.89Å; I2611-L2615 HydrophobicContact CG2-CG 4.37Å; I2611-L2615 WeakPolarHBondContact O-CB 3.44Å; I2611-L2615 VanDerWaalsContact O-CG 3.29Å; I2611-L2615 WeakPolarHBondContact O-CG 3.3Å; I2611-L2615 PolarHBondContact O-N 2.92Å; Y2612-L2615 PolarHBondContact O-N 3.04Å; L2615-L2663 HydrophobicContact CD1-CD2 4.34Å; L2615-L2663 HydrophobicContact CD2-CB 4.12Å; L2615-L2663 HydrophobicContact CD2-CD1 4.45Å; L2615-L2663 HydrophobicContact CD2-CD2 4.4Å; L2615-L2663 HydrophobicContact CG-CD1 4.49Å; L2615-C2684 HydrophobicContact CD1-CB 4.47Å; L2615-C2684 VanDerWaalsContact CD1-SG 3.5Å; L2615-C2684 WeakPolarHBondContact CD1-SG 3.42Å; L2615-E2687 HydrophobicContact CB-CB 4.04Å; L2615-C2688 VanDerWaalsContact CD1-SG 3.56Å
2616K82.9Confident87.3Confident89.2 Ų89.245.3 Ų45.339%0.38825%0.252SS..Hα-helixtrans-76.1-44.1-173.6-169136.9-170.7171.20113.3Y2612 S2613 K2658 E2687Y2612-K2616 HydrophobicContact CD2-CB 4.49Å; Y2612-K2616 HydrophobicContact CE1-CD 4.09Å; Y2612-K2616 HydrophobicContact CE2-CB 4.3Å; Y2612-K2616 HydrophobicContact CE2-CD 4.13Å; Y2612-K2616 VanDerWaalsContact O-CB 3.29Å; Y2612-K2616 WeakPolarHBondContact O-CB 3.25Å; Y2612-K2616 PolarHBondContact O-N 3.21Å; Y2612-K2616 WeakPolarHBondContact OH-CD 3.47Å; Y2612-K2616 PolarHBondContact OH-NZ 3.35Å; Y2612-K2616 VanDerWaalsContact OH-NZ 3.12Å; S2613-K2616 PolarHBondContact O-N 2.95Å; K2616-K2658 VanDerWaalsContact O-CE 3.27Å; K2616-K2658 WeakPolarHBondContact O-CE 3.28Å; K2616-K2658 PolarHBondContact O-NZ 3.2Å; K2616-E2687 HydrophobicContact CB-CG 4.41Å; K2616-E2687 VanDerWaalsContact CD-CD 3.41Å; K2616-E2687 HydrophobicContact CD-CG 3.98Å; K2616-E2687 WeakPolarHBondContact CD-OE1 3.48Å; K2616-E2687 WeakPolarHBondContact CD-OE2 3.3Å; K2616-E2687 IonicContact NZ-OE1 2.98Å; K2616-E2687 PolarHBondContact NZ-OE1 3.12Å; K2616-E2687 IonicContact NZ-OE2 3.21Å; K2616-E2687 PolarHBondContact NZ-OE2 3.31Å; K2616-E2687 VanDerWaalsContact NZ-OE2 3.15Å
2617C84.4Confident87.6Confident55.6 Ų55.647.3 Ų47.338%0.37626%0.261SS..Hα-helixtrans-115-16.1-169.6-61.10000113.5S2613 E2619 K2658S2613-C2617 WeakPolarHBondContact O-CA 3.29Å; S2613-C2617 WeakPolarHBondContact O-CB 3.43Å; S2613-C2617 PolarHBondContact O-N 2.99Å; C2617-E2619 VanDerWaalsContact C-N 3.28Å; C2617-E2619 HydrophobicContact CB-CG 3.7Å; C2617-K2658 VanDerWaalsContact O-CE 3.25Å; C2617-K2658 WeakPolarHBondContact O-CE 3.36Å
2618G85.4Confident87.5Confident0 Ų050.1 Ų50.10%028%0.275CS..SBendtrans76.313.7-172.500000113.2S2613 L2614 V2657 K2658S2613-G2618 PolarHBondContact O-N 2.91Å; L2614-G2618 VanDerWaalsContact O-CA 3.23Å; L2614-G2618 WeakPolarHBondContact O-CA 3.41Å; L2614-G2618 PolarHBondContact O-N 3.23Å; G2618-V2657 WeakPolarHBondContact O-CG1 3.4Å; G2618-K2658 VanDerWaalsContact N-CE 3.32Å
2619E86.8Confident87.5Confident49.4 Ų49.450.7 Ų50.723%0.23128%0.278CS..SBendtrans-148.2163.9-176.263.6176.3-165.900111.6S2613 L2614 C2617 Y2650 T2654S2613-E2619 CarbonylContact C-O 3.48Å; S2613-E2619 WeakPolarHBondContact CB-O 3.36Å; S2613-E2619 VanDerWaalsContact O-O 3.1Å; S2613-E2619 PolarHBondContact OG-O 3.14Å; L2614-E2619 PolarHBondContact N-O 2.93Å; C2617-E2619 VanDerWaalsContact C-N 3.28Å; C2617-E2619 HydrophobicContact CB-CG 3.7Å; E2619-Y2650 WeakPolarHBondContact OE2-CE1 3.44Å; E2619-Y2650 PolarHBondContact OE2-OH 2.96Å; E2619-T2654 HydrophobicContact CB-CG2 3.98Å; E2619-T2654 HydrophobicContact CG-CG2 4.42Å; E2619-T2654 WeakPolarHBondContact OE2-CG2 3.41Å
2620I90.8Very high87.5Confident17.2 Ų17.253 Ų539%0.08829%0.287CS..  trans-127.4111.1172.6-61.1162.5000107.6L2579 I2583 P2610 L2614 G2622 L2623L2579-I2620 HydrophobicContact CB-CD1 4.21Å; L2579-I2620 HydrophobicContact CD1-CD1 3.75Å; L2579-I2620 HydrophobicContact CD2-CD1 4.49Å; L2579-I2620 HydrophobicContact CG-CD1 4.38Å; I2583-I2620 HydrophobicContact CD1-CD1 4.13Å; I2583-I2620 HydrophobicContact CD1-CG1 4.5Å; P2610-I2620 HydrophobicContact CB-CD1 3.67Å; P2610-I2620 HydrophobicContact CB-CG1 4.07Å; P2610-I2620 HydrophobicContact CB-CG2 4.05Å; P2610-I2620 HydrophobicContact CG-CG2 4.45Å; P2610-I2620 WeakPolarHBondContact O-CG1 3.42Å; L2614-I2620 HydrophobicContact CB-CD1 4.34Å; L2614-I2620 HydrophobicContact CB-CG1 4.22Å; L2614-I2620 HydrophobicContact CD1-CD1 3.64Å; L2614-I2620 HydrophobicContact CD1-CG1 4.28Å; L2614-I2620 HydrophobicContact CD2-CD1 4.27Å; L2614-I2620 HydrophobicContact CD2-CG1 3.95Å; L2614-I2620 HydrophobicContact CG-CD1 3.61Å; L2614-I2620 HydrophobicContact CG-CG1 3.67Å; I2620-G2622 PolarHBondContact O-N 3.07Å; I2620-L2623 HydrophobicContact CB-CB 3.84Å; I2620-L2623 HydrophobicContact CB-CD2 4.11Å; I2620-L2623 HydrophobicContact CB-CG 4.48Å; I2620-L2623 HydrophobicContact CD1-CD2 3.93Å; I2620-L2623 HydrophobicContact CG1-CD2 4.44Å; I2620-L2623 HydrophobicContact CG2-CB 3.96Å; I2620-L2623 VanDerWaalsContact O-CB 3.28Å; I2620-L2623 WeakPolarHBondContact O-CB 3.33Å; I2620-L2623 PolarHBondContact O-N 3.43Å; I2620-L2623 VanDerWaalsContact O-N 3.12Å
2621P84.3Confident87.4Confident96.2 Ų96.256.1 Ų56.163%0.62531%0.307SS*.THydrogen-bonded Turntrans-55.9130.4-179.9-19.123.2000112.1S2613 L2623S2613-P2621 VanDerWaalsContact OG-CD 3.26Å; S2613-P2621 WeakPolarHBondContact OG-CD 3.33Å; P2621-L2623 PolarHBondContact O-N 3.1Å
2622G85.1Confident87.1Confident69.6 Ų69.657.2 Ų57.272%0.71831%0.312SS*.THydrogen-bonded Turntrans69.713.3-179.900000115.2I2620I2620-G2622 PolarHBondContact O-N 3.07Å
2623L90.3Very high87.2Confident8 Ų855.4 Ų55.44%0.04231%0.307CS..SBendtrans-70.9-51.8172.1-176.369.5000111.2K2576 L2579 K2580 I2583 I2620 P2621K2576-L2623 HydrophobicContact CB-CD1 3.74Å; K2576-L2623 HydrophobicContact CD-CD1 4.29Å; K2576-L2623 HydrophobicContact CG-CD1 3.82Å; L2579-L2623 HydrophobicContact CB-CD1 4.46Å; L2579-L2623 HydrophobicContact CB-CD2 4.33Å; K2580-L2623 WeakPolarHBondContact CE-O 3.33Å; K2580-L2623 HydrophobicContact CG-CD1 4.08Å; K2580-L2623 HydrophobicContact CG-CD2 4.02Å; K2580-L2623 HydrophobicContact CG-CG 3.82Å; K2580-L2623 PolarHBondContact NZ-O 3.18Å; K2580-L2623 VanDerWaalsContact NZ-O 3.08Å; I2583-L2623 HydrophobicContact CD1-CD2 3.58Å; I2583-L2623 VanDerWaalsContact CD1-CD2 3.5Å; I2620-L2623 HydrophobicContact CB-CB 3.84Å; I2620-L2623 HydrophobicContact CB-CD2 4.11Å; I2620-L2623 HydrophobicContact CB-CG 4.48Å; I2620-L2623 HydrophobicContact CD1-CD2 3.93Å; I2620-L2623 HydrophobicContact CG1-CD2 4.44Å; I2620-L2623 HydrophobicContact CG2-CB 3.96Å; I2620-L2623 VanDerWaalsContact O-CB 3.28Å; I2620-L2623 WeakPolarHBondContact O-CB 3.33Å; I2620-L2623 PolarHBondContact O-N 3.43Å; I2620-L2623 VanDerWaalsContact O-N 3.12Å; P2621-L2623 PolarHBondContact O-N 3.1Å
2624F89.9Confident87.1Confident30 Ų3058.5 Ų58.513%0.13232%0.322CS..SBendtrans-94.9138.1176.2-63-81.3000110.3K2580 I2583 Q2584 E2628 I2629 L2632 F2653K2580-F2624 HydrophobicContact CB-CE1 4.03Å; K2580-F2624 HydrophobicContact CB-CZ 4.14Å; K2580-F2624 HydrophobicContact CD-CD1 4.26Å; K2580-F2624 HydrophobicContact CD-CE1 4.06Å; K2580-F2624 HydrophobicContact CG-CD1 4.22Å; K2580-F2624 HydrophobicContact CG-CE1 3.68Å; K2580-F2624 HydrophobicContact CG-CZ 3.91Å; I2583-F2624 HydrophobicContact CB-CE2 4.46Å; I2583-F2624 HydrophobicContact CB-CZ 4.32Å; I2583-F2624 HydrophobicContact CD1-CE2 4.29Å; I2583-F2624 HydrophobicContact CG2-CE2 3.96Å; I2583-F2624 HydrophobicContact CG2-CZ 4.05Å; Q2584-F2624 HydrophobicContact CG-CE1 4.37Å; Q2584-F2624 HydrophobicContact CG-CZ 4.35Å; F2624-E2628 WeakPolarHBondContact CA-OE2 3.3Å; F2624-E2628 HydrophobicContact CB-CB 4.36Å; F2624-E2628 HydrophobicContact CD1-CB 4.25Å; F2624-I2629 HydrophobicContact CB-CB 4.11Å; F2624-I2629 HydrophobicContact CB-CD1 4.22Å; F2624-I2629 HydrophobicContact CB-CG1 4.47Å; F2624-I2629 HydrophobicContact CD2-CD1 4.34Å; F2624-I2629 HydrophobicContact CG-CD1 4.39Å; F2624-L2632 HydrophobicContact CD1-CD1 4.15Å; F2624-L2632 HydrophobicContact CE1-CD1 3.95Å; F2624-L2632 HydrophobicContact CZ-CD1 4.27Å; F2624-F2653 HydrophobicContact CE2-CZ 4.32Å
2625K88.9Confident86.9Confident123 Ų12363.5 Ų63.554%0.53535%0.349SS..  trans-72.4156.2165-63.4179.6-179.8179.30109.6E2627 E2628 I2629 E3431K2625-E2627 PolarHBondContact O-N 3.01Å; K2625-E2628 HydrophobicContact CB-CB 4.47Å; K2625-E2628 HydrophobicContact CB-CG 4.13Å; K2625-E2628 PolarHBondContact N-OE2 3.24Å; K2625-E2628 WeakPolarHBondContact O-CB 3.35Å; K2625-E2628 PolarHBondContact O-N 3.16Å; K2625-I2629 PolarHBondContact O-N 3.13Å; K2625-I2629 VanDerWaalsContact O-N 3.12Å; K2625-E3431 VanDerWaalsContact CD-OE1 3.31Å; K2625-E3431 WeakPolarHBondContact CD-OE1 3.44Å; K2625-E3431 VanDerWaalsContact CE-OE1 3.31Å; K2625-E3431 WeakPolarHBondContact CE-OE1 3.5Å; K2625-E3431 IonicContact NZ-OE1 3.02Å; K2625-E3431 PolarHBondContact NZ-OE1 2.76Å
2626P83.8Confident86.9Confident94.4 Ų94.462.6 Ų62.661%0.61334%0.344SS*.Hα-helixtrans-51.4-41.9174.9-27.135.2000112.9E2628 I2629 E2630P2626-E2628 VanDerWaalsContact C-N 3.28Å; P2626-E2628 PolarHBondContact O-N 3.31Å; P2626-I2629 WeakPolarHBondContact O-CG2 3.4Å; P2626-I2629 PolarHBondContact O-N 3.1Å; P2626-E2630 WeakPolarHBondContact O-CG 3.45Å; P2626-E2630 PolarHBondContact O-N 3.26Å
2627E88Confident87.1Confident153.6 Ų153.665.2 Ų65.272%0.71835%0.352SS*.Hα-helixtrans-63.1-28.4177.2-61159.1-166.200113.7K2625 P2631K2625-E2627 PolarHBondContact O-N 3.01Å; E2627-P2631 VanDerWaalsContact O-CD 3.3Å; E2627-P2631 WeakPolarHBondContact O-CD 3.39Å; E2627-P2631 WeakPolarHBondContact O-CG 3.41Å
2628E87.1Confident87.2Confident65.4 Ų65.469.3 Ų69.331%0.30637%0.365SS..Hα-helixtrans-86-29.4-179.7-64.9175.8134.700112.1K2580 F2624 K2625 P2626 P2631 L2632K2580-E2628 VanDerWaalsContact NZ-CD 3.27Å; K2580-E2628 IonicContact NZ-OE1 3.33Å; K2580-E2628 PolarHBondContact NZ-OE1 2.99Å; K2580-E2628 VanDerWaalsContact NZ-OE1 3.08Å; K2580-E2628 IonicContact NZ-OE2 3.13Å; K2580-E2628 PolarHBondContact NZ-OE2 3.06Å; F2624-E2628 WeakPolarHBondContact CA-OE2 3.3Å; F2624-E2628 HydrophobicContact CB-CB 4.36Å; F2624-E2628 HydrophobicContact CD1-CB 4.25Å; K2625-E2628 HydrophobicContact CB-CB 4.47Å; K2625-E2628 HydrophobicContact CB-CG 4.13Å; K2625-E2628 PolarHBondContact N-OE2 3.24Å; K2625-E2628 WeakPolarHBondContact O-CB 3.35Å; K2625-E2628 PolarHBondContact O-N 3.16Å; P2626-E2628 VanDerWaalsContact C-N 3.28Å; P2626-E2628 PolarHBondContact O-N 3.31Å; E2628-P2631 WeakPolarHBondContact O-CG 3.48Å; E2628-L2632 WeakPolarHBondContact O-CD1 3.4Å; E2628-L2632 WeakPolarHBondContact O-CG 3.33Å
2629I87Confident87.3Confident23.6 Ų23.672.2 Ų72.212%0.12138%0.379CS..Hα-helixtrans-88.4-33.8-174.1-159.9153.5000113F2624 K2625 P2626 L2632 L2633 Y2650 F2653F2624-I2629 HydrophobicContact CB-CB 4.11Å; F2624-I2629 HydrophobicContact CB-CD1 4.22Å; F2624-I2629 HydrophobicContact CB-CG1 4.47Å; F2624-I2629 HydrophobicContact CD2-CD1 4.34Å; F2624-I2629 HydrophobicContact CG-CD1 4.39Å; K2625-I2629 PolarHBondContact O-N 3.13Å; K2625-I2629 VanDerWaalsContact O-N 3.12Å; P2626-I2629 WeakPolarHBondContact O-CG2 3.4Å; P2626-I2629 PolarHBondContact O-N 3.1Å; I2629-L2632 WeakPolarHBondContact O-CA 3.37Å; I2629-L2632 WeakPolarHBondContact O-CB 3.27Å; I2629-L2632 PolarHBondContact O-N 3.28Å; I2629-L2632 VanDerWaalsContact O-N 3.13Å; I2629-L2633 HydrophobicContact CG1-CD1 4.19Å; I2629-L2633 HydrophobicContact CG1-CD2 4.42Å; I2629-L2633 HydrophobicContact CG1-CG 4.1Å; I2629-L2633 HydrophobicContact CG2-CD1 4.44Å; I2629-L2633 WeakPolarHBondContact O-CG 3.37Å; I2629-L2633 PolarHBondContact O-N 3.29Å; I2629-Y2650 HydrophobicContact CD1-CD2 4.21Å; I2629-Y2650 HydrophobicContact CD1-CE2 3.55Å; I2629-Y2650 VanDerWaalsContact CD1-CE2 3.47Å; I2629-Y2650 HydrophobicContact CG1-CE2 4.49Å; I2629-F2653 HydrophobicContact CD1-CE1 4.36Å
2630E87.6Confident87.2Confident121.4 Ų121.470.3 Ų70.357%0.56737%0.372SS*.Hα-helixtrans-54.5-46.2177.3-77.2-179.9-177.200113.7P2626 L2632 L2633 N2634P2626-E2630 WeakPolarHBondContact O-CG 3.45Å; P2626-E2630 PolarHBondContact O-N 3.26Å; E2630-L2632 VanDerWaalsContact C-N 3.33Å; E2630-L2632 PolarHBondContact O-N 3.07Å; E2630-L2633 PolarHBondContact O-N 3.18Å; E2630-N2634 WeakPolarHBondContact O-CB 3.22Å; E2630-N2634 VanDerWaalsContact O-CG 3.28Å; E2630-N2634 PolarHBondContact O-N 3.2Å; E2630-N2634 PolarHBondContact O-ND2 3.07Å; E2630-N2634 VanDerWaalsContact O-ND2 3.16Å
2631P87.9Confident87Confident67.2 Ų67.277.8 Ų77.844%0.43640%0.404SS..Hα-helixtrans-61.6-39.2175.3-13.721.5000112.9E2627 E2628 L2633 N2634 N2635E2627-P2631 VanDerWaalsContact O-CD 3.3Å; E2627-P2631 WeakPolarHBondContact O-CD 3.39Å; E2627-P2631 WeakPolarHBondContact O-CG 3.41Å; E2628-P2631 WeakPolarHBondContact O-CG 3.48Å; P2631-L2633 PolarHBondContact O-N 3.4Å; P2631-N2634 PolarHBondContact O-N 3.27Å; P2631-N2635 VanDerWaalsContact O-CG 3.3Å; P2631-N2635 PolarHBondContact O-N 2.99Å; P2631-N2635 VanDerWaalsContact O-N 3.14Å; P2631-N2635 PolarHBondContact O-ND2 3.15Å
2632L85.8Confident87Confident21.6 Ų21.679.2 Ų79.211%0.11340%0.402CS..Hα-helixtrans-64.3-44.3177.8-66.8171.2000111.2Q2584 F2624 E2628 I2629 E2630 N2635 L2636Q2584-L2632 HydrophobicContact CG-CD1 4.19Å; Q2584-L2632 HydrophobicContact CG-CD2 4.13Å; F2624-L2632 HydrophobicContact CD1-CD1 4.15Å; F2624-L2632 HydrophobicContact CE1-CD1 3.95Å; F2624-L2632 HydrophobicContact CZ-CD1 4.27Å; E2628-L2632 WeakPolarHBondContact O-CD1 3.4Å; E2628-L2632 WeakPolarHBondContact O-CG 3.33Å; I2629-L2632 WeakPolarHBondContact O-CA 3.37Å; I2629-L2632 WeakPolarHBondContact O-CB 3.27Å; I2629-L2632 PolarHBondContact O-N 3.28Å; I2629-L2632 VanDerWaalsContact O-N 3.13Å; E2630-L2632 VanDerWaalsContact C-N 3.33Å; E2630-L2632 PolarHBondContact O-N 3.07Å; L2632-N2635 PolarHBondContact O-N 3.33Å; L2632-L2636 WeakPolarHBondContact O-CG 3.36Å; L2632-L2636 PolarHBondContact O-N 2.91Å
2633L88.4Confident86.9Confident25.8 Ų25.879.4 Ų79.414%0.13539%0.387CS..Hα-helixtrans-67.5-37.6178.5-64.2177.1000112.3I2629 E2630 P2631 N2635 L2636 R2637 L2649 Y2650 F2653I2629-L2633 HydrophobicContact CG1-CD1 4.19Å; I2629-L2633 HydrophobicContact CG1-CD2 4.42Å; I2629-L2633 HydrophobicContact CG1-CG 4.1Å; I2629-L2633 HydrophobicContact CG2-CD1 4.44Å; I2629-L2633 WeakPolarHBondContact O-CG 3.37Å; I2629-L2633 PolarHBondContact O-N 3.29Å; E2630-L2633 PolarHBondContact O-N 3.18Å; P2631-L2633 PolarHBondContact O-N 3.4Å; L2633-N2635 VanDerWaalsContact C-N 3.31Å; L2633-N2635 PolarHBondContact O-N 3.03Å; L2633-L2636 PolarHBondContact O-N 3.09Å; L2633-L2636 VanDerWaalsContact O-N 3.13Å; L2633-R2637 PolarHBondContact O-N 3.22Å; L2633-L2649 HydrophobicContact CB-CB 4.47Å; L2633-L2649 HydrophobicContact CD2-CB 4.44Å; L2633-Y2650 HydrophobicContact CD1-CD2 4.17Å; L2633-Y2650 HydrophobicContact CD2-CD2 4.28Å; L2633-F2653 HydrophobicContact CD2-CB 3.66Å; L2633-F2653 HydrophobicContact CD2-CD2 4.34Å; L2633-F2653 HydrophobicContact CD2-CG 4.09Å
2634N87Confident86.5Confident86.2 Ų86.283.8 Ų83.846%0.46142%0.418SS..Hα-helixtrans-63.8-38.7178.1-76.1-32.4000112E2630 P2631 L2636 R2637E2630-N2634 WeakPolarHBondContact O-CB 3.22Å; E2630-N2634 VanDerWaalsContact O-CG 3.28Å; E2630-N2634 PolarHBondContact O-N 3.2Å; E2630-N2634 PolarHBondContact O-ND2 3.07Å; E2630-N2634 VanDerWaalsContact O-ND2 3.16Å; P2631-N2634 PolarHBondContact O-N 3.27Å; N2634-L2636 VanDerWaalsContact C-N 3.26Å; N2634-L2636 PolarHBondContact O-N 3.19Å; N2634-R2637 WeakPolarHBondContact O-CB 3.41Å; N2634-R2637 PolarHBondContact O-N 3.23Å; N2634-R2637 PolarHBondContact OD1-NH1 3.09Å; N2634-R2637 PolarHBondContact OD1-NH2 2.97Å
2635N86.1Confident86.2Confident112 Ų11285.9 Ų85.960%0.59943%0.426SS*.Hα-helixtrans-64.4-24.5175.2-69.1-13.8000113.1P2631 L2632 L2633P2631-N2635 VanDerWaalsContact O-CG 3.3Å; P2631-N2635 PolarHBondContact O-N 2.99Å; P2631-N2635 VanDerWaalsContact O-N 3.14Å; P2631-N2635 PolarHBondContact O-ND2 3.15Å; L2632-N2635 PolarHBondContact O-N 3.33Å; L2633-N2635 VanDerWaalsContact C-N 3.31Å; L2633-N2635 PolarHBondContact O-N 3.03Å
2636L87.2Confident85.7Confident4.6 Ų4.689.4 Ų89.42%0.02444%0.444CS..Hα-helixtrans-87.8-10.4179.4-65.6174.2000113.7C2587 L2632 L2633 N2634 E2638 Q2639 A2640 Y2652 F2653C2587-L2636 VanDerWaalsContact SG-CD1 3.53Å; C2587-L2636 WeakPolarHBondContact SG-CD1 3.45Å; L2632-L2636 WeakPolarHBondContact O-CG 3.36Å; L2632-L2636 PolarHBondContact O-N 2.91Å; L2633-L2636 PolarHBondContact O-N 3.09Å; L2633-L2636 VanDerWaalsContact O-N 3.13Å; N2634-L2636 VanDerWaalsContact C-N 3.26Å; N2634-L2636 PolarHBondContact O-N 3.19Å; L2636-E2638 PolarHBondContact O-N 3.14Å; L2636-Q2639 PolarHBondContact O-N 2.99Å; L2636-A2640 VanDerWaalsContact O-CB 3.32Å; L2636-A2640 WeakPolarHBondContact O-CB 3.31Å; L2636-A2640 PolarHBondContact O-N 3.04Å; L2636-Y2652 HydrophobicContact CB-CD1 4.08Å; L2636-Y2652 HydrophobicContact CB-CE1 4.13Å; L2636-Y2652 HydrophobicContact CD1-CD1 4.36Å; L2636-Y2652 HydrophobicContact CD2-CE1 4.4Å; L2636-F2653 HydrophobicContact CD1-CB 3.86Å; L2636-F2653 HydrophobicContact CD1-CD2 3.85Å; L2636-F2653 HydrophobicContact CD1-CG 4.36Å
2637R87.9Confident85.6Confident144 Ų14487.3 Ų87.354%0.54344%0.439SS..Hα-helixtrans-61.2-44.6-172.9-175.6179.4-110.8116.2-0.4112.9L2633 N2634 Q2639 F2641 L2649L2633-R2637 PolarHBondContact O-N 3.22Å; N2634-R2637 WeakPolarHBondContact O-CB 3.41Å; N2634-R2637 PolarHBondContact O-N 3.23Å; N2634-R2637 PolarHBondContact OD1-NH1 3.09Å; N2634-R2637 PolarHBondContact OD1-NH2 2.97Å; R2637-Q2639 VanDerWaalsContact C-N 3.34Å; R2637-F2641 PolarHBondContact O-N 3.22Å; R2637-L2649 HydrophobicContact CB-CD1 4.12Å; R2637-L2649 HydrophobicContact CB-CD2 4.16Å; R2637-L2649 HydrophobicContact CG-CD1 4.25Å; R2637-L2649 HydrophobicContact CG-CD2 4.28Å
2638E86.8Confident85.6Confident142.4 Ų142.484.3 Ų84.367%0.66543%0.432SS*.Hα-helixtrans-66.8-39.8179.1-172.2172.4-174.100111.3L2636 F2641 Q2642L2636-E2638 PolarHBondContact O-N 3.14Å; E2638-F2641 WeakPolarHBondContact O-CB 3.34Å; E2638-F2641 PolarHBondContact O-N 3.27Å; E2638-Q2642 WeakPolarHBondContact O-CG 3.4Å; E2638-Q2642 PolarHBondContact O-N 3.19Å
2639Q85.5Confident85.6Confident60.6 Ų60.683.3 Ų83.328%0.28343%0.428SS..Hα-helixtrans-70.5-38.8179-63.9177-9.500112.1L2636 R2637 F2641 Q2642 D2643 Y2652 R2656L2636-Q2639 PolarHBondContact O-N 2.99Å; R2637-Q2639 VanDerWaalsContact C-N 3.34Å; Q2639-F2641 PolarHBondContact O-N 3.18Å; Q2639-Q2642 PolarHBondContact O-N 3.33Å; Q2639-Q2642 VanDerWaalsContact O-N 3.15Å; Q2639-D2643 WeakPolarHBondContact O-CB 3.42Å; Q2639-D2643 PolarHBondContact O-N 3.25Å; Q2639-Y2652 VanDerWaalsContact C-OH 3.23Å; Q2639-Y2652 HydrophobicContact CB-CE1 4.4Å; Q2639-Y2652 PolarHBondContact O-OH 3.08Å; Q2639-Y2652 VanDerWaalsContact O-OH 3.08Å; Q2639-R2656 VanDerWaalsContact OE1-NH2 3.08Å
2640A85.6Confident85.7Confident9.8 Ų9.886.4 Ų86.48%0.08144%0.439CS..Hα-helixtrans-60.6-36.7174.200000111.9L2636 S2644 Y2645 L2649 Y2652L2636-A2640 VanDerWaalsContact O-CB 3.32Å; L2636-A2640 WeakPolarHBondContact O-CB 3.31Å; L2636-A2640 PolarHBondContact O-N 3.04Å; A2640-S2644 PolarHBondContact O-N 3.13Å; A2640-Y2645 PolarHBondContact O-N 3.07Å; A2640-Y2645 VanDerWaalsContact O-N 3.13Å; A2640-L2649 HydrophobicContact CB-CD2 3.91Å; A2640-Y2652 VanDerWaalsContact CA-CZ 3.42Å; A2640-Y2652 HydrophobicContact CB-CD1 3.56Å; A2640-Y2652 HydrophobicContact CB-CD2 4.23Å; A2640-Y2652 HydrophobicContact CB-CE1 3.65Å; A2640-Y2652 HydrophobicContact CB-CE2 4.31Å; A2640-Y2652 HydrophobicContact CB-CG 3.83Å; A2640-Y2652 PolarHBondContact N-OH 3.2Å
2641F86.3Confident85.7Confident174.2 Ų174.282.1 Ų82.176%0.76442%0.423SS*.Hα-helixtrans-69.9-41.8174.8-177-97.8000111.9R2637 E2638 Q2639 D2643 S2644R2637-F2641 PolarHBondContact O-N 3.22Å; E2638-F2641 WeakPolarHBondContact O-CB 3.34Å; E2638-F2641 PolarHBondContact O-N 3.27Å; Q2639-F2641 PolarHBondContact O-N 3.18Å; F2641-D2643 PolarHBondContact O-N 2.77Å; F2641-S2644 PolarHBondContact O-N 3.16Å; F2641-S2644 VanDerWaalsContact O-N 3.13Å
2642Q85.3Confident85.7Confident125.2 Ų125.279 Ų7959%0.58540%0.402SS*.Hα-helixtrans-62.8-42.8175.2-71.8172.74.100112.3E2638 Q2639 S2644E2638-Q2642 WeakPolarHBondContact O-CG 3.4Å; E2638-Q2642 PolarHBondContact O-N 3.19Å; Q2639-Q2642 PolarHBondContact O-N 3.33Å; Q2639-Q2642 VanDerWaalsContact O-N 3.15Å; Q2642-S2644 PolarHBondContact O-N 3.11Å; Q2642-S2644 VanDerWaalsContact O-N 3.11Å
2643D81.6Confident85.9Confident75 Ų7578.2 Ų78.240%0.40140%0.398SS..THydrogen-bonded Turntrans-74.1-0.9177.2-71.7-2.7000112.9Q2639 F2641 Y2645 Y2652 R2656Q2639-D2643 WeakPolarHBondContact O-CB 3.42Å; Q2639-D2643 PolarHBondContact O-N 3.25Å; F2641-D2643 PolarHBondContact O-N 2.77Å; D2643-Y2645 VanDerWaalsContact C-N 3.25Å; D2643-Y2645 PolarHBondContact O-N 2.95Å; D2643-Y2645 VanDerWaalsContact O-N 3.17Å; D2643-Y2652 HydrophobicContact CB-CE2 4.1Å; D2643-Y2652 VanDerWaalsContact CG-OH 3.25Å; D2643-Y2652 WeakPolarHBondContact OD2-CE2 3.38Å; D2643-Y2652 PolarHBondContact OD2-OH 3.08Å; D2643-R2656 IonicContact OD1-NH2 3.55Å; D2643-R2656 IonicContact OD2-CZ 3.04Å; D2643-R2656 IonicContact OD2-NE 3.75Å; D2643-R2656 IonicContact OD2-NH2 3Å; D2643-R2656 PolarHBondContact OD2-NH2 2.9Å
2644S83.7Confident85.9Confident100 Ų10077.9 Ų77.970%0.69940%0.397SS*.THydrogen-bonded Turntrans51.338.4-176.9-58.30000113.4A2640 F2641 Q2642 E2646A2640-S2644 PolarHBondContact O-N 3.13Å; F2641-S2644 PolarHBondContact O-N 3.16Å; F2641-S2644 VanDerWaalsContact O-N 3.13Å; Q2642-S2644 PolarHBondContact O-N 3.11Å; Q2642-S2644 VanDerWaalsContact O-N 3.11Å; S2644-E2646 PolarHBondContact O-N 3.05Å
2645Y81.7Confident85.8Confident73.8 Ų73.876.6 Ų76.629%0.28939%0.388SS..  trans-77.2121.3-173.2-176-93.4000112.2A2640 D2643 G2647 S2651 Y2652 H2655A2640-Y2645 PolarHBondContact O-N 3.07Å; A2640-Y2645 VanDerWaalsContact O-N 3.13Å; D2643-Y2645 VanDerWaalsContact C-N 3.25Å; D2643-Y2645 PolarHBondContact O-N 2.95Å; D2643-Y2645 VanDerWaalsContact O-N 3.17Å; Y2645-G2647 VanDerWaalsContact C-N 3.27Å; Y2645-G2647 VanDerWaalsContact CD1-N 3.31Å; Y2645-G2647 VanDerWaalsContact CE1-CA 3.46Å; Y2645-G2647 PolarHBondContact O-N 3.02Å; Y2645-G2647 VanDerWaalsContact O-N 3.11Å; Y2645-S2651 WeakPolarHBondContact CE1-OG 3.4Å; Y2645-S2651 PolarHBondContact OH-O 3.15Å; Y2645-S2651 PolarHBondContact OH-OG 2.64Å; Y2645-Y2652 AromaticContact CD1-CD2 3.79Å; Y2645-Y2652 HydrophobicContact CD1-CD2 3.79Å; Y2645-Y2652 HydrophobicContact CD1-CG 4.17Å; Y2645-Y2652 AromaticContact CD2-CD2 3.78Å; Y2645-Y2652 HydrophobicContact CD2-CD2 3.78Å; Y2645-Y2652 HydrophobicContact CD2-CE2 4.32Å; Y2645-Y2652 HydrophobicContact CE1-CD2 4.35Å; Y2645-Y2652 HydrophobicContact CE2-CD2 4.3Å; Y2645-Y2652 AromaticContact CG-CD2 3.47Å; Y2645-Y2652 HydrophobicContact CG-CD2 3.47Å; Y2645-Y2652 VanDerWaalsContact CG-CD2 3.44Å; Y2645-Y2652 HydrophobicContact CG-CE2 4.21Å; Y2645-Y2652 HydrophobicContact CG-CG 4.29Å; Y2645-H2655 HydrophobicContact CE2-CB 4.17Å; Y2645-H2655 AromaticContact CE2-CD2 3.98Å; Y2645-H2655 AromaticContact CE2-CG 3.84Å
2646E78.9Confident85.9Confident196 Ų19671.7 Ų71.792%0.91636%0.361SS*.  trans-82.374.9178.4-63.2-172.6166.800111.9S2644S2644-E2646 PolarHBondContact O-N 3.05Å
2647G82Confident86Confident50.4 Ų50.471.5 Ų71.552%0.5236%0.36SS..SBendtrans-172.1-174.4176.200000114.3Y2645Y2645-G2647 VanDerWaalsContact C-N 3.27Å; Y2645-G2647 VanDerWaalsContact CD1-N 3.31Å; Y2645-G2647 VanDerWaalsContact CE1-CA 3.46Å; Y2645-G2647 PolarHBondContact O-N 3.02Å; Y2645-G2647 VanDerWaalsContact O-N 3.11Å
2648T88.2Confident86Confident90.8 Ų90.868 Ų6856%0.55735%0.349SS*.  trans-71.9153173.367.60000110.7Y2650 S2651 Y2652T2648-Y2650 PolarHBondContact O-N 2.88Å; T2648-Y2650 VanDerWaalsContact O-N 3.11Å; T2648-S2651 WeakPolarHBondContact CA-OG 2.99Å; T2648-S2651 PolarHBondContact N-OG 3.18Å; T2648-S2651 PolarHBondContact O-N 3.28Å; T2648-S2651 VanDerWaalsContact O-N 3.09Å; T2648-S2651 PolarHBondContact O-OG 3.06Å; T2648-S2651 WeakPolarHBondContact OG1-CB 3.36Å; T2648-S2651 PolarHBondContact OG1-N 3.41Å; T2648-S2651 VanDerWaalsContact OG1-N 3.1Å; T2648-S2651 PolarHBondContact OG1-OG 3.16Å; T2648-Y2652 PolarHBondContact O-N 3.1Å
2649L87.5Confident85.9Confident44.4 Ų44.465.8 Ų65.823%0.23234%0.335CS..Hα-helixtrans-55.8-32.2174-65.7178.9000112.4L2633 R2637 A2640 Y2652 F2653L2633-L2649 HydrophobicContact CB-CB 4.47Å; L2633-L2649 HydrophobicContact CD2-CB 4.44Å; R2637-L2649 HydrophobicContact CB-CD1 4.12Å; R2637-L2649 HydrophobicContact CB-CD2 4.16Å; R2637-L2649 HydrophobicContact CG-CD1 4.25Å; R2637-L2649 HydrophobicContact CG-CD2 4.28Å; A2640-L2649 HydrophobicContact CB-CD2 3.91Å; L2649-Y2652 WeakPolarHBondContact O-CB 3.43Å; L2649-Y2652 PolarHBondContact O-N 3.17Å; L2649-F2653 WeakPolarHBondContact O-CB 3.39Å; L2649-F2653 PolarHBondContact O-N 3.18Å
2650Y88.5Confident86Confident89 Ų8963.2 Ų63.235%0.34932%0.323SS..Hα-helixtrans-68.7-43.2175.7-167.4-91.7000112.4E2619 I2629 L2633 T2648 Y2652 F2653 T2654E2619-Y2650 WeakPolarHBondContact OE2-CE1 3.44Å; E2619-Y2650 PolarHBondContact OE2-OH 2.96Å; I2629-Y2650 HydrophobicContact CD1-CD2 4.21Å; I2629-Y2650 HydrophobicContact CD1-CE2 3.55Å; I2629-Y2650 VanDerWaalsContact CD1-CE2 3.47Å; I2629-Y2650 HydrophobicContact CG1-CE2 4.49Å; L2633-Y2650 HydrophobicContact CD1-CD2 4.17Å; L2633-Y2650 HydrophobicContact CD2-CD2 4.28Å; T2648-Y2650 PolarHBondContact O-N 2.88Å; T2648-Y2650 VanDerWaalsContact O-N 3.11Å; Y2650-Y2652 VanDerWaalsContact C-N 3.27Å; Y2650-Y2652 PolarHBondContact O-N 3.16Å; Y2650-F2653 WeakPolarHBondContact O-CB 3.39Å; Y2650-F2653 PolarHBondContact O-N 3.16Å; Y2650-F2653 VanDerWaalsContact O-N 3.17Å; Y2650-T2654 HydrophobicContact CD1-CG2 4.22Å; Y2650-T2654 HydrophobicContact CE1-CG2 3.95Å; Y2650-T2654 PolarHBondContact O-N 3.14Å; Y2650-T2654 PolarHBondContact O-OG1 2.76Å; Y2650-T2654 VanDerWaalsContact O-OG1 3.08Å
2651S87.1Confident86.3Confident31.6 Ų31.663.2 Ų63.222%0.22132%0.321CS..Hα-helixtrans-65.3-32.9173.360.90000112.2Y2645 T2648 T2654 H2655Y2645-S2651 WeakPolarHBondContact CE1-OG 3.4Å; Y2645-S2651 PolarHBondContact OH-O 3.15Å; Y2645-S2651 PolarHBondContact OH-OG 2.64Å; T2648-S2651 WeakPolarHBondContact CA-OG 2.99Å; T2648-S2651 PolarHBondContact N-OG 3.18Å; T2648-S2651 PolarHBondContact O-N 3.28Å; T2648-S2651 VanDerWaalsContact O-N 3.09Å; T2648-S2651 PolarHBondContact O-OG 3.06Å; T2648-S2651 WeakPolarHBondContact OG1-CB 3.36Å; T2648-S2651 PolarHBondContact OG1-N 3.41Å; T2648-S2651 VanDerWaalsContact OG1-N 3.1Å; T2648-S2651 PolarHBondContact OG1-OG 3.16Å; S2651-T2654 WeakPolarHBondContact CA-OG1 3.34Å; S2651-T2654 PolarHBondContact O-N 2.81Å; S2651-T2654 PolarHBondContact O-OG1 2.85Å; S2651-T2654 VanDerWaalsContact O-OG1 3.08Å; S2651-H2655 VanDerWaalsContact O-CB 3.29Å; S2651-H2655 WeakPolarHBondContact O-CB 3.34Å; S2651-H2655 PolarHBondContact O-N 3.25Å
2652Y88.6Confident86.6Confident1.6 Ų1.656 Ų561%0.00629%0.289CS..Hα-helixtrans-67.5-41.3172.7-178.3-110.5000112.3L2636 Q2639 A2640 D2643 Y2645 T2648 L2649 Y2650 H2655 R2656L2636-Y2652 HydrophobicContact CB-CD1 4.08Å; L2636-Y2652 HydrophobicContact CB-CE1 4.13Å; L2636-Y2652 HydrophobicContact CD1-CD1 4.36Å; L2636-Y2652 HydrophobicContact CD2-CE1 4.4Å; Q2639-Y2652 VanDerWaalsContact C-OH 3.23Å; Q2639-Y2652 HydrophobicContact CB-CE1 4.4Å; Q2639-Y2652 PolarHBondContact O-OH 3.08Å; Q2639-Y2652 VanDerWaalsContact O-OH 3.08Å; A2640-Y2652 VanDerWaalsContact CA-CZ 3.42Å; A2640-Y2652 HydrophobicContact CB-CD1 3.56Å; A2640-Y2652 HydrophobicContact CB-CD2 4.23Å; A2640-Y2652 HydrophobicContact CB-CE1 3.65Å; A2640-Y2652 HydrophobicContact CB-CE2 4.31Å; A2640-Y2652 HydrophobicContact CB-CG 3.83Å; A2640-Y2652 PolarHBondContact N-OH 3.2Å; D2643-Y2652 HydrophobicContact CB-CE2 4.1Å; D2643-Y2652 VanDerWaalsContact CG-OH 3.25Å; D2643-Y2652 WeakPolarHBondContact OD2-CE2 3.38Å; D2643-Y2652 PolarHBondContact OD2-OH 3.08Å; Y2645-Y2652 AromaticContact CD1-CD2 3.79Å; Y2645-Y2652 HydrophobicContact CD1-CD2 3.79Å; Y2645-Y2652 HydrophobicContact CD1-CG 4.17Å; Y2645-Y2652 AromaticContact CD2-CD2 3.78Å; Y2645-Y2652 HydrophobicContact CD2-CD2 3.78Å; Y2645-Y2652 HydrophobicContact CD2-CE2 4.32Å; Y2645-Y2652 HydrophobicContact CE1-CD2 4.35Å; Y2645-Y2652 HydrophobicContact CE2-CD2 4.3Å; Y2645-Y2652 AromaticContact CG-CD2 3.47Å; Y2645-Y2652 HydrophobicContact CG-CD2 3.47Å; Y2645-Y2652 VanDerWaalsContact CG-CD2 3.44Å; Y2645-Y2652 HydrophobicContact CG-CE2 4.21Å; Y2645-Y2652 HydrophobicContact CG-CG 4.29Å; T2648-Y2652 PolarHBondContact O-N 3.1Å; L2649-Y2652 WeakPolarHBondContact O-CB 3.43Å; L2649-Y2652 PolarHBondContact O-N 3.17Å; Y2650-Y2652 VanDerWaalsContact C-N 3.27Å; Y2650-Y2652 PolarHBondContact O-N 3.16Å; Y2652-H2655 WeakPolarHBondContact O-CB 3.2Å; Y2652-H2655 PolarHBondContact O-N 3.09Å; Y2652-R2656 HydrophobicContact CE1-CG 4.27Å; Y2652-R2656 VanDerWaalsContact CE1-NE 3.33Å; Y2652-R2656 HydrophobicContact CE2-CG 4.31Å; Y2652-R2656 VanDerWaalsContact CZ-NE 3.25Å; Y2652-R2656 PolarHBondContact O-N 3.04Å; Y2652-R2656 PolarHBondContact OH-NE 3.04Å; Y2652-R2656 PolarHBondContact OH-NH2 3.1Å
2653F89.7Confident87Confident3.8 Ų3.850.1 Ų50.12%0.01726%0.262CS..Hα-helixtrans-56.1-52.8172.4168.3-89.6000111.4I2583 C2587 F2624 I2629 L2633 L2636 L2649 Y2650 H2655 R2656 V2657I2583-F2653 HydrophobicContact CG2-CE1 4.3Å; I2583-F2653 HydrophobicContact CG2-CE2 4.17Å; I2583-F2653 HydrophobicContact CG2-CZ 3.5Å; I2583-F2653 VanDerWaalsContact CG2-CZ 3.42Å; C2587-F2653 HydrophobicContact CB-CD2 4.25Å; C2587-F2653 HydrophobicContact CB-CE2 4.13Å; C2587-F2653 WeakPolarHBondContact SG-CD2 3.47Å; C2587-F2653 WeakPolarHBondContact SG-CE2 3.33Å; F2624-F2653 HydrophobicContact CE2-CZ 4.32Å; I2629-F2653 HydrophobicContact CD1-CE1 4.36Å; L2633-F2653 HydrophobicContact CD2-CB 3.66Å; L2633-F2653 HydrophobicContact CD2-CD2 4.34Å; L2633-F2653 HydrophobicContact CD2-CG 4.09Å; L2636-F2653 HydrophobicContact CD1-CB 3.86Å; L2636-F2653 HydrophobicContact CD1-CD2 3.85Å; L2636-F2653 HydrophobicContact CD1-CG 4.36Å; L2649-F2653 WeakPolarHBondContact O-CB 3.39Å; L2649-F2653 PolarHBondContact O-N 3.18Å; Y2650-F2653 WeakPolarHBondContact O-CB 3.39Å; Y2650-F2653 PolarHBondContact O-N 3.16Å; Y2650-F2653 VanDerWaalsContact O-N 3.17Å; F2653-H2655 VanDerWaalsContact C-N 3.32Å; F2653-H2655 PolarHBondContact O-N 3.19Å; F2653-R2656 PolarHBondContact O-N 3.1Å; F2653-V2657 HydrophobicContact CD1-CG2 4.41Å; F2653-V2657 HydrophobicContact CE1-CG2 4.24Å; F2653-V2657 HydrophobicContact CE2-CG2 4.44Å; F2653-V2657 HydrophobicContact CZ-CG2 4.29Å; F2653-V2657 WeakPolarHBondContact O-CG2 3.35Å; F2653-V2657 PolarHBondContact O-N 3.05Å
2654T88.9Confident87.6Confident21 Ų2146.6 Ų46.613%0.12924%0.243CC..Hα-helixtrans-65.5-36.4179.355.20000112.5E2619 Y2650 S2651 R2656 V2657 K2658E2619-T2654 HydrophobicContact CB-CG2 3.98Å; E2619-T2654 HydrophobicContact CG-CG2 4.42Å; E2619-T2654 WeakPolarHBondContact OE2-CG2 3.41Å; Y2650-T2654 HydrophobicContact CD1-CG2 4.22Å; Y2650-T2654 HydrophobicContact CE1-CG2 3.95Å; Y2650-T2654 PolarHBondContact O-N 3.14Å; Y2650-T2654 PolarHBondContact O-OG1 2.76Å; Y2650-T2654 VanDerWaalsContact O-OG1 3.08Å; S2651-T2654 WeakPolarHBondContact CA-OG1 3.34Å; S2651-T2654 PolarHBondContact O-N 2.81Å; S2651-T2654 PolarHBondContact O-OG1 2.85Å; S2651-T2654 VanDerWaalsContact O-OG1 3.08Å; T2654-R2656 PolarHBondContact O-N 2.92Å; T2654-V2657 PolarHBondContact O-N 3.19Å; T2654-K2658 PolarHBondContact O-N 3.21Å
2655H85.4Confident88.1Confident59.4 Ų59.441.9 Ų41.928%0.27521%0.21SC..Hα-helixtrans-59.6-46.8173.3177.778.1000111.6Y2645 S2651 Y2652 F2653 K2658 R2659Y2645-H2655 HydrophobicContact CE2-CB 4.17Å; Y2645-H2655 AromaticContact CE2-CD2 3.98Å; Y2645-H2655 AromaticContact CE2-CG 3.84Å; S2651-H2655 VanDerWaalsContact O-CB 3.29Å; S2651-H2655 WeakPolarHBondContact O-CB 3.34Å; S2651-H2655 PolarHBondContact O-N 3.25Å; Y2652-H2655 WeakPolarHBondContact O-CB 3.2Å; Y2652-H2655 PolarHBondContact O-N 3.09Å; F2653-H2655 VanDerWaalsContact C-N 3.32Å; F2653-H2655 PolarHBondContact O-N 3.19Å; H2655-K2658 PolarHBondContact O-N 3.16Å; H2655-R2659 WeakPolarHBondContact O-CB 3.31Å; H2655-R2659 PolarHBondContact O-N 3.22Å
2656R87.7Confident88.6Confident7.2 Ų7.238.8 Ų38.83%0.02720%0.198CC..Hα-helixtrans-64-41.8176.2-79.8-165.9156.3-159.13.3113C2587 N2590 Q2639 D2643 Y2652 F2653 T2654 K2658 R2659 N2660C2587-R2656 PolarHBondContact O-NH1 3.49Å; N2590-R2656 VanDerWaalsContact CG-CZ 3.49Å; N2590-R2656 VanDerWaalsContact CG-NH1 3.3Å; N2590-R2656 PolarHBondContact ND2-NH2 2.89Å; N2590-R2656 PolarHBondContact OD1-NH1 3.09Å; Q2639-R2656 VanDerWaalsContact OE1-NH2 3.08Å; D2643-R2656 IonicContact OD1-NH2 3.55Å; D2643-R2656 IonicContact OD2-CZ 3.04Å; D2643-R2656 IonicContact OD2-NE 3.75Å; D2643-R2656 IonicContact OD2-NH2 3Å; D2643-R2656 PolarHBondContact OD2-NH2 2.9Å; Y2652-R2656 HydrophobicContact CE1-CG 4.27Å; Y2652-R2656 VanDerWaalsContact CE1-NE 3.33Å; Y2652-R2656 HydrophobicContact CE2-CG 4.31Å; Y2652-R2656 VanDerWaalsContact CZ-NE 3.25Å; Y2652-R2656 PolarHBondContact O-N 3.04Å; Y2652-R2656 PolarHBondContact OH-NE 3.04Å; Y2652-R2656 PolarHBondContact OH-NH2 3.1Å; F2653-R2656 PolarHBondContact O-N 3.1Å; T2654-R2656 PolarHBondContact O-N 2.92Å; R2656-K2658 VanDerWaalsContact C-N 3.35Å; R2656-K2658 PolarHBondContact O-N 3.06Å; R2656-R2659 PolarHBondContact O-N 3Å; R2656-N2660 VanDerWaalsContact O-CB 3.29Å; R2656-N2660 WeakPolarHBondContact O-CB 3.27Å; R2656-N2660 PolarHBondContact O-N 3.21Å; R2656-N2660 PolarHBondContact O-ND2 3.06Å
2657V89.9Confident89.1Confident1 Ų129.6 Ų29.61%0.00616%0.155CC..Hα-helixtrans-57-50.9174.2175.70000110.1I2583 C2587 L2614 G2618 F2653 T2654 R2659 N2660 L2661I2583-V2657 HydrophobicContact CG2-CG2 3.87Å; C2587-V2657 HydrophobicContact CB-CG2 4Å; C2587-V2657 WeakPolarHBondContact SG-CG2 3.39Å; L2614-V2657 HydrophobicContact CD1-CG1 3.82Å; L2614-V2657 HydrophobicContact CD2-CG1 4.27Å; G2618-V2657 WeakPolarHBondContact O-CG1 3.4Å; F2653-V2657 HydrophobicContact CD1-CG2 4.41Å; F2653-V2657 HydrophobicContact CE1-CG2 4.24Å; F2653-V2657 HydrophobicContact CE2-CG2 4.44Å; F2653-V2657 HydrophobicContact CZ-CG2 4.29Å; F2653-V2657 WeakPolarHBondContact O-CG2 3.35Å; F2653-V2657 PolarHBondContact O-N 3.05Å; T2654-V2657 PolarHBondContact O-N 3.19Å; V2657-R2659 VanDerWaalsContact C-N 3.33Å; V2657-R2659 PolarHBondContact O-N 3.17Å; V2657-N2660 PolarHBondContact O-N 3.12Å; V2657-L2661 HydrophobicContact CG1-CB 4.39Å; V2657-L2661 HydrophobicContact CG1-CD2 4.21Å; V2657-L2661 WeakPolarHBondContact O-CB 3.35Å; V2657-L2661 PolarHBondContact O-N 3.09Å
2658K86.9Confident89.3Confident71.4 Ų71.428.3 Ų28.331%0.3114%0.137SC..Hα-helixtrans-61.6-39.8178.2-76.2-170.5172.7-170.40113.4A2290 N2291 N2534 K2616 C2617 G2618 T2654 H2655 R2656 N2660A2290-K2658 PolarHBondContact O-NZ 3.3Å; N2291-K2658 PolarHBondContact OD1-NZ 2.85Å; N2534-K2658 PolarHBondContact ND2-O 3.06Å; K2616-K2658 VanDerWaalsContact O-CE 3.27Å; K2616-K2658 WeakPolarHBondContact O-CE 3.28Å; K2616-K2658 PolarHBondContact O-NZ 3.2Å; C2617-K2658 VanDerWaalsContact O-CE 3.25Å; C2617-K2658 WeakPolarHBondContact O-CE 3.36Å; G2618-K2658 VanDerWaalsContact N-CE 3.32Å; T2654-K2658 PolarHBondContact O-N 3.21Å; H2655-K2658 PolarHBondContact O-N 3.16Å; R2656-K2658 VanDerWaalsContact C-N 3.35Å; R2656-K2658 PolarHBondContact O-N 3.06Å; K2658-N2660 VanDerWaalsContact C-N 3.32Å
2659R84.4Confident88.9Confident95.8 Ų95.827.5 Ų27.536%0.36213%0.131SC..Hα-helixtrans-66.2-39.2180-176.2179.6177-171.8-2112V2477 S2479 H2655 R2656 V2657 R2662V2477-R2659 PolarHBondContact O-NH2 3.09Å; S2479-R2659 PolarHBondContact OG-NH2 3.36Å; H2655-R2659 WeakPolarHBondContact O-CB 3.31Å; H2655-R2659 PolarHBondContact O-N 3.22Å; R2656-R2659 PolarHBondContact O-N 3Å; V2657-R2659 VanDerWaalsContact C-N 3.33Å; V2657-R2659 PolarHBondContact O-N 3.17Å; R2659-R2662 VanDerWaalsContact O-CZ 3.28Å; R2659-R2662 PolarHBondContact O-NH1 3.13Å; R2659-R2662 PolarHBondContact O-NH2 3.27Å; R2659-R2662 VanDerWaalsContact O-NH2 3.16Å
2660N88.7Confident88.2Confident5.2 Ų5.228.6 Ų28.63%0.02815%0.154CC..Hα-helixtrans-99.3-31-169.6-67-19.7000113.7A2586 N2590 P2592 L2593 R2656 V2657 K2658 R2662A2586-N2660 HydrophobicContact CB-CB 4.25Å; A2586-N2660 VanDerWaalsContact O-CB 3.29Å; A2586-N2660 WeakPolarHBondContact O-CB 3.38Å; A2586-N2660 PolarHBondContact O-ND2 3.2Å; N2590-N2660 WeakPolarHBondContact CA-ND2 3.48Å; N2590-N2660 PolarHBondContact OD1-ND2 3.22Å; P2592-N2660 CarbonylContact C-O 3.58Å; P2592-N2660 VanDerWaalsContact CA-O 3.28Å; P2592-N2660 WeakPolarHBondContact CA-O 3.45Å; L2593-N2660 PolarHBondContact N-O 3.17Å; R2656-N2660 VanDerWaalsContact O-CB 3.29Å; R2656-N2660 WeakPolarHBondContact O-CB 3.27Å; R2656-N2660 PolarHBondContact O-N 3.21Å; R2656-N2660 PolarHBondContact O-ND2 3.06Å; V2657-N2660 PolarHBondContact O-N 3.12Å; K2658-N2660 VanDerWaalsContact C-N 3.32Å; N2660-R2662 VanDerWaalsContact C-NH1 3.32Å; N2660-R2662 PolarHBondContact O-N 3.06Å; N2660-R2662 PolarHBondContact O-NH1 3.08Å
2661L91.5Very high87.5Confident10 Ų1026.7 Ų26.75%0.05215%0.15CC..EExtended strand (participates in β ladder)trans-82.1126.3-178.6-175.765.1000111.5N2534 V2582 A2586 L2593 F2595 L2614 V2657N2534-L2661 PolarHBondContact ND2-O 3.36Å; N2534-L2661 PolarHBondContact OD1-O 2.81Å; V2582-L2661 HydrophobicContact CG1-CD1 3.54Å; V2582-L2661 HydrophobicContact CG1-CD2 4.4Å; A2586-L2661 HydrophobicContact CB-CB 4.22Å; A2586-L2661 HydrophobicContact CB-CD1 4.47Å; L2593-L2661 HydrophobicContact CD1-CD1 3.49Å; L2593-L2661 VanDerWaalsContact CD1-CD1 3.44Å; L2593-L2661 HydrophobicContact CD2-CD1 4.12Å; L2593-L2661 HydrophobicContact CG-CD1 4.39Å; F2595-L2661 HydrophobicContact CB-CD1 3.75Å; L2614-L2661 HydrophobicContact CD1-CD2 4.03Å; L2614-L2661 HydrophobicContact CD2-CD2 3.5Å; L2614-L2661 VanDerWaalsContact CD2-CD2 3.45Å; L2614-L2661 HydrophobicContact CG-CD2 3.68Å; V2657-L2661 HydrophobicContact CG1-CB 4.39Å; V2657-L2661 HydrophobicContact CG1-CD2 4.21Å; V2657-L2661 WeakPolarHBondContact O-CB 3.35Å; V2657-L2661 PolarHBondContact O-N 3.09Å
2662R92.1Very high86.7Confident24.4 Ų24.430.1 Ų30.19%0.09217%0.173CC..EExtended strand (participates in β ladder)trans-116.5107.7168.5-66102178.4159.10.2108.5I2528 N2534 P2592 L2593 V2594 F2595 R2659 N2660I2528-R2662 HydrophobicContact CB-CG 4.11Å; I2528-R2662 HydrophobicContact CG1-CB 4.5Å; I2528-R2662 HydrophobicContact CG1-CG 4.39Å; I2528-R2662 HydrophobicContact CG2-CB 4.44Å; I2528-R2662 HydrophobicContact CG2-CG 4.18Å; I2528-R2662 WeakPolarHBondContact O-CD 3.48Å; I2528-R2662 PolarHBondContact O-NE 3.47Å; N2534-R2662 HydrophobicContact CB-CG 4.28Å; N2534-R2662 PolarHBondContact ND2-NH1 2.85Å; N2534-R2662 VanDerWaalsContact O-CD 3.27Å; N2534-R2662 WeakPolarHBondContact O-CD 3.49Å; P2592-R2662 VanDerWaalsContact CB-NH1 3.34Å; L2593-R2662 PolarHBondContact O-N 3.19Å; V2594-R2662 CarbonylContact C-O 3.36Å; V2594-R2662 WeakPolarHBondContact CA-O 3.41Å; V2594-R2662 HydrophobicContact CG2-CB 4.42Å; F2595-R2662 PolarHBondContact N-O 3.19Å; R2659-R2662 VanDerWaalsContact O-CZ 3.28Å; R2659-R2662 PolarHBondContact O-NH1 3.13Å; R2659-R2662 PolarHBondContact O-NH2 3.27Å; R2659-R2662 VanDerWaalsContact O-NH2 3.16Å; N2660-R2662 VanDerWaalsContact C-NH1 3.32Å; N2660-R2662 PolarHBondContact O-N 3.06Å; N2660-R2662 PolarHBondContact O-NH1 3.08Å
2663L93.9Very high86.1Confident0.8 Ų0.834.2 Ų34.20%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-90.4127-178.8-171.6151.1000109.2S2535 V2536 F2595 I2611 L2614 L2615 L2665S2535-L2663 CarbonylContact C-O 3.58Å; S2535-L2663 VanDerWaalsContact CA-O 3.25Å; S2535-L2663 WeakPolarHBondContact CA-O 3.32Å; S2535-L2663 WeakPolarHBondContact CB-O 3.4Å; S2535-L2663 PolarHBondContact OG-N 3.2Å; S2535-L2663 VanDerWaalsContact OG-N 3.09Å; V2536-L2663 PolarHBondContact N-O 3.29Å; F2595-L2663 HydrophobicContact CD1-CD1 3.94Å; F2595-L2663 HydrophobicContact CD1-CG 4.12Å; F2595-L2663 HydrophobicContact CE1-CD1 4.34Å; F2595-L2663 CarbonylContact O-C 3.57Å; F2595-L2663 WeakPolarHBondContact O-CA 3.34Å; I2611-L2663 HydrophobicContact CG1-CD1 4.43Å; I2611-L2663 HydrophobicContact CG2-CD1 3.87Å; I2611-L2663 HydrophobicContact CG2-CD2 4.04Å; L2614-L2663 HydrophobicContact CD2-CD1 4.36Å; L2615-L2663 HydrophobicContact CD1-CD2 4.34Å; L2615-L2663 HydrophobicContact CD2-CB 4.12Å; L2615-L2663 HydrophobicContact CD2-CD1 4.45Å; L2615-L2663 HydrophobicContact CD2-CD2 4.4Å; L2615-L2663 HydrophobicContact CG-CD1 4.49Å; L2663-L2665 HydrophobicContact CD2-CD1 4.07Å; L2663-L2665 HydrophobicContact CD2-CD2 3.85Å; L2663-L2665 VanDerWaalsContact CD2-CD2 3.48Å; L2663-L2665 HydrophobicContact CD2-CG 3.54Å; L2663-L2665 VanDerWaalsContact CD2-CG 3.48Å
2664I94.9Very high85.5Confident1.6 Ų1.634.9 Ų34.91%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-118.5112.7177.9-54.2-176.9000109.6M2524 I2528 V2536 L2538 I2550 V2594 F2595 V2597 V2666M2524-I2664 HydrophobicContact CE-CD1 3.87Å; I2528-I2664 HydrophobicContact CD1-CD1 4.27Å; V2536-I2664 HydrophobicContact CB-CG1 4.27Å; V2536-I2664 HydrophobicContact CB-CG2 4.33Å; V2536-I2664 CarbonylContact O-C 3.55Å; V2536-I2664 VanDerWaalsContact O-CA 3.28Å; V2536-I2664 WeakPolarHBondContact O-CA 3.34Å; L2538-I2664 HydrophobicContact CD1-CG2 4.05Å; L2538-I2664 HydrophobicContact CG-CG2 4.16Å; I2550-I2664 HydrophobicContact CD1-CB 4.31Å; I2550-I2664 HydrophobicContact CD1-CD1 4.43Å; I2550-I2664 HydrophobicContact CD1-CG2 3.54Å; I2550-I2664 HydrophobicContact CG1-CD1 4.08Å; I2550-I2664 HydrophobicContact CG1-CG2 4.1Å; I2550-I2664 HydrophobicContact CG2-CD1 3.88Å; V2594-I2664 HydrophobicContact CG1-CD1 3.53Å; V2594-I2664 VanDerWaalsContact CG1-CD1 3.47Å; V2594-I2664 HydrophobicContact CG1-CG1 3.97Å; F2595-I2664 PolarHBondContact O-N 3.06Å; V2597-I2664 PolarHBondContact N-O 3.28Å; I2664-V2666 HydrophobicContact CG2-CG2 4.41Å
2665L92.6Very high85Confident1.2 Ų1.238.3 Ų38.31%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-92.8124.4174.2-66.6171.6000110V2536 V2537 L2538 V2597 L2602 I2611 L2663 L2667V2536-L2665 PolarHBondContact O-N 3.16Å; V2537-L2665 CarbonylContact C-O 3.51Å; V2537-L2665 WeakPolarHBondContact CA-O 3.31Å; V2537-L2665 HydrophobicContact CB-CB 4.43Å; V2537-L2665 HydrophobicContact CG1-CB 4.2Å; V2537-L2665 HydrophobicContact CG2-CB 4.18Å; V2537-L2665 HydrophobicContact CG2-CD1 4.06Å; V2537-L2665 HydrophobicContact CG2-CG 4.41Å; L2538-L2665 PolarHBondContact N-O 3.33Å; V2597-L2665 HydrophobicContact CB-CD2 3.82Å; V2597-L2665 HydrophobicContact CG1-CD2 4.01Å; V2597-L2665 HydrophobicContact CG2-CD2 4.48Å; V2597-L2665 CarbonylContact O-C 3.41Å; V2597-L2665 WeakPolarHBondContact O-CA 3.38Å; L2602-L2665 HydrophobicContact CD1-CD2 4.46Å; I2611-L2665 HydrophobicContact CD1-CD2 4.13Å; I2611-L2665 HydrophobicContact CG2-CD1 4.28Å; I2611-L2665 HydrophobicContact CG2-CD2 4.39Å; L2663-L2665 HydrophobicContact CD2-CD1 4.07Å; L2663-L2665 HydrophobicContact CD2-CD2 3.85Å; L2663-L2665 VanDerWaalsContact CD2-CD2 3.48Å; L2663-L2665 HydrophobicContact CD2-CG 3.54Å; L2663-L2665 VanDerWaalsContact CD2-CG 3.48Å; L2665-L2667 HydrophobicContact CB-CG 4.42Å
2666V92.5Very high84.6Confident7.6 Ų7.638.9 Ų38.95%0.04622%0.224CC..EExtended strand (participates in β ladder)trans-110.2112175.5-173.30000108.7L2538 R2546 I2550 I2596 V2597 E2598 D2599 I2664L2538-V2666 HydrophobicContact CD1-CG2 4.43Å; R2546-V2666 HydrophobicContact CB-CG1 4.13Å; I2550-V2666 HydrophobicContact CD1-CG2 3.73Å; I2596-V2666 HydrophobicContact CG2-CG2 4.39Å; V2597-V2666 PolarHBondContact O-N 3.06Å; E2598-V2666 WeakPolarHBondContact CA-O 3.34Å; E2598-V2666 HydrophobicContact CG-CB 4.09Å; E2598-V2666 HydrophobicContact CG-CG2 4.42Å; D2599-V2666 PolarHBondContact N-O 3.13Å; I2664-V2666 HydrophobicContact CG2-CG2 4.41Å
2667L89.4Confident84.1Confident3 Ų339.2 Ų39.22%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-123.2126-171.6-55.7177.4000111.5V2537 L2538 I2539 G2540 R2546 D2599 L2602 L2665 L2674 F2685V2537-L2667 HydrophobicContact CG1-CD1 3.71Å; V2537-L2667 HydrophobicContact CG1-CG 4.32Å; L2538-L2667 PolarHBondContact O-N 3.25Å; L2538-L2667 VanDerWaalsContact O-N 3.07Å; I2539-L2667 WeakPolarHBondContact CA-O 3.38Å; G2540-L2667 PolarHBondContact N-O 3.13Å; R2546-L2667 VanDerWaalsContact NH1-C 3.31Å; R2546-L2667 PolarHBondContact NH1-O 3.01Å; D2599-L2667 HydrophobicContact CB-CD2 4.09Å; L2602-L2667 HydrophobicContact CD1-CD2 4.35Å; L2665-L2667 HydrophobicContact CB-CG 4.42Å; L2667-L2674 HydrophobicContact CB-CD1 3.96Å; L2667-L2674 HydrophobicContact CD1-CD1 3.79Å; L2667-L2674 HydrophobicContact CG-CD1 4.43Å; L2667-F2685 HydrophobicContact CD1-CE1 3.66Å; L2667-F2685 VanDerWaalsContact CD1-CE1 3.43Å; L2667-F2685 HydrophobicContact CD1-CZ 3.72Å; L2667-F2685 VanDerWaalsContact CD1-CZ 3.46Å
2668D86.8Confident83.5Confident23.6 Ų23.639.8 Ų39.813%0.12623%0.231CC..EExtended strand (participates in β ladder)trans-81136.8176.5-157-60.3000112.1G2540 S2542 R2546 D2599 G2670 D2671G2540-D2668 WeakPolarHBondContact O-CA 3.28Å; S2542-D2668 VanDerWaalsContact CA-OD2 3.3Å; S2542-D2668 WeakPolarHBondContact CA-OD2 3.41Å; S2542-D2668 VanDerWaalsContact CB-OD2 3.26Å; S2542-D2668 WeakPolarHBondContact CB-OD2 3.33Å; S2542-D2668 PolarHBondContact N-OD2 3.26Å; S2542-D2668 PolarHBondContact OG-OD2 3.09Å; R2546-D2668 IonicContact NH2-OD2 3.29Å; D2599-D2668 VanDerWaalsContact OD2-CB 3.31Å; D2599-D2668 WeakPolarHBondContact OD2-CB 3.37Å; D2599-D2668 PolarHBondContact OD2-N 3.12Å; D2668-G2670 PolarHBondContact O-N 2.96Å; D2668-G2670 WeakPolarHBondContact OD1-CA 3.39Å; D2668-G2670 PolarHBondContact OD1-N 3.16Å; D2668-D2671 WeakPolarHBondContact O-CB 3.24Å; D2668-D2671 PolarHBondContact O-N 3.28Å; D2668-D2671 VanDerWaalsContact O-N 3.15Å
2669V80Confident83Confident73.6 Ų73.643.7 Ų43.745%0.44624%0.244SC..THydrogen-bonded Turntrans-67.7-23.2175.4-139.70000112.1I2539 G2540 P2541 D2671 L2674I2539-V2669 HydrophobicContact CG2-CG1 3.68Å; I2539-V2669 HydrophobicContact CG2-CG2 3.64Å; G2540-V2669 PolarHBondContact O-N 3.12Å; P2541-V2669 HydrophobicContact CB-CG2 4.13Å; V2669-D2671 VanDerWaalsContact C-N 3.26Å; V2669-D2671 PolarHBondContact O-N 3.04Å; V2669-L2674 HydrophobicContact CG1-CD2 4.31Å; V2669-L2674 HydrophobicContact CG2-CD2 4.39Å
2670G72.5Confident82.6Confident67.8 Ų67.847 Ų4770%0.69926%0.256SS*.THydrogen-bonded Turntrans-75.4-9.5175.500000114.3D2668 S2672D2668-G2670 PolarHBondContact O-N 2.96Å; D2668-G2670 WeakPolarHBondContact OD1-CA 3.39Å; D2668-G2670 PolarHBondContact OD1-N 3.16Å; G2670-S2672 PolarHBondContact O-N 3.3Å
2671D73.3Confident82.2Confident49.4 Ų49.447.4 Ų47.426%0.26426%0.258SS..  trans-76119176.5-174.65.5000111D2668 V2669 L2673 L2674D2668-D2671 WeakPolarHBondContact O-CB 3.24Å; D2668-D2671 PolarHBondContact O-N 3.28Å; D2668-D2671 VanDerWaalsContact O-N 3.15Å; V2669-D2671 VanDerWaalsContact C-N 3.26Å; V2669-D2671 PolarHBondContact O-N 3.04Å; D2671-L2673 PolarHBondContact O-N 3.29Å; D2671-L2673 VanDerWaalsContact O-N 3.15Å; D2671-L2673 WeakPolarHBondContact OD1-CB 3.31Å; D2671-L2673 PolarHBondContact OD1-N 3.06Å; D2671-L2674 HydrophobicContact CB-CB 4.49Å; D2671-L2674 VanDerWaalsContact O-CB 3.32Å; D2671-L2674 WeakPolarHBondContact O-CB 3.34Å; D2671-L2674 PolarHBondContact O-N 3.07Å; D2671-L2674 VanDerWaalsContact O-N 3.08Å
2672S71.6Confident81.5Confident102.8 Ų102.847.9 Ų47.972%0.71926%0.263SS*.THydrogen-bonded Turntrans-56.7-23.9174.862.80000113.7G2670 P2676G2670-S2672 PolarHBondContact O-N 3.3Å; S2672-P2676 VanDerWaalsContact O-CD 3.27Å; S2672-P2676 WeakPolarHBondContact O-CD 3.3Å
2673L75.2Confident80.7Confident87.2 Ų87.249.2 Ų49.246%0.45727%0.272SS..THydrogen-bonded Turntrans-82-15.7179.5-60.9177000113.3D2671 I2675 P2676 V2677D2671-L2673 PolarHBondContact O-N 3.29Å; D2671-L2673 VanDerWaalsContact O-N 3.15Å; D2671-L2673 WeakPolarHBondContact OD1-CB 3.31Å; D2671-L2673 PolarHBondContact OD1-N 3.06Å; L2673-I2675 VanDerWaalsContact C-N 3.33Å; L2673-I2675 PolarHBondContact O-N 3.09Å; L2673-P2676 VanDerWaalsContact O-CD 3.29Å; L2673-P2676 WeakPolarHBondContact O-CD 3.32Å; L2673-P2676 VanDerWaalsContact O-CG 3.28Å; L2673-P2676 WeakPolarHBondContact O-CG 3.48Å; L2673-V2677 HydrophobicContact CB-CG2 4.23Å; L2673-V2677 WeakPolarHBondContact O-CB 3.15Å; L2673-V2677 WeakPolarHBondContact O-CG2 3.31Å; L2673-V2677 PolarHBondContact O-N 3.24Å
2674L77.4Confident80Confident19 Ų1949.3 Ų49.310%0.09927%0.272CS..Hα-helixtrans-57.9-44.3-175-179.462.2000112.8I2539 L2667 V2669 D2671 S2678I2539-L2674 HydrophobicContact CG2-CD2 4.09Å; L2667-L2674 HydrophobicContact CB-CD1 3.96Å; L2667-L2674 HydrophobicContact CD1-CD1 3.79Å; L2667-L2674 HydrophobicContact CG-CD1 4.43Å; V2669-L2674 HydrophobicContact CG1-CD2 4.31Å; V2669-L2674 HydrophobicContact CG2-CD2 4.39Å; D2671-L2674 HydrophobicContact CB-CB 4.49Å; D2671-L2674 VanDerWaalsContact O-CB 3.32Å; D2671-L2674 WeakPolarHBondContact O-CB 3.34Å; D2671-L2674 PolarHBondContact O-N 3.07Å; D2671-L2674 VanDerWaalsContact O-N 3.08Å; L2674-S2678 VanDerWaalsContact O-CB 3.26Å; L2674-S2678 WeakPolarHBondContact O-CB 3.36Å; L2674-S2678 PolarHBondContact O-N 3.14Å; L2674-S2678 PolarHBondContact O-OG 3.12Å
2675I78Confident79.3Confident93.2 Ų93.249.8 Ų49.848%0.47828%0.275SS..Hα-helixtrans-69.1-51-179.6-61171.6000111.5L2673 V2677 S2678 R2679L2673-I2675 VanDerWaalsContact C-N 3.33Å; L2673-I2675 PolarHBondContact O-N 3.09Å; I2675-V2677 VanDerWaalsContact C-N 3.33Å; I2675-V2677 PolarHBondContact O-N 3.27Å; I2675-S2678 WeakPolarHBondContact CA-OG 3.33Å; I2675-S2678 PolarHBondContact O-N 3.19Å; I2675-S2678 PolarHBondContact O-OG 3.12Å; I2675-S2678 VanDerWaalsContact O-OG 3.1Å; I2675-R2679 WeakPolarHBondContact O-CB 3.4Å; I2675-R2679 VanDerWaalsContact O-CG 3.3Å; I2675-R2679 WeakPolarHBondContact O-CG 3.3Å; I2675-R2679 PolarHBondContact O-N 3.14Å; I2675-R2679 VanDerWaalsContact O-N 3.12Å
2676P77Confident78.7Confident71.8 Ų71.852.9 Ų52.947%0.46629%0.286SS..Hα-helixtrans-57.4-42.4173.6-1821.5000113.7S2672 L2673 R2679 R2680S2672-P2676 VanDerWaalsContact O-CD 3.27Å; S2672-P2676 WeakPolarHBondContact O-CD 3.3Å; L2673-P2676 VanDerWaalsContact O-CD 3.29Å; L2673-P2676 WeakPolarHBondContact O-CD 3.32Å; L2673-P2676 VanDerWaalsContact O-CG 3.28Å; L2673-P2676 WeakPolarHBondContact O-CG 3.48Å; P2676-R2679 PolarHBondContact O-N 3.24Å; P2676-R2680 VanDerWaalsContact O-CB 3.26Å; P2676-R2680 WeakPolarHBondContact O-CB 3.33Å; P2676-R2680 PolarHBondContact O-N 3.16Å
2677V77.6Confident78.2Confident13 Ų1355.5 Ų55.58%0.07930%0.298CS..Hα-helixtrans-66.1-48.4179.7166.50000110.8Y2608 L2673 I2675 R2679 R2680 Y2681 F2685Y2608-V2677 HydrophobicContact CD1-CG1 3.97Å; Y2608-V2677 VanDerWaalsContact CD1-CG1 3.49Å; Y2608-V2677 HydrophobicContact CD2-CG1 4.17Å; Y2608-V2677 HydrophobicContact CD2-CG2 4.08Å; Y2608-V2677 HydrophobicContact CE1-CG1 3.5Å; Y2608-V2677 VanDerWaalsContact CE1-CG1 3.47Å; Y2608-V2677 HydrophobicContact CE2-CB 4.45Å; Y2608-V2677 HydrophobicContact CE2-CG1 3.87Å; Y2608-V2677 HydrophobicContact CE2-CG2 4Å; Y2608-V2677 HydrophobicContact CG-CG1 3.93Å; Y2608-V2677 HydrophobicContact CG-CG2 4.31Å; Y2608-V2677 VanDerWaalsContact CZ-CG1 3.42Å; Y2608-V2677 WeakPolarHBondContact OH-CG1 3.3Å; L2673-V2677 HydrophobicContact CB-CG2 4.23Å; L2673-V2677 WeakPolarHBondContact O-CB 3.15Å; L2673-V2677 WeakPolarHBondContact O-CG2 3.31Å; L2673-V2677 PolarHBondContact O-N 3.24Å; I2675-V2677 VanDerWaalsContact C-N 3.33Å; I2675-V2677 PolarHBondContact O-N 3.27Å; V2677-R2679 VanDerWaalsContact C-N 3.26Å; V2677-R2679 PolarHBondContact O-N 3.09Å; V2677-R2680 PolarHBondContact O-N 3.17Å; V2677-R2680 VanDerWaalsContact O-N 3.16Å; V2677-Y2681 HydrophobicContact CB-CD2 4.42Å; V2677-Y2681 HydrophobicContact CG1-CD2 4.08Å; V2677-Y2681 HydrophobicContact CG1-CE2 4.44Å; V2677-Y2681 WeakPolarHBondContact O-CA 3.05Å; V2677-Y2681 WeakPolarHBondContact O-CB 3.33Å; V2677-Y2681 WeakPolarHBondContact O-CD2 3.21Å; V2677-Y2681 PolarHBondContact O-N 3.05Å; V2677-F2685 HydrophobicContact CG1-CE2 4.3Å; V2677-F2685 HydrophobicContact CG1-CZ 4.24Å
2678S76.2Confident78.1Confident13.4 Ų13.455.4 Ų55.49%0.09430%0.297CS..Hα-helixtrans-62.2-31.4178.255.60000113N2383 L2674 I2675 A2682N2383-S2678 WeakPolarHBondContact OD1-CB 3.28Å; N2383-S2678 PolarHBondContact OD1-OG 2.96Å; L2674-S2678 VanDerWaalsContact O-CB 3.26Å; L2674-S2678 WeakPolarHBondContact O-CB 3.36Å; L2674-S2678 PolarHBondContact O-N 3.14Å; L2674-S2678 PolarHBondContact O-OG 3.12Å; I2675-S2678 WeakPolarHBondContact CA-OG 3.33Å; I2675-S2678 PolarHBondContact O-N 3.19Å; I2675-S2678 PolarHBondContact O-OG 3.12Å; I2675-S2678 VanDerWaalsContact O-OG 3.1Å; S2678-A2682 VanDerWaalsContact O-CA 3.28Å; S2678-A2682 WeakPolarHBondContact O-CA 3.39Å; S2678-A2682 VanDerWaalsContact O-CB 3.31Å; S2678-A2682 WeakPolarHBondContact O-CB 3.4Å; S2678-A2682 PolarHBondContact O-N 3.18Å; S2678-A2682 VanDerWaalsContact O-N 3.13Å
2679R77.2Confident78.2Confident154.2 Ų154.254.8 Ų54.858%0.58229%0.294SS*.Hα-helixtrans-71.1-46.1172-72.4176.9178.7-172.3-0.8112.5E2379 N2380 M2382 I2675 P2676 V2677 Y2681E2379-R2679 PolarHBondContact O-NH2 3.04Å; E2379-R2679 VanDerWaalsContact O-NH2 3.12Å; N2380-R2679 PolarHBondContact O-NH2 3Å; M2382-R2679 HydrophobicContact CG-CG 4.13Å; I2675-R2679 WeakPolarHBondContact O-CB 3.4Å; I2675-R2679 VanDerWaalsContact O-CG 3.3Å; I2675-R2679 WeakPolarHBondContact O-CG 3.3Å; I2675-R2679 PolarHBondContact O-N 3.14Å; I2675-R2679 VanDerWaalsContact O-N 3.12Å; P2676-R2679 PolarHBondContact O-N 3.24Å; V2677-R2679 VanDerWaalsContact C-N 3.26Å; V2677-R2679 PolarHBondContact O-N 3.09Å; R2679-Y2681 VanDerWaalsContact C-N 3.35Å
2680R77.1Confident78.6Confident164.4 Ų164.451.6 Ų51.662%0.6228%0.275SS*.Hα-helixtrans-69.7-35.4-178.2-177.7172.1170.8159.2-3.5112.7D2609 P2676 V2677D2609-R2680 IonicContact OD1-NH2 2.88Å; D2609-R2680 PolarHBondContact OD1-NH2 3.47Å; D2609-R2680 IonicContact OD2-NH2 2.61Å; D2609-R2680 PolarHBondContact OD2-NH2 3.38Å; P2676-R2680 VanDerWaalsContact O-CB 3.26Å; P2676-R2680 WeakPolarHBondContact O-CB 3.33Å; P2676-R2680 PolarHBondContact O-N 3.16Å; V2677-R2680 PolarHBondContact O-N 3.17Å; V2677-R2680 VanDerWaalsContact O-N 3.16Å
2681Y78.5Confident79.4Confident14.2 Ų14.248.4 Ų48.46%0.05624%0.242CC..THydrogen-bonded Turntrans-116.232.8-175.2-60.9-73.8000112.3A2605 Y2608 D2609 Y2612 V2677 R2679 D2683 C2684 F2685A2605-Y2681 HydrophobicContact CB-CE2 4.05Å; A2605-Y2681 WeakPolarHBondContact CB-OH 3.49Å; A2605-Y2681 WeakPolarHBondContact O-CE2 3.29Å; A2605-Y2681 PolarHBondContact O-OH 3.2Å; Y2608-Y2681 VanDerWaalsContact CB-CD1 3.5Å; Y2608-Y2681 VanDerWaalsContact CB-CE2 3.46Å; Y2608-Y2681 HydrophobicContact CD1-CD2 4.27Å; Y2608-Y2681 HydrophobicContact CD1-CG 4.32Å; Y2608-Y2681 AromaticContact CD2-CD2 3.97Å; Y2608-Y2681 HydrophobicContact CD2-CD2 4.01Å; Y2608-Y2681 AromaticContact CD2-CE2 3.87Å; Y2608-Y2681 HydrophobicContact CD2-CE2 4.03Å; Y2608-Y2681 HydrophobicContact CG-CD1 4.4Å; Y2608-Y2681 AromaticContact CG-CD2 3.74Å; Y2608-Y2681 HydrophobicContact CG-CD2 3.83Å; Y2608-Y2681 AromaticContact CG-CE2 3.82Å; Y2608-Y2681 HydrophobicContact CG-CE2 4.07Å; Y2608-Y2681 AromaticContact CG-CG 3.95Å; Y2608-Y2681 HydrophobicContact CG-CG 3.98Å; D2609-Y2681 VanDerWaalsContact OD1-CE1 3.3Å; D2609-Y2681 WeakPolarHBondContact OD1-CE1 3.32Å; D2609-Y2681 VanDerWaalsContact OD1-CZ 3.24Å; D2609-Y2681 PolarHBondContact OD1-OH 3.12Å; Y2612-Y2681 HydrophobicContact CD1-CD1 4.46Å; Y2612-Y2681 HydrophobicContact CG-CD1 4.26Å; V2677-Y2681 HydrophobicContact CB-CD2 4.42Å; V2677-Y2681 HydrophobicContact CG1-CD2 4.08Å; V2677-Y2681 HydrophobicContact CG1-CE2 4.44Å; V2677-Y2681 WeakPolarHBondContact O-CA 3.05Å; V2677-Y2681 WeakPolarHBondContact O-CB 3.33Å; V2677-Y2681 WeakPolarHBondContact O-CD2 3.21Å; V2677-Y2681 PolarHBondContact O-N 3.05Å; R2679-Y2681 VanDerWaalsContact C-N 3.35Å; Y2681-D2683 PolarHBondContact O-N 3.05Å; Y2681-D2683 VanDerWaalsContact O-N 3.1Å; Y2681-C2684 WeakPolarHBondContact O-CA 3.35Å; Y2681-C2684 WeakPolarHBondContact O-CB 3.36Å; Y2681-C2684 PolarHBondContact O-N 3.34Å; Y2681-F2685 WeakPolarHBondContact O-CD2 3.35Å
2682A77.3Confident80Confident19.2 Ų19.246.2 Ų46.216%0.15923%0.231CC..Hα-helixtrans-51.9-35.2-176.900000113.2M2382 S2678 C2684 F2685 R2686M2382-A2682 HydrophobicContact CE-CB 4.19Å; S2678-A2682 VanDerWaalsContact O-CA 3.28Å; S2678-A2682 WeakPolarHBondContact O-CA 3.39Å; S2678-A2682 VanDerWaalsContact O-CB 3.31Å; S2678-A2682 WeakPolarHBondContact O-CB 3.4Å; S2678-A2682 PolarHBondContact O-N 3.18Å; S2678-A2682 VanDerWaalsContact O-N 3.13Å; A2682-C2684 VanDerWaalsContact C-N 3.32Å; A2682-C2684 PolarHBondContact O-N 3.22Å; A2682-F2685 PolarHBondContact O-N 3.18Å; A2682-R2686 WeakPolarHBondContact O-CD 3.02Å; A2682-R2686 VanDerWaalsContact O-CG 3.29Å; A2682-R2686 WeakPolarHBondContact O-CG 3.37Å; A2682-R2686 PolarHBondContact O-N 3.27Å; A2682-R2686 VanDerWaalsContact O-N 3.12Å
2683D75.3Confident80.5Confident52.2 Ų52.242.4 Ų42.428%0.27920%0.201SC..Hα-helixtrans-65.4-33.2177.4-65.6-25.2000112.9T2324 Y2612 Y2681 F2685 R2686 E2687T2324-D2683 WeakPolarHBondContact CG2-OD1 3.41Å; Y2612-D2683 HydrophobicContact CD2-CB 4.01Å; Y2612-D2683 HydrophobicContact CE1-CB 4.38Å; Y2612-D2683 HydrophobicContact CE2-CB 3.52Å; Y2612-D2683 VanDerWaalsContact CE2-CB 3.45Å; Y2612-D2683 VanDerWaalsContact CZ-CB 3.47Å; Y2612-D2683 WeakPolarHBondContact OH-CB 3.46Å; Y2612-D2683 PolarHBondContact OH-OD2 2.91Å; Y2681-D2683 PolarHBondContact O-N 3.05Å; Y2681-D2683 VanDerWaalsContact O-N 3.1Å; D2683-F2685 VanDerWaalsContact C-N 3.32Å; D2683-F2685 PolarHBondContact O-N 3.17Å; D2683-R2686 WeakPolarHBondContact O-CB 3.3Å; D2683-R2686 PolarHBondContact O-N 3.18Å; D2683-R2686 IonicContact OD1-CZ 3.83Å; D2683-R2686 IonicContact OD1-NH1 3.19Å; D2683-R2686 PolarHBondContact OD1-NH1 2.99Å; D2683-E2687 WeakPolarHBondContact O-CG 3.3Å; D2683-E2687 PolarHBondContact O-N 3Å; D2683-E2687 VanDerWaalsContact O-N 3.11Å
2684C79.5Confident80.6Confident2.6 Ų2.641.2 Ų41.22%0.01820%0.195CC..Hα-helixtrans-59.2-45173.9-158.80000111.6Y2612 L2615 Y2681 A2682 R2686 E2687 C2688Y2612-C2684 WeakPolarHBondContact CB-SG 3.45Å; Y2612-C2684 HydrophobicContact CD2-CB 4.14Å; Y2612-C2684 HydrophobicContact CE2-CB 4.31Å; L2615-C2684 HydrophobicContact CD1-CB 4.47Å; L2615-C2684 VanDerWaalsContact CD1-SG 3.5Å; L2615-C2684 WeakPolarHBondContact CD1-SG 3.42Å; Y2681-C2684 WeakPolarHBondContact O-CA 3.35Å; Y2681-C2684 WeakPolarHBondContact O-CB 3.36Å; Y2681-C2684 PolarHBondContact O-N 3.34Å; A2682-C2684 VanDerWaalsContact C-N 3.32Å; A2682-C2684 PolarHBondContact O-N 3.22Å; C2684-R2686 VanDerWaalsContact C-N 3.28Å; C2684-R2686 PolarHBondContact O-N 2.96Å; C2684-E2687 PolarHBondContact O-N 3.11Å; C2684-C2688 PolarHBondContact O-N 3.34Å; C2684-C2688 PolarHBondContact O-SG 2.84Å
2685F80.5Confident80.7Confident13 Ų1345.7 Ų45.76%0.05721%0.214CC..Hα-helixtrans-68.6-28.9178.7-68-102.6000111.8V2537 I2539 L2667 V2677 Y2681 A2682 D2683 C2688 V2690V2537-F2685 HydrophobicContact CB-CD1 4.47Å; V2537-F2685 HydrophobicContact CG1-CD1 3.98Å; V2537-F2685 HydrophobicContact CG1-CE1 3.86Å; V2537-F2685 HydrophobicContact CG2-CD1 4.35Å; I2539-F2685 HydrophobicContact CD1-CD1 4.46Å; I2539-F2685 HydrophobicContact CD1-CE1 4.24Å; L2667-F2685 HydrophobicContact CD1-CE1 3.66Å; L2667-F2685 VanDerWaalsContact CD1-CE1 3.43Å; L2667-F2685 HydrophobicContact CD1-CZ 3.72Å; L2667-F2685 VanDerWaalsContact CD1-CZ 3.46Å; V2677-F2685 HydrophobicContact CG1-CE2 4.3Å; V2677-F2685 HydrophobicContact CG1-CZ 4.24Å; Y2681-F2685 WeakPolarHBondContact O-CD2 3.35Å; A2682-F2685 PolarHBondContact O-N 3.18Å; D2683-F2685 VanDerWaalsContact C-N 3.32Å; D2683-F2685 PolarHBondContact O-N 3.17Å; F2685-C2688 PolarHBondContact O-N 3.08Å; F2685-C2688 VanDerWaalsContact O-O 3.11Å; F2685-V2690 HydrophobicContact CB-CG2 4.35Å; F2685-V2690 HydrophobicContact CD1-CG2 4.4Å; F2685-V2690 WeakPolarHBondContact O-CG2 3.38Å
2686R78.8Confident81.1Confident65.6 Ų65.642.3 Ų42.325%0.24820%0.195CC..Hα-helixtrans-74.2-33.3178.6-71.6170.1177.9-174.3-1113.4T2324 A2385 K2533 A2682 D2683 C2684 C2688T2324-R2686 VanDerWaalsContact CB-NH1 3.28Å; T2324-R2686 PolarHBondContact O-NH1 3.26Å; T2324-R2686 PolarHBondContact OG1-NH1 3.14Å; T2324-R2686 PolarHBondContact OG1-NH2 3.41Å; A2385-R2686 VanDerWaalsContact CB-NH2 3.29Å; K2533-R2686 WeakPolarHBondContact CD-O 3.09Å; K2533-R2686 WeakPolarHBondContact CE-O 3.38Å; K2533-R2686 PolarHBondContact NZ-O 3.07Å; A2682-R2686 WeakPolarHBondContact O-CD 3.02Å; A2682-R2686 VanDerWaalsContact O-CG 3.29Å; A2682-R2686 WeakPolarHBondContact O-CG 3.37Å; A2682-R2686 PolarHBondContact O-N 3.27Å; A2682-R2686 VanDerWaalsContact O-N 3.12Å; D2683-R2686 WeakPolarHBondContact O-CB 3.3Å; D2683-R2686 PolarHBondContact O-N 3.18Å; D2683-R2686 IonicContact OD1-CZ 3.83Å; D2683-R2686 IonicContact OD1-NH1 3.19Å; D2683-R2686 PolarHBondContact OD1-NH1 2.99Å; C2684-R2686 VanDerWaalsContact C-N 3.28Å; C2684-R2686 PolarHBondContact O-N 2.96Å; R2686-C2688 VanDerWaalsContact C-N 3.32Å; R2686-C2688 PolarHBondContact O-N 3.01Å
2687E82Confident81.5Confident63 Ų6342 Ų4229%0.29419%0.192SC..Hα-helixtrans-74.7-12.6175.1-61.9-56.8144.200112.7K2533 Y2612 L2615 K2616 D2683 C2684K2533-E2687 WeakPolarHBondContact CA-O 3.34Å; K2533-E2687 WeakPolarHBondContact CB-O 3.41Å; K2533-E2687 WeakPolarHBondContact CG-O 3.39Å; Y2612-E2687 HydrophobicContact CE2-CG 4.37Å; L2615-E2687 HydrophobicContact CB-CB 4.04Å; K2616-E2687 HydrophobicContact CB-CG 4.41Å; K2616-E2687 VanDerWaalsContact CD-CD 3.41Å; K2616-E2687 HydrophobicContact CD-CG 3.98Å; K2616-E2687 WeakPolarHBondContact CD-OE1 3.48Å; K2616-E2687 WeakPolarHBondContact CD-OE2 3.3Å; K2616-E2687 IonicContact NZ-OE1 2.98Å; K2616-E2687 PolarHBondContact NZ-OE1 3.12Å; K2616-E2687 IonicContact NZ-OE2 3.21Å; K2616-E2687 PolarHBondContact NZ-OE2 3.31Å; K2616-E2687 VanDerWaalsContact NZ-OE2 3.15Å; D2683-E2687 WeakPolarHBondContact O-CG 3.3Å; D2683-E2687 PolarHBondContact O-N 3Å; D2683-E2687 VanDerWaalsContact O-N 3.11Å; C2684-E2687 PolarHBondContact O-N 3.11Å
2688C87.8Confident81.9Confident0.2 Ų0.245.5 Ų45.50%0.00121%0.214CC..SBendtrans-104.5160.6178.3-64.20000112.7S2535 V2537 L2615 C2684 F2685 R2686 V2690S2535-C2688 VanDerWaalsContact CB-SG 3.59Å; S2535-C2688 CarbonylContact O-C 3.44Å; S2535-C2688 VanDerWaalsContact O-CA 3.28Å; S2535-C2688 WeakPolarHBondContact O-CA 3.32Å; S2535-C2688 WeakPolarHBondContact O-CB 3.39Å; V2537-C2688 HydrophobicContact CG2-CB 3.57Å; L2615-C2688 VanDerWaalsContact CD1-SG 3.56Å; C2684-C2688 PolarHBondContact O-N 3.34Å; C2684-C2688 PolarHBondContact O-SG 2.84Å; F2685-C2688 PolarHBondContact O-N 3.08Å; F2685-C2688 VanDerWaalsContact O-O 3.11Å; R2686-C2688 VanDerWaalsContact C-N 3.32Å; R2686-C2688 PolarHBondContact O-N 3.01Å; C2688-V2690 PolarHBondContact O-N 2.9Å
2689T89.1Confident82.4Confident11 Ų1148.1 Ų48.17%0.06723%0.231CC..EExtended strand (participates in β ladder)trans-81.3114.1161.7-59.60000108.4A2527 K2533 S2535 V2536 V2537 I2691A2527-T2689 HydrophobicContact CB-CG2 3.89Å; K2533-T2689 PolarHBondContact O-OG1 3.19Å; S2535-T2689 PolarHBondContact O-N 2.99Å; V2536-T2689 CarbonylContact C-O 3.54Å; V2536-T2689 VanDerWaalsContact CA-O 3.3Å; V2536-T2689 WeakPolarHBondContact CA-O 3.45Å; V2536-T2689 WeakPolarHBondContact CG1-O 3.45Å; V2537-T2689 PolarHBondContact N-O 3.06Å; T2689-I2691 HydrophobicContact CG2-CG1 4.23Å
2690V88.5Confident82.9Confident6.4 Ų6.440.8 Ų40.84%0.03920%0.204CC..EExtended strand (participates in β ladder)trans-90.4125.5178.3-177.30000109.1D2425 R2426 V2537 I2539 F2685 C2688D2425-V2690 CarbonylContact C-O 3.51Å; R2426-V2690 HydrophobicContact CG-CB 4.14Å; V2537-V2690 HydrophobicContact CB-CG1 4.5Å; V2537-V2690 HydrophobicContact CB-CG2 4.22Å; V2537-V2690 HydrophobicContact CG2-CG2 4.39Å; V2537-V2690 CarbonylContact O-C 3.53Å; V2537-V2690 WeakPolarHBondContact O-CA 3.34Å; I2539-V2690 HydrophobicContact CD1-CG1 3.71Å; I2539-V2690 HydrophobicContact CG1-CG1 4.27Å; F2685-V2690 HydrophobicContact CB-CG2 4.35Å; F2685-V2690 HydrophobicContact CD1-CG2 4.4Å; F2685-V2690 WeakPolarHBondContact O-CG2 3.38Å; C2688-V2690 PolarHBondContact O-N 2.9Å
2691I89.7Confident83.5Confident0.6 Ų0.633.4 Ų33.40%0.00318%0.177CC..EExtended strand (participates in β ladder)trans-122115.2176.8-44.7176.1000108.4D2425 L2520 R2523 M2524 V2536 V2537 L2538 I2539 T2689 F2693D2425-I2691 HydrophobicContact CB-CG2 4.11Å; D2425-I2691 CarbonylContact O-C 3.45Å; D2425-I2691 WeakPolarHBondContact O-CA 3.38Å; L2520-I2691 HydrophobicContact CD2-CG2 4.47Å; R2523-I2691 HydrophobicContact CB-CD1 4.03Å; M2524-I2691 HydrophobicContact CG-CD1 3.95Å; V2536-I2691 HydrophobicContact CG1-CD1 3.78Å; V2536-I2691 HydrophobicContact CG1-CG1 4.09Å; V2537-I2691 PolarHBondContact O-N 3.26Å; L2538-I2691 WeakPolarHBondContact CA-O 3.37Å; L2538-I2691 HydrophobicContact CD2-CB 3.91Å; L2538-I2691 HydrophobicContact CD2-CD1 4Å; L2538-I2691 HydrophobicContact CD2-CG1 4.27Å; L2538-I2691 HydrophobicContact CD2-CG2 4.49Å; I2539-I2691 PolarHBondContact N-O 3Å; T2689-I2691 HydrophobicContact CG2-CG1 4.23Å; I2691-F2693 HydrophobicContact CB-CE2 4.13Å; I2691-F2693 HydrophobicContact CG2-CD2 3.99Å; I2691-F2693 HydrophobicContact CG2-CE2 3.33Å; I2691-F2693 VanDerWaalsContact CG2-CE2 3.43Å; I2691-F2693 HydrophobicContact CG2-CZ 4.15Å
2692S85.7Confident84Confident3.8 Ų3.833.6 Ų33.63%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-110.2123.6-175.6-132.10000111.3D2425 R2426 L2427 V2428 K2433 I2539D2425-S2692 WeakPolarHBondContact O-CB 3.42Å; D2425-S2692 PolarHBondContact O-N 3.27Å; R2426-S2692 WeakPolarHBondContact O-CB 3.29Å; R2426-S2692 PolarHBondContact O-OG 2.93Å; R2426-S2692 VanDerWaalsContact O-OG 3.1Å; L2427-S2692 WeakPolarHBondContact O-CB 3.31Å; V2428-S2692 VanDerWaalsContact CG2-OG 3.28Å; V2428-S2692 WeakPolarHBondContact CG2-OG 3.27Å; K2433-S2692 PolarHBondContact NZ-O 2.84Å; I2539-S2692 CarbonylContact O-C 3.22Å; I2539-S2692 WeakPolarHBondContact O-CA 3.33Å
2693F81.5Confident84.5Confident22.8 Ų22.836.9 Ų36.910%0.119%0.19CC..  trans-119.6125.5174.2-74.2-91000109.6E2516 K2519 L2520 I2539 G2540 P2541 L2544 I2691E2516-F2693 HydrophobicContact CB-CE1 4.43Å; E2516-F2693 HydrophobicContact CG-CD1 4.45Å; E2516-F2693 HydrophobicContact CG-CE1 4.37Å; K2519-F2693 HydrophobicContact CB-CE1 4.37Å; K2519-F2693 HydrophobicContact CB-CZ 4.21Å; K2519-F2693 HydrophobicContact CD-CE1 4.06Å; K2519-F2693 HydrophobicContact CD-CZ 4.17Å; K2519-F2693 HydrophobicContact CG-CE1 4.25Å; K2519-F2693 HydrophobicContact CG-CZ 3.96Å; L2520-F2693 HydrophobicContact CB-CE1 4.13Å; L2520-F2693 HydrophobicContact CB-CE2 4.2Å; L2520-F2693 HydrophobicContact CB-CZ 3.91Å; L2520-F2693 HydrophobicContact CD1-CD2 4.19Å; L2520-F2693 HydrophobicContact CD1-CE2 3.84Å; L2520-F2693 HydrophobicContact CD1-CZ 3.74Å; L2520-F2693 HydrophobicContact CD2-CD2 3.57Å; L2520-F2693 VanDerWaalsContact CD2-CD2 3.49Å; L2520-F2693 HydrophobicContact CD2-CE2 3.18Å; L2520-F2693 HydrophobicContact CD2-CZ 4Å; L2520-F2693 HydrophobicContact CG-CD2 3.98Å; L2520-F2693 HydrophobicContact CG-CE1 4.36Å; L2520-F2693 HydrophobicContact CG-CE2 3.79Å; L2520-F2693 VanDerWaalsContact CG-CE2 3.47Å; L2520-F2693 HydrophobicContact CG-CZ 3.97Å; I2539-F2693 PolarHBondContact O-N 3.01Å; G2540-F2693 WeakPolarHBondContact CA-O 3.25Å; P2541-F2693 VanDerWaalsContact CD-O 3.31Å; P2541-F2693 WeakPolarHBondContact CD-O 3.43Å; L2544-F2693 HydrophobicContact CD1-CB 3.62Å; L2544-F2693 WeakPolarHBondContact CD1-O 3.44Å; L2544-F2693 HydrophobicContact CD2-CB 4.41Å; I2691-F2693 HydrophobicContact CB-CE2 4.13Å; I2691-F2693 HydrophobicContact CG2-CD2 3.99Å; I2691-F2693 HydrophobicContact CG2-CE2 3.33Å; I2691-F2693 VanDerWaalsContact CG2-CE2 3.43Å; I2691-F2693 HydrophobicContact CG2-CZ 4.15Å
2694D77.1Confident85.1Confident62 Ų6234.6 Ų34.633%0.33218%0.178SC..  trans-85.2-63179.2174.430.2000110.9P2541P2541-D2694 VanDerWaalsContact CD-O 3.28Å; P2541-D2694 WeakPolarHBondContact CD-O 3.42Å; P2541-D2694 WeakPolarHBondContact CG-O 3.34Å
2695K80.9Confident85.5Confident113 Ų11334.5 Ų34.549%0.49118%0.177SC..  trans-150.3163-172.763-170.9174.9-168.40112.1T2747K2695-T2747 HydrophobicContact CB-CG2 4.06Å; K2695-T2747 WeakPolarHBondContact CB-OG1 3.38Å; K2695-T2747 HydrophobicContact CD-CG2 4.07Å
2696W85.8Confident85.9Confident21.6 Ų21.637.5 Ų37.58%0.08219%0.192CC..  trans-72.2144.8165.9-69.8-16.1000110.9I2514 G2543 L2544 M2701 T2704 P2749 Y2752 I2753I2514-W2696 HydrophobicContact CD1-CD2 3.81Å; I2514-W2696 VanDerWaalsContact CD1-CE2 3.42Å; I2514-W2696 HydrophobicContact CD1-CE3 4.42Å; I2514-W2696 HydrophobicContact CD1-CG 4.13Å; I2514-W2696 HydrophobicContact CD1-CH2 4.18Å; I2514-W2696 HydrophobicContact CD1-CZ2 3.68Å; I2514-W2696 HydrophobicContact CD1-CZ3 4.38Å; G2543-W2696 WeakPolarHBondContact O-CZ2 3.45Å; L2544-W2696 VanDerWaalsContact CD2-CD1 3.45Å; L2544-W2696 HydrophobicContact CD2-CG 4.36Å; W2696-M2701 HydrophobicContact CB-CG 3.92Å; W2696-M2701 HydrophobicContact CE3-CG 4.25Å; W2696-T2704 HydrophobicContact CH2-CG2 4.39Å; W2696-T2704 HydrophobicContact CZ3-CG2 4.06Å; W2696-P2749 HydrophobicContact CD2-CB 3.74Å; W2696-P2749 HydrophobicContact CD2-CG 3.87Å; W2696-P2749 HydrophobicContact CE3-CB 3.79Å; W2696-P2749 HydrophobicContact CE3-CG 4.31Å; W2696-P2749 HydrophobicContact CG-CB 4.48Å; W2696-P2749 HydrophobicContact CG-CG 4.15Å; W2696-P2749 HydrophobicContact CH2-CB 3.75Å; W2696-P2749 HydrophobicContact CZ2-CB 3.67Å; W2696-P2749 HydrophobicContact CZ2-CG 4.35Å; W2696-P2749 HydrophobicContact CZ3-CB 3.8Å; W2696-Y2752 HydrophobicContact CE3-CD1 4.43Å; W2696-Y2752 HydrophobicContact CZ3-CD1 4.26Å; W2696-I2753 HydrophobicContact CH2-CD1 3.83Å; W2696-I2753 HydrophobicContact CH2-CG1 4.16Å; W2696-I2753 HydrophobicContact CZ3-CD1 4.32Å; W2696-I2753 HydrophobicContact CZ3-CG1 4.34Å
2697T84.8Confident86.1Confident65 Ų6539 Ų3940%0.39920%0.198SC..  trans-66.3156.1167.956.30000110.8E2516 S2699 S2700 M2701E2516-T2697 VanDerWaalsContact OE1-CB 3.3Å; E2516-T2697 WeakPolarHBondContact OE1-CB 3.38Å; E2516-T2697 VanDerWaalsContact OE1-CG2 3.28Å; E2516-T2697 WeakPolarHBondContact OE1-CG2 3.38Å; E2516-T2697 PolarHBondContact OE1-N 3.21Å; E2516-T2697 PolarHBondContact OE1-OG1 3.17Å; T2697-S2699 VanDerWaalsContact C-N 3.28Å; T2697-S2699 PolarHBondContact O-N 3.02Å; T2697-S2699 PolarHBondContact OG1-OG 3.18Å; T2697-S2699 VanDerWaalsContact OG1-OG 3.09Å; T2697-S2700 WeakPolarHBondContact O-CB 3.34Å; T2697-S2700 PolarHBondContact O-N 3.02Å; T2697-S2700 VanDerWaalsContact O-N 3.13Å; T2697-S2700 VanDerWaalsContact OG1-CB 3.28Å; T2697-S2700 WeakPolarHBondContact OG1-CB 3.38Å; T2697-S2700 PolarHBondContact OG1-N 3.22Å; T2697-S2700 PolarHBondContact OG1-OG 2.99Å; T2697-S2700 VanDerWaalsContact OG1-OG 3.09Å; T2697-M2701 WeakPolarHBondContact O-CG 3.43Å; T2697-M2701 PolarHBondContact O-N 3.14Å
2698T85.6Confident86.2Confident87.8 Ų87.836.7 Ų36.754%0.53919%0.188SC..Hα-helixtrans-58.2-40.4177.9-41.80000111.8S2700 M2701 V2702 Q2736T2698-S2700 PolarHBondContact O-N 3.36Å; T2698-M2701 PolarHBondContact O-N 3.24Å; T2698-V2702 VanDerWaalsContact O-CG2 3.3Å; T2698-V2702 WeakPolarHBondContact O-CG2 3.39Å; T2698-V2702 PolarHBondContact O-N 2.97Å; T2698-Q2736 HydrophobicContact CG2-CG 4.42Å
2699S86.8Confident86Confident66.6 Ų66.637.2 Ų37.247%0.46619%0.191SC..Hα-helixtrans-58.7-47.4175.443.50000111.9T2697 M2701 V2702 K2703T2697-S2699 VanDerWaalsContact C-N 3.28Å; T2697-S2699 PolarHBondContact O-N 3.02Å; T2697-S2699 PolarHBondContact OG1-OG 3.18Å; T2697-S2699 VanDerWaalsContact OG1-OG 3.09Å; S2699-M2701 PolarHBondContact O-N 3.13Å; S2699-V2702 PolarHBondContact O-N 3.23Å; S2699-K2703 WeakPolarHBondContact O-CB 3.42Å; S2699-K2703 WeakPolarHBondContact O-CG 3.46Å; S2699-K2703 PolarHBondContact O-N 3.16Å
2700S88.7Confident85.3Confident1.2 Ų1.241.1 Ų41.11%0.00821%0.211CC..Hα-helixtrans-65.2-38.2178.1-68.40000113.1I2514 E2516 T2697 T2698 V2702 K2703 T2704I2514-S2700 WeakPolarHBondContact CG2-OG 3.5Å; E2516-S2700 VanDerWaalsContact CD-OG 3.3Å; E2516-S2700 PolarHBondContact OE1-OG 3.33Å; E2516-S2700 WeakPolarHBondContact OE2-CB 3.41Å; E2516-S2700 PolarHBondContact OE2-OG 3.27Å; T2697-S2700 WeakPolarHBondContact O-CB 3.34Å; T2697-S2700 PolarHBondContact O-N 3.02Å; T2697-S2700 VanDerWaalsContact O-N 3.13Å; T2697-S2700 VanDerWaalsContact OG1-CB 3.28Å; T2697-S2700 WeakPolarHBondContact OG1-CB 3.38Å; T2697-S2700 PolarHBondContact OG1-N 3.22Å; T2697-S2700 PolarHBondContact OG1-OG 2.99Å; T2697-S2700 VanDerWaalsContact OG1-OG 3.09Å; T2698-S2700 PolarHBondContact O-N 3.36Å; S2700-V2702 VanDerWaalsContact C-N 3.32Å; S2700-V2702 PolarHBondContact O-N 3.19Å; S2700-K2703 PolarHBondContact O-N 3.11Å; S2700-T2704 WeakPolarHBondContact O-CB 3.29Å; S2700-T2704 PolarHBondContact O-N 3.21Å; S2700-T2704 PolarHBondContact O-OG1 3.13Å
2701M88.8Confident83.9Confident9.6 Ų9.643 Ų435%0.04722%0.223CC..Hα-helixtrans-62.9-42.2173.1-69.6-175.173.800111.9W2696 T2697 T2698 S2699 T2704 A2705 Q2736 Y2739 Y2752W2696-M2701 HydrophobicContact CB-CG 3.92Å; W2696-M2701 HydrophobicContact CE3-CG 4.25Å; T2697-M2701 WeakPolarHBondContact O-CG 3.43Å; T2697-M2701 PolarHBondContact O-N 3.14Å; T2698-M2701 PolarHBondContact O-N 3.24Å; S2699-M2701 PolarHBondContact O-N 3.13Å; M2701-T2704 PolarHBondContact O-N 2.87Å; M2701-A2705 WeakPolarHBondContact O-CB 3.26Å; M2701-A2705 PolarHBondContact O-N 3.26Å; M2701-Q2736 HydrophobicContact CB-CG 3.74Å; M2701-Q2736 HydrophobicContact CE-CG 4.21Å; M2701-Q2736 HydrophobicContact SD-CG 4.26Å; M2701-Y2739 HydrophobicContact CE-CD1 3.57Å; M2701-Y2739 VanDerWaalsContact CE-CD1 3.41Å; M2701-Y2739 HydrophobicContact CE-CE1 3.88Å; M2701-Y2739 HydrophobicContact CE-CG 4.41Å; M2701-Y2752 HydrophobicContact CB-CD1 4.49Å; M2701-Y2752 HydrophobicContact CB-CE1 3.81Å; M2701-Y2752 HydrophobicContact CE-CD1 3.82Å; M2701-Y2752 HydrophobicContact CE-CD2 3.74Å; M2701-Y2752 HydrophobicContact CE-CE1 3.84Å; M2701-Y2752 HydrophobicContact CE-CE2 3.77Å; M2701-Y2752 HydrophobicContact CE-CG 3.75Å; M2701-Y2752 HydrophobicContact CG-CD1 4.42Å; M2701-Y2752 HydrophobicContact CG-CE1 4.19Å; M2701-Y2752 VanDerWaalsContact O-CE1 3.26Å; M2701-Y2752 WeakPolarHBondContact O-CE1 3.32Å; M2701-Y2752 PolarHBondContact O-OH 3.26Å
2702V89.5Confident82.1Confident18.6 Ų18.647.5 Ų47.511%0.11324%0.244CC..Hα-helixtrans-67-46177.1171.80000111.1T2698 S2699 S2700 T2704 A2705 Q2706 P2732 E2733 Q2736T2698-V2702 VanDerWaalsContact O-CG2 3.3Å; T2698-V2702 WeakPolarHBondContact O-CG2 3.39Å; T2698-V2702 PolarHBondContact O-N 2.97Å; S2699-V2702 PolarHBondContact O-N 3.23Å; S2700-V2702 VanDerWaalsContact C-N 3.32Å; S2700-V2702 PolarHBondContact O-N 3.19Å; V2702-T2704 VanDerWaalsContact C-N 3.28Å; V2702-T2704 PolarHBondContact O-N 3.02Å; V2702-A2705 WeakPolarHBondContact O-CB 3.14Å; V2702-A2705 PolarHBondContact O-N 3.24Å; V2702-A2705 VanDerWaalsContact O-N 3.12Å; V2702-Q2706 HydrophobicContact CG1-CG 4.4Å; V2702-Q2706 WeakPolarHBondContact O-CG 3.38Å; V2702-Q2706 PolarHBondContact O-N 2.98Å; V2702-P2732 HydrophobicContact CG1-CB 4.33Å; V2702-E2733 HydrophobicContact CG1-CG 4.12Å; V2702-E2733 WeakPolarHBondContact CG1-OE1 3.29Å; V2702-E2733 HydrophobicContact CG2-CG 4.19Å; V2702-Q2736 HydrophobicContact CG2-CB 4.09Å; V2702-Q2736 HydrophobicContact CG2-CG 4.16Å
2703K87.4Confident80.2Confident88.4 Ų88.454.2 Ų54.238%0.38428%0.279SS..Hα-helixtrans-56.8-42.7174.8-133.6179.8-175.7-177.20111.5V2512 I2513 I2514 D2515 S2699 S2700 Q2706 Y2707V2512-K2703 HydrophobicContact CG1-CB 4.48Å; V2512-K2703 HydrophobicContact CG1-CD 4.45Å; V2512-K2703 HydrophobicContact CG1-CG 4.25Å; I2513-K2703 VanDerWaalsContact O-CE 3.26Å; I2513-K2703 WeakPolarHBondContact O-CE 3.26Å; I2513-K2703 PolarHBondContact O-NZ 3.39Å; I2514-K2703 HydrophobicContact CG2-CB 4.3Å; I2514-K2703 HydrophobicContact CG2-CD 4.44Å; D2515-K2703 IonicContact OD1-NZ 3.6Å; D2515-K2703 PolarHBondContact OD1-NZ 3.38Å; D2515-K2703 IonicContact OD2-NZ 3.68Å; S2699-K2703 WeakPolarHBondContact O-CB 3.42Å; S2699-K2703 WeakPolarHBondContact O-CG 3.46Å; S2699-K2703 PolarHBondContact O-N 3.16Å; S2700-K2703 PolarHBondContact O-N 3.11Å; K2703-Q2706 PolarHBondContact O-N 3.16Å; K2703-Y2707 PolarHBondContact O-N 3.14Å; K2703-Y2707 VanDerWaalsContact O-N 3.12Å
2704T88.4Confident78.2Confident4.8 Ų4.856.8 Ų56.83%0.02931%0.313CS..Hα-helixtrans-64.6-43.3176.1-55.60000111.7V2512 I2514 W2696 S2700 M2701 V2702 Y2707 V2708 I2753 L2756V2512-T2704 HydrophobicContact CG2-CG2 4.37Å; I2514-T2704 WeakPolarHBondContact CD1-OG1 3.45Å; W2696-T2704 HydrophobicContact CH2-CG2 4.39Å; W2696-T2704 HydrophobicContact CZ3-CG2 4.06Å; S2700-T2704 WeakPolarHBondContact O-CB 3.29Å; S2700-T2704 PolarHBondContact O-N 3.21Å; S2700-T2704 PolarHBondContact O-OG1 3.13Å; M2701-T2704 PolarHBondContact O-N 2.87Å; V2702-T2704 VanDerWaalsContact C-N 3.28Å; V2702-T2704 PolarHBondContact O-N 3.02Å; T2704-Y2707 PolarHBondContact O-N 3.05Å; T2704-V2708 HydrophobicContact CG2-CG2 4.23Å; T2704-V2708 WeakPolarHBondContact O-CB 3.36Å; T2704-V2708 VanDerWaalsContact O-CG2 3.29Å; T2704-V2708 WeakPolarHBondContact O-CG2 3.33Å; T2704-V2708 PolarHBondContact O-N 3.2Å; T2704-I2753 HydrophobicContact CG2-CG1 4.39Å; T2704-L2756 HydrophobicContact CG2-CD1 4.24Å
2705A89Confident76.2Confident0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-64-42.7176.300000112.4M2701 V2702 Y2707 V2708 L2709 P2732 Y2752 L2756M2701-A2705 WeakPolarHBondContact O-CB 3.26Å; M2701-A2705 PolarHBondContact O-N 3.26Å; V2702-A2705 WeakPolarHBondContact O-CB 3.14Å; V2702-A2705 PolarHBondContact O-N 3.24Å; V2702-A2705 VanDerWaalsContact O-N 3.12Å; A2705-Y2707 VanDerWaalsContact C-N 3.34Å; A2705-Y2707 PolarHBondContact O-N 3.13Å; A2705-V2708 PolarHBondContact O-N 3.23Å; A2705-L2709 HydrophobicContact CB-CD1 4.3Å; A2705-L2709 VanDerWaalsContact O-CB 3.25Å; A2705-L2709 WeakPolarHBondContact O-CB 3.37Å; A2705-L2709 WeakPolarHBondContact O-CD1 3.14Å; A2705-L2709 VanDerWaalsContact O-CG 3.24Å; A2705-L2709 WeakPolarHBondContact O-CG 3.29Å; A2705-L2709 PolarHBondContact O-N 3.19Å; A2705-P2732 HydrophobicContact CB-CB 3.82Å; A2705-Y2752 WeakPolarHBondContact CB-OH 3.35Å; A2705-L2756 HydrophobicContact CB-CD1 4.05Å; A2705-L2756 HydrophobicContact CB-CD2 3.72Å
2706Q87.1Confident73.9Confident76.2 Ų76.265.4 Ų65.436%0.35635%0.35SS..Hα-helixtrans-56-49.5174.4-74.6170.2-6.200110.8V2702 K2703 N2710 P2732 E2733V2702-Q2706 HydrophobicContact CG1-CG 4.4Å; V2702-Q2706 WeakPolarHBondContact O-CG 3.38Å; V2702-Q2706 PolarHBondContact O-N 2.98Å; K2703-Q2706 PolarHBondContact O-N 3.16Å; Q2706-N2710 WeakPolarHBondContact O-CB 3.37Å; Q2706-N2710 PolarHBondContact O-N 3.25Å; Q2706-N2710 PolarHBondContact O-ND2 3.22Å; Q2706-N2710 VanDerWaalsContact O-ND2 3.14Å; Q2706-P2732 HydrophobicContact CB-CB 4.46Å; Q2706-P2732 HydrophobicContact CB-CG 4.39Å; Q2706-P2732 HydrophobicContact CG-CB 3.76Å; Q2706-P2732 HydrophobicContact CG-CG 3.65Å; Q2706-E2733 PolarHBondContact NE2-OE1 2.78Å; Q2706-E2733 VanDerWaalsContact NE2-OE1 3.13Å
2707Y84.1Confident71.5Confident95.4 Ų95.468.9 Ų68.937%0.37437%0.37SS..Hα-helixtrans-63.4-52.2178.4-177.3-92.7000112.5V2512 K2703 T2704 A2705 L2709 N2710 V2711V2512-Y2707 HydrophobicContact CG1-CG 4.46Å; V2512-Y2707 HydrophobicContact CG2-CD1 3.35Å; V2512-Y2707 VanDerWaalsContact CG2-CD1 3.43Å; V2512-Y2707 HydrophobicContact CG2-CD2 4.22Å; V2512-Y2707 HydrophobicContact CG2-CE1 4.01Å; V2512-Y2707 HydrophobicContact CG2-CG 3.52Å; V2512-Y2707 VanDerWaalsContact CG2-CG 3.41Å; K2703-Y2707 PolarHBondContact O-N 3.14Å; K2703-Y2707 VanDerWaalsContact O-N 3.12Å; T2704-Y2707 PolarHBondContact O-N 3.05Å; A2705-Y2707 VanDerWaalsContact C-N 3.34Å; A2705-Y2707 PolarHBondContact O-N 3.13Å; Y2707-L2709 VanDerWaalsContact C-N 3.32Å; Y2707-L2709 PolarHBondContact O-N 3.04Å; Y2707-N2710 PolarHBondContact O-N 3.21Å; Y2707-V2711 HydrophobicContact CD1-CG2 4.33Å; Y2707-V2711 HydrophobicContact CD2-CG2 4.1Å; Y2707-V2711 HydrophobicContact CE1-CG2 4.21Å; Y2707-V2711 HydrophobicContact CE2-CG2 4.05Å; Y2707-V2711 HydrophobicContact CG-CG2 4.33Å; Y2707-V2711 WeakPolarHBondContact O-CB 3.39Å; Y2707-V2711 VanDerWaalsContact O-CG2 3.24Å; Y2707-V2711 WeakPolarHBondContact O-CG2 3.47Å; Y2707-V2711 PolarHBondContact O-N 3.16Å; Y2707-V2711 VanDerWaalsContact O-N 3.09Å
2708V84.7Confident69.1Low16.2 Ų16.269.8 Ų69.810%0.09838%0.384CS..Hα-helixtrans-64-40-174.6173.70000111.7T2704 A2705 L2756 N2757 K2760T2704-V2708 HydrophobicContact CG2-CG2 4.23Å; T2704-V2708 WeakPolarHBondContact O-CB 3.36Å; T2704-V2708 VanDerWaalsContact O-CG2 3.29Å; T2704-V2708 WeakPolarHBondContact O-CG2 3.33Å; T2704-V2708 PolarHBondContact O-N 3.2Å; A2705-V2708 PolarHBondContact O-N 3.23Å; V2708-L2756 HydrophobicContact CB-CB 4.28Å; V2708-L2756 HydrophobicContact CB-CD1 4.37Å; V2708-L2756 HydrophobicContact CG1-CB 3.76Å; V2708-L2756 HydrophobicContact CG2-CD1 4.43Å; V2708-N2757 VanDerWaalsContact CG1-OD1 3.3Å; V2708-N2757 WeakPolarHBondContact CG1-OD1 3.32Å; V2708-K2760 WeakPolarHBondContact O-CD 3.32Å; V2708-K2760 WeakPolarHBondContact O-CE 3.36Å; V2708-K2760 PolarHBondContact O-NZ 3.28Å
2709L83.4Confident66.5Low10 Ų1072.5 Ų72.55%0.05240%0.395CS..Hα-helixtrans-82.2-31.5-176.4-61.2171.6000113.1A2705 Y2707 F2731 A2735 L2756 I2759 K2760A2705-L2709 HydrophobicContact CB-CD1 4.3Å; A2705-L2709 VanDerWaalsContact O-CB 3.25Å; A2705-L2709 WeakPolarHBondContact O-CB 3.37Å; A2705-L2709 WeakPolarHBondContact O-CD1 3.14Å; A2705-L2709 VanDerWaalsContact O-CG 3.24Å; A2705-L2709 WeakPolarHBondContact O-CG 3.29Å; A2705-L2709 PolarHBondContact O-N 3.19Å; Y2707-L2709 VanDerWaalsContact C-N 3.32Å; Y2707-L2709 PolarHBondContact O-N 3.04Å; L2709-F2731 HydrophobicContact CD1-CD1 3.9Å; L2709-F2731 HydrophobicContact CD1-CE1 3.83Å; L2709-F2731 HydrophobicContact CD2-CE1 4.4Å; L2709-A2735 HydrophobicContact CD1-CB 4.3Å; L2709-L2756 HydrophobicContact CD1-CD2 4.13Å; L2709-L2756 HydrophobicContact CD2-CD2 4.42Å; L2709-L2756 HydrophobicContact CG-CD2 4.29Å; L2709-I2759 HydrophobicContact CD2-CB 4.12Å; L2709-I2759 HydrophobicContact CD2-CG2 3.86Å; L2709-K2760 HydrophobicContact CD2-CB 4.37Å
2710N73.4Confident64Low92.2 Ų92.277.7 Ų77.749%0.49341%0.411SS..Hα-helixtrans-87.3-22.6-177.5-63.9-16.2000114.1Q2706 Y2707 H2712 I2717Q2706-N2710 WeakPolarHBondContact O-CB 3.37Å; Q2706-N2710 PolarHBondContact O-N 3.25Å; Q2706-N2710 PolarHBondContact O-ND2 3.22Å; Q2706-N2710 VanDerWaalsContact O-ND2 3.14Å; Y2707-N2710 PolarHBondContact O-N 3.21Å; N2710-H2712 PolarHBondContact O-N 3.17Å; N2710-H2712 PolarHBondContact O-ND1 2.81Å; N2710-I2717 VanDerWaalsContact O-CD1 3.25Å; N2710-I2717 WeakPolarHBondContact O-CD1 3.16Å; N2710-I2717 WeakPolarHBondContact O-CG1 3.17Å
2711V60.5Low61.5Low48.2 Ų48.283.5 Ų83.529%0.29245%0.447SS..  trans-75.8104.9-179.5174.30000110.3Y2707 K2760Y2707-V2711 HydrophobicContact CD1-CG2 4.33Å; Y2707-V2711 HydrophobicContact CD2-CG2 4.1Å; Y2707-V2711 HydrophobicContact CE1-CG2 4.21Å; Y2707-V2711 HydrophobicContact CE2-CG2 4.05Å; Y2707-V2711 HydrophobicContact CG-CG2 4.33Å; Y2707-V2711 WeakPolarHBondContact O-CB 3.39Å; Y2707-V2711 VanDerWaalsContact O-CG2 3.24Å; Y2707-V2711 WeakPolarHBondContact O-CG2 3.47Å; Y2707-V2711 PolarHBondContact O-N 3.16Å; Y2707-V2711 VanDerWaalsContact O-N 3.09Å; V2711-K2760 WeakPolarHBondContact O-CE 3.42Å; V2711-K2760 PolarHBondContact O-NZ 3.26Å
2712H51.3Low59Low94.2 Ų94.288.2 Ų88.244%0.43647%0.471SS..  trans-96.3125.2171-85.7-33.4000110.2N2710 G2714 K2715 F2764N2710-H2712 PolarHBondContact O-N 3.17Å; N2710-H2712 PolarHBondContact O-ND1 2.81Å; H2712-G2714 VanDerWaalsContact C-N 3.3Å; H2712-G2714 PolarHBondContact O-N 3.33Å; H2712-K2715 PolarHBondContact N-O 3.16Å; H2712-K2715 CarbonylContact O-C 3.57Å; H2712-K2715 PolarHBondContact O-N 3.22Å; H2712-K2715 VanDerWaalsContact O-O 3.1Å; H2712-F2764 AromaticContact CE1-CD2 3.56Å; H2712-F2764 AromaticContact CE1-CE2 3.7Å; H2712-F2764 AromaticContact NE2-CD2 3.49Å; H2712-F2764 WeakPolarHBondContact NE2-CD2 3.34Å; H2712-F2764 AromaticContact NE2-CE2 3.91Å
2713D45.3Very low56.4Low143.8 Ų143.892 Ų9277%0.76950%0.499SS*.THydrogen-bonded Turntrans3.265.1178.1-69-22.2000115.1K2715 K2760D2713-K2715 VanDerWaalsContact C-N 3.27Å; D2713-K2715 PolarHBondContact O-N 3.09Å; D2713-K2715 VanDerWaalsContact O-N 3.12Å; D2713-K2760 IonicContact OD1-NZ 2.7Å; D2713-K2760 PolarHBondContact OD1-NZ 3.04Å
2714G39.4Very low53.8Low79 Ų7995 Ų9581%0.81452%0.519SS*.THydrogen-bonded Turntrans718.6169.900000116.3H2712H2712-G2714 VanDerWaalsContact C-N 3.3Å; H2712-G2714 PolarHBondContact O-N 3.33Å
2715K36.1Very low51.3Low168.4 Ų168.498.6 Ų98.673%0.73254%0.541SS*.  trans-116.6111.2171.1-68.8-175.8180179.20109.6H2712 D2713 I2717H2712-K2715 PolarHBondContact N-O 3.16Å; H2712-K2715 CarbonylContact O-C 3.57Å; H2712-K2715 PolarHBondContact O-N 3.22Å; H2712-K2715 VanDerWaalsContact O-O 3.1Å; D2713-K2715 VanDerWaalsContact C-N 3.27Å; D2713-K2715 PolarHBondContact O-N 3.09Å; D2713-K2715 VanDerWaalsContact O-N 3.12Å; K2715-I2717 PolarHBondContact O-N 2.9Å
2716E32.5Very low48.9Very low185.8 Ų185.8108.2 Ų108.287%0.86858%0.583SS**  trans-55.8120159.9-71.8178.7158.800107.5A2718E2716-A2718 VanDerWaalsContact C-N 3.31Å; E2716-A2718 PolarHBondContact O-N 2.99Å
2717I34.9Very low46.8Very low95.8 Ų95.8108.7 Ų108.749%0.49160%0.595SS.*  trans-67.3100.7168.2-60.4173.4000105.1N2710 K2715 D2719 I2722N2710-I2717 VanDerWaalsContact O-CD1 3.25Å; N2710-I2717 WeakPolarHBondContact O-CD1 3.16Å; N2710-I2717 WeakPolarHBondContact O-CG1 3.17Å; K2715-I2717 PolarHBondContact O-N 2.9Å; I2717-D2719 VanDerWaalsContact C-N 3.29Å; I2717-D2719 HydrophobicContact CG2-CB 3.76Å; I2717-D2719 WeakPolarHBondContact CG2-OD2 3.46Å; I2717-D2719 PolarHBondContact O-N 3.27Å; I2717-D2719 VanDerWaalsContact O-N 3.08Å; I2717-I2722 HydrophobicContact CB-CD1 4.42Å; I2717-I2722 HydrophobicContact CD1-CD1 4.14Å; I2717-I2722 HydrophobicContact CG2-CD1 4.16Å; I2717-I2722 HydrophobicContact CG2-CG1 4.31Å
2718A33.9Very low44.9Very low84.2 Ų84.2108 Ų10870%0.69660%0.6SS**  trans-56.7104.3171.400000109.2E2716 E2720E2716-A2718 VanDerWaalsContact C-N 3.31Å; E2716-A2718 PolarHBondContact O-N 2.99Å; A2718-E2720 VanDerWaalsContact C-N 3.29Å; A2718-E2720 PolarHBondContact O-N 3.05Å
2719D31.9Very low43.5Very low143 Ų143111.4 Ų111.477%0.76562%0.624SS**  trans-40.735.8175.1-86.7-32.8000115.9I2717 T2721 I2722I2717-D2719 VanDerWaalsContact C-N 3.29Å; I2717-D2719 HydrophobicContact CG2-CB 3.76Å; I2717-D2719 WeakPolarHBondContact CG2-OD2 3.46Å; I2717-D2719 PolarHBondContact O-N 3.27Å; I2717-D2719 VanDerWaalsContact O-N 3.08Å; D2719-T2721 VanDerWaalsContact C-N 3.31Å; D2719-T2721 PolarHBondContact O-N 2.9Å; D2719-I2722 PolarHBondContact O-N 3.33Å
2720E33.4Very low42.9Very low175.8 Ų175.8113.5 Ų113.582%0.82164%0.64SS**SBendtrans-89.1-5.4-179.7-68.5-167.8154.800114.1A2718 I2722 S2723A2718-E2720 VanDerWaalsContact C-N 3.29Å; A2718-E2720 PolarHBondContact O-N 3.05Å; E2720-I2722 PolarHBondContact O-N 2.59Å; E2720-I2722 VanDerWaalsContact O-N 3.13Å; E2720-S2723 WeakPolarHBondContact O-CB 3.35Å; E2720-S2723 PolarHBondContact O-N 3.41Å; E2720-S2723 PolarHBondContact O-OG 3.41Å
2721T36Very low43.4Very low123.8 Ų123.8111.1 Ų111.176%0.7663%0.626SS**SBendtrans-95.11.7177.216.60000117.6D2719D2719-T2721 VanDerWaalsContact C-N 3.31Å; D2719-T2721 PolarHBondContact O-N 2.9Å
2722I37.6Very low44.6Very low108 Ų108109.2 Ų109.255%0.55461%0.614SS**G310 helixtrans-107.111.2173.7-52.6177.7000112I2717 D2719 E2720 N2724 T2725 V2728I2717-I2722 HydrophobicContact CB-CD1 4.42Å; I2717-I2722 HydrophobicContact CD1-CD1 4.14Å; I2717-I2722 HydrophobicContact CG2-CD1 4.16Å; I2717-I2722 HydrophobicContact CG2-CG1 4.31Å; D2719-I2722 PolarHBondContact O-N 3.33Å; E2720-I2722 PolarHBondContact O-N 2.59Å; E2720-I2722 VanDerWaalsContact O-N 3.13Å; I2722-N2724 PolarHBondContact O-N 3.14Å; I2722-N2724 VanDerWaalsContact O-N 3.13Å; I2722-T2725 PolarHBondContact O-N 3.17Å; I2722-T2725 PolarHBondContact O-OG1 3.31Å; I2722-V2728 HydrophobicContact CG2-CG2 4.42Å
2723S34.5Very low46.3Very low98.2 Ų98.2108.1 Ų108.169%0.68761%0.609SS**G310 helixtrans-69.4-2.4176.358.30000113.7E2720E2720-S2723 WeakPolarHBondContact O-CB 3.35Å; E2720-S2723 PolarHBondContact O-N 3.41Å; E2720-S2723 PolarHBondContact O-OG 3.41Å
2724N33.3Very low48.2Very low151.2 Ų151.2103.1 Ų103.181%0.80958%0.584SS**G310 helixtrans-114.815.5-175.5-83.2-22.9000117.2I2722I2722-N2724 PolarHBondContact O-N 3.14Å; I2722-N2724 VanDerWaalsContact O-N 3.13Å
2725T35.7Very low50.4Low80.2 Ų80.299.4 Ų99.449%0.49255%0.545SS..  trans-121.791.9167.942.50000111.8I2722 S2727 V2728I2722-T2725 PolarHBondContact O-N 3.17Å; I2722-T2725 PolarHBondContact O-OG1 3.31Å; T2725-S2727 PolarHBondContact O-N 3Å; T2725-V2728 PolarHBondContact O-N 2.91Å; T2725-V2728 VanDerWaalsContact O-N 3.09Å; T2725-V2728 VanDerWaalsContact OG1-CG2 3.31Å; T2725-V2728 WeakPolarHBondContact OG1-CG2 3.23Å
2726K38.7Very low52.9Low202.4 Ų202.492.5 Ų92.588%0.8852%0.516SS*.THydrogen-bonded Turntrans-56.42.2167.4-73.8-178.2175.3179.30113.2V2728 S2729K2726-V2728 VanDerWaalsContact C-N 3.27Å; K2726-V2728 PolarHBondContact O-N 3.29Å; K2726-S2729 PolarHBondContact O-N 3.02Å; K2726-S2729 PolarHBondContact O-OG 3.42Å
2727S41.9Very low55.4Low86.6 Ų86.687.6 Ų87.661%0.60649%0.494SS*.THydrogen-bonded Turntrans-96.7-13.517258.90000113.4T2725 S2730T2725-S2727 PolarHBondContact O-N 3Å; S2727-S2730 PolarHBondContact O-OG 3.14Å
2728V44.9Very low57.8Low81.6 Ų81.683.7 Ų83.750%0.49547%0.474SS..SBendtrans-74.5-20.2-177.7-177.50000111.6I2722 T2725 K2726 S2730 F2731I2722-V2728 HydrophobicContact CG2-CG2 4.42Å; T2725-V2728 PolarHBondContact O-N 2.91Å; T2725-V2728 VanDerWaalsContact O-N 3.09Å; T2725-V2728 VanDerWaalsContact OG1-CG2 3.31Å; T2725-V2728 WeakPolarHBondContact OG1-CG2 3.23Å; K2726-V2728 VanDerWaalsContact C-N 3.27Å; K2726-V2728 PolarHBondContact O-N 3.29Å; V2728-S2730 PolarHBondContact O-N 3.23Å; V2728-F2731 WeakPolarHBondContact O-CB 3.38Å; V2728-F2731 PolarHBondContact O-N 3.26Å; V2728-F2731 VanDerWaalsContact O-N 3.1Å
2729S54.2Low60.3Low86.2 Ų86.279.8 Ų79.860%0.60344%0.442SS*.THydrogen-bonded Turntrans-60-7.8-17859.70000114.4K2726 E2733K2726-S2729 PolarHBondContact O-N 3.02Å; K2726-S2729 PolarHBondContact O-OG 3.42Å; S2729-E2733 VanDerWaalsContact O-OE2 3.05Å
2730S72.1Confident62.7Low54.6 Ų54.675.2 Ų75.238%0.38242%0.421SS..G310 helixtrans-95.810.9179.165.20000113.7S2727 V2728 P2732 E2733 T2734S2727-S2730 PolarHBondContact O-OG 3.14Å; V2728-S2730 PolarHBondContact O-N 3.23Å; S2730-P2732 VanDerWaalsContact C-N 3.28Å; S2730-E2733 WeakPolarHBondContact CA-OE2 3.28Å; S2730-E2733 PolarHBondContact N-OE2 3.4Å; S2730-E2733 WeakPolarHBondContact O-CB 3.35Å; S2730-E2733 PolarHBondContact O-N 3.2Å; S2730-E2733 VanDerWaalsContact OG-CG 3.28Å; S2730-E2733 WeakPolarHBondContact OG-CG 3.47Å; S2730-E2733 PolarHBondContact OG-OE1 3.48Å; S2730-T2734 WeakPolarHBondContact O-CB 3.27Å; S2730-T2734 PolarHBondContact O-N 3.13Å; S2730-T2734 VanDerWaalsContact O-N 3.17Å; S2730-T2734 PolarHBondContact O-OG1 3.14Å
2731F83.3Confident64.9Low42.4 Ų42.470.8 Ų70.819%0.18641%0.405CS..Hα-helixtrans-65-41.9-176.9-176-108.3000113.3L2709 V2728 E2733 T2734 A2735 I2759 Q2763 P3081 L3085L2709-F2731 HydrophobicContact CD1-CD1 3.9Å; L2709-F2731 HydrophobicContact CD1-CE1 3.83Å; L2709-F2731 HydrophobicContact CD2-CE1 4.4Å; V2728-F2731 WeakPolarHBondContact O-CB 3.38Å; V2728-F2731 PolarHBondContact O-N 3.26Å; V2728-F2731 VanDerWaalsContact O-N 3.1Å; F2731-E2733 VanDerWaalsContact C-N 3.31Å; F2731-E2733 PolarHBondContact O-N 3.1Å; F2731-T2734 WeakPolarHBondContact O-CB 3.24Å; F2731-T2734 PolarHBondContact O-N 3.27Å; F2731-T2734 VanDerWaalsContact O-N 3.16Å; F2731-A2735 PolarHBondContact O-N 3.11Å; F2731-I2759 HydrophobicContact CE1-CG2 4.04Å; F2731-I2759 HydrophobicContact CZ-CG2 3.93Å; F2731-Q2763 VanDerWaalsContact CE1-NE2 3.27Å; F2731-Q2763 VanDerWaalsContact CZ-NE2 3.34Å; F2731-P3081 HydrophobicContact CD2-CB 4.16Å; F2731-P3081 HydrophobicContact CE1-CB 4.46Å; F2731-P3081 HydrophobicContact CE2-CB 3.77Å; F2731-P3081 VanDerWaalsContact CE2-O 3.26Å; F2731-P3081 WeakPolarHBondContact CE2-O 3.26Å; F2731-P3081 HydrophobicContact CZ-CB 3.95Å; F2731-P3081 VanDerWaalsContact CZ-O 3.26Å; F2731-P3081 WeakPolarHBondContact CZ-O 3.33Å; F2731-L3085 HydrophobicContact CE2-CB 4.21Å; F2731-L3085 HydrophobicContact CE2-CD2 4.22Å; F2731-L3085 HydrophobicContact CZ-CB 4.15Å
2732P85.7Confident66.9Low7.8 Ų7.867.2 Ų67.25%0.05138%0.383CS..Hα-helixtrans-58.3-40.9173.1-27.238.2000113.8V2702 A2705 Q2706 S2730 T2734 A2735 Q2736V2702-P2732 HydrophobicContact CG1-CB 4.33Å; A2705-P2732 HydrophobicContact CB-CB 3.82Å; Q2706-P2732 HydrophobicContact CB-CB 4.46Å; Q2706-P2732 HydrophobicContact CB-CG 4.39Å; Q2706-P2732 HydrophobicContact CG-CB 3.76Å; Q2706-P2732 HydrophobicContact CG-CG 3.65Å; S2730-P2732 VanDerWaalsContact C-N 3.28Å; P2732-T2734 VanDerWaalsContact C-N 3.34Å; P2732-A2735 PolarHBondContact O-N 3.24Å; P2732-Q2736 WeakPolarHBondContact O-CB 3.36Å; P2732-Q2736 PolarHBondContact O-N 3.13Å
2733E86.3Confident68.5Low70.8 Ų70.863.4 Ų63.433%0.33137%0.365SS..Hα-helixtrans-65.5-40.6175.9-6687.3-163.900110.8V2702 Q2706 S2729 S2730 F2731 A2735 Q2736 M2737V2702-E2733 HydrophobicContact CG1-CG 4.12Å; V2702-E2733 WeakPolarHBondContact CG1-OE1 3.29Å; V2702-E2733 HydrophobicContact CG2-CG 4.19Å; Q2706-E2733 PolarHBondContact NE2-OE1 2.78Å; Q2706-E2733 VanDerWaalsContact NE2-OE1 3.13Å; S2729-E2733 VanDerWaalsContact O-OE2 3.05Å; S2730-E2733 WeakPolarHBondContact CA-OE2 3.28Å; S2730-E2733 PolarHBondContact N-OE2 3.4Å; S2730-E2733 WeakPolarHBondContact O-CB 3.35Å; S2730-E2733 PolarHBondContact O-N 3.2Å; S2730-E2733 VanDerWaalsContact OG-CG 3.28Å; S2730-E2733 WeakPolarHBondContact OG-CG 3.47Å; S2730-E2733 PolarHBondContact OG-OE1 3.48Å; F2731-E2733 VanDerWaalsContact C-N 3.31Å; F2731-E2733 PolarHBondContact O-N 3.1Å; E2733-A2735 VanDerWaalsContact C-N 3.33Å; E2733-A2735 PolarHBondContact O-N 3.48Å; E2733-Q2736 PolarHBondContact O-N 3.09Å; E2733-M2737 VanDerWaalsContact O-CB 3.29Å; E2733-M2737 WeakPolarHBondContact O-CB 3.34Å; E2733-M2737 PolarHBondContact O-N 2.99Å
2734T85.9Confident69.7Low39.6 Ų39.667 Ų6724%0.24337%0.371CS..Hα-helixtrans-63.1-43.4175.1-53.30000110.9S2730 F2731 P2732 Q2736 M2737 V2738 L3085 I3113S2730-T2734 WeakPolarHBondContact O-CB 3.27Å; S2730-T2734 PolarHBondContact O-N 3.13Å; S2730-T2734 VanDerWaalsContact O-N 3.17Å; S2730-T2734 PolarHBondContact O-OG1 3.14Å; F2731-T2734 WeakPolarHBondContact O-CB 3.24Å; F2731-T2734 PolarHBondContact O-N 3.27Å; F2731-T2734 VanDerWaalsContact O-N 3.16Å; P2732-T2734 VanDerWaalsContact C-N 3.34Å; T2734-Q2736 PolarHBondContact O-N 3.28Å; T2734-M2737 HydrophobicContact CG2-CE 4.45Å; T2734-M2737 PolarHBondContact O-N 3.02Å; T2734-V2738 HydrophobicContact CG2-CG2 4.4Å; T2734-V2738 WeakPolarHBondContact O-CB 3.33Å; T2734-V2738 VanDerWaalsContact O-CG2 3.3Å; T2734-V2738 WeakPolarHBondContact O-CG2 3.33Å; T2734-V2738 PolarHBondContact O-N 3.17Å; T2734-L3085 HydrophobicContact CG2-CD2 3.98Å; T2734-I3113 HydrophobicContact CG2-CG1 4.43Å
2735A86.6Confident70.7Confident0.6 Ų0.668.3 Ų68.31%0.00537%0.372CS..Hα-helixtrans-63.7-41.7177.600000112.3L2709 F2731 P2732 E2733 Y2739 F2755 L2756 I2759 L3085L2709-A2735 HydrophobicContact CD1-CB 4.3Å; F2731-A2735 PolarHBondContact O-N 3.11Å; P2732-A2735 PolarHBondContact O-N 3.24Å; E2733-A2735 VanDerWaalsContact C-N 3.33Å; E2733-A2735 PolarHBondContact O-N 3.48Å; A2735-Y2739 WeakPolarHBondContact O-CB 3.31Å; A2735-Y2739 PolarHBondContact O-N 3.15Å; A2735-Y2739 VanDerWaalsContact O-N 3.09Å; A2735-F2755 WeakPolarHBondContact O-CE1 3.47Å; A2735-L2756 HydrophobicContact CB-CD2 4.32Å; A2735-I2759 HydrophobicContact CB-CD1 4.27Å; A2735-L3085 HydrophobicContact CB-CD1 3.82Å
2736Q87.6Confident71.6Confident23.6 Ų23.667.4 Ų67.411%0.1137%0.369CS..Hα-helixtrans-61.7-48.3174-178.3-81.5-32.100111.5T2698 M2701 V2702 P2732 E2733 T2734 V2738 Y2739 C2740 Y2752T2698-Q2736 HydrophobicContact CG2-CG 4.42Å; M2701-Q2736 HydrophobicContact CB-CG 3.74Å; M2701-Q2736 HydrophobicContact CE-CG 4.21Å; M2701-Q2736 HydrophobicContact SD-CG 4.26Å; V2702-Q2736 HydrophobicContact CG2-CB 4.09Å; V2702-Q2736 HydrophobicContact CG2-CG 4.16Å; P2732-Q2736 WeakPolarHBondContact O-CB 3.36Å; P2732-Q2736 PolarHBondContact O-N 3.13Å; E2733-Q2736 PolarHBondContact O-N 3.09Å; T2734-Q2736 PolarHBondContact O-N 3.28Å; Q2736-V2738 PolarHBondContact O-N 3.15Å; Q2736-Y2739 PolarHBondContact O-N 3.3Å; Q2736-C2740 PolarHBondContact NE2-SG 3.02Å; Q2736-C2740 PolarHBondContact O-N 3.1Å; Q2736-Y2752 WeakPolarHBondContact CB-OH 3.37Å
2737M85.3Confident72.8Confident83.4 Ų83.459.7 Ų59.741%0.41134%0.339SS..Hα-helixtrans-61.5-45.7-179.6178.8-120.4-60.300111.6E2733 T2734 Y2739 C2740 T2741 V3112E2733-M2737 VanDerWaalsContact O-CB 3.29Å; E2733-M2737 WeakPolarHBondContact O-CB 3.34Å; E2733-M2737 PolarHBondContact O-N 2.99Å; T2734-M2737 HydrophobicContact CG2-CE 4.45Å; T2734-M2737 PolarHBondContact O-N 3.02Å; M2737-Y2739 VanDerWaalsContact C-N 3.33Å; M2737-Y2739 PolarHBondContact O-N 3.22Å; M2737-C2740 PolarHBondContact O-N 3.01Å; M2737-C2740 VanDerWaalsContact O-N 3.15Å; M2737-T2741 WeakPolarHBondContact O-CB 3.36Å; M2737-T2741 PolarHBondContact O-N 3.13Å; M2737-T2741 PolarHBondContact O-OG1 3.21Å; M2737-V3112 HydrophobicContact CE-CG1 3.46Å; M2737-V3112 HydrophobicContact SD-CG1 3.98Å
2738V85.2Confident74.6Confident13.2 Ų13.256.9 Ų56.98%0.0832%0.318CS..Hα-helixtrans-62.1-43.9177.9170.10000111T2734 Q2736 C2740 T2741 V2742 F2755 L3085 M3089 L3109 I3113T2734-V2738 HydrophobicContact CG2-CG2 4.4Å; T2734-V2738 WeakPolarHBondContact O-CB 3.33Å; T2734-V2738 VanDerWaalsContact O-CG2 3.3Å; T2734-V2738 WeakPolarHBondContact O-CG2 3.33Å; T2734-V2738 PolarHBondContact O-N 3.17Å; Q2736-V2738 PolarHBondContact O-N 3.15Å; V2738-C2740 VanDerWaalsContact C-N 3.31Å; V2738-C2740 PolarHBondContact O-N 2.98Å; V2738-T2741 PolarHBondContact O-N 2.89Å; V2738-V2742 HydrophobicContact CG1-CG2 4.35Å; V2738-V2742 WeakPolarHBondContact O-CB 3.49Å; V2738-V2742 WeakPolarHBondContact O-CG2 3.27Å; V2738-V2742 PolarHBondContact O-N 3.1Å; V2738-V2742 VanDerWaalsContact O-N 3.12Å; V2738-F2755 HydrophobicContact CB-CZ 4.36Å; V2738-F2755 HydrophobicContact CG1-CZ 3.87Å; V2738-L3085 HydrophobicContact CG2-CD2 4.13Å; V2738-M3089 HydrophobicContact CG1-CB 4.38Å; V2738-M3089 HydrophobicContact CG1-CE 3.84Å; V2738-M3089 HydrophobicContact CG1-CG 3.91Å; V2738-M3089 HydrophobicContact CG1-SD 3.88Å; V2738-L3109 HydrophobicContact CG1-CD1 4.23Å; V2738-L3109 HydrophobicContact CG1-CD2 4.04Å; V2738-L3109 HydrophobicContact CG2-CD2 4.41Å; V2738-I3113 HydrophobicContact CG1-CD1 4.43Å; V2738-I3113 HydrophobicContact CG2-CD1 3.79Å; V2738-I3113 HydrophobicContact CG2-CG1 3.99Å
2739Y86.3Confident76.5Confident3.6 Ų3.653.2 Ų53.21%0.01430%0.295CS..Hα-helixtrans-59.9-48.6175.9177.6-92.4000111.8M2701 A2735 Q2736 M2737 T2741 V2742 V2743 C2746 T2747 V2748 K2751 Y2752 F2755 F3093M2701-Y2739 HydrophobicContact CE-CD1 3.57Å; M2701-Y2739 VanDerWaalsContact CE-CD1 3.41Å; M2701-Y2739 HydrophobicContact CE-CE1 3.88Å; M2701-Y2739 HydrophobicContact CE-CG 4.41Å; A2735-Y2739 WeakPolarHBondContact O-CB 3.31Å; A2735-Y2739 PolarHBondContact O-N 3.15Å; A2735-Y2739 VanDerWaalsContact O-N 3.09Å; Q2736-Y2739 PolarHBondContact O-N 3.3Å; M2737-Y2739 VanDerWaalsContact C-N 3.33Å; M2737-Y2739 PolarHBondContact O-N 3.22Å; Y2739-T2741 VanDerWaalsContact C-N 3.29Å; Y2739-T2741 PolarHBondContact O-N 2.83Å; Y2739-V2742 PolarHBondContact O-N 3.03Å; Y2739-V2743 HydrophobicContact CD1-CB 4.48Å; Y2739-V2743 HydrophobicContact CD1-CG2 4.37Å; Y2739-V2743 HydrophobicContact CD2-CG2 4.07Å; Y2739-V2743 HydrophobicContact CE1-CB 4.26Å; Y2739-V2743 HydrophobicContact CE1-CG1 4.48Å; Y2739-V2743 HydrophobicContact CE1-CG2 4.24Å; Y2739-V2743 HydrophobicContact CE2-CB 4.4Å; Y2739-V2743 HydrophobicContact CE2-CG2 3.85Å; Y2739-V2743 HydrophobicContact CG-CG2 4.35Å; Y2739-V2743 WeakPolarHBondContact O-CB 3.3Å; Y2739-V2743 WeakPolarHBondContact O-CG2 3.29Å; Y2739-V2743 PolarHBondContact O-N 3.19Å; Y2739-C2746 HydrophobicContact CD1-CB 4.5Å; Y2739-C2746 HydrophobicContact CE1-CB 4Å; Y2739-C2746 PolarHBondContact OH-O 2.83Å; Y2739-T2747 HydrophobicContact CD1-CG2 4.38Å; Y2739-T2747 HydrophobicContact CE1-CG2 3.92Å; Y2739-V2748 PolarHBondContact OH-N 3.14Å; Y2739-V2748 VanDerWaalsContact OH-N 3.14Å; Y2739-V2748 PolarHBondContact OH-O 3.1Å; Y2739-V2748 VanDerWaalsContact OH-O 3.09Å; Y2739-K2751 HydrophobicContact CE2-CB 4.41Å; Y2739-K2751 WeakPolarHBondContact OH-CB 3.48Å; Y2739-Y2752 AromaticContact CD1-CD2 3.77Å; Y2739-Y2752 HydrophobicContact CD1-CD2 3.77Å; Y2739-Y2752 HydrophobicContact CD1-CE2 4.38Å; Y2739-Y2752 HydrophobicContact CD1-CG 4.41Å; Y2739-Y2752 AromaticContact CD2-CD2 3.69Å; Y2739-Y2752 HydrophobicContact CD2-CD2 3.69Å; Y2739-Y2752 HydrophobicContact CD2-CE2 4.41Å; Y2739-Y2752 HydrophobicContact CD2-CG 4.42Å; Y2739-Y2752 HydrophobicContact CE1-CD2 4.2Å; Y2739-Y2752 HydrophobicContact CE1-CG 4.43Å; Y2739-Y2752 AromaticContact CE2-CD2 3.91Å; Y2739-Y2752 HydrophobicContact CE2-CD2 4.11Å; Y2739-Y2752 HydrophobicContact CE2-CG 4.39Å; Y2739-Y2752 AromaticContact CG-CD2 3.49Å; Y2739-Y2752 HydrophobicContact CG-CD2 3.49Å; Y2739-Y2752 VanDerWaalsContact CG-CD2 3.48Å; Y2739-Y2752 HydrophobicContact CG-CE2 4.06Å; Y2739-Y2752 HydrophobicContact CG-CG 4.45Å; Y2739-F2755 HydrophobicContact CD2-CB 4.25Å; Y2739-F2755 AromaticContact CD2-CD1 3.87Å; Y2739-F2755 HydrophobicContact CD2-CD1 4.07Å; Y2739-F2755 HydrophobicContact CD2-CE1 4.38Å; Y2739-F2755 AromaticContact CD2-CG 3.87Å; Y2739-F2755 HydrophobicContact CD2-CG 4.21Å; Y2739-F2755 HydrophobicContact CE2-CB 4.29Å; Y2739-F2755 HydrophobicContact CG-CD1 4.31Å; Y2739-F3093 HydrophobicContact CD2-CE1 4.23Å; Y2739-F3093 AromaticContact CD2-CE2 3.94Å; Y2739-F3093 HydrophobicContact CD2-CE2 3.97Å; Y2739-F3093 AromaticContact CD2-CZ 3.67Å; Y2739-F3093 HydrophobicContact CD2-CZ 3.67Å; Y2739-F3093 VanDerWaalsContact CD2-CZ 3.44Å; Y2739-F3093 AromaticContact CE2-CE1 3.89Å; Y2739-F3093 HydrophobicContact CE2-CE1 4.03Å; Y2739-F3093 HydrophobicContact CE2-CE2 4.21Å; Y2739-F3093 AromaticContact CE2-CZ 3.44Å; Y2739-F3093 HydrophobicContact CE2-CZ 3.44Å; Y2739-F3093 VanDerWaalsContact CE2-CZ 3.44Å
2740C82.1Confident77.9Confident46.4 Ų46.454.9 Ų54.931%0.31429%0.288SS..Hα-helixtrans-67.1-28-179.6-77.50000113.6Q2736 M2737 V2738 C2746Q2736-C2740 PolarHBondContact NE2-SG 3.02Å; Q2736-C2740 PolarHBondContact O-N 3.1Å; M2737-C2740 PolarHBondContact O-N 3.01Å; M2737-C2740 VanDerWaalsContact O-N 3.15Å; V2738-C2740 VanDerWaalsContact C-N 3.31Å; V2738-C2740 PolarHBondContact O-N 2.98Å; C2740-C2746 WeakPolarHBondContact CA-SG 3.24Å; C2740-C2746 HydrophobicContact CB-CB 4.49Å; C2740-C2746 WeakPolarHBondContact CB-SG 3.47Å; C2740-C2746 WeakPolarHBondContact SG-CB 3.32Å; C2740-C2746 CovalentContact SG-SG 2.06Å; C2740-C2746 PolarHBondContact SG-SG 3.44Å
2741T80Confident78.6Confident82 Ų8256.8 Ų56.850%0.50329%0.29SS..Hα-helixtrans-72.6-37.2175.7-55.20000112M2737 V2738 Y2739 E2744M2737-T2741 WeakPolarHBondContact O-CB 3.36Å; M2737-T2741 PolarHBondContact O-N 3.13Å; M2737-T2741 PolarHBondContact O-OG1 3.21Å; V2738-T2741 PolarHBondContact O-N 2.89Å; Y2739-T2741 VanDerWaalsContact C-N 3.29Å; Y2739-T2741 PolarHBondContact O-N 2.83Å; T2741-E2744 VanDerWaalsContact O-CG 3.32Å; T2741-E2744 WeakPolarHBondContact O-CG 3.36Å
2742V77.4Confident78.8Confident48.8 Ų48.854.8 Ų54.830%0.29628%0.281SS..Hα-helixtrans-84.5-34.4-177.1174.70000112V2738 Y2739 E2744 M3089 F3093 M3094 V3105 L3109V2738-V2742 HydrophobicContact CG1-CG2 4.35Å; V2738-V2742 WeakPolarHBondContact O-CB 3.49Å; V2738-V2742 WeakPolarHBondContact O-CG2 3.27Å; V2738-V2742 PolarHBondContact O-N 3.1Å; V2738-V2742 VanDerWaalsContact O-N 3.12Å; Y2739-V2742 PolarHBondContact O-N 3.03Å; V2742-E2744 VanDerWaalsContact C-N 3.27Å; V2742-E2744 PolarHBondContact O-N 3.14Å; V2742-E2744 VanDerWaalsContact O-N 3.09Å; V2742-M3089 HydrophobicContact CB-CE 3.86Å; V2742-M3089 HydrophobicContact CB-SD 4.08Å; V2742-M3089 HydrophobicContact CG1-CE 3.58Å; V2742-M3089 HydrophobicContact CG1-SD 3.81Å; V2742-M3089 HydrophobicContact CG2-CE 3.84Å; V2742-M3089 HydrophobicContact CG2-CG 4.11Å; V2742-M3089 HydrophobicContact CG2-SD 3.73Å; V2742-F3093 HydrophobicContact CG1-CB 3.88Å; V2742-F3093 HydrophobicContact CG1-CG 4.34Å; V2742-M3094 HydrophobicContact CG1-SD 4.16Å; V2742-V3105 HydrophobicContact CG2-CG1 4.07Å; V2742-L3109 HydrophobicContact CG2-CD1 3.83Å; V2742-L3109 HydrophobicContact CG2-CD2 4.2Å; V2742-L3109 HydrophobicContact CG2-CG 4.37Å
2743V72.6Confident78.9Confident28.8 Ų28.857 Ų5718%0.17529%0.292CS..SBendtrans-99.271.6-177.3-169.40000108.8Y2739 Q2745 C2746 F3093Y2739-V2743 HydrophobicContact CD1-CB 4.48Å; Y2739-V2743 HydrophobicContact CD1-CG2 4.37Å; Y2739-V2743 HydrophobicContact CD2-CG2 4.07Å; Y2739-V2743 HydrophobicContact CE1-CB 4.26Å; Y2739-V2743 HydrophobicContact CE1-CG1 4.48Å; Y2739-V2743 HydrophobicContact CE1-CG2 4.24Å; Y2739-V2743 HydrophobicContact CE2-CB 4.4Å; Y2739-V2743 HydrophobicContact CE2-CG2 3.85Å; Y2739-V2743 HydrophobicContact CG-CG2 4.35Å; Y2739-V2743 WeakPolarHBondContact O-CB 3.3Å; Y2739-V2743 WeakPolarHBondContact O-CG2 3.29Å; Y2739-V2743 PolarHBondContact O-N 3.19Å; V2743-Q2745 PolarHBondContact O-N 3.16Å; V2743-Q2745 VanDerWaalsContact O-N 3.13Å; V2743-C2746 VanDerWaalsContact CG1-C 3.46Å; V2743-C2746 HydrophobicContact CG1-CB 3.68Å; V2743-C2746 WeakPolarHBondContact CG1-O 3.37Å; V2743-C2746 PolarHBondContact O-N 3.25Å; V2743-F3093 HydrophobicContact CG2-CD1 3.67Å; V2743-F3093 HydrophobicContact CG2-CE1 3.52Å; V2743-F3093 HydrophobicContact CG2-CE2 4.42Å; V2743-F3093 HydrophobicContact CG2-CG 4.29Å; V2743-F3093 HydrophobicContact CG2-CZ 4.04Å
2744E59.6Low78.9Confident174 Ų17454.5 Ų54.581%0.81328%0.283SS*.THydrogen-bonded Turntrans-53.4-9.5-176.4-70.3-178161.600113.8T2741 V2742 C2746T2741-E2744 VanDerWaalsContact O-CG 3.32Å; T2741-E2744 WeakPolarHBondContact O-CG 3.36Å; V2742-E2744 VanDerWaalsContact C-N 3.27Å; V2742-E2744 PolarHBondContact O-N 3.14Å; V2742-E2744 VanDerWaalsContact O-N 3.09Å; E2744-C2746 PolarHBondContact O-N 3.39Å
2745Q53.8Low79.1Confident177.6 Ų177.653.1 Ų53.183%0.8327%0.274SS*.THydrogen-bonded Turntrans-126.1-1.4-177-62-173-11.800116.3V2743 T2747V2743-Q2745 PolarHBondContact O-N 3.16Å; V2743-Q2745 VanDerWaalsContact O-N 3.13Å; Q2745-T2747 HydrophobicContact CB-CG2 3.64Å; Q2745-T2747 WeakPolarHBondContact O-CG2 3.39Å; Q2745-T2747 PolarHBondContact O-N 2.74Å
2746C54.6Low79.3Confident62.4 Ų62.453.1 Ų53.142%0.42227%0.274SS..  trans-15072.6-175.9-83.50000113.2Y2739 C2740 V2743 E2744 V2748 K2751Y2739-C2746 HydrophobicContact CD1-CB 4.5Å; Y2739-C2746 HydrophobicContact CE1-CB 4Å; Y2739-C2746 PolarHBondContact OH-O 2.83Å; C2740-C2746 WeakPolarHBondContact CA-SG 3.24Å; C2740-C2746 HydrophobicContact CB-CB 4.49Å; C2740-C2746 WeakPolarHBondContact CB-SG 3.47Å; C2740-C2746 WeakPolarHBondContact SG-CB 3.32Å; C2740-C2746 CovalentContact SG-SG 2.06Å; C2740-C2746 PolarHBondContact SG-SG 3.44Å; V2743-C2746 VanDerWaalsContact CG1-C 3.46Å; V2743-C2746 HydrophobicContact CG1-CB 3.68Å; V2743-C2746 WeakPolarHBondContact CG1-O 3.37Å; V2743-C2746 PolarHBondContact O-N 3.25Å; E2744-C2746 PolarHBondContact O-N 3.39Å; C2746-V2748 HydrophobicContact CB-CG2 4.27Å; C2746-V2748 PolarHBondContact O-N 2.99Å; C2746-V2748 VanDerWaalsContact O-N 3.08Å; C2746-K2751 PolarHBondContact SG-NZ 2.96Å
2747T64.2Low79.4Confident39.6 Ų39.655.2 Ų55.224%0.24329%0.285CS..  trans-71.945.6-179.546.90000112.5K2695 Y2739 Q2745 P2749K2695-T2747 HydrophobicContact CB-CG2 4.06Å; K2695-T2747 WeakPolarHBondContact CB-OG1 3.38Å; K2695-T2747 HydrophobicContact CD-CG2 4.07Å; Y2739-T2747 HydrophobicContact CD1-CG2 4.38Å; Y2739-T2747 HydrophobicContact CE1-CG2 3.92Å; Q2745-T2747 HydrophobicContact CB-CG2 3.64Å; Q2745-T2747 WeakPolarHBondContact O-CG2 3.39Å; Q2745-T2747 PolarHBondContact O-N 2.74Å; T2747-P2749 WeakPolarHBondContact O-CD 3.26Å; T2747-P2749 VanDerWaalsContact O-N 3.13Å
2748V79.5Confident79.7Confident27.2 Ų27.252.4 Ų52.417%0.16527%0.271CS..  trans-82.3104.7-178.7-175.90000110P2541 S2542 Y2739 C2746 R2750 K2751 Y2752P2541-V2748 HydrophobicContact CB-CB 4.44Å; P2541-V2748 HydrophobicContact CB-CG1 4.36Å; P2541-V2748 HydrophobicContact CB-CG2 4.23Å; S2542-V2748 VanDerWaalsContact O-CG1 3.22Å; S2542-V2748 WeakPolarHBondContact O-CG1 3.31Å; Y2739-V2748 PolarHBondContact OH-N 3.14Å; Y2739-V2748 VanDerWaalsContact OH-N 3.14Å; Y2739-V2748 PolarHBondContact OH-O 3.1Å; Y2739-V2748 VanDerWaalsContact OH-O 3.09Å; C2746-V2748 HydrophobicContact CB-CG2 4.27Å; C2746-V2748 PolarHBondContact O-N 2.99Å; C2746-V2748 VanDerWaalsContact O-N 3.08Å; V2748-R2750 VanDerWaalsContact C-N 3.26Å; V2748-R2750 HydrophobicContact CG1-CB 4.32Å; V2748-R2750 PolarHBondContact O-N 3.05Å; V2748-R2750 VanDerWaalsContact O-N 3.12Å; V2748-K2751 HydrophobicContact CB-CB 4.43Å; V2748-K2751 HydrophobicContact CB-CD 4.17Å; V2748-K2751 HydrophobicContact CB-CG 4.21Å; V2748-K2751 HydrophobicContact CG1-CD 4.38Å; V2748-K2751 HydrophobicContact CG1-CG 4.22Å; V2748-K2751 WeakPolarHBondContact O-CB 3.26Å; V2748-K2751 PolarHBondContact O-N 2.96Å; V2748-Y2752 PolarHBondContact O-N 2.93Å
2749P84.2Confident79.9Confident3.6 Ų3.652 Ų522%0.02327%0.269CS..Hα-helixtrans-58.1-31.4-173.9-27.135.5000114.2S2542 L2544 W2696 T2747 K2751 Y2752 I2753S2542-P2749 WeakPolarHBondContact O-CD 3.27Å; L2544-P2749 HydrophobicContact CD2-CG 3.85Å; L2544-P2749 HydrophobicContact CG-CG 4.15Å; W2696-P2749 HydrophobicContact CD2-CB 3.74Å; W2696-P2749 HydrophobicContact CD2-CG 3.87Å; W2696-P2749 HydrophobicContact CE3-CB 3.79Å; W2696-P2749 HydrophobicContact CE3-CG 4.31Å; W2696-P2749 HydrophobicContact CG-CB 4.48Å; W2696-P2749 HydrophobicContact CG-CG 4.15Å; W2696-P2749 HydrophobicContact CH2-CB 3.75Å; W2696-P2749 HydrophobicContact CZ2-CB 3.67Å; W2696-P2749 HydrophobicContact CZ2-CG 4.35Å; W2696-P2749 HydrophobicContact CZ3-CB 3.8Å; T2747-P2749 WeakPolarHBondContact O-CD 3.26Å; T2747-P2749 VanDerWaalsContact O-N 3.13Å; P2749-K2751 VanDerWaalsContact C-N 3.27Å; P2749-K2751 PolarHBondContact O-N 3.12Å; P2749-Y2752 WeakPolarHBondContact O-CA 3.2Å; P2749-Y2752 WeakPolarHBondContact O-CB 3.36Å; P2749-Y2752 PolarHBondContact O-N 3.03Å; P2749-Y2752 VanDerWaalsContact O-N 3.14Å; P2749-I2753 WeakPolarHBondContact O-CG1 3.43Å; P2749-I2753 PolarHBondContact O-N 3.09Å
2750R84.3Confident80Confident122.4 Ų122.454.4 Ų54.446%0.46228%0.279SS..Hα-helixtrans-58.9-37.8175.6-168.8172.5-178.1-173-2.5112.6S2542 V2748 Y2752 A2754 L3221S2542-R2750 WeakPolarHBondContact O-CB 3.43Å; S2542-R2750 PolarHBondContact O-N 3.16Å; S2542-R2750 VanDerWaalsContact O-N 3.12Å; V2748-R2750 VanDerWaalsContact C-N 3.26Å; V2748-R2750 HydrophobicContact CG1-CB 4.32Å; V2748-R2750 PolarHBondContact O-N 3.05Å; V2748-R2750 VanDerWaalsContact O-N 3.12Å; R2750-Y2752 VanDerWaalsContact C-N 3.34Å; R2750-A2754 WeakPolarHBondContact O-CB 3.32Å; R2750-A2754 PolarHBondContact O-N 3.13Å; R2750-A2754 VanDerWaalsContact O-N 3.11Å; R2750-L3221 PolarHBondContact NH2-O 3.17Å
2751K85.5Confident80.4Confident94.4 Ų94.455.4 Ų55.441%0.4128%0.279SS..Hα-helixtrans-71.3-35.7176.8-67.4-177.9-178.8169.30111.1Y2739 C2746 V2748 P2749 A2754 F2755 H3092 F3093Y2739-K2751 HydrophobicContact CE2-CB 4.41Å; Y2739-K2751 WeakPolarHBondContact OH-CB 3.48Å; C2746-K2751 PolarHBondContact SG-NZ 2.96Å; V2748-K2751 HydrophobicContact CB-CB 4.43Å; V2748-K2751 HydrophobicContact CB-CD 4.17Å; V2748-K2751 HydrophobicContact CB-CG 4.21Å; V2748-K2751 HydrophobicContact CG1-CD 4.38Å; V2748-K2751 HydrophobicContact CG1-CG 4.22Å; V2748-K2751 WeakPolarHBondContact O-CB 3.26Å; V2748-K2751 PolarHBondContact O-N 2.96Å; P2749-K2751 VanDerWaalsContact C-N 3.27Å; P2749-K2751 PolarHBondContact O-N 3.12Å; K2751-A2754 PolarHBondContact O-N 2.93Å; K2751-F2755 VanDerWaalsContact O-CB 3.27Å; K2751-F2755 WeakPolarHBondContact O-CB 3.32Å; K2751-F2755 PolarHBondContact O-N 3.01Å; K2751-H3092 PolarHBondContact O-NE2 2.97Å; K2751-F3093 HydrophobicContact CB-CE1 4.23Å; K2751-F3093 HydrophobicContact CB-CZ 4.43Å
2752Y88.8Confident80.9Confident0.4 Ų0.452.7 Ų52.70%0.00226%0.26CS..Hα-helixtrans-64.8-46.7174.9-176.5-121.5000111.9W2696 M2701 A2705 Q2736 Y2739 V2748 P2749 R2750 A2754 F2755 L2756W2696-Y2752 HydrophobicContact CE3-CD1 4.43Å; W2696-Y2752 HydrophobicContact CZ3-CD1 4.26Å; M2701-Y2752 HydrophobicContact CB-CD1 4.49Å; M2701-Y2752 HydrophobicContact CB-CE1 3.81Å; M2701-Y2752 HydrophobicContact CE-CD1 3.82Å; M2701-Y2752 HydrophobicContact CE-CD2 3.74Å; M2701-Y2752 HydrophobicContact CE-CE1 3.84Å; M2701-Y2752 HydrophobicContact CE-CE2 3.77Å; M2701-Y2752 HydrophobicContact CE-CG 3.75Å; M2701-Y2752 HydrophobicContact CG-CD1 4.42Å; M2701-Y2752 HydrophobicContact CG-CE1 4.19Å; M2701-Y2752 VanDerWaalsContact O-CE1 3.26Å; M2701-Y2752 WeakPolarHBondContact O-CE1 3.32Å; M2701-Y2752 PolarHBondContact O-OH 3.26Å; A2705-Y2752 WeakPolarHBondContact CB-OH 3.35Å; Q2736-Y2752 WeakPolarHBondContact CB-OH 3.37Å; Y2739-Y2752 AromaticContact CD1-CD2 3.77Å; Y2739-Y2752 HydrophobicContact CD1-CD2 3.77Å; Y2739-Y2752 HydrophobicContact CD1-CE2 4.38Å; Y2739-Y2752 HydrophobicContact CD1-CG 4.41Å; Y2739-Y2752 AromaticContact CD2-CD2 3.69Å; Y2739-Y2752 HydrophobicContact CD2-CD2 3.69Å; Y2739-Y2752 HydrophobicContact CD2-CE2 4.41Å; Y2739-Y2752 HydrophobicContact CD2-CG 4.42Å; Y2739-Y2752 HydrophobicContact CE1-CD2 4.2Å; Y2739-Y2752 HydrophobicContact CE1-CG 4.43Å; Y2739-Y2752 AromaticContact CE2-CD2 3.91Å; Y2739-Y2752 HydrophobicContact CE2-CD2 4.11Å; Y2739-Y2752 HydrophobicContact CE2-CG 4.39Å; Y2739-Y2752 AromaticContact CG-CD2 3.49Å; Y2739-Y2752 HydrophobicContact CG-CD2 3.49Å; Y2739-Y2752 VanDerWaalsContact CG-CD2 3.48Å; Y2739-Y2752 HydrophobicContact CG-CE2 4.06Å; Y2739-Y2752 HydrophobicContact CG-CG 4.45Å; V2748-Y2752 PolarHBondContact O-N 2.93Å; P2749-Y2752 WeakPolarHBondContact O-CA 3.2Å; P2749-Y2752 WeakPolarHBondContact O-CB 3.36Å; P2749-Y2752 PolarHBondContact O-N 3.03Å; P2749-Y2752 VanDerWaalsContact O-N 3.14Å; R2750-Y2752 VanDerWaalsContact C-N 3.34Å; Y2752-A2754 VanDerWaalsContact C-N 3.33Å; Y2752-A2754 PolarHBondContact O-N 3.08Å; Y2752-F2755 HydrophobicContact CD2-CD1 4.11Å; Y2752-F2755 HydrophobicContact CE2-CD1 4.3Å; Y2752-F2755 HydrophobicContact CE2-CE1 4.46Å; Y2752-F2755 WeakPolarHBondContact O-CB 3.41Å; Y2752-F2755 PolarHBondContact O-N 3.26Å; Y2752-L2756 HydrophobicContact CD1-CD1 3.93Å; Y2752-L2756 HydrophobicContact CD2-CG 4.44Å; Y2752-L2756 HydrophobicContact CE1-CD1 3.59Å; Y2752-L2756 HydrophobicContact CE1-CG 4.32Å; Y2752-L2756 HydrophobicContact CE2-CD1 4.35Å; Y2752-L2756 HydrophobicContact CE2-CD2 4.2Å; Y2752-L2756 HydrophobicContact CE2-CG 4.21Å; Y2752-L2756 HydrophobicContact CG-CD1 4.45Å; Y2752-L2756 VanDerWaalsContact O-CG 3.32Å; Y2752-L2756 WeakPolarHBondContact O-CG 3.24Å; Y2752-L2756 PolarHBondContact O-N 3.14Å
2753I87.3Confident81.4Confident55 Ų5552.4 Ų52.428%0.28226%0.255SS..Hα-helixtrans-60-44.3175-64.1166.1000111W2696 T2704 P2749 F2755 L2756 N2757W2696-I2753 HydrophobicContact CH2-CD1 3.83Å; W2696-I2753 HydrophobicContact CH2-CG1 4.16Å; W2696-I2753 HydrophobicContact CZ3-CD1 4.32Å; W2696-I2753 HydrophobicContact CZ3-CG1 4.34Å; T2704-I2753 HydrophobicContact CG2-CG1 4.39Å; P2749-I2753 WeakPolarHBondContact O-CG1 3.43Å; P2749-I2753 PolarHBondContact O-N 3.09Å; I2753-F2755 VanDerWaalsContact C-N 3.33Å; I2753-F2755 PolarHBondContact O-N 2.97Å; I2753-L2756 PolarHBondContact O-N 3.12Å; I2753-N2757 WeakPolarHBondContact O-CB 3.41Å; I2753-N2757 PolarHBondContact O-N 3.2Å; I2753-N2757 PolarHBondContact O-ND2 3.06Å; I2753-N2757 VanDerWaalsContact O-ND2 3.09Å
2754A86.8Confident82Confident17 Ų1756.5 Ų56.514%0.1427%0.271CS..Hα-helixtrans-62.1-41.3177.200000112.4R2750 K2751 Y2752 N2757 Q2758 H3092 Q3156R2750-A2754 WeakPolarHBondContact O-CB 3.32Å; R2750-A2754 PolarHBondContact O-N 3.13Å; R2750-A2754 VanDerWaalsContact O-N 3.11Å; K2751-A2754 PolarHBondContact O-N 2.93Å; Y2752-A2754 VanDerWaalsContact C-N 3.33Å; Y2752-A2754 PolarHBondContact O-N 3.08Å; A2754-N2757 PolarHBondContact O-N 3.33Å; A2754-Q2758 WeakPolarHBondContact O-CB 3.33Å; A2754-Q2758 WeakPolarHBondContact O-CG 3.21Å; A2754-Q2758 PolarHBondContact O-N 2.87Å; A2754-H3092 VanDerWaalsContact CB-CE1 3.49Å; A2754-H3092 WeakPolarHBondContact CB-CE1 3.3Å; A2754-H3092 PolarHBondContact O-NE2 3.26Å; A2754-Q3156 VanDerWaalsContact CB-CD 3.41Å; A2754-Q3156 HydrophobicContact CB-CG 4.04Å
2755F90.4Very high83.4Confident11.8 Ų11.852.4 Ų52.45%0.05225%0.251CS..Hα-helixtrans-60.4-46.5173166.9-113.6000112.1A2735 V2738 Y2739 K2751 Y2752 I2753 N2757 Q2758 I2759 L3085 A3088 M3089 F3093A2735-F2755 WeakPolarHBondContact O-CE1 3.47Å; V2738-F2755 HydrophobicContact CB-CZ 4.36Å; V2738-F2755 HydrophobicContact CG1-CZ 3.87Å; Y2739-F2755 HydrophobicContact CD2-CB 4.25Å; Y2739-F2755 AromaticContact CD2-CD1 3.87Å; Y2739-F2755 HydrophobicContact CD2-CD1 4.07Å; Y2739-F2755 HydrophobicContact CD2-CE1 4.38Å; Y2739-F2755 AromaticContact CD2-CG 3.87Å; Y2739-F2755 HydrophobicContact CD2-CG 4.21Å; Y2739-F2755 HydrophobicContact CE2-CB 4.29Å; Y2739-F2755 HydrophobicContact CG-CD1 4.31Å; K2751-F2755 VanDerWaalsContact O-CB 3.27Å; K2751-F2755 WeakPolarHBondContact O-CB 3.32Å; K2751-F2755 PolarHBondContact O-N 3.01Å; Y2752-F2755 HydrophobicContact CD2-CD1 4.11Å; Y2752-F2755 HydrophobicContact CE2-CD1 4.3Å; Y2752-F2755 HydrophobicContact CE2-CE1 4.46Å; Y2752-F2755 WeakPolarHBondContact O-CB 3.41Å; Y2752-F2755 PolarHBondContact O-N 3.26Å; I2753-F2755 VanDerWaalsContact C-N 3.33Å; I2753-F2755 PolarHBondContact O-N 2.97Å; F2755-N2757 VanDerWaalsContact C-N 3.32Å; F2755-N2757 PolarHBondContact O-N 3Å; F2755-Q2758 WeakPolarHBondContact O-CB 3.38Å; F2755-Q2758 PolarHBondContact O-N 3.35Å; F2755-Q2758 VanDerWaalsContact O-N 3.15Å; F2755-I2759 HydrophobicContact CD1-CD1 4.16Å; F2755-I2759 HydrophobicContact CD2-CD1 4.33Å; F2755-I2759 HydrophobicContact CD2-CG1 4.39Å; F2755-I2759 HydrophobicContact CE1-CD1 3.7Å; F2755-I2759 HydrophobicContact CE1-CG1 4.43Å; F2755-I2759 HydrophobicContact CE2-CD1 3.92Å; F2755-I2759 HydrophobicContact CE2-CG1 4.16Å; F2755-I2759 HydrophobicContact CG-CD1 4.44Å; F2755-I2759 HydrophobicContact CZ-CD1 3.6Å; F2755-I2759 VanDerWaalsContact CZ-CD1 3.47Å; F2755-I2759 HydrophobicContact CZ-CG1 4.33Å; F2755-I2759 WeakPolarHBondContact O-CG1 3.41Å; F2755-I2759 PolarHBondContact O-N 3.19Å; F2755-L3085 HydrophobicContact CE1-CD1 4.17Å; F2755-L3085 HydrophobicContact CE2-CD1 4.24Å; F2755-L3085 HydrophobicContact CZ-CD1 3.45Å; F2755-L3085 VanDerWaalsContact CZ-CD1 3.45Å; F2755-A3088 HydrophobicContact CD2-CB 3.85Å; F2755-A3088 HydrophobicContact CE2-CB 3.77Å; F2755-M3089 HydrophobicContact CD1-SD 4.48Å; F2755-M3089 HydrophobicContact CD2-CE 4.34Å; F2755-M3089 HydrophobicContact CD2-SD 3.85Å; F2755-M3089 HydrophobicContact CE1-CE 4.11Å; F2755-M3089 HydrophobicContact CE1-SD 3.88Å; F2755-M3089 HydrophobicContact CE2-CB 4Å; F2755-M3089 HydrophobicContact CE2-CE 3.62Å; F2755-M3089 HydrophobicContact CE2-CG 3.46Å; F2755-M3089 VanDerWaalsContact CE2-CG 3.46Å; F2755-M3089 HydrophobicContact CE2-SD 3.18Å; F2755-M3089 WeakPolarHBondContact CE2-SD 3.34Å; F2755-M3089 HydrophobicContact CG-SD 4.43Å; F2755-M3089 HydrophobicContact CZ-CB 4.35Å; F2755-M3089 HydrophobicContact CZ-CE 3.43Å; F2755-M3089 VanDerWaalsContact CZ-CE 3.43Å; F2755-M3089 HydrophobicContact CZ-CG 3.57Å; F2755-M3089 HydrophobicContact CZ-SD 3.14Å; F2755-M3089 WeakPolarHBondContact CZ-SD 3.15Å; F2755-F3093 HydrophobicContact CB-CE2 3.98Å; F2755-F3093 HydrophobicContact CB-CZ 4.21Å; F2755-F3093 HydrophobicContact CD1-CE2 4.42Å; F2755-F3093 AromaticContact CD2-CE2 3.93Å; F2755-F3093 HydrophobicContact CD2-CE2 3.96Å; F2755-F3093 HydrophobicContact CE2-CE2 4.44Å; F2755-F3093 AromaticContact CG-CE2 3.89Å; F2755-F3093 HydrophobicContact CG-CE2 3.96Å; F2755-F3093 HydrophobicContact CG-CZ 4.36Å
2756L90.5Very high85Confident0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-61.4-43.2176-67.7172.3000112.2T2704 A2705 V2708 L2709 A2735 Y2752 I2753 Q2758 I2759 K2760T2704-L2756 HydrophobicContact CG2-CD1 4.24Å; A2705-L2756 HydrophobicContact CB-CD1 4.05Å; A2705-L2756 HydrophobicContact CB-CD2 3.72Å; V2708-L2756 HydrophobicContact CB-CB 4.28Å; V2708-L2756 HydrophobicContact CB-CD1 4.37Å; V2708-L2756 HydrophobicContact CG1-CB 3.76Å; V2708-L2756 HydrophobicContact CG2-CD1 4.43Å; L2709-L2756 HydrophobicContact CD1-CD2 4.13Å; L2709-L2756 HydrophobicContact CD2-CD2 4.42Å; L2709-L2756 HydrophobicContact CG-CD2 4.29Å; A2735-L2756 HydrophobicContact CB-CD2 4.32Å; Y2752-L2756 HydrophobicContact CD1-CD1 3.93Å; Y2752-L2756 HydrophobicContact CD2-CG 4.44Å; Y2752-L2756 HydrophobicContact CE1-CD1 3.59Å; Y2752-L2756 HydrophobicContact CE1-CG 4.32Å; Y2752-L2756 HydrophobicContact CE2-CD1 4.35Å; Y2752-L2756 HydrophobicContact CE2-CD2 4.2Å; Y2752-L2756 HydrophobicContact CE2-CG 4.21Å; Y2752-L2756 HydrophobicContact CG-CD1 4.45Å; Y2752-L2756 VanDerWaalsContact O-CG 3.32Å; Y2752-L2756 WeakPolarHBondContact O-CG 3.24Å; Y2752-L2756 PolarHBondContact O-N 3.14Å; I2753-L2756 PolarHBondContact O-N 3.12Å; L2756-Q2758 VanDerWaalsContact C-N 3.27Å; L2756-Q2758 PolarHBondContact O-N 3.25Å; L2756-I2759 HydrophobicContact CD2-CD1 4.31Å; L2756-I2759 WeakPolarHBondContact O-CB 3.33Å; L2756-I2759 PolarHBondContact O-N 3.1Å; L2756-K2760 WeakPolarHBondContact O-CB 3.36Å; L2756-K2760 PolarHBondContact O-N 3.16Å
2757N89.5Confident86.6Confident67 Ų6745.1 Ų45.136%0.35821%0.212SC..Hα-helixtrans-62.9-35.2175.1-75.6-30.2000112.1V2708 I2753 A2754 F2755 K2760 K2761V2708-N2757 VanDerWaalsContact CG1-OD1 3.3Å; V2708-N2757 WeakPolarHBondContact CG1-OD1 3.32Å; I2753-N2757 WeakPolarHBondContact O-CB 3.41Å; I2753-N2757 PolarHBondContact O-N 3.2Å; I2753-N2757 PolarHBondContact O-ND2 3.06Å; I2753-N2757 VanDerWaalsContact O-ND2 3.09Å; A2754-N2757 PolarHBondContact O-N 3.33Å; F2755-N2757 VanDerWaalsContact C-N 3.32Å; F2755-N2757 PolarHBondContact O-N 3Å; N2757-K2760 PolarHBondContact O-N 3.33Å; N2757-K2761 WeakPolarHBondContact O-CB 3.37Å; N2757-K2761 PolarHBondContact O-N 3.31Å
2758Q90.5Very high87.6Confident24.4 Ų24.444.8 Ų44.811%0.11421%0.214CC..Hα-helixtrans-67.9-41.2174.3-15357.83800112.2A2754 F2755 L2756 K2760 K2761 F2762 A3088 L3091 H3092 N3153 C3155A2754-Q2758 WeakPolarHBondContact O-CB 3.33Å; A2754-Q2758 WeakPolarHBondContact O-CG 3.21Å; A2754-Q2758 PolarHBondContact O-N 2.87Å; F2755-Q2758 WeakPolarHBondContact O-CB 3.38Å; F2755-Q2758 PolarHBondContact O-N 3.35Å; F2755-Q2758 VanDerWaalsContact O-N 3.15Å; L2756-Q2758 VanDerWaalsContact C-N 3.27Å; L2756-Q2758 PolarHBondContact O-N 3.25Å; Q2758-K2760 VanDerWaalsContact C-N 3.31Å; Q2758-K2760 PolarHBondContact O-N 2.95Å; Q2758-K2761 PolarHBondContact O-N 3.34Å; Q2758-F2762 HydrophobicContact CG-CD2 4.12Å; Q2758-F2762 HydrophobicContact CG-CE2 3.69Å; Q2758-F2762 HydrophobicContact CG-CZ 3.96Å; Q2758-F2762 VanDerWaalsContact O-CB 3.28Å; Q2758-F2762 WeakPolarHBondContact O-CB 3.29Å; Q2758-F2762 VanDerWaalsContact O-CG 3.32Å; Q2758-F2762 WeakPolarHBondContact O-CG 3.27Å; Q2758-F2762 PolarHBondContact O-N 3.09Å; Q2758-A3088 HydrophobicContact CB-CB 3.99Å; Q2758-A3088 HydrophobicContact CG-CB 3.86Å; Q2758-L3091 HydrophobicContact CG-CD2 4.3Å; Q2758-H3092 WeakPolarHBondContact CB-CE1 3.23Å; Q2758-H3092 VanDerWaalsContact CG-CE1 3.44Å; Q2758-H3092 WeakPolarHBondContact CG-CE1 3.37Å; Q2758-H3092 PolarHBondContact OE1-CE1 3.42Å; Q2758-H3092 VanDerWaalsContact OE1-CE1 3.31Å; Q2758-N3153 PolarHBondContact NE2-O 3.03Å; Q2758-C3155 PolarHBondContact OE1-SG 3.16Å
2759I90.9Very high88Confident6 Ų646.3 Ų46.33%0.03123%0.229CC..Hα-helixtrans-58.8-49.7173-64.5168.6000109.6L2709 F2731 A2735 F2755 L2756 K2761 F2762 Q2763 A3084 L3085 A3088L2709-I2759 HydrophobicContact CD2-CB 4.12Å; L2709-I2759 HydrophobicContact CD2-CG2 3.86Å; F2731-I2759 HydrophobicContact CE1-CG2 4.04Å; F2731-I2759 HydrophobicContact CZ-CG2 3.93Å; A2735-I2759 HydrophobicContact CB-CD1 4.27Å; F2755-I2759 HydrophobicContact CD1-CD1 4.16Å; F2755-I2759 HydrophobicContact CD2-CD1 4.33Å; F2755-I2759 HydrophobicContact CD2-CG1 4.39Å; F2755-I2759 HydrophobicContact CE1-CD1 3.7Å; F2755-I2759 HydrophobicContact CE1-CG1 4.43Å; F2755-I2759 HydrophobicContact CE2-CD1 3.92Å; F2755-I2759 HydrophobicContact CE2-CG1 4.16Å; F2755-I2759 HydrophobicContact CG-CD1 4.44Å; F2755-I2759 HydrophobicContact CZ-CD1 3.6Å; F2755-I2759 VanDerWaalsContact CZ-CD1 3.47Å; F2755-I2759 HydrophobicContact CZ-CG1 4.33Å; F2755-I2759 WeakPolarHBondContact O-CG1 3.41Å; F2755-I2759 PolarHBondContact O-N 3.19Å; L2756-I2759 HydrophobicContact CD2-CD1 4.31Å; L2756-I2759 WeakPolarHBondContact O-CB 3.33Å; L2756-I2759 PolarHBondContact O-N 3.1Å; I2759-K2761 VanDerWaalsContact C-N 3.31Å; I2759-K2761 PolarHBondContact O-N 3.09Å; I2759-F2762 PolarHBondContact O-N 3.19Å; I2759-Q2763 HydrophobicContact CG2-CG 4.19Å; I2759-Q2763 VanDerWaalsContact O-CB 3.29Å; I2759-Q2763 WeakPolarHBondContact O-CB 3.34Å; I2759-Q2763 WeakPolarHBondContact O-CG 3.32Å; I2759-Q2763 PolarHBondContact O-N 3.09Å; I2759-A3084 HydrophobicContact CG2-CB 4.48Å; I2759-L3085 HydrophobicContact CD1-CD1 3.47Å; I2759-L3085 VanDerWaalsContact CD1-CD1 3.47Å; I2759-L3085 HydrophobicContact CG1-CD1 4.28Å; I2759-A3088 HydrophobicContact CB-CB 4.4Å; I2759-A3088 HydrophobicContact CG1-CB 3.49Å; I2759-A3088 VanDerWaalsContact CG1-CB 3.48Å
2760K88.6Confident88.1Confident53.6 Ų53.647.5 Ų47.523%0.23324%0.235CC..Hα-helixtrans-56.8-47.9179.2-172.9-174-169.9165.60111.6V2708 L2709 V2711 D2713 L2756 N2757 Q2758 F2762 Q2763 F2764V2708-K2760 WeakPolarHBondContact O-CD 3.32Å; V2708-K2760 WeakPolarHBondContact O-CE 3.36Å; V2708-K2760 PolarHBondContact O-NZ 3.28Å; L2709-K2760 HydrophobicContact CD2-CB 4.37Å; V2711-K2760 WeakPolarHBondContact O-CE 3.42Å; V2711-K2760 PolarHBondContact O-NZ 3.26Å; D2713-K2760 IonicContact OD1-NZ 2.7Å; D2713-K2760 PolarHBondContact OD1-NZ 3.04Å; L2756-K2760 WeakPolarHBondContact O-CB 3.36Å; L2756-K2760 PolarHBondContact O-N 3.16Å; N2757-K2760 PolarHBondContact O-N 3.33Å; Q2758-K2760 VanDerWaalsContact C-N 3.31Å; Q2758-K2760 PolarHBondContact O-N 2.95Å; K2760-F2762 PolarHBondContact O-N 3.05Å; K2760-Q2763 PolarHBondContact O-N 3.15Å; K2760-F2764 WeakPolarHBondContact O-CB 3.33Å; K2760-F2764 PolarHBondContact O-N 3.16Å
2761K89.6Confident88.2Confident68 Ų6848 Ų4830%0.29624%0.237SC..Hα-helixtrans-56.4-51.2175.9179.4-179173.8-175.80111.2N2757 Q2758 I2759 Q2763 F2764 E2765 N3153 C3155N2757-K2761 WeakPolarHBondContact O-CB 3.37Å; N2757-K2761 PolarHBondContact O-N 3.31Å; Q2758-K2761 PolarHBondContact O-N 3.34Å; I2759-K2761 VanDerWaalsContact C-N 3.31Å; I2759-K2761 PolarHBondContact O-N 3.09Å; K2761-Q2763 PolarHBondContact O-N 3.18Å; K2761-F2764 WeakPolarHBondContact O-CB 3.15Å; K2761-F2764 PolarHBondContact O-N 3.17Å; K2761-E2765 WeakPolarHBondContact CE-OE1 3.3Å; K2761-E2765 HydrophobicContact CG-CG 4.37Å; K2761-E2765 WeakPolarHBondContact CG-OE1 3.28Å; K2761-E2765 IonicContact NZ-OE1 3.77Å; K2761-E2765 WeakPolarHBondContact O-CB 3.34Å; K2761-E2765 WeakPolarHBondContact O-CG 3.33Å; K2761-E2765 PolarHBondContact O-N 3.3Å; K2761-N3153 PolarHBondContact NZ-O 3.3Å; K2761-C3155 VanDerWaalsContact CD-SG 3.58Å
2762F90.1Very high88.2Confident24 Ų2448.6 Ų48.611%0.10524%0.244CC..Hα-helixtrans-64.7-41.2-179.4-84-33000113.2Q2758 I2759 K2760 F2764 E2765 K2766 A3084 A3087 A3088 L3091 F3123 M3124 N3153Q2758-F2762 HydrophobicContact CG-CD2 4.12Å; Q2758-F2762 HydrophobicContact CG-CE2 3.69Å; Q2758-F2762 HydrophobicContact CG-CZ 3.96Å; Q2758-F2762 VanDerWaalsContact O-CB 3.28Å; Q2758-F2762 WeakPolarHBondContact O-CB 3.29Å; Q2758-F2762 VanDerWaalsContact O-CG 3.32Å; Q2758-F2762 WeakPolarHBondContact O-CG 3.27Å; Q2758-F2762 PolarHBondContact O-N 3.09Å; I2759-F2762 PolarHBondContact O-N 3.19Å; K2760-F2762 PolarHBondContact O-N 3.05Å; F2762-F2764 VanDerWaalsContact C-N 3.33Å; F2762-F2764 PolarHBondContact O-N 2.73Å; F2762-E2765 PolarHBondContact O-N 3.39Å; F2762-K2766 HydrophobicContact CD1-CG 4.02Å; F2762-K2766 HydrophobicContact CD2-CG 4.42Å; F2762-K2766 HydrophobicContact CE1-CG 3.74Å; F2762-K2766 HydrophobicContact CE2-CD 4.43Å; F2762-K2766 HydrophobicContact CE2-CG 4.19Å; F2762-K2766 HydrophobicContact CG-CG 4.37Å; F2762-K2766 HydrophobicContact CZ-CD 4.19Å; F2762-K2766 HydrophobicContact CZ-CG 3.85Å; F2762-K2766 WeakPolarHBondContact O-CB 3.4Å; F2762-K2766 VanDerWaalsContact O-CG 3.28Å; F2762-K2766 WeakPolarHBondContact O-CG 3.36Å; F2762-K2766 PolarHBondContact O-N 3.1Å; F2762-A3084 HydrophobicContact CB-CB 3.92Å; F2762-A3087 HydrophobicContact CD2-CB 3.88Å; F2762-A3087 HydrophobicContact CE2-CB 3.86Å; F2762-A3088 HydrophobicContact CD2-CB 4.23Å; F2762-A3088 HydrophobicContact CE2-CB 4.35Å; F2762-L3091 HydrophobicContact CE2-CD1 4.48Å; F2762-L3091 HydrophobicContact CZ-CD1 3.84Å; F2762-F3123 HydrophobicContact CB-CE1 4.45Å; F2762-F3123 HydrophobicContact CD2-CE1 4.42Å; F2762-F3123 HydrophobicContact CG-CE1 4.44Å; F2762-M3124 HydrophobicContact CD1-CE 4.42Å; F2762-M3124 HydrophobicContact CD1-SD 4.39Å; F2762-M3124 HydrophobicContact CE1-CE 3.47Å; F2762-M3124 VanDerWaalsContact CE1-CE 3.46Å; F2762-M3124 HydrophobicContact CE1-SD 3.87Å; F2762-M3124 HydrophobicContact CE2-CE 4.43Å; F2762-M3124 HydrophobicContact CE2-SD 3.99Å; F2762-M3124 HydrophobicContact CZ-CE 3.45Å; F2762-M3124 VanDerWaalsContact CZ-CE 3.45Å; F2762-M3124 HydrophobicContact CZ-SD 3.57Å; F2762-M3124 WeakPolarHBondContact CZ-SD 3.45Å; F2762-N3153 HydrophobicContact CE1-CB 4.18Å; F2762-N3153 HydrophobicContact CZ-CB 4.42Å
2763Q87.4Confident88Confident42.4 Ų42.454.6 Ų54.620%0.19827%0.267CS..Hα-helixtrans-61.3-44.2174.4-88.1-178.6-1.700110.9F2731 I2759 K2760 K2761 S2767 P3081 A3084F2731-Q2763 VanDerWaalsContact CE1-NE2 3.27Å; F2731-Q2763 VanDerWaalsContact CZ-NE2 3.34Å; I2759-Q2763 HydrophobicContact CG2-CG 4.19Å; I2759-Q2763 VanDerWaalsContact O-CB 3.29Å; I2759-Q2763 WeakPolarHBondContact O-CB 3.34Å; I2759-Q2763 WeakPolarHBondContact O-CG 3.32Å; I2759-Q2763 PolarHBondContact O-N 3.09Å; K2760-Q2763 PolarHBondContact O-N 3.15Å; K2761-Q2763 PolarHBondContact O-N 3.18Å; Q2763-S2767 WeakPolarHBondContact O-CA 3.4Å; Q2763-S2767 WeakPolarHBondContact O-CB 3.42Å; Q2763-S2767 PolarHBondContact O-N 2.96Å; Q2763-S2767 PolarHBondContact O-OG 2.96Å; Q2763-P3081 VanDerWaalsContact NE2-CA 3.33Å; Q2763-A3084 HydrophobicContact CG-CB 3.65Å
2764F86.2Confident88Confident116 Ų11653.6 Ų53.651%0.50926%0.262SS..Hα-helixtrans-63.6-56.2178.6-176.6-97.2000111.9H2712 K2760 K2761 F2762 K2766 S2767 A2768H2712-F2764 AromaticContact CE1-CD2 3.56Å; H2712-F2764 AromaticContact CE1-CE2 3.7Å; H2712-F2764 AromaticContact NE2-CD2 3.49Å; H2712-F2764 WeakPolarHBondContact NE2-CD2 3.34Å; H2712-F2764 AromaticContact NE2-CE2 3.91Å; K2760-F2764 WeakPolarHBondContact O-CB 3.33Å; K2760-F2764 PolarHBondContact O-N 3.16Å; K2761-F2764 WeakPolarHBondContact O-CB 3.15Å; K2761-F2764 PolarHBondContact O-N 3.17Å; F2762-F2764 VanDerWaalsContact C-N 3.33Å; F2762-F2764 PolarHBondContact O-N 2.73Å; F2764-K2766 PolarHBondContact O-N 3.19Å; F2764-S2767 PolarHBondContact O-N 3.19Å; F2764-S2767 PolarHBondContact O-OG 3.06Å; F2764-S2767 VanDerWaalsContact O-OG 3.07Å; F2764-A2768 WeakPolarHBondContact O-CB 3.19Å; F2764-A2768 PolarHBondContact O-N 3.16Å
2765E88.1Confident87.9Confident87 Ų8756.1 Ų56.141%0.40728%0.279SS..Hα-helixtrans-60-45.6-177.5-71.2174.2172.600112.1K2761 F2762 A2768 A2769K2761-E2765 WeakPolarHBondContact CE-OE1 3.3Å; K2761-E2765 HydrophobicContact CG-CG 4.37Å; K2761-E2765 WeakPolarHBondContact CG-OE1 3.28Å; K2761-E2765 IonicContact NZ-OE1 3.77Å; K2761-E2765 WeakPolarHBondContact O-CB 3.34Å; K2761-E2765 WeakPolarHBondContact O-CG 3.33Å; K2761-E2765 PolarHBondContact O-N 3.3Å; F2762-E2765 PolarHBondContact O-N 3.39Å; E2765-A2768 PolarHBondContact O-N 2.85Å; E2765-A2769 WeakPolarHBondContact O-CB 3.2Å; E2765-A2769 PolarHBondContact O-N 2.93Å
2766K88.9Confident87.7Confident69.2 Ų69.259.9 Ų59.930%0.30130%0.302SS..Hα-helixtrans-73.7-35.9179.5-63.6-66.7-178.4177.90112.1F2762 F2764 A2768 A2769 I2770 L3080 F3123 M3124F2762-K2766 HydrophobicContact CD1-CG 4.02Å; F2762-K2766 HydrophobicContact CD2-CG 4.42Å; F2762-K2766 HydrophobicContact CE1-CG 3.74Å; F2762-K2766 HydrophobicContact CE2-CD 4.43Å; F2762-K2766 HydrophobicContact CE2-CG 4.19Å; F2762-K2766 HydrophobicContact CG-CG 4.37Å; F2762-K2766 HydrophobicContact CZ-CD 4.19Å; F2762-K2766 HydrophobicContact CZ-CG 3.85Å; F2762-K2766 WeakPolarHBondContact O-CB 3.4Å; F2762-K2766 VanDerWaalsContact O-CG 3.28Å; F2762-K2766 WeakPolarHBondContact O-CG 3.36Å; F2762-K2766 PolarHBondContact O-N 3.1Å; F2764-K2766 PolarHBondContact O-N 3.19Å; K2766-A2768 VanDerWaalsContact C-N 3.33Å; K2766-A2768 PolarHBondContact O-N 3.17Å; K2766-A2769 PolarHBondContact O-N 3.15Å; K2766-I2770 VanDerWaalsContact O-CB 3.28Å; K2766-I2770 WeakPolarHBondContact O-CB 3.4Å; K2766-I2770 WeakPolarHBondContact O-CD1 3.3Å; K2766-I2770 WeakPolarHBondContact O-CG1 3.37Å; K2766-I2770 PolarHBondContact O-N 3.1Å; K2766-L3080 HydrophobicContact CB-CD1 3.55Å; K2766-L3080 HydrophobicContact CB-CD2 4.12Å; K2766-L3080 HydrophobicContact CB-CG 4.44Å; K2766-L3080 HydrophobicContact CG-CD1 4.27Å; K2766-F3123 WeakPolarHBondContact CE-O 3.37Å; K2766-F3123 HydrophobicContact CG-CE1 4.41Å; K2766-F3123 HydrophobicContact CG-CE2 4.48Å; K2766-F3123 HydrophobicContact CG-CZ 4.02Å; K2766-F3123 PolarHBondContact NZ-O 3.16Å; K2766-M3124 PolarHBondContact NZ-O 3.49Å
2767S87.2Confident87.4Confident18.8 Ų18.861.4 Ų61.413%0.13131%0.311CS..Hα-helixtrans-66.9-36.2176.757.80000111.8Q2763 F2764 R2771Q2763-S2767 WeakPolarHBondContact O-CA 3.4Å; Q2763-S2767 WeakPolarHBondContact O-CB 3.42Å; Q2763-S2767 PolarHBondContact O-N 2.96Å; Q2763-S2767 PolarHBondContact O-OG 2.96Å; F2764-S2767 PolarHBondContact O-N 3.19Å; F2764-S2767 PolarHBondContact O-OG 3.06Å; F2764-S2767 VanDerWaalsContact O-OG 3.07Å; S2767-R2771 VanDerWaalsContact O-CB 3.28Å; S2767-R2771 WeakPolarHBondContact O-CB 3.39Å; S2767-R2771 VanDerWaalsContact O-CG 3.26Å; S2767-R2771 WeakPolarHBondContact O-CG 3.3Å; S2767-R2771 PolarHBondContact O-N 3.34Å; S2767-R2771 VanDerWaalsContact O-N 3.12Å; S2767-R2771 PolarHBondContact O-NE 3.44Å; S2767-R2771 PolarHBondContact O-NH1 2.74Å; S2767-R2771 PolarHBondContact OG-NH1 3.05Å; S2767-R2771 PolarHBondContact OG-NH2 3.32Å
2768A86.2Confident87.3Confident33.6 Ų33.663.5 Ų63.528%0.27832%0.316SS..Hα-helixtrans-61.3-54.7172.200000110.6F2764 E2765 K2766 I2770 R2771 D2772F2764-A2768 WeakPolarHBondContact O-CB 3.19Å; F2764-A2768 PolarHBondContact O-N 3.16Å; E2765-A2768 PolarHBondContact O-N 2.85Å; K2766-A2768 VanDerWaalsContact C-N 3.33Å; K2766-A2768 PolarHBondContact O-N 3.17Å; A2768-I2770 VanDerWaalsContact C-N 3.33Å; A2768-I2770 PolarHBondContact O-N 3.13Å; A2768-R2771 CarbonylContact O-C 3.54Å; A2768-R2771 WeakPolarHBondContact O-CA 3.45Å; A2768-R2771 WeakPolarHBondContact O-CB 3.42Å; A2768-R2771 PolarHBondContact O-N 2.99Å; A2768-R2771 VanDerWaalsContact O-N 3.14Å; A2768-D2772 WeakPolarHBondContact O-CB 3.32Å; A2768-D2772 VanDerWaalsContact O-CG 3.28Å; A2768-D2772 PolarHBondContact O-N 3.28Å
2769A86.4Confident86.9Confident57.2 Ų57.265 Ų6547%0.47333%0.33SS..Hα-helixtrans-59.2-39.2179.500000113.6E2765 K2766 R2773E2765-A2769 WeakPolarHBondContact O-CB 3.2Å; E2765-A2769 PolarHBondContact O-N 2.93Å; K2766-A2769 PolarHBondContact O-N 3.15Å; A2769-R2773 VanDerWaalsContact O-CB 3.26Å; A2769-R2773 WeakPolarHBondContact O-CB 3.37Å; A2769-R2773 PolarHBondContact O-N 3.01Å; A2769-R2773 VanDerWaalsContact O-N 3.15Å
2770I86.7Confident86.5Confident30 Ų3065.5 Ų65.515%0.15434%0.336CS..Hα-helixtrans-69-42.5176.7-69.8167.4000110.9K2766 A2768 D2772 R2773 L2774 I3073 E3076 L3077 L3080K2766-I2770 VanDerWaalsContact O-CB 3.28Å; K2766-I2770 WeakPolarHBondContact O-CB 3.4Å; K2766-I2770 WeakPolarHBondContact O-CD1 3.3Å; K2766-I2770 WeakPolarHBondContact O-CG1 3.37Å; K2766-I2770 PolarHBondContact O-N 3.1Å; A2768-I2770 VanDerWaalsContact C-N 3.33Å; A2768-I2770 PolarHBondContact O-N 3.13Å; I2770-D2772 VanDerWaalsContact C-N 3.33Å; I2770-D2772 PolarHBondContact O-N 3.17Å; I2770-R2773 PolarHBondContact O-N 3.01Å; I2770-L2774 VanDerWaalsContact O-CB 3.31Å; I2770-L2774 WeakPolarHBondContact O-CB 3.4Å; I2770-L2774 PolarHBondContact O-N 3.16Å; I2770-I3073 HydrophobicContact CG2-CG2 3.73Å; I2770-E3076 HydrophobicContact CD1-CG 3.97Å; I2770-L3077 HydrophobicContact CB-CD1 4.3Å; I2770-L3077 HydrophobicContact CG2-CB 4.05Å; I2770-L3077 HydrophobicContact CG2-CD1 3.94Å; I2770-L3077 HydrophobicContact CG2-CG 4.4Å; I2770-L3080 HydrophobicContact CD1-CD1 4.29Å; I2770-L3080 HydrophobicContact CD1-CD2 4.26Å
2771R87.2Confident86.3Confident132.6 Ų132.664.5 Ų64.550%0.533%0.333SS..Hα-helixtrans-64.3-39.1176.9-77.3-177.8-143.6122.2-0.1111.8S2767 A2768 L2774 S2775 L3077S2767-R2771 VanDerWaalsContact O-CB 3.28Å; S2767-R2771 WeakPolarHBondContact O-CB 3.39Å; S2767-R2771 VanDerWaalsContact O-CG 3.26Å; S2767-R2771 WeakPolarHBondContact O-CG 3.3Å; S2767-R2771 PolarHBondContact O-N 3.34Å; S2767-R2771 VanDerWaalsContact O-N 3.12Å; S2767-R2771 PolarHBondContact O-NE 3.44Å; S2767-R2771 PolarHBondContact O-NH1 2.74Å; S2767-R2771 PolarHBondContact OG-NH1 3.05Å; S2767-R2771 PolarHBondContact OG-NH2 3.32Å; A2768-R2771 CarbonylContact O-C 3.54Å; A2768-R2771 WeakPolarHBondContact O-CA 3.45Å; A2768-R2771 WeakPolarHBondContact O-CB 3.42Å; A2768-R2771 PolarHBondContact O-N 2.99Å; A2768-R2771 VanDerWaalsContact O-N 3.14Å; R2771-L2774 PolarHBondContact O-N 3.23Å; R2771-S2775 VanDerWaalsContact O-CB 3.29Å; R2771-S2775 WeakPolarHBondContact O-CB 3.36Å; R2771-S2775 PolarHBondContact O-N 3.14Å; R2771-L3077 HydrophobicContact CG-CD1 4.01Å
2772D84.7Confident86Confident106.8 Ų106.864.3 Ų64.357%0.57134%0.34SS*.Hα-helixtrans-63.2-48.1176-67.7-20.7000110.8A2768 I2770 L2774 S2775 V2776A2768-D2772 WeakPolarHBondContact O-CB 3.32Å; A2768-D2772 VanDerWaalsContact O-CG 3.28Å; A2768-D2772 PolarHBondContact O-N 3.28Å; I2770-D2772 VanDerWaalsContact C-N 3.33Å; I2770-D2772 PolarHBondContact O-N 3.17Å; D2772-L2774 VanDerWaalsContact C-N 3.31Å; D2772-L2774 PolarHBondContact O-N 3.08Å; D2772-S2775 WeakPolarHBondContact O-CB 3.41Å; D2772-S2775 PolarHBondContact O-N 3.25Å; D2772-S2775 VanDerWaalsContact O-N 3.16Å; D2772-S2775 PolarHBondContact O-OG 2.76Å; D2772-V2776 WeakPolarHBondContact O-CG2 3.36Å; D2772-V2776 PolarHBondContact O-N 3.1Å; D2772-V2776 VanDerWaalsContact O-N 3.14Å
2773R85.7Confident85.6Confident127.2 Ų127.268 Ų6848%0.4836%0.357SS..Hα-helixtrans-60-40.7174.9-174.3177.9131.7-171.6-4.5112.1A2769 I2770 V2776 L2777 I3073 E3076A2769-R2773 VanDerWaalsContact O-CB 3.26Å; A2769-R2773 WeakPolarHBondContact O-CB 3.37Å; A2769-R2773 PolarHBondContact O-N 3.01Å; A2769-R2773 VanDerWaalsContact O-N 3.15Å; I2770-R2773 PolarHBondContact O-N 3.01Å; R2773-V2776 PolarHBondContact O-N 3.15Å; R2773-L2777 HydrophobicContact CG-CD1 4.06Å; R2773-L2777 HydrophobicContact CG-CG 4.39Å; R2773-L2777 VanDerWaalsContact O-CB 3.3Å; R2773-L2777 WeakPolarHBondContact O-CB 3.37Å; R2773-L2777 VanDerWaalsContact O-CG 3.25Å; R2773-L2777 WeakPolarHBondContact O-CG 3.33Å; R2773-L2777 PolarHBondContact O-N 3.09Å; R2773-L2777 VanDerWaalsContact O-N 3.07Å; R2773-I3073 HydrophobicContact CG-CD1 4.09Å; R2773-I3073 VanDerWaalsContact CZ-CD1 3.44Å; R2773-I3073 VanDerWaalsContact CZ-CG1 3.46Å; R2773-I3073 VanDerWaalsContact NE-CD1 3.32Å; R2773-E3076 IonicContact CZ-OE2 3.04Å; R2773-E3076 IonicContact NH1-OE2 3.13Å; R2773-E3076 PolarHBondContact NH1-OE2 2.97Å; R2773-E3076 IonicContact NH2-OE1 3.24Å; R2773-E3076 IonicContact NH2-OE2 3.62Å; R2773-E3076 PolarHBondContact NH2-OE2 2.9Å
2774L86.2Confident85.2Confident32.4 Ų32.467.9 Ų67.917%0.1736%0.357CS..Hα-helixtrans-67.1-38.6177.6-175.2159.2000111.4I2770 R2771 D2772 L2777 K2778 I3073 L3077I2770-L2774 VanDerWaalsContact O-CB 3.31Å; I2770-L2774 WeakPolarHBondContact O-CB 3.4Å; I2770-L2774 PolarHBondContact O-N 3.16Å; R2771-L2774 PolarHBondContact O-N 3.23Å; D2772-L2774 VanDerWaalsContact C-N 3.31Å; D2772-L2774 PolarHBondContact O-N 3.08Å; L2774-L2777 PolarHBondContact O-N 3.02Å; L2774-K2778 HydrophobicContact CD2-CD 3.54Å; L2774-K2778 VanDerWaalsContact CD2-CD 3.43Å; L2774-K2778 HydrophobicContact CD2-CG 4.02Å; L2774-K2778 HydrophobicContact CG-CD 4.39Å; L2774-K2778 VanDerWaalsContact O-CB 3.29Å; L2774-K2778 WeakPolarHBondContact O-CB 3.34Å; L2774-K2778 WeakPolarHBondContact O-CG 3.32Å; L2774-K2778 PolarHBondContact O-N 3.27Å; L2774-I3073 HydrophobicContact CB-CG2 4.05Å; L2774-I3073 HydrophobicContact CD1-CG2 4.2Å; L2774-I3073 HydrophobicContact CG-CG2 4.44Å; L2774-L3077 HydrophobicContact CD1-CD2 4.45Å
2775S85.9Confident85.1Confident70.8 Ų70.865.9 Ų65.950%0.49535%0.352SS..Hα-helixtrans-61.4-48174.41620000111.4R2771 D2772 L2777 K2778 S2779R2771-S2775 VanDerWaalsContact O-CB 3.29Å; R2771-S2775 WeakPolarHBondContact O-CB 3.36Å; R2771-S2775 PolarHBondContact O-N 3.14Å; D2772-S2775 WeakPolarHBondContact O-CB 3.41Å; D2772-S2775 PolarHBondContact O-N 3.25Å; D2772-S2775 VanDerWaalsContact O-N 3.16Å; D2772-S2775 PolarHBondContact O-OG 2.76Å; S2775-L2777 VanDerWaalsContact C-N 3.34Å; S2775-L2777 PolarHBondContact O-N 3.03Å; S2775-K2778 PolarHBondContact O-N 3.18Å; S2775-S2779 VanDerWaalsContact O-CB 3.31Å; S2775-S2779 WeakPolarHBondContact O-CB 3.29Å; S2775-S2779 PolarHBondContact O-N 3.08Å; S2775-S2779 VanDerWaalsContact O-N 3.1Å; S2775-S2779 PolarHBondContact O-OG 2.8Å
2776V85Confident84.7Confident90 Ų9067 Ų6755%0.54536%0.357SS..Hα-helixtrans-60.6-46.2176.5173.90000110.8D2772 R2773 S2779 G2780D2772-V2776 WeakPolarHBondContact O-CG2 3.36Å; D2772-V2776 PolarHBondContact O-N 3.1Å; D2772-V2776 VanDerWaalsContact O-N 3.14Å; R2773-V2776 PolarHBondContact O-N 3.15Å; V2776-S2779 WeakPolarHBondContact O-CB 3.35Å; V2776-S2779 PolarHBondContact O-N 3.22Å; V2776-S2779 PolarHBondContact O-OG 3.21Å; V2776-G2780 PolarHBondContact O-N 3.35Å
2777L84.6Confident84.3Confident33 Ų3365.4 Ų65.417%0.17336%0.356CS..Hα-helixtrans-66.8-42.4179.9-133.5102.4000112.6R2773 L2774 S2775 S2779 G2780 I2781 W3066 Q3069 L3070 I3073R2773-L2777 HydrophobicContact CG-CD1 4.06Å; R2773-L2777 HydrophobicContact CG-CG 4.39Å; R2773-L2777 VanDerWaalsContact O-CB 3.3Å; R2773-L2777 WeakPolarHBondContact O-CB 3.37Å; R2773-L2777 VanDerWaalsContact O-CG 3.25Å; R2773-L2777 WeakPolarHBondContact O-CG 3.33Å; R2773-L2777 PolarHBondContact O-N 3.09Å; R2773-L2777 VanDerWaalsContact O-N 3.07Å; L2774-L2777 PolarHBondContact O-N 3.02Å; S2775-L2777 VanDerWaalsContact C-N 3.34Å; S2775-L2777 PolarHBondContact O-N 3.03Å; L2777-S2779 VanDerWaalsContact C-N 3.32Å; L2777-S2779 PolarHBondContact O-N 3.06Å; L2777-G2780 PolarHBondContact O-N 3.27Å; L2777-I2781 HydrophobicContact CG-CD1 4.15Å; L2777-I2781 VanDerWaalsContact O-CB 3.31Å; L2777-I2781 WeakPolarHBondContact O-CB 3.35Å; L2777-I2781 WeakPolarHBondContact O-CD1 3.39Å; L2777-I2781 WeakPolarHBondContact O-CG1 3.22Å; L2777-I2781 PolarHBondContact O-N 3.28Å; L2777-W3066 HydrophobicContact CD1-CB 3.65Å; L2777-W3066 HydrophobicContact CD1-CD2 4.1Å; L2777-W3066 HydrophobicContact CD1-CG 3.6Å; L2777-W3066 HydrophobicContact CD2-CB 3.76Å; L2777-W3066 HydrophobicContact CD2-CD2 4.26Å; L2777-W3066 HydrophobicContact CD2-CG 3.71Å; L2777-W3066 WeakPolarHBondContact CD2-O 3.43Å; L2777-W3066 HydrophobicContact CG-CB 4.39Å; L2777-Q3069 HydrophobicContact CD2-CB 4.02Å; L2777-L3070 HydrophobicContact CD2-CB 3.86Å; L2777-I3073 HydrophobicContact CD1-CD1 3.13Å; L2777-I3073 HydrophobicContact CD2-CD1 3.73Å
2778K86.4Confident83.9Confident109.8 Ų109.869.7 Ų69.748%0.47737%0.369SS..Hα-helixtrans-60.9-42.2174-82.2-173.9179.2174.30111.4L2774 S2775 G2780 I2781 S2782 L3070 H3074L2774-K2778 HydrophobicContact CD2-CD 3.54Å; L2774-K2778 VanDerWaalsContact CD2-CD 3.43Å; L2774-K2778 HydrophobicContact CD2-CG 4.02Å; L2774-K2778 HydrophobicContact CG-CD 4.39Å; L2774-K2778 VanDerWaalsContact O-CB 3.29Å; L2774-K2778 WeakPolarHBondContact O-CB 3.34Å; L2774-K2778 WeakPolarHBondContact O-CG 3.32Å; L2774-K2778 PolarHBondContact O-N 3.27Å; S2775-K2778 PolarHBondContact O-N 3.18Å; K2778-G2780 VanDerWaalsContact C-N 3.34Å; K2778-G2780 PolarHBondContact O-N 3.39Å; K2778-I2781 PolarHBondContact O-N 3.27Å; K2778-S2782 VanDerWaalsContact O-CB 3.27Å; K2778-S2782 WeakPolarHBondContact O-CB 3.37Å; K2778-S2782 PolarHBondContact O-N 3.01Å; K2778-L3070 HydrophobicContact CG-CD1 3.74Å; K2778-H3074 VanDerWaalsContact CE-CE1 3.47Å; K2778-H3074 WeakPolarHBondContact CE-CE1 3.43Å; K2778-H3074 PolarHBondContact NZ-NE2 2.99Å
2779S82.1Confident83.6Confident56.8 Ų56.870.5 Ų70.540%0.39737%0.373SS..Hα-helixtrans-63.9-41.9176.8146.40000111.7S2775 V2776 L2777 S2782 K2783S2775-S2779 VanDerWaalsContact O-CB 3.31Å; S2775-S2779 WeakPolarHBondContact O-CB 3.29Å; S2775-S2779 PolarHBondContact O-N 3.08Å; S2775-S2779 VanDerWaalsContact O-N 3.1Å; S2775-S2779 PolarHBondContact O-OG 2.8Å; V2776-S2779 WeakPolarHBondContact O-CB 3.35Å; V2776-S2779 PolarHBondContact O-N 3.22Å; V2776-S2779 PolarHBondContact O-OG 3.21Å; L2777-S2779 VanDerWaalsContact C-N 3.32Å; L2777-S2779 PolarHBondContact O-N 3.06Å; S2779-S2782 WeakPolarHBondContact O-CB 3.37Å; S2779-S2782 PolarHBondContact O-N 3.25Å; S2779-K2783 WeakPolarHBondContact O-CB 3.38Å; S2779-K2783 VanDerWaalsContact O-CG 3.28Å; S2779-K2783 WeakPolarHBondContact O-CG 3.31Å; S2779-K2783 PolarHBondContact O-N 3.21Å; S2779-K2783 VanDerWaalsContact O-N 3.09Å
2780G83.1Confident83.3Confident16.6 Ų16.671.2 Ų71.217%0.17137%0.371CS..Hα-helixtrans-64-45.7176.100000112.8V2776 L2777 K2778 S2782 K2783 L2784V2776-G2780 PolarHBondContact O-N 3.35Å; L2777-G2780 PolarHBondContact O-N 3.27Å; K2778-G2780 VanDerWaalsContact C-N 3.34Å; K2778-G2780 PolarHBondContact O-N 3.39Å; G2780-S2782 VanDerWaalsContact C-N 3.35Å; G2780-S2782 PolarHBondContact O-N 3.34Å; G2780-K2783 CarbonylContact O-C 3.54Å; G2780-K2783 PolarHBondContact O-N 2.85Å; G2780-L2784 WeakPolarHBondContact O-CB 3.07Å; G2780-L2784 VanDerWaalsContact O-CG 3.29Å; G2780-L2784 WeakPolarHBondContact O-CG 3.45Å; G2780-L2784 PolarHBondContact O-N 3.32Å
2781I84.7Confident83Confident32 Ų3271 Ų7116%0.16437%0.372CS..Hα-helixtrans-64.9-40.3176.4-68.8167000111L2777 K2778 K2783 L2784 N2785 Y3063 W3066 T3067 L3070L2777-I2781 HydrophobicContact CG-CD1 4.15Å; L2777-I2781 VanDerWaalsContact O-CB 3.31Å; L2777-I2781 WeakPolarHBondContact O-CB 3.35Å; L2777-I2781 WeakPolarHBondContact O-CD1 3.39Å; L2777-I2781 WeakPolarHBondContact O-CG1 3.22Å; L2777-I2781 PolarHBondContact O-N 3.28Å; K2778-I2781 PolarHBondContact O-N 3.27Å; I2781-K2783 PolarHBondContact O-N 3.46Å; I2781-L2784 CarbonylContact O-C 3.22Å; I2781-L2784 PolarHBondContact O-N 3.21Å; I2781-N2785 VanDerWaalsContact O-CB 3.3Å; I2781-N2785 WeakPolarHBondContact O-CB 3.13Å; I2781-N2785 PolarHBondContact O-N 3.05Å; I2781-N2785 PolarHBondContact O-ND2 3.31Å; I2781-Y3063 HydrophobicContact CG2-CE2 3.88Å; I2781-W3066 HydrophobicContact CD1-CB 4.07Å; I2781-W3066 HydrophobicContact CG1-CB 4.09Å; I2781-W3066 HydrophobicContact CG1-CE3 4.49Å; I2781-T3067 HydrophobicContact CD1-CG2 4.17Å; I2781-T3067 HydrophobicContact CG2-CG2 4.27Å; I2781-L3070 HydrophobicContact CD1-CB 4.16Å; I2781-L3070 HydrophobicContact CD1-CD1 3.59Å; I2781-L3070 HydrophobicContact CD1-CG 4.42Å
2782S84Confident82.6Confident64 Ų6470.8 Ų70.845%0.44838%0.376SS..Hα-helixtrans-59.5-45.8175.6-171.10000111.5K2778 S2779 G2780 L2784 N2785 E2786K2778-S2782 VanDerWaalsContact O-CB 3.27Å; K2778-S2782 WeakPolarHBondContact O-CB 3.37Å; K2778-S2782 PolarHBondContact O-N 3.01Å; S2779-S2782 WeakPolarHBondContact O-CB 3.37Å; S2779-S2782 PolarHBondContact O-N 3.25Å; G2780-S2782 VanDerWaalsContact C-N 3.35Å; G2780-S2782 PolarHBondContact O-N 3.34Å; S2782-L2784 VanDerWaalsContact C-N 3.33Å; S2782-L2784 PolarHBondContact O-N 3.18Å; S2782-N2785 CarbonylContact O-C 3.28Å; S2782-N2785 WeakPolarHBondContact O-CB 3.3Å; S2782-N2785 PolarHBondContact O-N 3.15Å; S2782-N2785 VanDerWaalsContact O-N 3.13Å; S2782-E2786 WeakPolarHBondContact O-CB 3.35Å; S2782-E2786 WeakPolarHBondContact O-CG 3.37Å; S2782-E2786 PolarHBondContact O-N 3.21Å
2783K81.1Confident82.4Confident102.4 Ų102.471.8 Ų71.845%0.44538%0.376SS..Hα-helixtrans-65.9-35.1177-76.4-178.4177.1-169.70113.2S2779 G2780 I2781 N2785 E2786 A2787 A3279 L3281 K3282S2779-K2783 WeakPolarHBondContact O-CB 3.38Å; S2779-K2783 VanDerWaalsContact O-CG 3.28Å; S2779-K2783 WeakPolarHBondContact O-CG 3.31Å; S2779-K2783 PolarHBondContact O-N 3.21Å; S2779-K2783 VanDerWaalsContact O-N 3.09Å; G2780-K2783 CarbonylContact O-C 3.54Å; G2780-K2783 PolarHBondContact O-N 2.85Å; I2781-K2783 PolarHBondContact O-N 3.46Å; K2783-N2785 VanDerWaalsContact C-N 3.27Å; K2783-E2786 PolarHBondContact O-N 3.25Å; K2783-A2787 WeakPolarHBondContact O-CB 3.36Å; K2783-A2787 PolarHBondContact O-N 2.88Å; K2783-A3279 PolarHBondContact NZ-O 2.8Å; K2783-L3281 PolarHBondContact NZ-O 2.79Å; K2783-K3282 HydrophobicContact CD-CD 4.26Å; K2783-K3282 HydrophobicContact CD-CG 3.81Å; K2783-K3282 HydrophobicContact CG-CD 3.78Å; K2783-K3282 HydrophobicContact CG-CG 3.93Å
2784L79.8Confident82.1Confident39 Ų3968.2 Ų68.220%0.20437%0.366CS..Hα-helixtrans-67.8-37.6172.9-72.9175.2000112.1G2780 I2781 S2782 E2786 A2787 R2788 L3059 Y3063 W3066G2780-L2784 WeakPolarHBondContact O-CB 3.07Å; G2780-L2784 VanDerWaalsContact O-CG 3.29Å; G2780-L2784 WeakPolarHBondContact O-CG 3.45Å; G2780-L2784 PolarHBondContact O-N 3.32Å; I2781-L2784 CarbonylContact O-C 3.22Å; I2781-L2784 PolarHBondContact O-N 3.21Å; S2782-L2784 VanDerWaalsContact C-N 3.33Å; S2782-L2784 PolarHBondContact O-N 3.18Å; L2784-E2786 VanDerWaalsContact C-N 3.33Å; L2784-A2787 PolarHBondContact O-N 3.06Å; L2784-R2788 WeakPolarHBondContact O-CA 3.46Å; L2784-R2788 WeakPolarHBondContact O-CB 3.25Å; L2784-R2788 WeakPolarHBondContact O-CG 3.31Å; L2784-R2788 PolarHBondContact O-N 3.17Å; L2784-L3059 HydrophobicContact CD2-CB 4.11Å; L2784-L3059 HydrophobicContact CD2-CD1 3.76Å; L2784-L3059 HydrophobicContact CD2-CG 4.36Å; L2784-Y3063 HydrophobicContact CB-CD2 3.98Å; L2784-Y3063 HydrophobicContact CB-CE2 4.43Å; L2784-Y3063 HydrophobicContact CD1-CD2 3.98Å; L2784-W3066 HydrophobicContact CD1-CE3 3.74Å; L2784-W3066 HydrophobicContact CD1-CH2 4.47Å; L2784-W3066 HydrophobicContact CD1-CZ3 3.55Å; L2784-W3066 VanDerWaalsContact CD1-CZ3 3.42Å; L2784-W3066 HydrophobicContact CG-CZ3 4.4Å
2785N82.2Confident81.7Confident74.4 Ų74.471.4 Ų71.440%0.39838%0.378SS..Hα-helixtrans-67.8-39.3174.5-74.9-24.5000111.8I2781 S2782 K2783 R2788 S2789 Y3063I2781-N2785 VanDerWaalsContact O-CB 3.3Å; I2781-N2785 WeakPolarHBondContact O-CB 3.13Å; I2781-N2785 PolarHBondContact O-N 3.05Å; I2781-N2785 PolarHBondContact O-ND2 3.31Å; S2782-N2785 CarbonylContact O-C 3.28Å; S2782-N2785 WeakPolarHBondContact O-CB 3.3Å; S2782-N2785 PolarHBondContact O-N 3.15Å; S2782-N2785 VanDerWaalsContact O-N 3.13Å; K2783-N2785 VanDerWaalsContact C-N 3.27Å; N2785-R2788 PolarHBondContact O-N 3.04Å; N2785-S2789 WeakPolarHBondContact O-CB 3.29Å; N2785-S2789 PolarHBondContact O-N 2.87Å; N2785-Y3063 PolarHBondContact ND2-OH 3.45Å; N2785-Y3063 VanDerWaalsContact OD1-CE2 3.29Å; N2785-Y3063 WeakPolarHBondContact OD1-CE2 3.23Å; N2785-Y3063 PolarHBondContact OD1-OH 3.28Å; N2785-Y3063 VanDerWaalsContact OD1-OH 3.13Å
2786E81.1Confident81.4Confident110.8 Ų110.871.7 Ų71.752%0.51838%0.38SS..Hα-helixtrans-62.6-47.6172-110.3177.5-165.600111.1S2782 K2783 L2784 R2788 S2789 V2790 K3282S2782-E2786 WeakPolarHBondContact O-CB 3.35Å; S2782-E2786 WeakPolarHBondContact O-CG 3.37Å; S2782-E2786 PolarHBondContact O-N 3.21Å; K2783-E2786 PolarHBondContact O-N 3.25Å; L2784-E2786 VanDerWaalsContact C-N 3.33Å; E2786-R2788 VanDerWaalsContact C-N 3.3Å; E2786-R2788 PolarHBondContact O-N 3.21Å; E2786-S2789 CarbonylContact O-C 3.5Å; E2786-S2789 WeakPolarHBondContact O-CB 3.39Å; E2786-S2789 PolarHBondContact O-N 3.16Å; E2786-S2789 VanDerWaalsContact O-N 3.14Å; E2786-V2790 WeakPolarHBondContact O-CB 3.15Å; E2786-V2790 VanDerWaalsContact O-CG2 3.31Å; E2786-V2790 WeakPolarHBondContact O-CG2 3.37Å; E2786-V2790 PolarHBondContact O-N 2.87Å; E2786-K3282 IonicContact OE1-NZ 2.82Å; E2786-K3282 PolarHBondContact OE1-NZ 2.92Å; E2786-K3282 WeakPolarHBondContact OE2-CD 3.4Å; E2786-K3282 WeakPolarHBondContact OE2-CE 3.33Å; E2786-K3282 IonicContact OE2-NZ 3.38Å; E2786-K3282 PolarHBondContact OE2-NZ 3.46Å
2787A79.2Confident81.1Confident34.8 Ų34.872.3 Ų72.329%0.28838%0.377SS..Hα-helixtrans-60.5-41.5176.400000111.9K2783 L2784 S2789 V2790 T2791K2783-A2787 WeakPolarHBondContact O-CB 3.36Å; K2783-A2787 PolarHBondContact O-N 2.88Å; L2784-A2787 PolarHBondContact O-N 3.06Å; A2787-S2789 PolarHBondContact O-N 2.81Å; A2787-V2790 PolarHBondContact O-N 2.96Å; A2787-T2791 WeakPolarHBondContact O-CB 3.31Å; A2787-T2791 VanDerWaalsContact O-CG2 3.25Å; A2787-T2791 WeakPolarHBondContact O-CG2 3.28Å; A2787-T2791 PolarHBondContact O-N 3.15Å; A2787-T2791 PolarHBondContact O-OG1 3.16Å
2788R79.1Confident80.8Confident108.8 Ų108.871.7 Ų71.741%0.41138%0.377SS..Hα-helixtrans-61.7-45.2173.3-116.3-179.1175.41721.2111.7L2784 N2785 E2786 V2790 T2791 E2792 T3056 Y3063L2784-R2788 WeakPolarHBondContact O-CA 3.46Å; L2784-R2788 WeakPolarHBondContact O-CB 3.25Å; L2784-R2788 WeakPolarHBondContact O-CG 3.31Å; L2784-R2788 PolarHBondContact O-N 3.17Å; N2785-R2788 PolarHBondContact O-N 3.04Å; E2786-R2788 VanDerWaalsContact C-N 3.3Å; E2786-R2788 PolarHBondContact O-N 3.21Å; R2788-V2790 VanDerWaalsContact C-N 3.35Å; R2788-V2790 PolarHBondContact O-N 3.08Å; R2788-T2791 VanDerWaalsContact C-OG1 3.27Å; R2788-T2791 VanDerWaalsContact CA-OG1 3.3Å; R2788-T2791 WeakPolarHBondContact CA-OG1 3.19Å; R2788-T2791 CarbonylContact O-C 3.54Å; R2788-T2791 PolarHBondContact O-N 3.03Å; R2788-T2791 PolarHBondContact O-OG1 2.93Å; R2788-E2792 HydrophobicContact CG-CG 4.38Å; R2788-E2792 IonicContact CZ-OE1 2.66Å; R2788-E2792 VanDerWaalsContact CZ-OE1 3.31Å; R2788-E2792 IonicContact NE-OE1 3.07Å; R2788-E2792 PolarHBondContact NE-OE1 3.48Å; R2788-E2792 IonicContact NH2-OE1 3.65Å; R2788-E2792 PolarHBondContact NH2-OE1 3.29Å; R2788-E2792 VanDerWaalsContact O-CB 3.31Å; R2788-E2792 WeakPolarHBondContact O-CB 3.41Å; R2788-E2792 WeakPolarHBondContact O-CG 3.27Å; R2788-E2792 PolarHBondContact O-N 3.14Å; R2788-E2792 VanDerWaalsContact O-N 3.1Å; R2788-T3056 HydrophobicContact CG-CG2 4.04Å; R2788-Y3063 VanDerWaalsContact NH1-CE1 3.32Å
2789S81.1Confident80.4Confident51.2 Ų51.271 Ų7136%0.35838%0.379SS..Hα-helixtrans-63.7-40.3176.8179.10000112.3N2785 E2786 A2787 T2791 E2792 K2793N2785-S2789 WeakPolarHBondContact O-CB 3.29Å; N2785-S2789 PolarHBondContact O-N 2.87Å; E2786-S2789 CarbonylContact O-C 3.5Å; E2786-S2789 WeakPolarHBondContact O-CB 3.39Å; E2786-S2789 PolarHBondContact O-N 3.16Å; E2786-S2789 VanDerWaalsContact O-N 3.14Å; A2787-S2789 PolarHBondContact O-N 2.81Å; S2789-T2791 VanDerWaalsContact C-N 3.33Å; S2789-T2791 PolarHBondContact O-N 3.41Å; S2789-E2792 PolarHBondContact O-N 3.09Å; S2789-K2793 VanDerWaalsContact O-CB 3.27Å; S2789-K2793 WeakPolarHBondContact O-CB 3Å; S2789-K2793 WeakPolarHBondContact O-CG 3.4Å; S2789-K2793 PolarHBondContact O-N 3.3Å; S2789-K2793 VanDerWaalsContact O-N 3.09Å
2790V80.4Confident80.3Confident71 Ų7174.2 Ų74.243%0.4339%0.387SS..Hα-helixtrans-65.4-40.8175171.90000110.6E2786 A2787 R2788 E2792 K2793 L2794E2786-V2790 WeakPolarHBondContact O-CB 3.15Å; E2786-V2790 VanDerWaalsContact O-CG2 3.31Å; E2786-V2790 WeakPolarHBondContact O-CG2 3.37Å; E2786-V2790 PolarHBondContact O-N 2.87Å; A2787-V2790 PolarHBondContact O-N 2.96Å; R2788-V2790 VanDerWaalsContact C-N 3.35Å; R2788-V2790 PolarHBondContact O-N 3.08Å; V2790-E2792 PolarHBondContact O-N 3.36Å; V2790-K2793 PolarHBondContact O-N 3.1Å; V2790-L2794 HydrophobicContact CG1-CD1 4.04Å; V2790-L2794 HydrophobicContact CG1-CG 4.4Å; V2790-L2794 VanDerWaalsContact O-CB 3.25Å; V2790-L2794 WeakPolarHBondContact O-CB 3.29Å; V2790-L2794 VanDerWaalsContact O-CG 3.31Å; V2790-L2794 WeakPolarHBondContact O-CG 3.31Å; V2790-L2794 PolarHBondContact O-N 3.11Å
2791T78.6Confident80.1Confident27.2 Ų27.274.9 Ų74.917%0.16739%0.387CS..Hα-helixtrans-66.1-37.4175.336.60000112.8A2787 R2788 S2789 K2793 L2794 K2795 A3052 T3056A2787-T2791 WeakPolarHBondContact O-CB 3.31Å; A2787-T2791 VanDerWaalsContact O-CG2 3.25Å; A2787-T2791 WeakPolarHBondContact O-CG2 3.28Å; A2787-T2791 PolarHBondContact O-N 3.15Å; A2787-T2791 PolarHBondContact O-OG1 3.16Å; R2788-T2791 VanDerWaalsContact C-OG1 3.27Å; R2788-T2791 VanDerWaalsContact CA-OG1 3.3Å; R2788-T2791 WeakPolarHBondContact CA-OG1 3.19Å; R2788-T2791 CarbonylContact O-C 3.54Å; R2788-T2791 PolarHBondContact O-N 3.03Å; R2788-T2791 PolarHBondContact O-OG1 2.93Å; S2789-T2791 VanDerWaalsContact C-N 3.33Å; S2789-T2791 PolarHBondContact O-N 3.41Å; T2791-K2793 VanDerWaalsContact C-N 3.34Å; T2791-K2793 PolarHBondContact O-N 3.38Å; T2791-L2794 CarbonylContact O-C 3.59Å; T2791-L2794 PolarHBondContact O-N 2.91Å; T2791-K2795 WeakPolarHBondContact O-CA 3.35Å; T2791-K2795 WeakPolarHBondContact O-CB 3.33Å; T2791-K2795 WeakPolarHBondContact O-CG 3.42Å; T2791-K2795 PolarHBondContact O-N 3.14Å; T2791-A3052 HydrophobicContact CG2-CB 3.22Å; T2791-T3056 HydrophobicContact CG2-CG2 4.25Å
2792E78.8Confident79.9Confident127.2 Ų127.275.4 Ų75.459%0.59439%0.393SS*.Hα-helixtrans-67.4-38.6174.2-80.6-179.9169.300112R2788 S2789 V2790 K2795 S2796R2788-E2792 HydrophobicContact CG-CG 4.38Å; R2788-E2792 IonicContact CZ-OE1 2.66Å; R2788-E2792 VanDerWaalsContact CZ-OE1 3.31Å; R2788-E2792 IonicContact NE-OE1 3.07Å; R2788-E2792 PolarHBondContact NE-OE1 3.48Å; R2788-E2792 IonicContact NH2-OE1 3.65Å; R2788-E2792 PolarHBondContact NH2-OE1 3.29Å; R2788-E2792 VanDerWaalsContact O-CB 3.31Å; R2788-E2792 WeakPolarHBondContact O-CB 3.41Å; R2788-E2792 WeakPolarHBondContact O-CG 3.27Å; R2788-E2792 PolarHBondContact O-N 3.14Å; R2788-E2792 VanDerWaalsContact O-N 3.1Å; S2789-E2792 PolarHBondContact O-N 3.09Å; V2790-E2792 PolarHBondContact O-N 3.36Å; E2792-K2795 WeakPolarHBondContact O-CB 3.3Å; E2792-K2795 PolarHBondContact O-N 3.13Å; E2792-S2796 WeakPolarHBondContact O-CA 3.31Å; E2792-S2796 WeakPolarHBondContact O-CB 3.36Å; E2792-S2796 PolarHBondContact O-N 3.02Å; E2792-S2796 VanDerWaalsContact O-N 3.1Å
2793K81Confident79.9Confident129.2 Ų129.276.9 Ų76.956%0.56240%0.396SS*.Hα-helixtrans-64.2-49.4173.4-75.4179.1-178.2-179.50111.5S2789 V2790 T2791 K2795 S2796 E2797S2789-K2793 VanDerWaalsContact O-CB 3.27Å; S2789-K2793 WeakPolarHBondContact O-CB 3Å; S2789-K2793 WeakPolarHBondContact O-CG 3.4Å; S2789-K2793 PolarHBondContact O-N 3.3Å; S2789-K2793 VanDerWaalsContact O-N 3.09Å; V2790-K2793 PolarHBondContact O-N 3.1Å; T2791-K2793 VanDerWaalsContact C-N 3.34Å; T2791-K2793 PolarHBondContact O-N 3.38Å; K2793-K2795 VanDerWaalsContact C-N 3.26Å; K2793-K2795 PolarHBondContact O-N 3.14Å; K2793-S2796 CarbonylContact O-C 3.49Å; K2793-S2796 WeakPolarHBondContact O-CB 3.39Å; K2793-S2796 PolarHBondContact O-N 3.17Å; K2793-S2796 VanDerWaalsContact O-N 3.12Å; K2793-S2796 PolarHBondContact O-OG 2.87Å; K2793-E2797 WeakPolarHBondContact O-CA 3.09Å; K2793-E2797 WeakPolarHBondContact O-CB 3.24Å; K2793-E2797 VanDerWaalsContact O-CG 3.3Å; K2793-E2797 WeakPolarHBondContact O-CG 3.41Å; K2793-E2797 PolarHBondContact O-N 3.18Å
2794L79.4Confident80Confident50.2 Ų50.274.8 Ų74.826%0.26339%0.39SS..Hα-helixtrans-60.6-34.3176.6-74.1172.1000111.9V2790 T2791 E2797 A2798 T3048 L3049V2790-L2794 HydrophobicContact CG1-CD1 4.04Å; V2790-L2794 HydrophobicContact CG1-CG 4.4Å; V2790-L2794 VanDerWaalsContact O-CB 3.25Å; V2790-L2794 WeakPolarHBondContact O-CB 3.29Å; V2790-L2794 VanDerWaalsContact O-CG 3.31Å; V2790-L2794 WeakPolarHBondContact O-CG 3.31Å; V2790-L2794 PolarHBondContact O-N 3.11Å; T2791-L2794 CarbonylContact O-C 3.59Å; T2791-L2794 PolarHBondContact O-N 2.91Å; L2794-E2797 PolarHBondContact O-N 3.3Å; L2794-A2798 WeakPolarHBondContact O-CA 3.26Å; L2794-A2798 VanDerWaalsContact O-CB 3.27Å; L2794-A2798 WeakPolarHBondContact O-CB 3.33Å; L2794-A2798 PolarHBondContact O-N 3.06Å; L2794-T3048 HydrophobicContact CD1-CG2 4.09Å; L2794-L3049 HydrophobicContact CB-CD1 4.39Å; L2794-L3049 HydrophobicContact CB-CD2 3.79Å; L2794-L3049 HydrophobicContact CB-CG 3.92Å
2795K78.3Confident80.1Confident101 Ų10173.9 Ų73.944%0.43939%0.385SS..Hα-helixtrans-66.3-45173.7-133.5175.6-174.3-1800111.7T2791 E2792 K2793 E2797 A2798 D2799 L3049 E3053T2791-K2795 WeakPolarHBondContact O-CA 3.35Å; T2791-K2795 WeakPolarHBondContact O-CB 3.33Å; T2791-K2795 WeakPolarHBondContact O-CG 3.42Å; T2791-K2795 PolarHBondContact O-N 3.14Å; E2792-K2795 WeakPolarHBondContact O-CB 3.3Å; E2792-K2795 PolarHBondContact O-N 3.13Å; K2793-K2795 VanDerWaalsContact C-N 3.26Å; K2793-K2795 PolarHBondContact O-N 3.14Å; K2795-E2797 VanDerWaalsContact C-N 3.3Å; K2795-E2797 PolarHBondContact O-N 3.14Å; K2795-A2798 CarbonylContact O-C 3.49Å; K2795-A2798 PolarHBondContact O-N 3.1Å; K2795-D2799 WeakPolarHBondContact O-CA 3.31Å; K2795-D2799 WeakPolarHBondContact O-CB 3.32Å; K2795-D2799 VanDerWaalsContact O-CG 3.3Å; K2795-D2799 PolarHBondContact O-N 3.18Å; K2795-L3049 HydrophobicContact CB-CD1 4.4Å; K2795-L3049 HydrophobicContact CB-CD2 3.96Å; K2795-L3049 HydrophobicContact CG-CD1 3.83Å; K2795-L3049 HydrophobicContact CG-CD2 3.94Å; K2795-L3049 HydrophobicContact CG-CG 4.18Å; K2795-E3053 WeakPolarHBondContact CE-OE1 3.3Å; K2795-E3053 IonicContact NZ-OE1 3.58Å; K2795-E3053 PolarHBondContact NZ-OE1 3.09Å
2796S79.6Confident80Confident76.8 Ų76.875.1 Ų75.154%0.53739%0.39SS..Hα-helixtrans-64.8-34.5176.2145.70000112.6E2792 K2793 H2800E2792-S2796 WeakPolarHBondContact O-CA 3.31Å; E2792-S2796 WeakPolarHBondContact O-CB 3.36Å; E2792-S2796 PolarHBondContact O-N 3.02Å; E2792-S2796 VanDerWaalsContact O-N 3.1Å; K2793-S2796 CarbonylContact O-C 3.49Å; K2793-S2796 WeakPolarHBondContact O-CB 3.39Å; K2793-S2796 PolarHBondContact O-N 3.17Å; K2793-S2796 VanDerWaalsContact O-N 3.12Å; K2793-S2796 PolarHBondContact O-OG 2.87Å; S2796-H2800 WeakPolarHBondContact O-CA 3.13Å; S2796-H2800 WeakPolarHBondContact O-CB 3.41Å; S2796-H2800 PolarHBondContact O-N 3.2Å
2797E78.5Confident80Confident101.4 Ų101.478.3 Ų78.347%0.47440%0.397SS..Hα-helixtrans-74.7-41.2176.2-73.2175.7178.400111.3K2793 L2794 K2795 D2799 H2800 N2801K2793-E2797 WeakPolarHBondContact O-CA 3.09Å; K2793-E2797 WeakPolarHBondContact O-CB 3.24Å; K2793-E2797 VanDerWaalsContact O-CG 3.3Å; K2793-E2797 WeakPolarHBondContact O-CG 3.41Å; K2793-E2797 PolarHBondContact O-N 3.18Å; L2794-E2797 PolarHBondContact O-N 3.3Å; K2795-E2797 VanDerWaalsContact C-N 3.3Å; K2795-E2797 PolarHBondContact O-N 3.14Å; E2797-D2799 VanDerWaalsContact C-N 3.32Å; E2797-D2799 PolarHBondContact O-N 3.23Å; E2797-H2800 WeakPolarHBondContact O-CB 3.34Å; E2797-H2800 PolarHBondContact O-N 3.15Å; E2797-H2800 VanDerWaalsContact O-N 3.1Å; E2797-N2801 WeakPolarHBondContact O-CB 3.33Å; E2797-N2801 VanDerWaalsContact O-CG 3.24Å; E2797-N2801 PolarHBondContact O-N 3.19Å; E2797-N2801 PolarHBondContact O-ND2 3.49Å
2798A78.1Confident80.1Confident20.4 Ų20.478.8 Ų78.817%0.16939%0.393CS..Hα-helixtrans-65.8-38.3174.500000111.8L2794 K2795 H2800 N2801 S2802 L3042 L3049L2794-A2798 WeakPolarHBondContact O-CA 3.26Å; L2794-A2798 VanDerWaalsContact O-CB 3.27Å; L2794-A2798 WeakPolarHBondContact O-CB 3.33Å; L2794-A2798 PolarHBondContact O-N 3.06Å; K2795-A2798 CarbonylContact O-C 3.49Å; K2795-A2798 PolarHBondContact O-N 3.1Å; A2798-H2800 VanDerWaalsContact C-N 3.33Å; A2798-H2800 PolarHBondContact O-N 3.23Å; A2798-N2801 PolarHBondContact O-N 2.91Å; A2798-S2802 WeakPolarHBondContact O-CB 3.36Å; A2798-S2802 PolarHBondContact O-N 3.19Å; A2798-L3042 WeakPolarHBondContact O-CD1 3.43Å; A2798-L3049 HydrophobicContact CB-CD1 3.57Å; A2798-L3049 VanDerWaalsContact CB-CD1 3.43Å
2799D77.5Confident80Confident96.6 Ų96.677.9 Ų77.952%0.51739%0.393SS..Hα-helixtrans-68.5-37.2174.6-75.6-22.5000111.2K2795 E2797 S2802 N2803K2795-D2799 WeakPolarHBondContact O-CA 3.31Å; K2795-D2799 WeakPolarHBondContact O-CB 3.32Å; K2795-D2799 VanDerWaalsContact O-CG 3.3Å; K2795-D2799 PolarHBondContact O-N 3.18Å; E2797-D2799 VanDerWaalsContact C-N 3.32Å; E2797-D2799 PolarHBondContact O-N 3.23Å; D2799-S2802 PolarHBondContact O-N 3.48Å; D2799-N2803 WeakPolarHBondContact O-CB 3.16Å; D2799-N2803 PolarHBondContact O-N 3.12Å; D2799-N2803 VanDerWaalsContact O-N 3.1Å; D2799-N2803 PolarHBondContact O-ND2 2.98Å
2800H80.2Confident80Confident122.2 Ų122.283.1 Ų83.157%0.56641%0.41SS*.Hα-helixtrans-67.5-49173.6-176.578.1000111.5S2796 E2797 A2798 S2802 N2803 L2804S2796-H2800 WeakPolarHBondContact O-CA 3.13Å; S2796-H2800 WeakPolarHBondContact O-CB 3.41Å; S2796-H2800 PolarHBondContact O-N 3.2Å; E2797-H2800 WeakPolarHBondContact O-CB 3.34Å; E2797-H2800 PolarHBondContact O-N 3.15Å; E2797-H2800 VanDerWaalsContact O-N 3.1Å; A2798-H2800 VanDerWaalsContact C-N 3.33Å; A2798-H2800 PolarHBondContact O-N 3.23Å; H2800-S2802 VanDerWaalsContact C-N 3.32Å; H2800-S2802 PolarHBondContact O-N 3.14Å; H2800-N2803 PolarHBondContact O-N 3.1Å; H2800-L2804 WeakPolarHBondContact O-CB 3.13Å; H2800-L2804 PolarHBondContact O-N 3.05Å; H2800-L2804 VanDerWaalsContact O-N 3.11Å
2801N79.8Confident80.1Confident32.4 Ų32.484.6 Ų84.617%0.17341%0.412CS..Hα-helixtrans-65.1-36.4-179.9-73.3-19.9000111.8E2797 A2798 N2803 L2804 L2805 I3038 L3042 E3045E2797-N2801 WeakPolarHBondContact O-CB 3.33Å; E2797-N2801 VanDerWaalsContact O-CG 3.24Å; E2797-N2801 PolarHBondContact O-N 3.19Å; E2797-N2801 PolarHBondContact O-ND2 3.49Å; A2798-N2801 PolarHBondContact O-N 2.91Å; N2801-N2803 VanDerWaalsContact C-N 3.34Å; N2801-N2803 PolarHBondContact O-N 3.18Å; N2801-L2804 PolarHBondContact O-N 3.17Å; N2801-L2805 WeakPolarHBondContact O-CB 3.35Å; N2801-L2805 PolarHBondContact O-N 3.08Å; N2801-I3038 HydrophobicContact CB-CG2 4.45Å; N2801-L3042 VanDerWaalsContact C-CD1 3.45Å; N2801-L3042 HydrophobicContact CB-CD1 3.63Å; N2801-L3042 VanDerWaalsContact CB-CD1 3.46Å; N2801-E3045 VanDerWaalsContact ND2-CD 3.29Å; N2801-E3045 PolarHBondContact ND2-OE1 3.04Å; N2801-E3045 VanDerWaalsContact ND2-OE1 3.17Å; N2801-E3045 PolarHBondContact ND2-OE2 3.01Å
2802S80.9Confident80Confident42.6 Ų42.683.6 Ų83.630%0.29841%0.406SS..Hα-helixtrans-62.3-46.6175.1-179.10000111.1A2798 D2799 H2800 L2804 L2805 I2806 L3042A2798-S2802 WeakPolarHBondContact O-CB 3.36Å; A2798-S2802 PolarHBondContact O-N 3.19Å; D2799-S2802 PolarHBondContact O-N 3.48Å; H2800-S2802 VanDerWaalsContact C-N 3.32Å; H2800-S2802 PolarHBondContact O-N 3.14Å; S2802-L2804 VanDerWaalsContact C-N 3.33Å; S2802-L2804 PolarHBondContact O-N 3.05Å; S2802-L2805 WeakPolarHBondContact O-CB 3.28Å; S2802-L2805 PolarHBondContact O-N 3.18Å; S2802-I2806 VanDerWaalsContact O-CG1 3.31Å; S2802-I2806 WeakPolarHBondContact O-CG1 3.42Å; S2802-I2806 PolarHBondContact O-N 3.14Å; S2802-I2806 VanDerWaalsContact O-N 3.12Å; S2802-L3042 VanDerWaalsContact N-CD1 3.3Å
2803N83.4Confident79.9Confident95.4 Ų95.481.9 Ų81.951%0.5140%0.401SS..Hα-helixtrans-64-37.2175.1-76.5-51.3000112.6D2799 H2800 N2801 I2806 R2807D2799-N2803 WeakPolarHBondContact O-CB 3.16Å; D2799-N2803 PolarHBondContact O-N 3.12Å; D2799-N2803 VanDerWaalsContact O-N 3.1Å; D2799-N2803 PolarHBondContact O-ND2 2.98Å; H2800-N2803 PolarHBondContact O-N 3.1Å; N2801-N2803 VanDerWaalsContact C-N 3.34Å; N2801-N2803 PolarHBondContact O-N 3.18Å; N2803-I2806 PolarHBondContact O-N 2.8Å; N2803-R2807 WeakPolarHBondContact O-CB 3.28Å; N2803-R2807 WeakPolarHBondContact O-CG 3.38Å; N2803-R2807 PolarHBondContact O-N 3.25Å; N2803-R2807 VanDerWaalsContact O-N 3.14Å
2804L83.4Confident79.8Confident59.2 Ų59.277.1 Ų77.131%0.3139%0.388SS..Hα-helixtrans-67.1-41.9176.4-173.664.7000111.7H2800 N2801 S2802 I2806 R2807 K2808 I3038H2800-L2804 WeakPolarHBondContact O-CB 3.13Å; H2800-L2804 PolarHBondContact O-N 3.05Å; H2800-L2804 VanDerWaalsContact O-N 3.11Å; N2801-L2804 PolarHBondContact O-N 3.17Å; S2802-L2804 VanDerWaalsContact C-N 3.33Å; S2802-L2804 PolarHBondContact O-N 3.05Å; L2804-I2806 PolarHBondContact O-N 3.35Å; L2804-R2807 PolarHBondContact O-N 3.1Å; L2804-K2808 HydrophobicContact CD1-CG 4.47Å; L2804-K2808 HydrophobicContact CG-CG 4.46Å; L2804-K2808 WeakPolarHBondContact O-CB 3.39Å; L2804-K2808 VanDerWaalsContact O-CG 3.27Å; L2804-K2808 WeakPolarHBondContact O-CG 3.28Å; L2804-K2808 PolarHBondContact O-N 3.05Å; L2804-K2808 VanDerWaalsContact O-N 3.08Å; L2804-I3038 HydrophobicContact CD2-CD1 3.84Å; L2804-I3038 HydrophobicContact CG-CD1 4.07Å
2805L80.7Confident79.6Confident19.2 Ų19.276.7 Ų76.710%0.10139%0.386CS..Hα-helixtrans-59.3-48.8175.6-176.772.6000111N2801 S2802 R2807 K2808 Q2809 A3035 I3038 K3039 L3042N2801-L2805 WeakPolarHBondContact O-CB 3.35Å; N2801-L2805 PolarHBondContact O-N 3.08Å; S2802-L2805 WeakPolarHBondContact O-CB 3.28Å; S2802-L2805 PolarHBondContact O-N 3.18Å; L2805-R2807 VanDerWaalsContact C-N 3.28Å; L2805-R2807 PolarHBondContact O-N 3.12Å; L2805-K2808 PolarHBondContact O-N 3.15Å; L2805-K2808 VanDerWaalsContact O-N 3.15Å; L2805-Q2809 HydrophobicContact CG-CG 4.3Å; L2805-Q2809 VanDerWaalsContact O-CB 3.23Å; L2805-Q2809 WeakPolarHBondContact O-CB 3.33Å; L2805-Q2809 WeakPolarHBondContact O-CG 3.32Å; L2805-Q2809 PolarHBondContact O-N 3.3Å; L2805-A3035 HydrophobicContact CD1-CB 4.2Å; L2805-A3035 WeakPolarHBondContact CD1-O 3.39Å; L2805-I3038 HydrophobicContact CB-CG2 3.95Å; L2805-I3038 HydrophobicContact CD1-CB 4.18Å; L2805-I3038 HydrophobicContact CD1-CG2 4.1Å; L2805-K3039 HydrophobicContact CD1-CB 3.91Å; L2805-K3039 HydrophobicContact CD2-CB 4.13Å; L2805-K3039 HydrophobicContact CD2-CG 4.18Å; L2805-L3042 HydrophobicContact CD2-CD2 4.12Å
2806I80.4Confident79.2Confident99.4 Ų99.475.4 Ų75.451%0.5138%0.383SS..Hα-helixtrans-58.1-41.2178.7-67.8166.7000110.9S2802 N2803 L2804 K2810S2802-I2806 VanDerWaalsContact O-CG1 3.31Å; S2802-I2806 WeakPolarHBondContact O-CG1 3.42Å; S2802-I2806 PolarHBondContact O-N 3.14Å; S2802-I2806 VanDerWaalsContact O-N 3.12Å; N2803-I2806 PolarHBondContact O-N 2.8Å; L2804-I2806 PolarHBondContact O-N 3.35Å; I2806-K2810 VanDerWaalsContact O-CB 3.28Å; I2806-K2810 WeakPolarHBondContact O-CB 3.27Å; I2806-K2810 PolarHBondContact O-N 3.29Å; I2806-K2810 VanDerWaalsContact O-N 3.1Å
2807R81.8Confident79Confident178 Ų17878.3 Ų78.367%0.67239%0.388SS*.Hα-helixtrans-64.3-49.6176.2-74179.2-176.4171.92.4112N2803 L2804 L2805 Q2809 K2810 E2811N2803-R2807 WeakPolarHBondContact O-CB 3.28Å; N2803-R2807 WeakPolarHBondContact O-CG 3.38Å; N2803-R2807 PolarHBondContact O-N 3.25Å; N2803-R2807 VanDerWaalsContact O-N 3.14Å; L2804-R2807 PolarHBondContact O-N 3.1Å; L2805-R2807 VanDerWaalsContact C-N 3.28Å; L2805-R2807 PolarHBondContact O-N 3.12Å; R2807-Q2809 VanDerWaalsContact C-N 3.33Å; R2807-Q2809 PolarHBondContact O-N 3.09Å; R2807-K2810 PolarHBondContact O-N 3.08Å; R2807-E2811 WeakPolarHBondContact O-CB 3.26Å; R2807-E2811 WeakPolarHBondContact O-CG 3.44Å; R2807-E2811 PolarHBondContact O-N 3.23Å; R2807-E2811 VanDerWaalsContact O-N 3.12Å
2808K81.5Confident78.8Confident46.2 Ų46.278 Ų7820%0.20139%0.387CS..Hα-helixtrans-64.9-38.2-178.9-73.1-75.3-177.4167.60112.4L2804 L2805 E2811 A2812 L3031 E3034 A3035 I3038L2804-K2808 HydrophobicContact CD1-CG 4.47Å; L2804-K2808 HydrophobicContact CG-CG 4.46Å; L2804-K2808 WeakPolarHBondContact O-CB 3.39Å; L2804-K2808 VanDerWaalsContact O-CG 3.27Å; L2804-K2808 WeakPolarHBondContact O-CG 3.28Å; L2804-K2808 PolarHBondContact O-N 3.05Å; L2804-K2808 VanDerWaalsContact O-N 3.08Å; L2805-K2808 PolarHBondContact O-N 3.15Å; L2805-K2808 VanDerWaalsContact O-N 3.15Å; K2808-E2811 PolarHBondContact O-N 3.16Å; K2808-A2812 WeakPolarHBondContact O-CB 3.38Å; K2808-A2812 PolarHBondContact O-N 3Å; K2808-L3031 HydrophobicContact CD-CD2 3.84Å; K2808-E3034 WeakPolarHBondContact CE-OE2 3.24Å; K2808-E3034 IonicContact NZ-OE2 3.07Å; K2808-E3034 PolarHBondContact NZ-OE2 3.07Å; K2808-A3035 HydrophobicContact CB-CB 4.35Å; K2808-I3038 HydrophobicContact CG-CD1 4.34Å
2809Q77.4Confident78.5Confident88.6 Ų88.677.7 Ų77.741%0.41438%0.382SS..Hα-helixtrans-66.6-44.2175.5-139.2160.42.900111.2L2805 R2807 E2811 A2812 D2813 A3035L2805-Q2809 HydrophobicContact CG-CG 4.3Å; L2805-Q2809 VanDerWaalsContact O-CB 3.23Å; L2805-Q2809 WeakPolarHBondContact O-CB 3.33Å; L2805-Q2809 WeakPolarHBondContact O-CG 3.32Å; L2805-Q2809 PolarHBondContact O-N 3.3Å; R2807-Q2809 VanDerWaalsContact C-N 3.33Å; R2807-Q2809 PolarHBondContact O-N 3.09Å; Q2809-E2811 VanDerWaalsContact C-N 3.31Å; Q2809-E2811 PolarHBondContact O-N 3.01Å; Q2809-A2812 CarbonylContact O-C 3.58Å; Q2809-A2812 WeakPolarHBondContact O-CA 3.43Å; Q2809-A2812 WeakPolarHBondContact O-CB 3.49Å; Q2809-A2812 PolarHBondContact O-N 2.79Å; Q2809-A2812 VanDerWaalsContact O-N 3.13Å; Q2809-D2813 WeakPolarHBondContact O-CB 3.34Å; Q2809-D2813 VanDerWaalsContact O-CG 3.27Å; Q2809-D2813 PolarHBondContact O-N 3.04Å; Q2809-A3035 HydrophobicContact CG-CB 4.42Å
2810K81.3Confident78.4Confident161.8 Ų161.876.6 Ų76.670%0.70338%0.379SS*.Hα-helixtrans-62.9-36.9175.5-169.3177.2-177.6179.50112.7I2806 R2807 G2814I2806-K2810 VanDerWaalsContact O-CB 3.28Å; I2806-K2810 WeakPolarHBondContact O-CB 3.27Å; I2806-K2810 PolarHBondContact O-N 3.29Å; I2806-K2810 VanDerWaalsContact O-N 3.1Å; R2807-K2810 PolarHBondContact O-N 3.08Å; K2810-G2814 PolarHBondContact O-N 3.06Å; K2810-G2814 VanDerWaalsContact O-N 3.07Å
2811E80.5Confident78.1Confident102.4 Ų102.477.4 Ų77.448%0.47938%0.383SS..Hα-helixtrans-66.4-41.9173-108.8174.7-169.500111.5R2807 K2808 Q2809 G2814 M2815 L3031R2807-E2811 WeakPolarHBondContact O-CB 3.26Å; R2807-E2811 WeakPolarHBondContact O-CG 3.44Å; R2807-E2811 PolarHBondContact O-N 3.23Å; R2807-E2811 VanDerWaalsContact O-N 3.12Å; K2808-E2811 PolarHBondContact O-N 3.16Å; Q2809-E2811 VanDerWaalsContact C-N 3.31Å; Q2809-E2811 PolarHBondContact O-N 3.01Å; E2811-G2814 PolarHBondContact O-N 3.03Å; E2811-M2815 WeakPolarHBondContact O-CB 3.27Å; E2811-M2815 VanDerWaalsContact O-CG 3.25Å; E2811-M2815 WeakPolarHBondContact O-CG 3.35Å; E2811-M2815 PolarHBondContact O-N 3.31Å; E2811-L3031 HydrophobicContact CB-CD1 4.21Å; E2811-L3031 HydrophobicContact CG-CD1 4.23Å
2812A76.7Confident77.7Confident5.4 Ų5.477.1 Ų77.15%0.04538%0.384CS..Hα-helixtrans-65.8-41.7176.100000112.5K2808 Q2809 G2814 M2815 L2816 F3028 L3031 T3032K2808-A2812 WeakPolarHBondContact O-CB 3.38Å; K2808-A2812 PolarHBondContact O-N 3Å; Q2809-A2812 CarbonylContact O-C 3.58Å; Q2809-A2812 WeakPolarHBondContact O-CA 3.43Å; Q2809-A2812 WeakPolarHBondContact O-CB 3.49Å; Q2809-A2812 PolarHBondContact O-N 2.79Å; Q2809-A2812 VanDerWaalsContact O-N 3.13Å; A2812-G2814 VanDerWaalsContact C-N 3.33Å; A2812-G2814 PolarHBondContact O-N 3.46Å; A2812-M2815 CarbonylContact O-C 3.56Å; A2812-M2815 WeakPolarHBondContact O-CB 3.49Å; A2812-M2815 PolarHBondContact O-N 3.32Å; A2812-L2816 WeakPolarHBondContact O-CB 3.3Å; A2812-L2816 PolarHBondContact O-N 3.16Å; A2812-L2816 VanDerWaalsContact O-N 3.16Å; A2812-F3028 HydrophobicContact CB-CD2 4.29Å; A2812-F3028 HydrophobicContact CB-CE2 4.15Å; A2812-F3028 VanDerWaalsContact O-CD2 3.23Å; A2812-F3028 WeakPolarHBondContact O-CD2 3.45Å; A2812-F3028 WeakPolarHBondContact O-CE2 3.41Å; A2812-L3031 HydrophobicContact CB-CB 4.29Å; A2812-T3032 HydrophobicContact CB-CG2 4.34Å
2813D76.8Confident77.2Confident91.2 Ų91.277.7 Ų77.749%0.48838%0.383SS..Hα-helixtrans-64.1-42177.3-69.3-22.9000111.1Q2809 M2815 L2816 E2817Q2809-D2813 WeakPolarHBondContact O-CB 3.34Å; Q2809-D2813 VanDerWaalsContact O-CG 3.27Å; Q2809-D2813 PolarHBondContact O-N 3.04Å; D2813-M2815 VanDerWaalsContact C-N 3.33Å; D2813-M2815 PolarHBondContact O-N 3.04Å; D2813-L2816 CarbonylContact O-C 3.53Å; D2813-L2816 WeakPolarHBondContact O-CA 3.48Å; D2813-L2816 WeakPolarHBondContact O-CB 3.35Å; D2813-L2816 PolarHBondContact O-N 3.05Å; D2813-L2816 VanDerWaalsContact O-N 3.16Å; D2813-E2817 PolarHBondContact O-N 3.15Å; D2813-E2817 VanDerWaalsContact O-N 3.12Å
2814G79.3Confident76.6Confident27.8 Ų27.876.6 Ų76.629%0.28738%0.38SS..Hα-helixtrans-62.1-39.917400000112.9K2810 E2811 A2812 L2816 E2817 E2818K2810-G2814 PolarHBondContact O-N 3.06Å; K2810-G2814 VanDerWaalsContact O-N 3.07Å; E2811-G2814 PolarHBondContact O-N 3.03Å; A2812-G2814 VanDerWaalsContact C-N 3.33Å; A2812-G2814 PolarHBondContact O-N 3.46Å; G2814-L2816 VanDerWaalsContact C-N 3.28Å; G2814-L2816 PolarHBondContact O-N 3.3Å; G2814-E2817 PolarHBondContact O-N 3.16Å; G2814-E2818 WeakPolarHBondContact O-CG 3.44Å; G2814-E2818 PolarHBondContact O-N 2.97Å; G2814-E2818 VanDerWaalsContact O-N 3.11Å
2815M74.6Confident75.9Confident42.6 Ų42.676.4 Ų76.421%0.2139%0.386CS..Hα-helixtrans-66.6-33.6174.7-66.7-82.4113.900112.2E2811 A2812 D2813 E2817 E2818 I2819 L3024 F3028 L3031E2811-M2815 WeakPolarHBondContact O-CB 3.27Å; E2811-M2815 VanDerWaalsContact O-CG 3.25Å; E2811-M2815 WeakPolarHBondContact O-CG 3.35Å; E2811-M2815 PolarHBondContact O-N 3.31Å; A2812-M2815 CarbonylContact O-C 3.56Å; A2812-M2815 WeakPolarHBondContact O-CB 3.49Å; A2812-M2815 PolarHBondContact O-N 3.32Å; D2813-M2815 VanDerWaalsContact C-N 3.33Å; D2813-M2815 PolarHBondContact O-N 3.04Å; M2815-E2817 VanDerWaalsContact C-N 3.33Å; M2815-E2818 VanDerWaalsContact CE-OE2 3.27Å; M2815-E2818 WeakPolarHBondContact CE-OE2 3.31Å; M2815-E2818 PolarHBondContact O-N 3.1Å; M2815-I2819 WeakPolarHBondContact O-CB 3.35Å; M2815-I2819 VanDerWaalsContact O-CD1 3.31Å; M2815-I2819 WeakPolarHBondContact O-CD1 3.27Å; M2815-I2819 VanDerWaalsContact O-CG1 3.27Å; M2815-I2819 WeakPolarHBondContact O-CG1 3.36Å; M2815-I2819 PolarHBondContact O-N 3.07Å; M2815-L3024 HydrophobicContact CE-CD2 4.19Å; M2815-L3024 HydrophobicContact SD-CD2 3.71Å; M2815-L3024 VanDerWaalsContact SD-CD2 3.56Å; M2815-F3028 HydrophobicContact CB-CD2 4.41Å; M2815-L3031 HydrophobicContact CG-CD1 4.11Å
2816L71.7Confident75.4Confident74.4 Ų74.476.1 Ų76.139%0.3939%0.387SS..Hα-helixtrans-66.5-41.1176.1-131.5161.9000111.5A2812 D2813 G2814 E2818 I2819 T2820 F3028A2812-L2816 WeakPolarHBondContact O-CB 3.3Å; A2812-L2816 PolarHBondContact O-N 3.16Å; A2812-L2816 VanDerWaalsContact O-N 3.16Å; D2813-L2816 CarbonylContact O-C 3.53Å; D2813-L2816 WeakPolarHBondContact O-CA 3.48Å; D2813-L2816 WeakPolarHBondContact O-CB 3.35Å; D2813-L2816 PolarHBondContact O-N 3.05Å; D2813-L2816 VanDerWaalsContact O-N 3.16Å; G2814-L2816 VanDerWaalsContact C-N 3.28Å; G2814-L2816 PolarHBondContact O-N 3.3Å; L2816-E2818 VanDerWaalsContact C-N 3.35Å; L2816-E2818 PolarHBondContact O-N 3.42Å; L2816-I2819 CarbonylContact O-C 3.54Å; L2816-I2819 PolarHBondContact O-N 2.96Å; L2816-T2820 WeakPolarHBondContact CD2-OG1 3.31Å; L2816-T2820 WeakPolarHBondContact O-CB 3.27Å; L2816-T2820 PolarHBondContact O-N 3.11Å; L2816-T2820 PolarHBondContact O-OG1 3.09Å; L2816-F3028 HydrophobicContact CB-CD2 4.31Å; L2816-F3028 HydrophobicContact CB-CE2 3.92Å; L2816-F3028 HydrophobicContact CD1-CE1 4.48Å; L2816-F3028 HydrophobicContact CD1-CE2 3.7Å; L2816-F3028 HydrophobicContact CD1-CZ 3.72Å; L2816-F3028 VanDerWaalsContact CD1-CZ 3.48Å; L2816-F3028 HydrophobicContact CD2-CD2 4.4Å; L2816-F3028 HydrophobicContact CD2-CE1 4.2Å; L2816-F3028 HydrophobicContact CD2-CE2 3.89Å; L2816-F3028 HydrophobicContact CD2-CZ 3.72Å; L2816-F3028 HydrophobicContact CG-CD2 4.17Å; L2816-F3028 HydrophobicContact CG-CE2 3.73Å; L2816-F3028 VanDerWaalsContact CG-CE2 3.42Å; L2816-F3028 HydrophobicContact CG-CZ 3.76Å
2817E75Confident74.9Confident137.2 Ų137.275.9 Ų75.964%0.64139%0.387SS*.Hα-helixtrans-59.4-48.3173.4-73.2-177.3167.500110.7D2813 G2814 M2815 I2819 T2820 E2821D2813-E2817 PolarHBondContact O-N 3.15Å; D2813-E2817 VanDerWaalsContact O-N 3.12Å; G2814-E2817 PolarHBondContact O-N 3.16Å; M2815-E2817 VanDerWaalsContact C-N 3.33Å; E2817-I2819 VanDerWaalsContact C-N 3.33Å; E2817-I2819 PolarHBondContact O-N 3.23Å; E2817-T2820 CarbonylContact O-C 3.34Å; E2817-T2820 WeakPolarHBondContact O-CA 3.32Å; E2817-T2820 WeakPolarHBondContact O-CB 3.24Å; E2817-T2820 PolarHBondContact O-N 2.93Å; E2817-E2821 WeakPolarHBondContact O-CB 3.36Å; E2817-E2821 WeakPolarHBondContact O-CG 3.4Å; E2817-E2821 PolarHBondContact O-N 3.09Å
2818E74.6Confident74.4Confident95 Ų9572.7 Ų72.744%0.44438%0.383SS..Hα-helixtrans-60.7-41.3176.8-71.6-177.9-17100112.9G2814 M2815 L2816 T2820 E2821 S2822 L3024G2814-E2818 WeakPolarHBondContact O-CG 3.44Å; G2814-E2818 PolarHBondContact O-N 2.97Å; G2814-E2818 VanDerWaalsContact O-N 3.11Å; M2815-E2818 VanDerWaalsContact CE-OE2 3.27Å; M2815-E2818 WeakPolarHBondContact CE-OE2 3.31Å; M2815-E2818 PolarHBondContact O-N 3.1Å; L2816-E2818 VanDerWaalsContact C-N 3.35Å; L2816-E2818 PolarHBondContact O-N 3.42Å; E2818-T2820 VanDerWaalsContact C-N 3.32Å; E2818-T2820 PolarHBondContact O-N 2.89Å; E2818-E2821 PolarHBondContact O-N 2.95Å; E2818-S2822 WeakPolarHBondContact O-CB 3.33Å; E2818-S2822 PolarHBondContact O-N 3.19Å; E2818-L3024 HydrophobicContact CB-CD1 4.34Å
2819I71.3Confident73.9Confident13.4 Ų13.474.5 Ų74.57%0.06939%0.392CS..Hα-helixtrans-64.5-41175.5-69.6164.9000110.6M2815 L2816 E2817 S2822 I2823 L3024 R3025 F3028M2815-I2819 WeakPolarHBondContact O-CB 3.35Å; M2815-I2819 VanDerWaalsContact O-CD1 3.31Å; M2815-I2819 WeakPolarHBondContact O-CD1 3.27Å; M2815-I2819 VanDerWaalsContact O-CG1 3.27Å; M2815-I2819 WeakPolarHBondContact O-CG1 3.36Å; M2815-I2819 PolarHBondContact O-N 3.07Å; L2816-I2819 CarbonylContact O-C 3.54Å; L2816-I2819 PolarHBondContact O-N 2.96Å; E2817-I2819 VanDerWaalsContact C-N 3.33Å; E2817-I2819 PolarHBondContact O-N 3.23Å; I2819-S2822 PolarHBondContact O-N 2.87Å; I2819-S2822 PolarHBondContact O-OG 2.87Å; I2819-I2823 HydrophobicContact CG2-CD1 3.54Å; I2819-I2823 VanDerWaalsContact CG2-CD1 3.49Å; I2819-I2823 HydrophobicContact CG2-CG1 4.27Å; I2819-I2823 WeakPolarHBondContact O-CB 3.41Å; I2819-I2823 WeakPolarHBondContact O-CD1 3.43Å; I2819-I2823 VanDerWaalsContact O-CG1 3.25Å; I2819-I2823 WeakPolarHBondContact O-CG1 3.36Å; I2819-I2823 PolarHBondContact O-N 3.27Å; I2819-L3024 HydrophobicContact CD1-CB 3.96Å; I2819-L3024 HydrophobicContact CG1-CB 3.56Å; I2819-L3024 HydrophobicContact CG1-CD1 4.29Å; I2819-L3024 HydrophobicContact CG1-CG 4.37Å; I2819-R3025 HydrophobicContact CD1-CG 4.28Å; I2819-R3025 HydrophobicContact CG2-CG 4.4Å; I2819-F3028 HydrophobicContact CD1-CB 3.94Å; I2819-F3028 HydrophobicContact CD1-CG 4.23Å
2820T74.5Confident73.6Confident73.2 Ų73.275.1 Ų75.145%0.44939%0.394SS..Hα-helixtrans-69.3-41.8-178-51.40000111L2816 E2817 E2818 I2823 T2824L2816-T2820 WeakPolarHBondContact CD2-OG1 3.31Å; L2816-T2820 WeakPolarHBondContact O-CB 3.27Å; L2816-T2820 PolarHBondContact O-N 3.11Å; L2816-T2820 PolarHBondContact O-OG1 3.09Å; E2817-T2820 CarbonylContact O-C 3.34Å; E2817-T2820 WeakPolarHBondContact O-CA 3.32Å; E2817-T2820 WeakPolarHBondContact O-CB 3.24Å; E2817-T2820 PolarHBondContact O-N 2.93Å; E2818-T2820 VanDerWaalsContact C-N 3.32Å; E2818-T2820 PolarHBondContact O-N 2.89Å; T2820-I2823 PolarHBondContact O-N 3.08Å; T2820-T2824 HydrophobicContact CG2-CG2 4.42Å; T2820-T2824 WeakPolarHBondContact O-CB 3.37Å; T2820-T2824 VanDerWaalsContact O-CG2 3.26Å; T2820-T2824 WeakPolarHBondContact O-CG2 3.36Å; T2820-T2824 PolarHBondContact O-N 3.06Å; T2820-T2824 VanDerWaalsContact O-N 3.09Å; T2820-T2824 PolarHBondContact O-OG1 3.2Å
2821E74.5Confident73.3Confident139 Ų13970.9 Ų70.965%0.6538%0.384SS*.Hα-helixtrans-61.6-44.4172.3-74.1-171.6165.900111.5E2817 E2818 I2823 T2824 A2825E2817-E2821 WeakPolarHBondContact O-CB 3.36Å; E2817-E2821 WeakPolarHBondContact O-CG 3.4Å; E2817-E2821 PolarHBondContact O-N 3.09Å; E2818-E2821 PolarHBondContact O-N 2.95Å; E2821-I2823 PolarHBondContact O-N 3Å; E2821-T2824 WeakPolarHBondContact CA-OG1 3.46Å; E2821-T2824 PolarHBondContact O-N 3.02Å; E2821-T2824 PolarHBondContact O-OG1 3.1Å; E2821-T2824 VanDerWaalsContact O-OG1 3.1Å; E2821-A2825 VanDerWaalsContact O-CB 3.28Å; E2821-A2825 WeakPolarHBondContact O-CB 3.34Å; E2821-A2825 PolarHBondContact O-N 3.06Å
2822S71.4Confident72.9Confident27.6 Ų27.670.7 Ų70.719%0.19339%0.387CS..Hα-helixtrans-64-43.1177.91690000112.6E2818 I2819 A2825 A2826E2818-S2822 WeakPolarHBondContact O-CB 3.33Å; E2818-S2822 PolarHBondContact O-N 3.19Å; I2819-S2822 PolarHBondContact O-N 2.87Å; I2819-S2822 PolarHBondContact O-OG 2.87Å; S2822-A2825 PolarHBondContact O-N 2.87Å; S2822-A2826 VanDerWaalsContact O-CB 3.27Å; S2822-A2826 WeakPolarHBondContact O-CB 3.39Å; S2822-A2826 PolarHBondContact O-N 3.18Å; S2822-A2826 VanDerWaalsContact O-N 3.14Å
2823I71Confident72.7Confident54.6 Ų54.671.5 Ų71.528%0.2839%0.39SS..Hα-helixtrans-67.6-42.3178.9-69.6168.3000111.4I2819 T2820 E2821 A2826 N2827 R3025I2819-I2823 HydrophobicContact CG2-CD1 3.54Å; I2819-I2823 VanDerWaalsContact CG2-CD1 3.49Å; I2819-I2823 HydrophobicContact CG2-CG1 4.27Å; I2819-I2823 WeakPolarHBondContact O-CB 3.41Å; I2819-I2823 WeakPolarHBondContact O-CD1 3.43Å; I2819-I2823 VanDerWaalsContact O-CG1 3.25Å; I2819-I2823 WeakPolarHBondContact O-CG1 3.36Å; I2819-I2823 PolarHBondContact O-N 3.27Å; T2820-I2823 PolarHBondContact O-N 3.08Å; E2821-I2823 PolarHBondContact O-N 3Å; I2823-A2826 PolarHBondContact O-N 2.99Å; I2823-N2827 VanDerWaalsContact O-CB 3.29Å; I2823-N2827 WeakPolarHBondContact O-CB 3.3Å; I2823-N2827 VanDerWaalsContact O-CG 3.31Å; I2823-N2827 PolarHBondContact O-N 3.29Å; I2823-N2827 PolarHBondContact O-ND2 3.12Å; I2823-R3025 VanDerWaalsContact CD1-NH2 3.35Å
2824T70.8Confident72.6Confident73.2 Ų73.271.9 Ų71.945%0.44939%0.389SS..Hα-helixtrans-68-40.1178.850.20000111.5T2820 E2821 N2827 N2828T2820-T2824 HydrophobicContact CG2-CG2 4.42Å; T2820-T2824 WeakPolarHBondContact O-CB 3.37Å; T2820-T2824 VanDerWaalsContact O-CG2 3.26Å; T2820-T2824 WeakPolarHBondContact O-CG2 3.36Å; T2820-T2824 PolarHBondContact O-N 3.06Å; T2820-T2824 VanDerWaalsContact O-N 3.09Å; T2820-T2824 PolarHBondContact O-OG1 3.2Å; E2821-T2824 WeakPolarHBondContact CA-OG1 3.46Å; E2821-T2824 PolarHBondContact O-N 3.02Å; E2821-T2824 PolarHBondContact O-OG1 3.1Å; E2821-T2824 VanDerWaalsContact O-OG1 3.1Å; T2824-N2827 PolarHBondContact O-N 3.01Å; T2824-N2828 WeakPolarHBondContact O-CB 2.93Å; T2824-N2828 VanDerWaalsContact O-CG 3.3Å; T2824-N2828 PolarHBondContact O-N 2.94Å; T2824-N2828 VanDerWaalsContact O-N 3.16Å; T2824-N2828 PolarHBondContact O-ND2 3.14Å
2825A68.3Low72.5Confident53.8 Ų53.873.2 Ų73.245%0.44540%0.397SS..Hα-helixtrans-61.7-44.7172.800000112.1E2821 S2822 N2827 N2828 Q2829E2821-A2825 VanDerWaalsContact O-CB 3.28Å; E2821-A2825 WeakPolarHBondContact O-CB 3.34Å; E2821-A2825 PolarHBondContact O-N 3.06Å; S2822-A2825 PolarHBondContact O-N 2.87Å; A2825-N2827 PolarHBondContact O-N 2.85Å; A2825-N2828 PolarHBondContact O-N 3.33Å; A2825-Q2829 WeakPolarHBondContact O-CG 3.4Å; A2825-Q2829 PolarHBondContact O-N 3.26Å; A2825-Q2829 VanDerWaalsContact O-N 3.11Å
2826A69.2Low72.6Confident13.6 Ų13.672.8 Ų72.811%0.11240%0.395CS..Hα-helixtrans-64.3-43.3177.700000112.4S2822 I2823 N2828 Q2829 K2830 L3014 A3017S2822-A2826 VanDerWaalsContact O-CB 3.27Å; S2822-A2826 WeakPolarHBondContact O-CB 3.39Å; S2822-A2826 PolarHBondContact O-N 3.18Å; S2822-A2826 VanDerWaalsContact O-N 3.14Å; I2823-A2826 PolarHBondContact O-N 2.99Å; A2826-N2828 VanDerWaalsContact C-N 3.34Å; A2826-N2828 PolarHBondContact O-N 2.83Å; A2826-Q2829 PolarHBondContact O-N 3Å; A2826-K2830 WeakPolarHBondContact O-CB 3.4Å; A2826-K2830 PolarHBondContact O-N 3.14Å; A2826-K2830 VanDerWaalsContact O-N 3.11Å; A2826-L3014 HydrophobicContact CB-CD2 4.13Å; A2826-L3014 WeakPolarHBondContact O-CD2 3.26Å; A2826-A3017 HydrophobicContact CB-CB 4.42Å
2827N71.7Confident72.9Confident95.6 Ų95.673.4 Ų73.451%0.51140%0.395SS..Hα-helixtrans-63.8-39.8177.8-85.1-27.3000112.7I2823 T2824 A2825 Q2829 K2830 S2831I2823-N2827 VanDerWaalsContact O-CB 3.29Å; I2823-N2827 WeakPolarHBondContact O-CB 3.3Å; I2823-N2827 VanDerWaalsContact O-CG 3.31Å; I2823-N2827 PolarHBondContact O-N 3.29Å; I2823-N2827 PolarHBondContact O-ND2 3.12Å; T2824-N2827 PolarHBondContact O-N 3.01Å; A2825-N2827 PolarHBondContact O-N 2.85Å; N2827-Q2829 VanDerWaalsContact C-N 3.35Å; N2827-Q2829 PolarHBondContact O-N 2.84Å; N2827-K2830 PolarHBondContact O-N 3.24Å; N2827-S2831 PolarHBondContact O-N 3.15Å; N2827-S2831 VanDerWaalsContact O-N 3.13Å
2828N70.9Confident73.1Confident109.2 Ų109.275.4 Ų75.458%0.58440%0.396SS*.Hα-helixtrans-63.4-42175.2-76.8-26.8000111.8T2824 A2825 A2826 K2830 S2831 N2832T2824-N2828 WeakPolarHBondContact O-CB 2.93Å; T2824-N2828 VanDerWaalsContact O-CG 3.3Å; T2824-N2828 PolarHBondContact O-N 2.94Å; T2824-N2828 VanDerWaalsContact O-N 3.16Å; T2824-N2828 PolarHBondContact O-ND2 3.14Å; A2825-N2828 PolarHBondContact O-N 3.33Å; A2826-N2828 VanDerWaalsContact C-N 3.34Å; A2826-N2828 PolarHBondContact O-N 2.83Å; N2828-K2830 VanDerWaalsContact C-N 3.33Å; N2828-K2830 PolarHBondContact O-N 3.32Å; N2828-S2831 PolarHBondContact O-N 3.26Å; N2828-N2832 WeakPolarHBondContact O-CB 3.42Å; N2828-N2832 VanDerWaalsContact O-CG 3.3Å; N2828-N2832 PolarHBondContact O-N 3.11Å; N2828-N2832 VanDerWaalsContact O-N 3.17Å; N2828-N2832 PolarHBondContact O-ND2 2.82Å
2829Q70.4Confident73.3Confident84.4 Ų84.477.2 Ų77.239%0.39440%0.403SS..Hα-helixtrans-64.8-38175-72.9-158.7-3.700112.5A2825 A2826 N2827 N2832 M2833 I3010 L3014A2825-Q2829 WeakPolarHBondContact O-CG 3.4Å; A2825-Q2829 PolarHBondContact O-N 3.26Å; A2825-Q2829 VanDerWaalsContact O-N 3.11Å; A2826-Q2829 PolarHBondContact O-N 3Å; N2827-Q2829 VanDerWaalsContact C-N 3.35Å; N2827-Q2829 PolarHBondContact O-N 2.84Å; Q2829-N2832 PolarHBondContact O-N 3Å; Q2829-M2833 WeakPolarHBondContact O-CB 3.33Å; Q2829-M2833 PolarHBondContact O-N 3.17Å; Q2829-I3010 HydrophobicContact CB-CG2 4.11Å; Q2829-I3010 WeakPolarHBondContact O-CG2 3.32Å; Q2829-L3014 HydrophobicContact CB-CD1 4.01Å; Q2829-L3014 HydrophobicContact CB-CD2 4.2Å; Q2829-L3014 HydrophobicContact CB-CG 4.42Å
2830K71.8Confident73.7Confident102.6 Ų102.680.3 Ų80.345%0.44641%0.414SS..Hα-helixtrans-64.4-43.4177.6-168.5177178.7179.90112.3A2826 N2827 N2828 N2832 M2833 E2834 L3014A2826-K2830 WeakPolarHBondContact O-CB 3.4Å; A2826-K2830 PolarHBondContact O-N 3.14Å; A2826-K2830 VanDerWaalsContact O-N 3.11Å; N2827-K2830 PolarHBondContact O-N 3.24Å; N2828-K2830 VanDerWaalsContact C-N 3.33Å; N2828-K2830 PolarHBondContact O-N 3.32Å; K2830-N2832 VanDerWaalsContact C-N 3.33Å; K2830-N2832 PolarHBondContact O-N 3.11Å; K2830-M2833 HydrophobicContact CG-CE 4.19Å; K2830-M2833 WeakPolarHBondContact O-CB 3.31Å; K2830-M2833 PolarHBondContact O-N 3.26Å; K2830-E2834 WeakPolarHBondContact O-CG 3.45Å; K2830-E2834 PolarHBondContact O-N 3.05Å; K2830-L3014 HydrophobicContact CB-CD1 4.35Å; K2830-L3014 HydrophobicContact CB-CD2 4.33Å
2831S73.6Confident73.8Confident73 Ų7382.4 Ų82.451%0.5142%0.418SS..Hα-helixtrans-60.7-44174.9-177.10000111.9N2827 N2828 M2833 E2834 A2835N2827-S2831 PolarHBondContact O-N 3.15Å; N2827-S2831 VanDerWaalsContact O-N 3.13Å; N2828-S2831 PolarHBondContact O-N 3.26Å; S2831-M2833 VanDerWaalsContact C-N 3.3Å; S2831-M2833 PolarHBondContact O-N 3.01Å; S2831-E2834 PolarHBondContact O-N 3.29Å; S2831-A2835 PolarHBondContact O-N 3.15Å; S2831-A2835 VanDerWaalsContact O-N 3.11Å
2832N72.5Confident74.1Confident98.8 Ų98.880.7 Ų80.753%0.52841%0.414SS..Hα-helixtrans-62.9-38.3176-72.2-22000112.4N2828 Q2829 K2830 A2835 L2836N2828-N2832 WeakPolarHBondContact O-CB 3.42Å; N2828-N2832 VanDerWaalsContact O-CG 3.3Å; N2828-N2832 PolarHBondContact O-N 3.11Å; N2828-N2832 VanDerWaalsContact O-N 3.17Å; N2828-N2832 PolarHBondContact O-ND2 2.82Å; Q2829-N2832 PolarHBondContact O-N 3Å; K2830-N2832 VanDerWaalsContact C-N 3.33Å; K2830-N2832 PolarHBondContact O-N 3.11Å; N2832-A2835 PolarHBondContact O-N 3.3Å; N2832-L2836 WeakPolarHBondContact O-CG 3.41Å; N2832-L2836 PolarHBondContact O-N 3.25Å; N2832-L2836 VanDerWaalsContact O-N 3.11Å
2833M73.6Confident74.4Confident21.2 Ų21.281.9 Ų81.910%0.10442%0.416CS..Hα-helixtrans-63.2-42.6175.4-175.3-170.54500112.1Q2829 K2830 S2831 A2835 L2836 K2837 I3007 I3010 R3011 L3014Q2829-M2833 WeakPolarHBondContact O-CB 3.33Å; Q2829-M2833 PolarHBondContact O-N 3.17Å; K2830-M2833 HydrophobicContact CG-CE 4.19Å; K2830-M2833 WeakPolarHBondContact O-CB 3.31Å; K2830-M2833 PolarHBondContact O-N 3.26Å; S2831-M2833 VanDerWaalsContact C-N 3.3Å; S2831-M2833 PolarHBondContact O-N 3.01Å; M2833-A2835 VanDerWaalsContact C-N 3.34Å; M2833-L2836 PolarHBondContact O-N 3.07Å; M2833-K2837 HydrophobicContact CG-CD 4.31Å; M2833-K2837 HydrophobicContact CG-CG 4.46Å; M2833-K2837 WeakPolarHBondContact O-CB 3.5Å; M2833-K2837 WeakPolarHBondContact O-CG 3.23Å; M2833-K2837 PolarHBondContact O-N 3.27Å; M2833-K2837 VanDerWaalsContact O-N 3.09Å; M2833-I3007 HydrophobicContact CG-CG2 4.28Å; M2833-I3007 HydrophobicContact SD-CG2 4.42Å; M2833-I3010 HydrophobicContact CB-CG2 3.96Å; M2833-I3010 HydrophobicContact CE-CB 4.43Å; M2833-I3010 HydrophobicContact CE-CG2 3.92Å; M2833-I3010 HydrophobicContact CG-CG2 4.43Å; M2833-R3011 VanDerWaalsContact CE-CA 3.4Å; M2833-R3011 HydrophobicContact CE-CB 3.74Å; M2833-R3011 HydrophobicContact CE-CG 4.24Å; M2833-R3011 HydrophobicContact SD-CB 4.27Å; M2833-L3014 HydrophobicContact CE-CD1 3.82Å; M2833-L3014 HydrophobicContact SD-CD1 4.38Å
2834E73.6Confident74.9Confident99.8 Ų99.883.3 Ų83.347%0.46642%0.424SS..Hα-helixtrans-65.5-39.7178.8-73.3178.7-176.500112.1K2830 S2831 L2836 K2837 R2838K2830-E2834 WeakPolarHBondContact O-CG 3.45Å; K2830-E2834 PolarHBondContact O-N 3.05Å; S2831-E2834 PolarHBondContact O-N 3.29Å; E2834-L2836 VanDerWaalsContact C-N 3.35Å; E2834-L2836 PolarHBondContact O-N 2.87Å; E2834-K2837 PolarHBondContact O-N 3.16Å; E2834-R2838 PolarHBondContact O-N 3.23Å; E2834-R2838 VanDerWaalsContact O-N 3.13Å
2835A78.1Confident75.4Confident54.6 Ų54.685.9 Ų85.945%0.45143%0.431SS..Hα-helixtrans-63-41.4174.900000112.4S2831 N2832 M2833 K2839S2831-A2835 PolarHBondContact O-N 3.15Å; S2831-A2835 VanDerWaalsContact O-N 3.11Å; N2832-A2835 PolarHBondContact O-N 3.3Å; M2833-A2835 VanDerWaalsContact C-N 3.34Å; A2835-K2839 PolarHBondContact O-N 2.97Å
2836L76.1Confident75.9Confident33.8 Ų33.887.3 Ų87.318%0.17743%0.431CS..Hα-helixtrans-67.5-36.5176.1-75.6168.1000112.5N2832 M2833 E2834 R2838 K2839 R2840 M3003 Q3006 I3007 I3010N2832-L2836 WeakPolarHBondContact O-CG 3.41Å; N2832-L2836 PolarHBondContact O-N 3.25Å; N2832-L2836 VanDerWaalsContact O-N 3.11Å; M2833-L2836 PolarHBondContact O-N 3.07Å; E2834-L2836 VanDerWaalsContact C-N 3.35Å; E2834-L2836 PolarHBondContact O-N 2.87Å; L2836-R2838 PolarHBondContact O-N 2.85Å; L2836-K2839 PolarHBondContact O-N 3.45Å; L2836-R2840 WeakPolarHBondContact O-CB 3.43Å; L2836-R2840 PolarHBondContact O-N 3.12Å; L2836-R2840 VanDerWaalsContact O-N 3.1Å; L2836-M3003 HydrophobicContact CD2-CG 4.48Å; L2836-M3003 HydrophobicContact CD2-SD 4.23Å; L2836-Q3006 HydrophobicContact CD1-CB 4.23Å; L2836-I3007 HydrophobicContact CB-CD1 4.25Å; L2836-I3007 HydrophobicContact CB-CG1 3.96Å; L2836-I3007 HydrophobicContact CD1-CG1 4.47Å; L2836-I3010 HydrophobicContact CD1-CD1 3.8Å
2837K78.1Confident76.3Confident87.8 Ų87.887.8 Ų87.838%0.38243%0.431SS..Hα-helixtrans-62.2-45.2175.9-80.3-179.1178.7-179.90112.3M2833 E2834 K2839 R2840 E2841 I3007M2833-K2837 HydrophobicContact CG-CD 4.31Å; M2833-K2837 HydrophobicContact CG-CG 4.46Å; M2833-K2837 WeakPolarHBondContact O-CB 3.5Å; M2833-K2837 WeakPolarHBondContact O-CG 3.23Å; M2833-K2837 PolarHBondContact O-N 3.27Å; M2833-K2837 VanDerWaalsContact O-N 3.09Å; E2834-K2837 PolarHBondContact O-N 3.16Å; K2837-K2839 PolarHBondContact O-N 3.28Å; K2837-R2840 WeakPolarHBondContact O-CB 3.35Å; K2837-R2840 PolarHBondContact O-N 3.24Å; K2837-E2841 PolarHBondContact O-N 3.29Å; K2837-I3007 HydrophobicContact CG-CD1 3.89Å; K2837-I3007 HydrophobicContact CG-CG1 4.46Å; K2837-I3007 HydrophobicContact CG-CG2 4.44Å
2838R79Confident76.5Confident180 Ų18087.5 Ų87.568%0.67943%0.427SS*.Hα-helixtrans-60.2-47.6177.2-73.7-176.2-178.41702.9112.1E2834 L2836 R2840 E2841 D2842E2834-R2838 PolarHBondContact O-N 3.23Å; E2834-R2838 VanDerWaalsContact O-N 3.13Å; L2836-R2838 PolarHBondContact O-N 2.85Å; R2838-R2840 VanDerWaalsContact C-N 3.27Å; R2838-R2840 PolarHBondContact O-N 3.25Å; R2838-E2841 WeakPolarHBondContact O-CB 3.37Å; R2838-E2841 PolarHBondContact O-N 2.93Å; R2838-E2841 VanDerWaalsContact O-N 3.11Å; R2838-D2842 PolarHBondContact O-N 3.17Å; R2838-D2842 VanDerWaalsContact O-N 3.12Å
2839K78.4Confident76.8Confident132.2 Ų132.288.2 Ų88.258%0.57543%0.427SS*.Hα-helixtrans-58.6-37.7177.4-81.3-175.3176.9-179.10113.1A2835 L2836 K2837 E2841 D2842 E2843 M3003A2835-K2839 PolarHBondContact O-N 2.97Å; L2836-K2839 PolarHBondContact O-N 3.45Å; K2837-K2839 PolarHBondContact O-N 3.28Å; K2839-E2841 VanDerWaalsContact C-N 3.33Å; K2839-D2842 PolarHBondContact O-N 2.79Å; K2839-E2843 PolarHBondContact O-N 3.05Å; K2839-E2843 VanDerWaalsContact O-N 3.13Å; K2839-M3003 HydrophobicContact CB-CE 4.14Å; K2839-M3003 HydrophobicContact CB-SD 3.76Å
2840R79.6Confident76.9Confident78.6 Ų78.686.1 Ų86.130%0.29742%0.417SS..Hα-helixtrans-65.8-39.3177-175.9-137.5-111.9-174.2-5.3112L2836 K2837 R2838 N2844 I3000 M3003 E3004 I3007L2836-R2840 WeakPolarHBondContact O-CB 3.43Å; L2836-R2840 PolarHBondContact O-N 3.12Å; L2836-R2840 VanDerWaalsContact O-N 3.1Å; K2837-R2840 WeakPolarHBondContact O-CB 3.35Å; K2837-R2840 PolarHBondContact O-N 3.24Å; R2838-R2840 VanDerWaalsContact C-N 3.27Å; R2838-R2840 PolarHBondContact O-N 3.25Å; R2840-N2844 VanDerWaalsContact O-CB 3.29Å; R2840-N2844 WeakPolarHBondContact O-CB 3.34Å; R2840-N2844 PolarHBondContact O-N 3.2Å; R2840-N2844 VanDerWaalsContact O-N 3.16Å; R2840-I3000 HydrophobicContact CG-CG2 4.25Å; R2840-M3003 HydrophobicContact CB-CB 4.28Å; R2840-M3003 HydrophobicContact CB-CE 4.24Å; R2840-M3003 HydrophobicContact CB-SD 4.29Å; R2840-E3004 IonicContact CZ-OE1 2.88Å; R2840-E3004 VanDerWaalsContact CZ-OE1 3.28Å; R2840-E3004 VanDerWaalsContact NE-CG 3.28Å; R2840-E3004 IonicContact NE-OE1 3.64Å; R2840-E3004 PolarHBondContact NE-OE1 3.25Å; R2840-E3004 IonicContact NH2-OE1 3.6Å; R2840-E3004 PolarHBondContact NH2-OE1 3.39Å; R2840-I3007 HydrophobicContact CB-CD1 4.12Å; R2840-I3007 HydrophobicContact CG-CD1 4.45Å
2841E77.7Confident76.9Confident117.4 Ų117.486.6 Ų86.655%0.54942%0.416SS..Hα-helixtrans-63.9-44.6176.7-75.5173172.300111.6K2837 R2838 K2839 E2843 N2844 Q2845K2837-E2841 PolarHBondContact O-N 3.29Å; R2838-E2841 WeakPolarHBondContact O-CB 3.37Å; R2838-E2841 PolarHBondContact O-N 2.93Å; R2838-E2841 VanDerWaalsContact O-N 3.11Å; K2839-E2841 VanDerWaalsContact C-N 3.33Å; E2841-E2843 PolarHBondContact O-N 3.39Å; E2841-N2844 PolarHBondContact O-N 3.08Å; E2841-Q2845 WeakPolarHBondContact O-CG 3.4Å; E2841-Q2845 PolarHBondContact O-N 3.07Å; E2841-Q2845 VanDerWaalsContact O-N 3.14Å
2842D79.8Confident77Confident103.6 Ų103.687.1 Ų87.155%0.55441%0.413SS*.Hα-helixtrans-61.3-47.2178.5-65.4-23.4000112.1R2838 K2839 N2844 Q2845 L2846R2838-D2842 PolarHBondContact O-N 3.17Å; R2838-D2842 VanDerWaalsContact O-N 3.12Å; K2839-D2842 PolarHBondContact O-N 2.79Å; D2842-N2844 VanDerWaalsContact C-N 3.3Å; D2842-N2844 PolarHBondContact O-N 3.06Å; D2842-Q2845 PolarHBondContact O-N 2.91Å; D2842-L2846 PolarHBondContact O-N 2.97Å; D2842-L2846 VanDerWaalsContact O-N 3.15Å
2843E79.1Confident77Confident53 Ų5384.4 Ų84.425%0.24840%0.404CS..Hα-helixtrans-67.3-31.1178.6-73.3-167.9173.600112.9K2839 E2841 L2846 L2847 L2996 S2999 I3000 M3003K2839-E2843 PolarHBondContact O-N 3.05Å; K2839-E2843 VanDerWaalsContact O-N 3.13Å; E2841-E2843 PolarHBondContact O-N 3.39Å; E2843-L2846 PolarHBondContact O-N 2.79Å; E2843-L2847 WeakPolarHBondContact O-CB 3.37Å; E2843-L2847 PolarHBondContact O-N 3.18Å; E2843-L2847 VanDerWaalsContact O-N 3.08Å; E2843-L2996 HydrophobicContact CB-CD2 4.24Å; E2843-L2996 HydrophobicContact CG-CD2 4.34Å; E2843-S2999 VanDerWaalsContact CD-OG 3.26Å; E2843-S2999 PolarHBondContact OE1-OG 2.99Å; E2843-S2999 WeakPolarHBondContact OE2-CB 3.32Å; E2843-S2999 PolarHBondContact OE2-OG 3.24Å; E2843-I3000 HydrophobicContact CB-CD1 4.25Å; E2843-I3000 HydrophobicContact CB-CG1 3.89Å; E2843-M3003 HydrophobicContact CB-CE 4.28Å; E2843-M3003 HydrophobicContact CG-CE 4.16Å; E2843-M3003 VanDerWaalsContact OE2-CE 3.3Å; E2843-M3003 WeakPolarHBondContact OE2-CE 3.39Å
2844N80.8Confident76.7Confident82.8 Ų82.884.1 Ų84.144%0.44340%0.403SS..Hα-helixtrans-71.1-36.9178.8-164.942.6000112R2840 E2841 D2842 L2846 L2847 E2848 I3000R2840-N2844 VanDerWaalsContact O-CB 3.29Å; R2840-N2844 WeakPolarHBondContact O-CB 3.34Å; R2840-N2844 PolarHBondContact O-N 3.2Å; R2840-N2844 VanDerWaalsContact O-N 3.16Å; E2841-N2844 PolarHBondContact O-N 3.08Å; D2842-N2844 VanDerWaalsContact C-N 3.3Å; D2842-N2844 PolarHBondContact O-N 3.06Å; N2844-L2846 VanDerWaalsContact C-N 3.34Å; N2844-L2847 WeakPolarHBondContact O-CB 3.36Å; N2844-L2847 PolarHBondContact O-N 3.06Å; N2844-E2848 PolarHBondContact O-N 3.16Å; N2844-I3000 HydrophobicContact CB-CD1 4.16Å
2845Q80.3Confident76.6Confident127.2 Ų127.285 Ų8559%0.59441%0.407SS*.Hα-helixtrans-61.5-45.1172.1-70.6179.211.300111.1E2841 D2842 L2847 E2848 E2849E2841-Q2845 WeakPolarHBondContact O-CG 3.4Å; E2841-Q2845 PolarHBondContact O-N 3.07Å; E2841-Q2845 VanDerWaalsContact O-N 3.14Å; D2842-Q2845 PolarHBondContact O-N 2.91Å; Q2845-L2847 VanDerWaalsContact C-N 3.28Å; Q2845-L2847 PolarHBondContact O-N 2.98Å; Q2845-E2848 WeakPolarHBondContact O-CB 3.47Å; Q2845-E2848 PolarHBondContact O-N 3.13Å; Q2845-E2849 WeakPolarHBondContact O-CG 3.44Å; Q2845-E2849 PolarHBondContact O-N 3.14Å; Q2845-E2849 VanDerWaalsContact O-N 3.1Å
2846L80.2Confident76.4Confident84.4 Ų84.485.2 Ų85.244%0.44241%0.409SS..Hα-helixtrans-62-33.6178.5-148.483.2000112.5D2842 E2843 N2844 E2849 Q2850 L2996D2842-L2846 PolarHBondContact O-N 2.97Å; D2842-L2846 VanDerWaalsContact O-N 3.15Å; E2843-L2846 PolarHBondContact O-N 2.79Å; N2844-L2846 VanDerWaalsContact C-N 3.34Å; L2846-E2849 PolarHBondContact O-N 2.89Å; L2846-Q2850 VanDerWaalsContact O-CG 3.27Å; L2846-Q2850 WeakPolarHBondContact O-CG 3.42Å; L2846-Q2850 PolarHBondContact O-N 2.97Å; L2846-L2996 HydrophobicContact CB-CD1 4.34Å; L2846-L2996 HydrophobicContact CB-CD2 4.41Å; L2846-L2996 HydrophobicContact CD2-CD1 4.08Å; L2846-L2996 HydrophobicContact CD2-CD2 3.96Å; L2846-L2996 HydrophobicContact CG-CD1 4.2Å; L2846-L2996 HydrophobicContact CG-CD2 4.39Å
2847L76.5Confident76Confident23.2 Ų23.288.1 Ų88.112%0.12142%0.42CS..Hα-helixtrans-68.9-40.6177.8-170.9121.5000112.2E2843 N2844 Q2845 Q2850 R2851 K2993 L2996 Q2997 I3000E2843-L2847 WeakPolarHBondContact O-CB 3.37Å; E2843-L2847 PolarHBondContact O-N 3.18Å; E2843-L2847 VanDerWaalsContact O-N 3.08Å; N2844-L2847 WeakPolarHBondContact O-CB 3.36Å; N2844-L2847 PolarHBondContact O-N 3.06Å; Q2845-L2847 VanDerWaalsContact C-N 3.28Å; Q2845-L2847 PolarHBondContact O-N 2.98Å; L2847-Q2850 PolarHBondContact O-N 3.26Å; L2847-R2851 WeakPolarHBondContact O-CB 3.38Å; L2847-R2851 PolarHBondContact O-N 3.1Å; L2847-R2851 VanDerWaalsContact O-N 3.16Å; L2847-K2993 HydrophobicContact CD1-CG 4.31Å; L2847-L2996 HydrophobicContact CB-CB 4.39Å; L2847-L2996 HydrophobicContact CB-CD1 4.34Å; L2847-L2996 HydrophobicContact CD1-CB 3.7Å; L2847-L2996 HydrophobicContact CG-CB 4.38Å; L2847-Q2997 HydrophobicContact CD1-CB 4.14Å; L2847-Q2997 HydrophobicContact CD1-CG 3.55Å; L2847-Q2997 HydrophobicContact CD2-CG 4.4Å; L2847-Q2997 HydrophobicContact CG-CG 4.4Å; L2847-I3000 HydrophobicContact CB-CD1 4.14Å; L2847-I3000 HydrophobicContact CD1-CD1 4.11Å; L2847-I3000 HydrophobicContact CD2-CD1 4.02Å; L2847-I3000 HydrophobicContact CG-CD1 4.19Å
2848E76.4Confident75.4Confident90.2 Ų90.285.8 Ų85.842%0.42141%0.412SS..Hα-helixtrans-63.1-44.3175.4-89.4-102.2153.500111.8N2844 Q2845 Q2850 R2851 N2852N2844-E2848 PolarHBondContact O-N 3.16Å; Q2845-E2848 WeakPolarHBondContact O-CB 3.47Å; Q2845-E2848 PolarHBondContact O-N 3.13Å; E2848-Q2850 VanDerWaalsContact C-N 3.33Å; E2848-Q2850 PolarHBondContact O-N 2.91Å; E2848-R2851 VanDerWaalsContact CD-NH2 3.33Å; E2848-R2851 WeakPolarHBondContact O-CB 3.37Å; E2848-R2851 PolarHBondContact O-N 3.19Å; E2848-R2851 VanDerWaalsContact O-N 3.11Å; E2848-R2851 IonicContact OE1-CZ 3.28Å; E2848-R2851 IonicContact OE1-NE 3.42Å; E2848-R2851 IonicContact OE1-NH2 3.26Å; E2848-R2851 PolarHBondContact OE1-NH2 3.17Å; E2848-R2851 IonicContact OE2-CZ 3.62Å; E2848-R2851 IonicContact OE2-NE 3.78Å; E2848-R2851 PolarHBondContact OE2-NE 3.07Å; E2848-R2851 VanDerWaalsContact OE2-NE 3.17Å; E2848-R2851 IonicContact OE2-NH2 3.31Å; E2848-R2851 PolarHBondContact OE2-NH2 2.79Å; E2848-N2852 WeakPolarHBondContact O-CB 3.31Å; E2848-N2852 VanDerWaalsContact O-CG 3.29Å; E2848-N2852 PolarHBondContact O-N 3.31Å; E2848-N2852 VanDerWaalsContact O-N 3.13Å; E2848-N2852 PolarHBondContact O-ND2 3.17Å; E2848-N2852 PolarHBondContact OE2-ND2 3.36Å
2849E77.5Confident75.1Confident124.2 Ų124.280.5 Ų80.558%0.5840%0.402SS*.Hα-helixtrans-58.1-44.8176.4-69.5-179.1170.200112.1Q2845 L2846 R2851 N2852 A2853Q2845-E2849 WeakPolarHBondContact O-CG 3.44Å; Q2845-E2849 PolarHBondContact O-N 3.14Å; Q2845-E2849 VanDerWaalsContact O-N 3.1Å; L2846-E2849 PolarHBondContact O-N 2.89Å; E2849-R2851 VanDerWaalsContact C-N 3.34Å; E2849-R2851 PolarHBondContact O-N 3.03Å; E2849-N2852 PolarHBondContact O-N 3.16Å; E2849-A2853 WeakPolarHBondContact O-CB 3.44Å; E2849-A2853 PolarHBondContact O-N 3.08Å; E2849-A2853 VanDerWaalsContact O-N 3.11Å
2850Q71.5Confident74.6Confident39.6 Ų39.682.2 Ų82.219%0.18541%0.409CS..Hα-helixtrans-65.9-36.1177.8-68-67.4-54.800112.2L2846 L2847 E2848 A2853 I2854 L2996L2846-Q2850 VanDerWaalsContact O-CG 3.27Å; L2846-Q2850 WeakPolarHBondContact O-CG 3.42Å; L2846-Q2850 PolarHBondContact O-N 2.97Å; L2847-Q2850 PolarHBondContact O-N 3.26Å; E2848-Q2850 VanDerWaalsContact C-N 3.33Å; E2848-Q2850 PolarHBondContact O-N 2.91Å; Q2850-A2853 PolarHBondContact O-N 2.98Å; Q2850-I2854 WeakPolarHBondContact O-CD1 3.47Å; Q2850-I2854 VanDerWaalsContact O-CG1 3.31Å; Q2850-I2854 WeakPolarHBondContact O-CG1 3.27Å; Q2850-I2854 PolarHBondContact O-N 3.15Å; Q2850-I2854 VanDerWaalsContact O-N 3.09Å; Q2850-L2996 HydrophobicContact CG-CD1 4.25Å
2851R72.8Confident74.1Confident112.6 Ų112.679.3 Ų79.343%0.42540%0.4SS..Hα-helixtrans-64.1-48.3177.8-171179.277.8152.7-3.3111L2847 E2848 E2849 A2853 I2854 E2855L2847-R2851 WeakPolarHBondContact O-CB 3.38Å; L2847-R2851 PolarHBondContact O-N 3.1Å; L2847-R2851 VanDerWaalsContact O-N 3.16Å; E2848-R2851 VanDerWaalsContact CD-NH2 3.33Å; E2848-R2851 WeakPolarHBondContact O-CB 3.37Å; E2848-R2851 PolarHBondContact O-N 3.19Å; E2848-R2851 VanDerWaalsContact O-N 3.11Å; E2848-R2851 IonicContact OE1-CZ 3.28Å; E2848-R2851 IonicContact OE1-NE 3.42Å; E2848-R2851 IonicContact OE1-NH2 3.26Å; E2848-R2851 PolarHBondContact OE1-NH2 3.17Å; E2848-R2851 IonicContact OE2-CZ 3.62Å; E2848-R2851 IonicContact OE2-NE 3.78Å; E2848-R2851 PolarHBondContact OE2-NE 3.07Å; E2848-R2851 VanDerWaalsContact OE2-NE 3.17Å; E2848-R2851 IonicContact OE2-NH2 3.31Å; E2848-R2851 PolarHBondContact OE2-NH2 2.79Å; E2849-R2851 VanDerWaalsContact C-N 3.34Å; E2849-R2851 PolarHBondContact O-N 3.03Å; R2851-A2853 VanDerWaalsContact C-N 3.28Å; R2851-A2853 PolarHBondContact O-N 3.15Å; R2851-I2854 PolarHBondContact O-N 3.14Å; R2851-I2854 VanDerWaalsContact O-N 3.1Å; R2851-E2855 WeakPolarHBondContact O-CB 3.49Å; R2851-E2855 PolarHBondContact O-N 3.02Å; R2851-E2855 VanDerWaalsContact O-N 3.08Å
2852N74.4Confident73.7Confident84 Ų8478.5 Ų78.545%0.44940%0.396SS..Hα-helixtrans-62-36.4-179.6-66.3-20.8000111.7E2848 E2849 I2854 E2855 A2856E2848-N2852 WeakPolarHBondContact O-CB 3.31Å; E2848-N2852 VanDerWaalsContact O-CG 3.29Å; E2848-N2852 PolarHBondContact O-N 3.31Å; E2848-N2852 VanDerWaalsContact O-N 3.13Å; E2848-N2852 PolarHBondContact O-ND2 3.17Å; E2848-N2852 PolarHBondContact OE2-ND2 3.36Å; E2849-N2852 PolarHBondContact O-N 3.16Å; N2852-I2854 VanDerWaalsContact C-N 3.34Å; N2852-I2854 PolarHBondContact O-N 3.19Å; N2852-E2855 PolarHBondContact O-N 3.05Å; N2852-A2856 WeakPolarHBondContact O-CB 3.34Å; N2852-A2856 PolarHBondContact O-N 3.19Å
2853A73.1Confident73.6Confident42.2 Ų42.277.2 Ų77.235%0.34939%0.393SS..Hα-helixtrans-67.4-31.2177.600000114.1E2849 Q2850 R2851 K2857E2849-A2853 WeakPolarHBondContact O-CB 3.44Å; E2849-A2853 PolarHBondContact O-N 3.08Å; E2849-A2853 VanDerWaalsContact O-N 3.11Å; Q2850-A2853 PolarHBondContact O-N 2.98Å; R2851-A2853 VanDerWaalsContact C-N 3.28Å; R2851-A2853 PolarHBondContact O-N 3.15Å; A2853-K2857 WeakPolarHBondContact O-CG 3.2Å
2854I68.6Low73.4Confident14.2 Ų14.278.4 Ų78.47%0.07340%0.401CS..Hα-helixtrans-74.5-46177.3-67167.6000110.2Q2850 R2851 N2852 A2856 K2857 L2858 I2986 L2989 E2990 K2993Q2850-I2854 WeakPolarHBondContact O-CD1 3.47Å; Q2850-I2854 VanDerWaalsContact O-CG1 3.31Å; Q2850-I2854 WeakPolarHBondContact O-CG1 3.27Å; Q2850-I2854 PolarHBondContact O-N 3.15Å; Q2850-I2854 VanDerWaalsContact O-N 3.09Å; R2851-I2854 PolarHBondContact O-N 3.14Å; R2851-I2854 VanDerWaalsContact O-N 3.1Å; N2852-I2854 VanDerWaalsContact C-N 3.34Å; N2852-I2854 PolarHBondContact O-N 3.19Å; I2854-A2856 VanDerWaalsContact C-N 3.35Å; I2854-A2856 PolarHBondContact O-N 3.09Å; I2854-K2857 PolarHBondContact O-N 3.21Å; I2854-K2857 VanDerWaalsContact O-N 3.08Å; I2854-L2858 HydrophobicContact CG2-CD1 4.05Å; I2854-L2858 PolarHBondContact O-N 3.02Å; I2854-L2858 VanDerWaalsContact O-N 3.13Å; I2854-I2986 HydrophobicContact CG1-CG2 4.33Å; I2854-I2986 HydrophobicContact CG2-CD1 4.48Å; I2854-I2986 HydrophobicContact CG2-CG2 4.08Å; I2854-L2989 HydrophobicContact CD1-CB 4Å; I2854-L2989 HydrophobicContact CG1-CB 3.83Å; I2854-L2989 HydrophobicContact CG1-CD1 4.38Å; I2854-E2990 HydrophobicContact CD1-CG 4.18Å; I2854-K2993 HydrophobicContact CD1-CB 4.32Å; I2854-K2993 HydrophobicContact CD1-CD 4.13Å
2855E70.9Confident73Confident119.2 Ų119.275.5 Ų75.556%0.55739%0.385SS*.Hα-helixtrans-64.7-38.6-176.8-165.8165.6-173.800112.5R2851 N2852 K2857 L2858 S2859R2851-E2855 WeakPolarHBondContact O-CB 3.49Å; R2851-E2855 PolarHBondContact O-N 3.02Å; R2851-E2855 VanDerWaalsContact O-N 3.08Å; N2852-E2855 PolarHBondContact O-N 3.05Å; E2855-K2857 VanDerWaalsContact C-N 3.26Å; E2855-K2857 PolarHBondContact O-N 3.12Å; E2855-L2858 PolarHBondContact O-N 3.09Å; E2855-S2859 VanDerWaalsContact O-CB 3.28Å; E2855-S2859 WeakPolarHBondContact O-CB 3.46Å; E2855-S2859 PolarHBondContact O-N 3.35Å; E2855-S2859 VanDerWaalsContact O-N 3.16Å; E2855-S2859 PolarHBondContact O-OG 3.44Å
2856A72.8Confident72.6Confident58.6 Ų58.676.1 Ų76.148%0.48439%0.386SS..Hα-helixtrans-63-24.7175.300000114N2852 I2854 S2859N2852-A2856 WeakPolarHBondContact O-CB 3.34Å; N2852-A2856 PolarHBondContact O-N 3.19Å; I2854-A2856 VanDerWaalsContact C-N 3.35Å; I2854-A2856 PolarHBondContact O-N 3.09Å; A2856-S2859 PolarHBondContact O-OG 3.17Å
2857K69Low72.4Confident95.8 Ų95.877.4 Ų77.442%0.41739%0.39SS..Hα-helixtrans-85.4-35.8178-74.2-178.2179.3176.70112.7A2853 I2854 E2855 I2986 L2989A2853-K2857 WeakPolarHBondContact O-CG 3.2Å; I2854-K2857 PolarHBondContact O-N 3.21Å; I2854-K2857 VanDerWaalsContact O-N 3.08Å; E2855-K2857 VanDerWaalsContact C-N 3.26Å; E2855-K2857 PolarHBondContact O-N 3.12Å; K2857-I2986 HydrophobicContact CB-CD1 4.11Å; K2857-I2986 HydrophobicContact CB-CG1 4.33Å; K2857-I2986 HydrophobicContact CB-CG2 4.45Å; K2857-I2986 HydrophobicContact CD-CG1 4.27Å; K2857-I2986 HydrophobicContact CD-CG2 4.25Å; K2857-L2989 HydrophobicContact CD-CD1 4.35Å
2858L65.8Low72.2Confident39.6 Ų39.676.5 Ų76.521%0.20739%0.386CS..Hα-helixtrans-72.3-40.1179.8-75.9164.9000112.4I2854 E2855 K2860 I2861 E2862 Y2979 L2983 I2986I2854-L2858 HydrophobicContact CG2-CD1 4.05Å; I2854-L2858 PolarHBondContact O-N 3.02Å; I2854-L2858 VanDerWaalsContact O-N 3.13Å; E2855-L2858 PolarHBondContact O-N 3.09Å; L2858-K2860 PolarHBondContact O-N 2.96Å; L2858-I2861 PolarHBondContact O-N 3.08Å; L2858-I2861 VanDerWaalsContact O-N 3.11Å; L2858-E2862 PolarHBondContact O-N 3.27Å; L2858-Y2979 HydrophobicContact CD2-CE2 4.26Å; L2858-L2983 HydrophobicContact CD2-CD2 4.43Å; L2858-I2986 HydrophobicContact CD1-CD1 4.27Å; L2858-I2986 HydrophobicContact CD2-CD1 3.82Å; L2858-I2986 HydrophobicContact CG-CD1 3.91Å
2859S72.1Confident72.2Confident68.6 Ų68.675.5 Ų75.548%0.4838%0.38SS..THydrogen-bonded Turntrans-57.1-25.3-176.876.50000114.9E2855 A2856 I2861 P2863E2855-S2859 VanDerWaalsContact O-CB 3.28Å; E2855-S2859 WeakPolarHBondContact O-CB 3.46Å; E2855-S2859 PolarHBondContact O-N 3.35Å; E2855-S2859 VanDerWaalsContact O-N 3.16Å; E2855-S2859 PolarHBondContact O-OG 3.44Å; A2856-S2859 PolarHBondContact O-OG 3.17Å; S2859-I2861 VanDerWaalsContact C-N 3.33Å; S2859-I2861 PolarHBondContact O-N 3.26Å; S2859-P2863 VanDerWaalsContact O-CD 3.28Å; S2859-P2863 WeakPolarHBondContact O-CD 3.29Å
2860K68.7Low72.1Confident166.2 Ų166.275 Ų7572%0.72338%0.378SS*.THydrogen-bonded Turntrans-74.9-22.4-178.5-68.9-176-179.6-178.80114.5L2858L2858-K2860 PolarHBondContact O-N 2.96Å
2861I68.7Low72.3Confident18.2 Ų18.276 Ų769%0.09338%0.384CS..THydrogen-bonded Turntrans-113.8-27.2-172.7-59.9-170.3000113.1L2858 S2859 P2863 L2864 I2865 K2978 Y2979 I2982L2858-I2861 PolarHBondContact O-N 3.08Å; L2858-I2861 VanDerWaalsContact O-N 3.11Å; S2859-I2861 VanDerWaalsContact C-N 3.33Å; S2859-I2861 PolarHBondContact O-N 3.26Å; I2861-P2863 VanDerWaalsContact C-CD 3.41Å; I2861-P2863 VanDerWaalsContact C-N 3.27Å; I2861-P2863 VanDerWaalsContact O-N 3.13Å; I2861-L2864 HydrophobicContact CG2-CB 4.45Å; I2861-L2864 WeakPolarHBondContact O-CA 3.38Å; I2861-L2864 WeakPolarHBondContact O-CB 3.23Å; I2861-L2864 PolarHBondContact O-N 3.17Å; I2861-I2865 HydrophobicContact CG2-CD1 4.37Å; I2861-I2865 HydrophobicContact CG2-CG1 4.3Å; I2861-I2865 PolarHBondContact O-N 3.21Å; I2861-K2978 HydrophobicContact CD1-CB 4.21Å; I2861-K2978 WeakPolarHBondContact CD1-O 3.39Å; I2861-Y2979 HydrophobicContact CB-CD2 4.45Å; I2861-Y2979 HydrophobicContact CG2-CD2 3.97Å; I2861-Y2979 HydrophobicContact CG2-CG 4.44Å; I2861-I2982 HydrophobicContact CD1-CB 3.96Å; I2861-I2982 HydrophobicContact CD1-CD1 3.15Å; I2861-I2982 HydrophobicContact CD1-CG1 3.7Å; I2861-I2982 HydrophobicContact CD1-CG2 3.46Å; I2861-I2982 VanDerWaalsContact CD1-CG2 3.46Å; I2861-I2982 HydrophobicContact CG1-CD1 3.79Å; I2861-I2982 HydrophobicContact CG1-CG1 4.44Å
2862E69.3Low72.3Confident101.8 Ų101.870.7 Ų70.748%0.47637%0.365SS..Hα-helixtrans-44.6-42.6174.2-74.4-179.1175.800115L2858 L2864 I2865 K2866 Y2979L2858-E2862 PolarHBondContact O-N 3.27Å; E2862-L2864 VanDerWaalsContact C-N 3.33Å; E2862-L2864 PolarHBondContact O-N 3.13Å; E2862-I2865 PolarHBondContact O-N 3.2Å; E2862-K2866 WeakPolarHBondContact O-CB 3.49Å; E2862-K2866 PolarHBondContact O-N 3.26Å; E2862-K2866 VanDerWaalsContact O-N 3.08Å; E2862-Y2979 HydrophobicContact CG-CE2 4.39Å
2863P76.9Confident72.2Confident75.6 Ų75.672.6 Ų72.649%0.49137%0.371SS..Hα-helixtrans-64.3-33.3176.522-32.6000113.7S2859 I2861 I2865 K2866 Q2867S2859-P2863 VanDerWaalsContact O-CD 3.28Å; S2859-P2863 WeakPolarHBondContact O-CD 3.29Å; I2861-P2863 VanDerWaalsContact C-CD 3.41Å; I2861-P2863 VanDerWaalsContact C-N 3.27Å; I2861-P2863 VanDerWaalsContact O-N 3.13Å; P2863-I2865 VanDerWaalsContact C-N 3.35Å; P2863-I2865 PolarHBondContact O-N 3.19Å; P2863-K2866 PolarHBondContact O-N 3.2Å; P2863-Q2867 VanDerWaalsContact O-CB 3.27Å; P2863-Q2867 WeakPolarHBondContact O-CB 3.37Å; P2863-Q2867 PolarHBondContact O-N 2.93Å; P2863-Q2867 VanDerWaalsContact O-N 3.14Å
2864L74.3Confident72.2Confident77.8 Ų77.874.6 Ų74.641%0.40738%0.382SS..Hα-helixtrans-67.9-36.9179-70171.6000112.2I2861 E2862 A2868 K2978I2861-L2864 HydrophobicContact CG2-CB 4.45Å; I2861-L2864 WeakPolarHBondContact O-CA 3.38Å; I2861-L2864 WeakPolarHBondContact O-CB 3.23Å; I2861-L2864 PolarHBondContact O-N 3.17Å; E2862-L2864 VanDerWaalsContact C-N 3.33Å; E2862-L2864 PolarHBondContact O-N 3.13Å; L2864-A2868 VanDerWaalsContact O-CB 3.31Å; L2864-A2868 WeakPolarHBondContact O-CB 3.35Å; L2864-A2868 PolarHBondContact O-N 3.18Å; L2864-A2868 VanDerWaalsContact O-N 3.11Å; L2864-K2978 HydrophobicContact CD1-CD 4.43Å
2865I73.4Confident72.4Confident22.8 Ų22.874.4 Ų74.412%0.11738%0.381CS..Hα-helixtrans-72.1-42.5176-71.2-165.6000110.7I2861 E2862 P2863 Q2867 A2868 K2869 A2932 A2975 Y2979I2861-I2865 HydrophobicContact CG2-CD1 4.37Å; I2861-I2865 HydrophobicContact CG2-CG1 4.3Å; I2861-I2865 PolarHBondContact O-N 3.21Å; E2862-I2865 PolarHBondContact O-N 3.2Å; P2863-I2865 VanDerWaalsContact C-N 3.35Å; P2863-I2865 PolarHBondContact O-N 3.19Å; I2865-Q2867 VanDerWaalsContact C-N 3.32Å; I2865-Q2867 PolarHBondContact O-N 2.95Å; I2865-A2868 PolarHBondContact O-N 3.12Å; I2865-K2869 HydrophobicContact CG2-CD 4.18Å; I2865-K2869 HydrophobicContact CG2-CG 4.31Å; I2865-K2869 WeakPolarHBondContact O-CB 3.32Å; I2865-K2869 WeakPolarHBondContact O-CG 3.39Å; I2865-K2869 PolarHBondContact O-N 3.21Å; I2865-A2932 HydrophobicContact CD1-CB 4.38Å; I2865-A2975 HydrophobicContact CG1-CB 4.3Å; I2865-Y2979 VanDerWaalsContact CD1-CB 3.48Å; I2865-Y2979 HydrophobicContact CD1-CD1 4.07Å; I2865-Y2979 HydrophobicContact CD1-CD2 3.52Å; I2865-Y2979 HydrophobicContact CD1-CE2 3.97Å; I2865-Y2979 HydrophobicContact CD1-CG 3.47Å; I2865-Y2979 VanDerWaalsContact CD1-CG 3.46Å; I2865-Y2979 HydrophobicContact CG1-CD2 4.07Å; I2865-Y2979 HydrophobicContact CG1-CG 4.22Å
2866K72.6Confident72.5Confident139.8 Ų139.877.7 Ų77.761%0.60839%0.388SS*.Hα-helixtrans-59.3-47.4178-115.1-178.5177.2179.90111E2862 P2863 A2868 K2869 E2870E2862-K2866 WeakPolarHBondContact O-CB 3.49Å; E2862-K2866 PolarHBondContact O-N 3.26Å; E2862-K2866 VanDerWaalsContact O-N 3.08Å; P2863-K2866 PolarHBondContact O-N 3.2Å; K2866-A2868 VanDerWaalsContact C-N 3.31Å; K2866-A2868 PolarHBondContact O-N 3.1Å; K2866-K2869 PolarHBondContact O-N 3.09Å; K2866-K2869 VanDerWaalsContact O-N 3.17Å; K2866-E2870 WeakPolarHBondContact CE-OE1 3.43Å; K2866-E2870 WeakPolarHBondContact O-CG 3.36Å; K2866-E2870 PolarHBondContact O-N 3.14Å
2867Q76.1Confident72.4Confident111 Ų11178.5 Ų78.552%0.51940%0.395SS..Hα-helixtrans-60.5-45176.9-170.8146.322.600111.9P2863 I2865 K2869 E2870 D2871P2863-Q2867 VanDerWaalsContact O-CB 3.27Å; P2863-Q2867 WeakPolarHBondContact O-CB 3.37Å; P2863-Q2867 PolarHBondContact O-N 2.93Å; P2863-Q2867 VanDerWaalsContact O-N 3.14Å; I2865-Q2867 VanDerWaalsContact C-N 3.32Å; I2865-Q2867 PolarHBondContact O-N 2.95Å; Q2867-K2869 VanDerWaalsContact C-N 3.32Å; Q2867-K2869 PolarHBondContact O-N 3.17Å; Q2867-E2870 PolarHBondContact O-N 3.26Å; Q2867-D2871 PolarHBondContact NE2-OD1 3.46Å; Q2867-D2871 WeakPolarHBondContact O-CB 3.4Å; Q2867-D2871 VanDerWaalsContact O-CG 3.26Å; Q2867-D2871 PolarHBondContact O-N 3.05Å; Q2867-D2871 VanDerWaalsContact O-N 3.09Å
2868A72.1Confident72.6Confident5 Ų579.1 Ų79.14%0.04140%0.403CS..Hα-helixtrans-66.1-31.2178.300000113.6L2864 I2865 K2866 V2872 W2972 A2975L2864-A2868 VanDerWaalsContact O-CB 3.31Å; L2864-A2868 WeakPolarHBondContact O-CB 3.35Å; L2864-A2868 PolarHBondContact O-N 3.18Å; L2864-A2868 VanDerWaalsContact O-N 3.11Å; I2865-A2868 PolarHBondContact O-N 3.12Å; K2866-A2868 VanDerWaalsContact C-N 3.31Å; K2866-A2868 PolarHBondContact O-N 3.1Å; A2868-V2872 VanDerWaalsContact O-CG2 3.31Å; A2868-V2872 WeakPolarHBondContact O-CG2 3.3Å; A2868-V2872 PolarHBondContact O-N 3.18Å; A2868-V2872 VanDerWaalsContact O-N 3.08Å; A2868-W2972 HydrophobicContact CB-CB 4.41Å; A2868-A2975 HydrophobicContact CB-CB 3.67Å
2869K75.2Confident73Confident68 Ų6878.1 Ų78.130%0.29640%0.399SS..Hα-helixtrans-70.9-42.3173.8-74.5-174.2178.2-156.10111.9I2865 K2866 Q2867 D2871 V2872 Q2873 I2928 F2930I2865-K2869 HydrophobicContact CG2-CD 4.18Å; I2865-K2869 HydrophobicContact CG2-CG 4.31Å; I2865-K2869 WeakPolarHBondContact O-CB 3.32Å; I2865-K2869 WeakPolarHBondContact O-CG 3.39Å; I2865-K2869 PolarHBondContact O-N 3.21Å; K2866-K2869 PolarHBondContact O-N 3.09Å; K2866-K2869 VanDerWaalsContact O-N 3.17Å; Q2867-K2869 VanDerWaalsContact C-N 3.32Å; Q2867-K2869 PolarHBondContact O-N 3.17Å; K2869-D2871 VanDerWaalsContact C-N 3.33Å; K2869-D2871 PolarHBondContact O-N 3.31Å; K2869-V2872 PolarHBondContact O-N 3.08Å; K2869-Q2873 WeakPolarHBondContact O-CB 3.35Å; K2869-Q2873 PolarHBondContact O-N 3.11Å; K2869-Q2873 VanDerWaalsContact O-N 3.13Å; K2869-I2928 WeakPolarHBondContact CD-O 3.25Å; K2869-I2928 VanDerWaalsContact CE-O 3.31Å; K2869-I2928 WeakPolarHBondContact CE-O 3.45Å; K2869-I2928 PolarHBondContact NZ-O 3.05Å; K2869-F2930 PolarHBondContact NZ-O 3.35Å; K2869-F2930 VanDerWaalsContact NZ-O 3.1Å
2870E76.4Confident73Confident114.4 Ų114.476.4 Ų76.454%0.53538%0.384SS..Hα-helixtrans-61.1-42.3174.6-73.8173.8-176.400111.2K2866 Q2867 V2872 Q2873 S2874K2866-E2870 WeakPolarHBondContact CE-OE1 3.43Å; K2866-E2870 WeakPolarHBondContact O-CG 3.36Å; K2866-E2870 PolarHBondContact O-N 3.14Å; Q2867-E2870 PolarHBondContact O-N 3.26Å; E2870-V2872 VanDerWaalsContact C-N 3.34Å; E2870-V2872 PolarHBondContact O-N 3.17Å; E2870-Q2873 WeakPolarHBondContact O-CB 3.41Å; E2870-Q2873 PolarHBondContact O-N 3.29Å; E2870-Q2873 VanDerWaalsContact O-N 3.11Å; E2870-S2874 PolarHBondContact O-N 3.31Å; E2870-S2874 VanDerWaalsContact O-N 3.1Å
2871D74.8Confident73.2Confident61.2 Ų61.270.9 Ų70.933%0.32737%0.367SS..Hα-helixtrans-61.6-43.5177.4-71.4-20.2000111.7Q2867 K2869 Q2873 S2874 P2968Q2867-D2871 PolarHBondContact NE2-OD1 3.46Å; Q2867-D2871 WeakPolarHBondContact O-CB 3.4Å; Q2867-D2871 VanDerWaalsContact O-CG 3.26Å; Q2867-D2871 PolarHBondContact O-N 3.05Å; Q2867-D2871 VanDerWaalsContact O-N 3.09Å; K2869-D2871 VanDerWaalsContact C-N 3.33Å; K2869-D2871 PolarHBondContact O-N 3.31Å; D2871-Q2873 VanDerWaalsContact C-N 3.31Å; D2871-Q2873 PolarHBondContact O-N 3.14Å; D2871-S2874 WeakPolarHBondContact O-CB 3.21Å; D2871-S2874 PolarHBondContact O-N 3.32Å; D2871-S2874 VanDerWaalsContact O-N 3.16Å; D2871-S2874 PolarHBondContact O-OG 3.01Å; D2871-P2968 HydrophobicContact CB-CB 4.12Å; D2871-P2968 WeakPolarHBondContact O-CB 3.34Å
2872V73Confident73.6Confident1.2 Ų1.275.4 Ų75.41%0.00739%0.388CS..Hα-helixtrans-66.9-32.7176.5172.10000111.9A2868 K2869 E2870 S2874 I2875 I2927 I2928 P2968 L2969 W2972A2868-V2872 VanDerWaalsContact O-CG2 3.31Å; A2868-V2872 WeakPolarHBondContact O-CG2 3.3Å; A2868-V2872 PolarHBondContact O-N 3.18Å; A2868-V2872 VanDerWaalsContact O-N 3.08Å; K2869-V2872 PolarHBondContact O-N 3.08Å; E2870-V2872 VanDerWaalsContact C-N 3.34Å; E2870-V2872 PolarHBondContact O-N 3.17Å; V2872-S2874 PolarHBondContact O-N 3.23Å; V2872-I2875 HydrophobicContact CB-CD1 4.47Å; V2872-I2875 HydrophobicContact CG1-CD1 4.2Å; V2872-I2875 WeakPolarHBondContact O-CB 3.28Å; V2872-I2875 VanDerWaalsContact O-CG1 3.32Å; V2872-I2875 WeakPolarHBondContact O-CG1 3.4Å; V2872-I2875 PolarHBondContact O-N 3.2Å; V2872-I2927 HydrophobicContact CG1-CB 4.21Å; V2872-I2927 HydrophobicContact CG1-CG2 3.73Å; V2872-I2927 HydrophobicContact CG2-CG2 4.3Å; V2872-I2928 HydrophobicContact CG1-CG1 4.14Å; V2872-P2968 HydrophobicContact CG2-CB 4.35Å; V2872-L2969 HydrophobicContact CG2-CD2 4.4Å; V2872-W2972 HydrophobicContact CG2-CB 3.72Å; V2872-W2972 HydrophobicContact CG2-CG 4.01Å
2873Q73.1Confident73.9Confident123 Ų12370.7 Ų70.758%0.57537%0.366SS*.Hα-helixtrans-65-26.3175.7-164.2177.412.200112.3K2869 E2870 D2871 I2875 K2924 I2928K2869-Q2873 WeakPolarHBondContact O-CB 3.35Å; K2869-Q2873 PolarHBondContact O-N 3.11Å; K2869-Q2873 VanDerWaalsContact O-N 3.13Å; E2870-Q2873 WeakPolarHBondContact O-CB 3.41Å; E2870-Q2873 PolarHBondContact O-N 3.29Å; E2870-Q2873 VanDerWaalsContact O-N 3.11Å; D2871-Q2873 VanDerWaalsContact C-N 3.31Å; D2871-Q2873 PolarHBondContact O-N 3.14Å; Q2873-I2875 VanDerWaalsContact C-N 3.29Å; Q2873-I2875 PolarHBondContact O-N 2.99Å; Q2873-K2924 WeakPolarHBondContact O-CE 3.35Å; Q2873-K2924 PolarHBondContact O-NZ 3.02Å; Q2873-I2928 HydrophobicContact CB-CD1 4.13Å; Q2873-I2928 HydrophobicContact CG-CD1 4.2Å
2874S72.8Confident73.8Confident84.2 Ų84.272.9 Ų72.959%0.58936%0.364SS*.THydrogen-bonded Turntrans-76.6-8.7179.178.70000114.9E2870 D2871 V2872 R2876E2870-S2874 PolarHBondContact O-N 3.31Å; E2870-S2874 VanDerWaalsContact O-N 3.1Å; D2871-S2874 WeakPolarHBondContact O-CB 3.21Å; D2871-S2874 PolarHBondContact O-N 3.32Å; D2871-S2874 VanDerWaalsContact O-N 3.16Å; D2871-S2874 PolarHBondContact O-OG 3.01Å; V2872-S2874 PolarHBondContact O-N 3.23Å; S2874-R2876 PolarHBondContact O-N 3.1Å
2875I73.1Confident74Confident11.4 Ų11.473.7 Ų73.76%0.05838%0.376CS..  trans-66121.9-179.6-58.3172.8000110.3V2872 Q2873 L2880 K2924 A2965 P2968 L2969V2872-I2875 HydrophobicContact CB-CD1 4.47Å; V2872-I2875 HydrophobicContact CG1-CD1 4.2Å; V2872-I2875 WeakPolarHBondContact O-CB 3.28Å; V2872-I2875 VanDerWaalsContact O-CG1 3.32Å; V2872-I2875 WeakPolarHBondContact O-CG1 3.4Å; V2872-I2875 PolarHBondContact O-N 3.2Å; Q2873-I2875 VanDerWaalsContact C-N 3.29Å; Q2873-I2875 PolarHBondContact O-N 2.99Å; I2875-L2880 HydrophobicContact CG2-CD1 3.99Å; I2875-L2880 HydrophobicContact CG2-CD2 4.12Å; I2875-L2880 HydrophobicContact CG2-CG 3.74Å; I2875-K2924 PolarHBondContact O-NZ 3.05Å; I2875-A2965 HydrophobicContact CD1-CB 4.45Å; I2875-A2965 HydrophobicContact CG2-CB 3.71Å; I2875-P2968 HydrophobicContact CD1-CB 4.03Å; I2875-P2968 HydrophobicContact CD1-CG 4.46Å; I2875-P2968 HydrophobicContact CG1-CB 4.05Å; I2875-P2968 HydrophobicContact CG1-CG 4.06Å; I2875-L2969 HydrophobicContact CD1-CD2 4.22Å; I2875-L2969 HydrophobicContact CD1-CG 4.11Å
2876R73.1Confident74.1Confident187.2 Ų187.275.6 Ų75.671%0.70639%0.386SS*.  trans-73.3140.3173.1-68.7-177.1178.5159.8-0.4110.5S2874 D2878 S2879 L2880S2874-R2876 PolarHBondContact O-N 3.1Å; R2876-D2878 PolarHBondContact O-N 3.27Å; R2876-S2879 WeakPolarHBondContact O-CB 3.23Å; R2876-S2879 PolarHBondContact O-N 3.16Å; R2876-S2879 VanDerWaalsContact O-N 3.12Å; R2876-L2880 PolarHBondContact O-N 3.34Å
2877A70.2Confident74.2Confident75.6 Ų75.680.7 Ų80.763%0.62540%0.402SS*.Hα-helixtrans-57.7-34.4177.800000111.9S2879 L2880 S2881A2877-S2879 VanDerWaalsContact C-N 3.32Å; A2877-S2879 PolarHBondContact O-N 3.04Å; A2877-L2880 PolarHBondContact O-N 3.05Å; A2877-S2881 PolarHBondContact O-N 3.18Å
2878D72.6Confident74.1Confident108.6 Ų108.678.7 Ų78.758%0.58141%0.405SS*.Hα-helixtrans-60.2-42.4177.4-51.5-25.3000111.6R2876 L2880 S2881 E2882R2876-D2878 PolarHBondContact O-N 3.27Å; D2878-L2880 VanDerWaalsContact C-N 3.32Å; D2878-L2880 PolarHBondContact O-N 3.05Å; D2878-S2881 WeakPolarHBondContact CA-OG 3.3Å; D2878-S2881 CarbonylContact O-C 3.56Å; D2878-S2881 WeakPolarHBondContact O-CA 3.39Å; D2878-S2881 WeakPolarHBondContact O-CB 3.35Å; D2878-S2881 PolarHBondContact O-N 2.95Å; D2878-S2881 VanDerWaalsContact O-N 3.09Å; D2878-S2881 PolarHBondContact O-OG 3.24Å; D2878-E2882 WeakPolarHBondContact O-CG 3.42Å; D2878-E2882 PolarHBondContact O-N 3.11Å
2879S73.8Confident74.1Confident18.2 Ų18.279.7 Ų79.713%0.12741%0.41CS..Hα-helixtrans-67.5-30179.5-52.80000113.2R2876 A2877 I2883R2876-S2879 WeakPolarHBondContact O-CB 3.23Å; R2876-S2879 PolarHBondContact O-N 3.16Å; R2876-S2879 VanDerWaalsContact O-N 3.12Å; A2877-S2879 VanDerWaalsContact C-N 3.32Å; A2877-S2879 PolarHBondContact O-N 3.04Å; S2879-I2883 WeakPolarHBondContact O-CG1 3.12Å; S2879-I2883 PolarHBondContact O-N 3.23Å
2880L72.3Confident74.4Confident32.2 Ų32.279 Ų7917%0.16941%0.413CS..Hα-helixtrans-74.7-35.1171.3-67.8170.2000111.1I2875 R2876 A2877 D2878 E2882 I2883 R2884 L2918 A2965I2875-L2880 HydrophobicContact CG2-CD1 3.99Å; I2875-L2880 HydrophobicContact CG2-CD2 4.12Å; I2875-L2880 HydrophobicContact CG2-CG 3.74Å; R2876-L2880 PolarHBondContact O-N 3.34Å; A2877-L2880 PolarHBondContact O-N 3.05Å; D2878-L2880 VanDerWaalsContact C-N 3.32Å; D2878-L2880 PolarHBondContact O-N 3.05Å; L2880-E2882 VanDerWaalsContact C-N 3.33Å; L2880-I2883 PolarHBondContact O-N 3.06Å; L2880-R2884 PolarHBondContact O-N 3.1Å; L2880-R2884 VanDerWaalsContact O-N 3.15Å; L2880-L2918 HydrophobicContact CD2-CD2 4.06Å; L2880-A2965 HydrophobicContact CD2-CB 4.17Å
2881S72.5Confident74.6Confident52.4 Ų52.480.7 Ų80.737%0.36642%0.421SS..Hα-helixtrans-67.6-32.3175.184.60000112.6A2877 D2878 R2884 S2885A2877-S2881 PolarHBondContact O-N 3.18Å; D2878-S2881 WeakPolarHBondContact CA-OG 3.3Å; D2878-S2881 CarbonylContact O-C 3.56Å; D2878-S2881 WeakPolarHBondContact O-CA 3.39Å; D2878-S2881 WeakPolarHBondContact O-CB 3.35Å; D2878-S2881 PolarHBondContact O-N 2.95Å; D2878-S2881 VanDerWaalsContact O-N 3.09Å; D2878-S2881 PolarHBondContact O-OG 3.24Å; S2881-R2884 WeakPolarHBondContact O-CB 3.34Å; S2881-R2884 PolarHBondContact O-N 3.15Å; S2881-S2885 PolarHBondContact O-N 3.2Å; S2881-S2885 VanDerWaalsContact O-N 3.1Å; S2881-S2885 PolarHBondContact O-OG 3.25Å
2882E77.9Confident75Confident111.4 Ų111.479.3 Ų79.352%0.52142%0.415SS..Hα-helixtrans-60.8-49.4171.9-77175.4-169.100111.2D2878 L2880 R2884 S2885 L2886D2878-E2882 WeakPolarHBondContact O-CG 3.42Å; D2878-E2882 PolarHBondContact O-N 3.11Å; L2880-E2882 VanDerWaalsContact C-N 3.33Å; E2882-R2884 VanDerWaalsContact C-N 3.28Å; E2882-R2884 PolarHBondContact O-N 3.09Å; E2882-S2885 PolarHBondContact O-N 3.27Å; E2882-S2885 VanDerWaalsContact O-N 3.1Å; E2882-S2885 PolarHBondContact O-OG 2.94Å; E2882-L2886 WeakPolarHBondContact O-CG 3.25Å; E2882-L2886 PolarHBondContact O-N 3.28Å
2883I76.3Confident75.5Confident4 Ų479.4 Ų79.42%0.02142%0.415CS..Hα-helixtrans-61-39.3177.5-62.9177.2000110.8S2879 L2880 S2885 L2886 I2893 L2897 W2911 L2918 S2963 A2965S2879-I2883 WeakPolarHBondContact O-CG1 3.12Å; S2879-I2883 PolarHBondContact O-N 3.23Å; L2880-I2883 PolarHBondContact O-N 3.06Å; I2883-S2885 VanDerWaalsContact C-N 3.29Å; I2883-S2885 PolarHBondContact O-N 3.11Å; I2883-L2886 PolarHBondContact O-N 3.15Å; I2883-I2893 HydrophobicContact CD1-CD1 4.36Å; I2883-I2893 HydrophobicContact CD1-CG2 4.29Å; I2883-I2893 HydrophobicContact CG1-CD1 4.14Å; I2883-I2893 HydrophobicContact CG2-CG2 3.75Å; I2883-L2897 HydrophobicContact CG2-CD1 4.33Å; I2883-W2911 HydrophobicContact CG2-CH2 4.06Å; I2883-W2911 WeakPolarHBondContact O-CH2 3.36Å; I2883-L2918 HydrophobicContact CB-CD1 4.42Å; I2883-L2918 HydrophobicContact CG2-CD1 3.73Å; I2883-S2963 WeakPolarHBondContact CD1-OG 3.44Å; I2883-A2965 HydrophobicContact CD1-CB 4.07Å
2884R75.2Confident76Confident121.4 Ų121.479.2 Ų79.246%0.45841%0.409SS..Hα-helixtrans-65.1-31.2179.2-170.2-17771.9172.61.6113.1L2880 S2881 E2882 L2886 R2915L2880-R2884 PolarHBondContact O-N 3.1Å; L2880-R2884 VanDerWaalsContact O-N 3.15Å; S2881-R2884 WeakPolarHBondContact O-CB 3.34Å; S2881-R2884 PolarHBondContact O-N 3.15Å; E2882-R2884 VanDerWaalsContact C-N 3.28Å; E2882-R2884 PolarHBondContact O-N 3.09Å; R2884-L2886 VanDerWaalsContact C-N 3.32Å; R2884-L2886 PolarHBondContact O-N 2.71Å; R2884-R2915 PolarHBondContact O-NE 2.82Å; R2884-R2915 PolarHBondContact O-NH2 3.26Å
2885S76.7Confident76.5Confident93.8 Ų93.875.4 Ų75.466%0.65638%0.382SS*.Hα-helixtrans-80.4-13-176.671.60000113.8S2881 E2882 I2883 R2887S2881-S2885 PolarHBondContact O-N 3.2Å; S2881-S2885 VanDerWaalsContact O-N 3.1Å; S2881-S2885 PolarHBondContact O-OG 3.25Å; E2882-S2885 PolarHBondContact O-N 3.27Å; E2882-S2885 VanDerWaalsContact O-N 3.1Å; E2882-S2885 PolarHBondContact O-OG 2.94Å; I2883-S2885 VanDerWaalsContact C-N 3.29Å; I2883-S2885 PolarHBondContact O-N 3.11Å; S2885-R2887 PolarHBondContact O-N 2.9Å
2886L75.9Confident77.1Confident62.6 Ų62.674.9 Ų74.933%0.32838%0.38SS..  trans-65.3131179.3-64.7171.8000111.6E2882 I2883 R2884 A2888 P2890 I2893 W2911E2882-L2886 WeakPolarHBondContact O-CG 3.25Å; E2882-L2886 PolarHBondContact O-N 3.28Å; I2883-L2886 PolarHBondContact O-N 3.15Å; R2884-L2886 VanDerWaalsContact C-N 3.32Å; R2884-L2886 PolarHBondContact O-N 2.71Å; L2886-A2888 VanDerWaalsContact C-N 3.27Å; L2886-A2888 PolarHBondContact O-N 2.99Å; L2886-P2890 HydrophobicContact CD1-CG 4.46Å; L2886-I2893 HydrophobicContact CD1-CD1 4.35Å; L2886-W2911 HydrophobicContact CB-CZ2 4.43Å; L2886-W2911 WeakPolarHBondContact O-CZ2 3.34Å
2887R75.7Confident77.6Confident247.8 Ų247.866.2 Ų66.294%0.93535%0.347SS*.SBendtrans-62-36.8175.8-170.2176.4-178.6173.50.6111.6S2885S2885-R2887 PolarHBondContact O-N 2.9Å
2888A72.7Confident78.3Confident69.8 Ų69.864.3 Ų64.358%0.57733%0.325SS*.SBendtrans-143.9139.9173.500000109.6L2886L2886-A2888 VanDerWaalsContact C-N 3.27Å; L2886-A2888 PolarHBondContact O-N 2.99Å
2889P73.6Confident78.8Confident25 Ų2559.2 Ų59.216%0.16230%0.298CS..  trans-77.2137.6-178.730.5-33.2000111.5R2894 W2911P2889-R2894 HydrophobicContact CB-CB 4.41Å; P2889-R2894 HydrophobicContact CG-CB 4.27Å; P2889-W2911 HydrophobicContact CB-CD2 4.16Å; P2889-W2911 HydrophobicContact CB-CE3 3.75Å; P2889-W2911 HydrophobicContact CB-CH2 3.78Å; P2889-W2911 HydrophobicContact CB-CZ2 4.17Å; P2889-W2911 HydrophobicContact CB-CZ3 3.56Å; P2889-W2911 VanDerWaalsContact CB-CZ3 3.48Å; P2889-W2911 VanDerWaalsContact CD-CD2 3.49Å; P2889-W2911 HydrophobicContact CG-CB 4.46Å; P2889-W2911 HydrophobicContact CG-CD2 3.61Å; P2889-W2911 HydrophobicContact CG-CE3 3.46Å; P2889-W2911 VanDerWaalsContact CG-CE3 3.43Å; P2889-W2911 HydrophobicContact CG-CG 4.1Å; P2889-W2911 HydrophobicContact CG-CH2 4.32Å; P2889-W2911 HydrophobicContact CG-CZ2 4.42Å; P2889-W2911 HydrophobicContact CG-CZ3 3.86Å
2890P80.1Confident79.3Confident54.2 Ų54.258.3 Ų58.335%0.35229%0.292SS..  trans-54.1146.7162.4-23.331.7000111.4L2886 T2892 I2893 R2894L2886-P2890 HydrophobicContact CD1-CG 4.46Å; P2890-T2892 VanDerWaalsContact C-N 3.28Å; P2890-T2892 PolarHBondContact O-N 3.23Å; P2890-I2893 HydrophobicContact CB-CD1 4.46Å; P2890-I2893 HydrophobicContact CB-CG1 4.31Å; P2890-I2893 HydrophobicContact CG-CD1 4.05Å; P2890-I2893 HydrophobicContact CG-CG1 4.32Å; P2890-I2893 PolarHBondContact O-N 3Å; P2890-I2893 VanDerWaalsContact O-N 3.1Å; P2890-R2894 PolarHBondContact O-N 3.24Å
2891E81.6Confident79.8Confident150.2 Ų150.256.8 Ų56.870%0.70228%0.284SS*.Hα-helixtrans-54.3-41.9-176.7-68.3-171.6150.300112.9I2893 R2894 D2895E2891-I2893 PolarHBondContact O-N 3.22Å; E2891-R2894 WeakPolarHBondContact O-CB 3.4Å; E2891-R2894 PolarHBondContact O-N 3.03Å; E2891-D2895 WeakPolarHBondContact O-CB 3.48Å; E2891-D2895 PolarHBondContact O-N 3.05Å
2892T83.5Confident80.3Confident31.8 Ų31.854.8 Ų54.820%0.19527%0.269CS..Hα-helixtrans-59.2-43177.445.90000113.3P2890 D2895 I2896 A2962P2890-T2892 VanDerWaalsContact C-N 3.28Å; P2890-T2892 PolarHBondContact O-N 3.23Å; T2892-D2895 PolarHBondContact O-N 2.86Å; T2892-I2896 WeakPolarHBondContact O-CD1 3.42Å; T2892-I2896 VanDerWaalsContact O-CG1 3.29Å; T2892-I2896 WeakPolarHBondContact O-CG1 3.4Å; T2892-I2896 PolarHBondContact O-N 2.89Å; T2892-I2896 VanDerWaalsContact O-N 3.14Å; T2892-A2962 HydrophobicContact CG2-CB 4.48Å; T2892-A2962 WeakPolarHBondContact OG1-CB 3.24Å
2893I83Confident80.5Confident3 Ų349.9 Ų49.92%0.01525%0.246CC..Hα-helixtrans-69.1-41.3178.2-60.8-173000110.3I2883 L2886 P2890 E2891 D2895 I2896 L2897 A2962 A2966I2883-I2893 HydrophobicContact CD1-CD1 4.36Å; I2883-I2893 HydrophobicContact CD1-CG2 4.29Å; I2883-I2893 HydrophobicContact CG1-CD1 4.14Å; I2883-I2893 HydrophobicContact CG2-CG2 3.75Å; L2886-I2893 HydrophobicContact CD1-CD1 4.35Å; P2890-I2893 HydrophobicContact CB-CD1 4.46Å; P2890-I2893 HydrophobicContact CB-CG1 4.31Å; P2890-I2893 HydrophobicContact CG-CD1 4.05Å; P2890-I2893 HydrophobicContact CG-CG1 4.32Å; P2890-I2893 PolarHBondContact O-N 3Å; P2890-I2893 VanDerWaalsContact O-N 3.1Å; E2891-I2893 PolarHBondContact O-N 3.22Å; I2893-D2895 VanDerWaalsContact C-N 3.32Å; I2893-D2895 PolarHBondContact O-N 3.19Å; I2893-I2896 PolarHBondContact O-N 3.23Å; I2893-L2897 HydrophobicContact CG2-CD1 3.69Å; I2893-L2897 HydrophobicContact CG2-CG 4.28Å; I2893-L2897 WeakPolarHBondContact O-CB 3.35Å; I2893-L2897 VanDerWaalsContact O-CG 3.3Å; I2893-L2897 WeakPolarHBondContact O-CG 3.42Å; I2893-L2897 PolarHBondContact O-N 3.3Å; I2893-A2962 HydrophobicContact CD1-CB 4.43Å; I2893-A2962 HydrophobicContact CG1-CB 3.97Å; I2893-A2966 HydrophobicContact CG1-CB 4.43Å
2894R82.6Confident80.6Confident118.6 Ų118.651.6 Ų51.645%0.44825%0.254SS..Hα-helixtrans-58.4-46.5176.9-179.3-177-147.1169.6-2.5110.9P2889 P2890 E2891 I2896 L2897 E2898 M2914P2889-R2894 HydrophobicContact CB-CB 4.41Å; P2889-R2894 HydrophobicContact CG-CB 4.27Å; P2890-R2894 PolarHBondContact O-N 3.24Å; E2891-R2894 WeakPolarHBondContact O-CB 3.4Å; E2891-R2894 PolarHBondContact O-N 3.03Å; R2894-I2896 PolarHBondContact O-N 2.93Å; R2894-L2897 PolarHBondContact O-N 3.15Å; R2894-E2898 VanDerWaalsContact O-CB 3.25Å; R2894-E2898 WeakPolarHBondContact O-CB 3.25Å; R2894-E2898 PolarHBondContact O-N 3.03Å; R2894-M2914 HydrophobicContact CG-CE 3.9Å; R2894-M2914 HydrophobicContact CG-SD 4.28Å; R2894-M2914 VanDerWaalsContact O-CE 3.29Å; R2894-M2914 WeakPolarHBondContact O-CE 3.33Å
2895D85.2Confident80.6Confident4.4 Ų4.447.8 Ų47.82%0.02425%0.253CS..Hα-helixtrans-66-42.9-177-61.7-22.4000112.2E2891 T2892 I2893 E2898 A2899 L2946 K2950 S2953 F2954E2891-D2895 WeakPolarHBondContact O-CB 3.48Å; E2891-D2895 PolarHBondContact O-N 3.05Å; T2892-D2895 PolarHBondContact O-N 2.86Å; I2893-D2895 VanDerWaalsContact C-N 3.32Å; I2893-D2895 PolarHBondContact O-N 3.19Å; D2895-E2898 PolarHBondContact O-N 3.18Å; D2895-A2899 PolarHBondContact O-N 3.22Å; D2895-A2899 VanDerWaalsContact O-N 3.12Å; D2895-L2946 HydrophobicContact CB-CD2 4.38Å; D2895-L2946 WeakPolarHBondContact O-CD2 3.25Å; D2895-K2950 HydrophobicContact CB-CB 4.4Å; D2895-K2950 HydrophobicContact CB-CD 4.26Å; D2895-K2950 VanDerWaalsContact CG-CD 3.4Å; D2895-K2950 VanDerWaalsContact CG-NZ 3.3Å; D2895-K2950 VanDerWaalsContact OD1-CD 3.25Å; D2895-K2950 WeakPolarHBondContact OD1-CD 3.27Å; D2895-K2950 VanDerWaalsContact OD1-CE 3.23Å; D2895-K2950 WeakPolarHBondContact OD1-CE 3.3Å; D2895-K2950 IonicContact OD1-NZ 2.79Å; D2895-K2950 PolarHBondContact OD1-NZ 3.12Å; D2895-K2950 WeakPolarHBondContact OD2-CB 3.44Å; D2895-K2950 VanDerWaalsContact OD2-CD 3.29Å; D2895-K2950 WeakPolarHBondContact OD2-CD 3.25Å; D2895-K2950 WeakPolarHBondContact OD2-CG 3.44Å; D2895-K2950 IonicContact OD2-NZ 3.26Å; D2895-K2950 PolarHBondContact OD2-NZ 2.83Å; D2895-S2953 VanDerWaalsContact OD2-CB 3.27Å; D2895-S2953 WeakPolarHBondContact OD2-CB 3.39Å; D2895-S2953 PolarHBondContact OD2-OG 3.28Å; D2895-F2954 HydrophobicContact CB-CE2 4.36Å; D2895-F2954 HydrophobicContact CB-CZ 4.44Å; D2895-F2954 WeakPolarHBondContact O-CZ 3.29Å
2896I85.4Confident80.6Confident1.2 Ų1.245.7 Ų45.71%0.00623%0.234CC..Hα-helixtrans-66.2-44.8178.2-65.3162.8000110.6T2892 I2893 R2894 E2898 A2899 V2900 S2953 F2954 A2959 A2966 L2969 A2970T2892-I2896 WeakPolarHBondContact O-CD1 3.42Å; T2892-I2896 VanDerWaalsContact O-CG1 3.29Å; T2892-I2896 WeakPolarHBondContact O-CG1 3.4Å; T2892-I2896 PolarHBondContact O-N 2.89Å; T2892-I2896 VanDerWaalsContact O-N 3.14Å; I2893-I2896 PolarHBondContact O-N 3.23Å; R2894-I2896 PolarHBondContact O-N 2.93Å; I2896-E2898 VanDerWaalsContact C-N 3.32Å; I2896-E2898 PolarHBondContact O-N 3.12Å; I2896-A2899 PolarHBondContact O-N 3.27Å; I2896-V2900 WeakPolarHBondContact O-CG2 3.37Å; I2896-V2900 PolarHBondContact O-N 3.19Å; I2896-S2953 WeakPolarHBondContact CD1-O 3.26Å; I2896-F2954 HydrophobicContact CB-CE1 4.48Å; I2896-F2954 HydrophobicContact CG1-CD1 4.23Å; I2896-F2954 HydrophobicContact CG1-CE1 4.12Å; I2896-A2959 HydrophobicContact CD1-CB 3.69Å; I2896-A2966 HydrophobicContact CD1-CB 3.79Å; I2896-L2969 HydrophobicContact CG2-CB 3.59Å; I2896-L2969 HydrophobicContact CG2-CD1 4.48Å; I2896-A2970 HydrophobicContact CD1-CB 4.07Å; I2896-A2970 HydrophobicContact CG1-CB 4.16Å; I2896-A2970 HydrophobicContact CG2-CB 4.4Å
2897L82.9Confident80.6Confident4.4 Ų4.447.8 Ų47.82%0.02324%0.238CC..Hα-helixtrans-67.7-34.1177.9-71.6173.8000112.2I2883 I2893 R2894 A2899 V2900 L2901 W2911 M2914 L2918 L2969I2883-L2897 HydrophobicContact CG2-CD1 4.33Å; I2893-L2897 HydrophobicContact CG2-CD1 3.69Å; I2893-L2897 HydrophobicContact CG2-CG 4.28Å; I2893-L2897 WeakPolarHBondContact O-CB 3.35Å; I2893-L2897 VanDerWaalsContact O-CG 3.3Å; I2893-L2897 WeakPolarHBondContact O-CG 3.42Å; I2893-L2897 PolarHBondContact O-N 3.3Å; R2894-L2897 PolarHBondContact O-N 3.15Å; L2897-A2899 VanDerWaalsContact C-N 3.32Å; L2897-A2899 PolarHBondContact O-N 3.27Å; L2897-V2900 PolarHBondContact O-N 3Å; L2897-L2901 WeakPolarHBondContact O-CB 3.37Å; L2897-L2901 VanDerWaalsContact O-CG 3.25Å; L2897-L2901 WeakPolarHBondContact O-CG 3.33Å; L2897-L2901 PolarHBondContact O-N 3.06Å; L2897-W2911 HydrophobicContact CD1-CZ3 4.19Å; L2897-M2914 HydrophobicContact CB-CE 4.28Å; L2897-M2914 HydrophobicContact CB-CG 4.15Å; L2897-M2914 HydrophobicContact CB-SD 3.96Å; L2897-M2914 HydrophobicContact CD1-CB 4.35Å; L2897-M2914 HydrophobicContact CD1-CG 4.46Å; L2897-M2914 HydrophobicContact CD1-SD 4.32Å; L2897-L2918 HydrophobicContact CD1-CD1 3.92Å; L2897-L2918 HydrophobicContact CD2-CD1 4.45Å; L2897-L2918 HydrophobicContact CD2-CD2 4.21Å; L2897-L2918 HydrophobicContact CD2-CG 4.48Å; L2897-L2969 HydrophobicContact CD2-CD1 4.35Å
2898E84.5Confident80.7Confident36 Ų3640.3 Ų40.317%0.16822%0.216CC..Hα-helixtrans-59.6-44.9172.9-172.3176.1173.300110.7R2894 D2895 I2896 L2901 L2902 C2909 M2914 L2946 R2949 K2950R2894-E2898 VanDerWaalsContact O-CB 3.25Å; R2894-E2898 WeakPolarHBondContact O-CB 3.25Å; R2894-E2898 PolarHBondContact O-N 3.03Å; D2895-E2898 PolarHBondContact O-N 3.18Å; I2896-E2898 VanDerWaalsContact C-N 3.32Å; I2896-E2898 PolarHBondContact O-N 3.12Å; E2898-L2901 PolarHBondContact O-N 3.12Å; E2898-L2902 HydrophobicContact CG-CD1 4.41Å; E2898-L2902 WeakPolarHBondContact O-CB 3.37Å; E2898-L2902 VanDerWaalsContact O-CG 3.29Å; E2898-L2902 WeakPolarHBondContact O-CG 3.39Å; E2898-L2902 PolarHBondContact O-N 3.17Å; E2898-C2909 HydrophobicContact CG-CB 3.99Å; E2898-C2909 VanDerWaalsContact CG-SG 3.58Å; E2898-M2914 HydrophobicContact CB-CE 3.96Å; E2898-L2946 HydrophobicContact CB-CD1 3.99Å; E2898-L2946 VanDerWaalsContact CD-CD1 3.4Å; E2898-L2946 HydrophobicContact CG-CD1 3.58Å; E2898-L2946 VanDerWaalsContact CG-CD1 3.45Å; E2898-L2946 HydrophobicContact CG-CD2 4.31Å; E2898-L2946 WeakPolarHBondContact OE1-CD1 3.41Å; E2898-R2949 IonicContact OE1-NH2 3.51Å; E2898-K2950 IonicContact OE2-NZ 3.17Å; E2898-K2950 PolarHBondContact OE2-NZ 3.39Å
2899A83.1Confident80.6Confident0 Ų038.9 Ų38.90%020%0.202CC..Hα-helixtrans-66.6-40175.900000113.3D2895 I2896 L2897 L2902 F2903 V2943 L2946 F2954 V2973D2895-A2899 PolarHBondContact O-N 3.22Å; D2895-A2899 VanDerWaalsContact O-N 3.12Å; I2896-A2899 PolarHBondContact O-N 3.27Å; L2897-A2899 VanDerWaalsContact C-N 3.32Å; L2897-A2899 PolarHBondContact O-N 3.27Å; A2899-L2902 PolarHBondContact O-N 3.04Å; A2899-F2903 PolarHBondContact O-N 3.1Å; A2899-F2903 VanDerWaalsContact O-N 3.14Å; A2899-V2943 HydrophobicContact CB-CG1 4.08Å; A2899-V2943 HydrophobicContact CB-CG2 4.46Å; A2899-L2946 HydrophobicContact CB-CD1 4.44Å; A2899-L2946 HydrophobicContact CB-CD2 4.13Å; A2899-F2954 HydrophobicContact CB-CE1 3.72Å; A2899-F2954 HydrophobicContact CB-CZ 3.72Å; A2899-V2973 HydrophobicContact CB-CB 4.45Å; A2899-V2973 HydrophobicContact CB-CG1 3.74Å; A2899-V2973 HydrophobicContact CB-CG2 3.93Å
2900V84.7Confident80.9Confident0.4 Ų0.439.8 Ų39.80%0.00221%0.209CC..Hα-helixtrans-63.2-44.6175.71730000111I2896 L2897 L2902 F2903 M2904 F2917 I2927 L2969 W2972 V2973I2896-V2900 WeakPolarHBondContact O-CG2 3.37Å; I2896-V2900 PolarHBondContact O-N 3.19Å; L2897-V2900 PolarHBondContact O-N 3Å; V2900-L2902 PolarHBondContact O-N 3.26Å; V2900-F2903 PolarHBondContact O-N 3.21Å; V2900-M2904 HydrophobicContact CG1-CG 4.35Å; V2900-M2904 HydrophobicContact CG1-SD 4.44Å; V2900-M2904 WeakPolarHBondContact O-CB 3.37Å; V2900-M2904 VanDerWaalsContact O-CG 3.26Å; V2900-M2904 WeakPolarHBondContact O-CG 3.36Å; V2900-M2904 PolarHBondContact O-N 3.05Å; V2900-F2917 HydrophobicContact CG1-CE1 3.97Å; V2900-F2917 HydrophobicContact CG1-CZ 4.27Å; V2900-I2927 HydrophobicContact CG1-CD1 4.33Å; V2900-I2927 HydrophobicContact CG1-CG1 4.44Å; V2900-L2969 HydrophobicContact CG2-CB 4.36Å; V2900-L2969 HydrophobicContact CG2-CD2 4.4Å; V2900-W2972 HydrophobicContact CB-CZ3 4.46Å; V2900-W2972 HydrophobicContact CG1-CZ3 4.37Å; V2900-W2972 HydrophobicContact CG2-CE3 4.31Å; V2900-W2972 HydrophobicContact CG2-CZ3 4.27Å; V2900-V2973 HydrophobicContact CG2-CG2 3.74Å
2901L83.1Confident80.9Confident1 Ų139.4 Ų39.41%0.00520%0.2CC..Hα-helixtrans-63.4-41.9178.5-73.2173.9000112.2L2897 E2898 F2903 M2904 G2905 I2906 M2914 F2917L2897-L2901 WeakPolarHBondContact O-CB 3.37Å; L2897-L2901 VanDerWaalsContact O-CG 3.25Å; L2897-L2901 WeakPolarHBondContact O-CG 3.33Å; L2897-L2901 PolarHBondContact O-N 3.06Å; E2898-L2901 PolarHBondContact O-N 3.12Å; L2901-F2903 VanDerWaalsContact C-N 3.33Å; L2901-F2903 PolarHBondContact O-N 3.09Å; L2901-M2904 CarbonylContact O-C 3.53Å; L2901-M2904 WeakPolarHBondContact O-CA 3.38Å; L2901-M2904 PolarHBondContact O-N 3.09Å; L2901-M2904 VanDerWaalsContact O-N 3.1Å; L2901-G2905 PolarHBondContact O-N 3.02Å; L2901-G2905 VanDerWaalsContact O-N 3.07Å; L2901-I2906 CarbonylContact C-O 3.42Å; L2901-I2906 HydrophobicContact CB-CB 4.27Å; L2901-I2906 WeakPolarHBondContact CB-O 3.45Å; L2901-I2906 HydrophobicContact CD2-CB 3.97Å; L2901-I2906 HydrophobicContact CD2-CD1 3.82Å; L2901-I2906 HydrophobicContact CD2-CG1 4.46Å; L2901-I2906 HydrophobicContact CD2-CG2 4.08Å; L2901-I2906 PolarHBondContact O-N 3.1Å; L2901-M2914 HydrophobicContact CD1-CB 4.45Å; L2901-M2914 HydrophobicContact CD1-CE 4.45Å; L2901-M2914 HydrophobicContact CD1-CG 3.58Å; L2901-F2917 HydrophobicContact CD2-CB 3.67Å; L2901-F2917 HydrophobicContact CD2-CD1 3.91Å; L2901-F2917 HydrophobicContact CD2-CD2 3.89Å; L2901-F2917 HydrophobicContact CD2-CE1 4.39Å; L2901-F2917 HydrophobicContact CD2-CE2 4.45Å; L2901-F2917 HydrophobicContact CD2-CG 3.54Å; L2901-F2917 VanDerWaalsContact CD2-CG 3.47Å
2902L82.3Confident80.9Confident9.2 Ų9.235.3 Ų35.35%0.04819%0.192CC..Hα-helixtrans-61.7-39.2176.3-76.3170.5000112.4E2898 A2899 V2900 M2904 G2905 Y2907 S2939 K2942 V2943 L2946E2898-L2902 HydrophobicContact CG-CD1 4.41Å; E2898-L2902 WeakPolarHBondContact O-CB 3.37Å; E2898-L2902 VanDerWaalsContact O-CG 3.29Å; E2898-L2902 WeakPolarHBondContact O-CG 3.39Å; E2898-L2902 PolarHBondContact O-N 3.17Å; A2899-L2902 PolarHBondContact O-N 3.04Å; V2900-L2902 PolarHBondContact O-N 3.26Å; L2902-M2904 VanDerWaalsContact C-N 3.3Å; L2902-M2904 PolarHBondContact O-N 3.16Å; L2902-G2905 PolarHBondContact O-N 3.17Å; L2902-G2905 VanDerWaalsContact O-N 3.11Å; L2902-Y2907 HydrophobicContact CD2-CD1 3.87Å; L2902-Y2907 HydrophobicContact CD2-CE1 4.32Å; L2902-S2939 WeakPolarHBondContact O-CB 3.39Å; L2902-S2939 PolarHBondContact O-OG 3.11Å; L2902-K2942 HydrophobicContact CD1-CB 4.21Å; L2902-K2942 HydrophobicContact CD2-CB 4.42Å; L2902-K2942 HydrophobicContact CD2-CD 4.22Å; L2902-V2943 HydrophobicContact CB-CG2 3.46Å; L2902-V2943 VanDerWaalsContact CB-CG2 3.44Å; L2902-V2943 HydrophobicContact CD1-CG2 3.88Å; L2902-V2943 HydrophobicContact CG-CG2 4.33Å; L2902-L2946 HydrophobicContact CD1-CD1 3.77Å
2903F82.8Confident80.8Confident8.8 Ų8.834.5 Ų34.54%0.03919%0.188CC..Hα-helixtrans-69.3-34172.3-78.4-26.5000113.1A2899 V2900 L2901 G2905 F2930 I2935 L2940 V2943 W2972 V2973 N2976 M2977A2899-F2903 PolarHBondContact O-N 3.1Å; A2899-F2903 VanDerWaalsContact O-N 3.14Å; V2900-F2903 PolarHBondContact O-N 3.21Å; L2901-F2903 VanDerWaalsContact C-N 3.33Å; L2901-F2903 PolarHBondContact O-N 3.09Å; F2903-G2905 VanDerWaalsContact C-N 3.28Å; F2903-G2905 PolarHBondContact O-N 3Å; F2903-F2930 HydrophobicContact CB-CE1 4.36Å; F2903-F2930 HydrophobicContact CB-CZ 4.17Å; F2903-F2930 VanDerWaalsContact O-CE2 3.27Å; F2903-F2930 WeakPolarHBondContact O-CE2 3.37Å; F2903-F2930 WeakPolarHBondContact O-CZ 3.33Å; F2903-I2935 HydrophobicContact CD1-CD1 4.29Å; F2903-I2935 HydrophobicContact CD1-CG1 4.37Å; F2903-I2935 HydrophobicContact CD1-CG2 4.14Å; F2903-I2935 HydrophobicContact CE1-CD1 4.28Å; F2903-I2935 HydrophobicContact CE1-CG2 4.05Å; F2903-I2935 HydrophobicContact CZ-CD1 4.49Å; F2903-L2940 HydrophobicContact CE1-CD1 4.2Å; F2903-L2940 HydrophobicContact CZ-CD1 4.44Å; F2903-V2943 HydrophobicContact CD1-CB 4.35Å; F2903-V2943 HydrophobicContact CD1-CG1 4.44Å; F2903-V2943 HydrophobicContact CD1-CG2 3.88Å; F2903-V2943 HydrophobicContact CD2-CG1 4.44Å; F2903-V2943 HydrophobicContact CE1-CB 3.79Å; F2903-V2943 HydrophobicContact CE1-CG1 3.94Å; F2903-V2943 HydrophobicContact CE1-CG2 3.79Å; F2903-V2943 HydrophobicContact CE2-CB 4.45Å; F2903-V2943 HydrophobicContact CE2-CG1 3.79Å; F2903-V2943 HydrophobicContact CE2-CG2 4.46Å; F2903-V2943 HydrophobicContact CG-CG2 4.33Å; F2903-V2943 HydrophobicContact CZ-CB 3.86Å; F2903-V2943 HydrophobicContact CZ-CG1 3.48Å; F2903-V2943 VanDerWaalsContact CZ-CG1 3.45Å; F2903-V2943 HydrophobicContact CZ-CG2 4.16Å; F2903-W2972 HydrophobicContact CB-CH2 4.06Å; F2903-W2972 HydrophobicContact CB-CZ3 4.15Å; F2903-W2972 HydrophobicContact CD2-CH2 4.32Å; F2903-W2972 AromaticContact CD2-CZ3 3.83Å; F2903-W2972 HydrophobicContact CD2-CZ3 3.83Å; F2903-W2972 HydrophobicContact CG-CZ3 4.43Å; F2903-V2973 HydrophobicContact CD2-CB 4.49Å; F2903-V2973 HydrophobicContact CD2-CG1 4.33Å; F2903-V2973 HydrophobicContact CD2-CG2 4.38Å; F2903-V2973 HydrophobicContact CE2-CB 4.24Å; F2903-V2973 HydrophobicContact CE2-CG1 3.74Å; F2903-V2973 HydrophobicContact CE2-CG2 4.45Å; F2903-V2973 VanDerWaalsContact CE2-O 3.31Å; F2903-V2973 WeakPolarHBondContact CE2-O 3.4Å; F2903-N2976 HydrophobicContact CD2-CB 4.35Å; F2903-N2976 HydrophobicContact CE2-CB 4.1Å; F2903-N2976 HydrophobicContact CZ-CB 4.36Å; F2903-M2977 HydrophobicContact CE2-CB 4.4Å; F2903-M2977 HydrophobicContact CZ-CB 3.94Å; F2903-M2977 HydrophobicContact CZ-CG 4.39Å
2904M78.1Confident80.7Confident40.2 Ų40.234.4 Ų34.420%0.19819%0.188CC..THydrogen-bonded Turntrans-76.6-1.1175-67.8-77.1171.500114.5V2900 L2901 L2902 I2906 F2917 E2926 I2927 F2930 W2972V2900-M2904 HydrophobicContact CG1-CG 4.35Å; V2900-M2904 HydrophobicContact CG1-SD 4.44Å; V2900-M2904 WeakPolarHBondContact O-CB 3.37Å; V2900-M2904 VanDerWaalsContact O-CG 3.26Å; V2900-M2904 WeakPolarHBondContact O-CG 3.36Å; V2900-M2904 PolarHBondContact O-N 3.05Å; L2901-M2904 CarbonylContact O-C 3.53Å; L2901-M2904 WeakPolarHBondContact O-CA 3.38Å; L2901-M2904 PolarHBondContact O-N 3.09Å; L2901-M2904 VanDerWaalsContact O-N 3.1Å; L2902-M2904 VanDerWaalsContact C-N 3.3Å; L2902-M2904 PolarHBondContact O-N 3.16Å; M2904-I2906 VanDerWaalsContact C-N 3.34Å; M2904-F2917 HydrophobicContact CB-CE2 4.38Å; M2904-F2917 HydrophobicContact CE-CE2 4.48Å; M2904-F2917 HydrophobicContact CE-CZ 4.05Å; M2904-F2917 HydrophobicContact CG-CE2 4.13Å; M2904-F2917 HydrophobicContact CG-CZ 3.94Å; M2904-F2917 HydrophobicContact SD-CD2 4.48Å; M2904-F2917 HydrophobicContact SD-CE1 4.37Å; M2904-F2917 HydrophobicContact SD-CE2 3.26Å; M2904-F2917 WeakPolarHBondContact SD-CE2 3.48Å; M2904-F2917 HydrophobicContact SD-CZ 3.19Å; M2904-F2917 WeakPolarHBondContact SD-CZ 3.4Å; M2904-E2926 VanDerWaalsContact CE-C 3.4Å; M2904-E2926 HydrophobicContact CE-CB 3.82Å; M2904-E2926 WeakPolarHBondContact CE-O 3.41Å; M2904-I2927 VanDerWaalsContact CE-CA 3.46Å; M2904-I2927 HydrophobicContact CE-CB 4.04Å; M2904-I2927 HydrophobicContact CE-CG1 3.59Å; M2904-I2927 HydrophobicContact CE-CG2 4.48Å; M2904-I2927 HydrophobicContact SD-CG1 4.48Å; M2904-F2930 HydrophobicContact CE-CB 4.12Å; M2904-F2930 HydrophobicContact CE-CD2 3.97Å; M2904-F2930 HydrophobicContact CE-CG 4.2Å; M2904-F2930 HydrophobicContact SD-CD2 3.71Å; M2904-F2930 VanDerWaalsContact SD-CD2 3.6Å; M2904-F2930 HydrophobicContact SD-CE2 4.16Å; M2904-F2930 HydrophobicContact SD-CG 4.46Å; M2904-W2972 HydrophobicContact CE-CH2 3.8Å; M2904-W2972 HydrophobicContact CE-CZ2 3.94Å
2905G74.3Confident80.6Confident41.2 Ų41.234.2 Ų34.243%0.42519%0.187SC..THydrogen-bonded Turntrans80.913179.100000114.8L2901 L2902 F2903L2901-G2905 PolarHBondContact O-N 3.02Å; L2901-G2905 VanDerWaalsContact O-N 3.07Å; L2902-G2905 PolarHBondContact O-N 3.17Å; L2902-G2905 VanDerWaalsContact O-N 3.11Å; F2903-G2905 VanDerWaalsContact C-N 3.28Å; F2903-G2905 PolarHBondContact O-N 3Å
2906I77.7Confident80.5Confident49.4 Ų49.438.1 Ų38.125%0.25321%0.211SC..  trans-97.7107.3175.8-58.4171.3000108.1L2901 M2904 D2908 S2913 F2917L2901-I2906 CarbonylContact C-O 3.42Å; L2901-I2906 HydrophobicContact CB-CB 4.27Å; L2901-I2906 WeakPolarHBondContact CB-O 3.45Å; L2901-I2906 HydrophobicContact CD2-CB 3.97Å; L2901-I2906 HydrophobicContact CD2-CD1 3.82Å; L2901-I2906 HydrophobicContact CD2-CG1 4.46Å; L2901-I2906 HydrophobicContact CD2-CG2 4.08Å; L2901-I2906 PolarHBondContact O-N 3.1Å; M2904-I2906 VanDerWaalsContact C-N 3.34Å; I2906-D2908 VanDerWaalsContact C-N 3.33Å; I2906-D2908 HydrophobicContact CG2-CB 4.4Å; I2906-S2913 WeakPolarHBondContact CG2-OG 3.39Å; I2906-F2917 HydrophobicContact CD1-CD2 3.83Å; I2906-F2917 HydrophobicContact CD1-CE2 4.34Å
2907Y76.5Confident80.2Confident107.4 Ų107.438.3 Ų38.342%0.42121%0.212SC..  trans-86.3-8.7-178.3-60.9-77.9000114.2L2902 C2909 N2936 S2939 K2942L2902-Y2907 HydrophobicContact CD2-CD1 3.87Å; L2902-Y2907 HydrophobicContact CD2-CE1 4.32Å; Y2907-C2909 PolarHBondContact O-N 3.01Å; Y2907-C2909 PolarHBondContact O-SG 3.39Å; Y2907-C2909 VanDerWaalsContact O-SG 3.37Å; Y2907-N2936 PolarHBondContact OH-ND2 3.29Å; Y2907-S2939 PolarHBondContact OH-OG 3.04Å; Y2907-S2939 VanDerWaalsContact OH-OG 3.05Å; Y2907-K2942 HydrophobicContact CE1-CD 4.46Å
2908D77Confident80Confident90.2 Ų90.239.1 Ų39.148%0.48222%0.216SC..  trans-78.1103.8175.3-176.5-1.5000109.8I2906 S2910 S2913I2906-D2908 VanDerWaalsContact C-N 3.33Å; I2906-D2908 HydrophobicContact CG2-CB 4.4Å; D2908-S2910 VanDerWaalsContact C-N 3.29Å; D2908-S2910 VanDerWaalsContact CG-OG 3.3Å; D2908-S2910 PolarHBondContact O-N 2.94Å; D2908-S2910 WeakPolarHBondContact OD1-CB 3.28Å; D2908-S2910 PolarHBondContact OD1-N 3.12Å; D2908-S2910 PolarHBondContact OD1-OG 3.19Å; D2908-S2910 PolarHBondContact OD2-OG 3.25Å; D2908-S2910 VanDerWaalsContact OD2-OG 3.12Å; D2908-S2913 WeakPolarHBondContact O-CB 3.28Å; D2908-S2913 PolarHBondContact O-OG 2.94Å
2909C70.7Confident79.6Confident40.6 Ų40.640.5 Ų40.527%0.27423%0.23SC..  trans-88.713.8-179.6-52.90000113.1E2898 Y2907 M2914E2898-C2909 HydrophobicContact CG-CB 3.99Å; E2898-C2909 VanDerWaalsContact CG-SG 3.58Å; Y2907-C2909 PolarHBondContact O-N 3.01Å; Y2907-C2909 PolarHBondContact O-SG 3.39Å; Y2907-C2909 VanDerWaalsContact O-SG 3.37Å; C2909-M2914 HydrophobicContact CB-CE 4.5Å; C2909-M2914 WeakPolarHBondContact O-CE 3.38Å
2910S80.7Confident79.3Confident44.4 Ų44.444.7 Ų44.731%0.3125%0.248SC..SBendtrans-67.5149.5176.268.40000111.6D2908 A2912 S2913 M2914D2908-S2910 VanDerWaalsContact C-N 3.29Å; D2908-S2910 VanDerWaalsContact CG-OG 3.3Å; D2908-S2910 PolarHBondContact O-N 2.94Å; D2908-S2910 WeakPolarHBondContact OD1-CB 3.28Å; D2908-S2910 PolarHBondContact OD1-N 3.12Å; D2908-S2910 PolarHBondContact OD1-OG 3.19Å; D2908-S2910 PolarHBondContact OD2-OG 3.25Å; D2908-S2910 VanDerWaalsContact OD2-OG 3.12Å; S2910-A2912 PolarHBondContact O-N 3.16Å; S2910-S2913 WeakPolarHBondContact O-CB 3.3Å; S2910-S2913 PolarHBondContact O-N 3.25Å; S2910-S2913 VanDerWaalsContact O-N 3.08Å; S2910-S2913 VanDerWaalsContact OG-CB 3.3Å; S2910-S2913 WeakPolarHBondContact OG-CB 3.44Å; S2910-S2913 PolarHBondContact OG-N 2.99Å; S2910-S2913 VanDerWaalsContact OG-N 3.1Å; S2910-M2914 PolarHBondContact O-N 3.21Å
2911W80.1Confident78.6Confident44.6 Ų44.651.1 Ų51.117%0.16929%0.293CS..Hα-helixtrans-60.3-28.1174.2-180-130000112.1I2883 L2886 P2889 L2897 M2914 R2915I2883-W2911 HydrophobicContact CG2-CH2 4.06Å; I2883-W2911 WeakPolarHBondContact O-CH2 3.36Å; L2886-W2911 HydrophobicContact CB-CZ2 4.43Å; L2886-W2911 WeakPolarHBondContact O-CZ2 3.34Å; P2889-W2911 HydrophobicContact CB-CD2 4.16Å; P2889-W2911 HydrophobicContact CB-CE3 3.75Å; P2889-W2911 HydrophobicContact CB-CH2 3.78Å; P2889-W2911 HydrophobicContact CB-CZ2 4.17Å; P2889-W2911 HydrophobicContact CB-CZ3 3.56Å; P2889-W2911 VanDerWaalsContact CB-CZ3 3.48Å; P2889-W2911 VanDerWaalsContact CD-CD2 3.49Å; P2889-W2911 HydrophobicContact CG-CB 4.46Å; P2889-W2911 HydrophobicContact CG-CD2 3.61Å; P2889-W2911 HydrophobicContact CG-CE3 3.46Å; P2889-W2911 VanDerWaalsContact CG-CE3 3.43Å; P2889-W2911 HydrophobicContact CG-CG 4.1Å; P2889-W2911 HydrophobicContact CG-CH2 4.32Å; P2889-W2911 HydrophobicContact CG-CZ2 4.42Å; P2889-W2911 HydrophobicContact CG-CZ3 3.86Å; L2897-W2911 HydrophobicContact CD1-CZ3 4.19Å; W2911-M2914 HydrophobicContact CE3-CB 3.67Å; W2911-M2914 HydrophobicContact CE3-CG 4.35Å; W2911-M2914 HydrophobicContact CE3-SD 3.84Å; W2911-M2914 HydrophobicContact CZ3-CB 3.95Å; W2911-M2914 HydrophobicContact CZ3-SD 4.27Å; W2911-M2914 PolarHBondContact O-N 3Å; W2911-R2915 HydrophobicContact CD2-CG 4.06Å; W2911-R2915 HydrophobicContact CE3-CG 4.44Å; W2911-R2915 HydrophobicContact CH2-CG 4.3Å; W2911-R2915 HydrophobicContact CZ2-CG 3.84Å; W2911-R2915 HydrophobicContact CZ3-CG 4.5Å; W2911-R2915 WeakPolarHBondContact O-CB 3.34Å; W2911-R2915 VanDerWaalsContact O-CG 3.32Å; W2911-R2915 WeakPolarHBondContact O-CG 3.31Å; W2911-R2915 PolarHBondContact O-N 3.4Å
2912A80.9Confident78.1Confident64.2 Ų64.253.1 Ų53.153%0.53131%0.309SS..Hα-helixtrans-63.1-47.3172.400000111.4S2910 M2914 R2915 T2916S2910-A2912 PolarHBondContact O-N 3.16Å; A2912-M2914 PolarHBondContact O-N 3.34Å; A2912-R2915 PolarHBondContact O-N 3.28Å; A2912-T2916 WeakPolarHBondContact O-CB 3.38Å; A2912-T2916 PolarHBondContact O-N 3.3Å; A2912-T2916 PolarHBondContact O-OG1 3.2Å
2913S80.6Confident77.8Confident15 Ų1553 Ų5311%0.10531%0.309CS..Hα-helixtrans-62-43.9175.2176.90000112.2I2906 D2908 S2910 R2915 T2916 F2917I2906-S2913 WeakPolarHBondContact CG2-OG 3.39Å; D2908-S2913 WeakPolarHBondContact O-CB 3.28Å; D2908-S2913 PolarHBondContact O-OG 2.94Å; S2910-S2913 WeakPolarHBondContact O-CB 3.3Å; S2910-S2913 PolarHBondContact O-N 3.25Å; S2910-S2913 VanDerWaalsContact O-N 3.08Å; S2910-S2913 VanDerWaalsContact OG-CB 3.3Å; S2910-S2913 WeakPolarHBondContact OG-CB 3.44Å; S2910-S2913 PolarHBondContact OG-N 2.99Å; S2910-S2913 VanDerWaalsContact OG-N 3.1Å; S2913-R2915 VanDerWaalsContact C-N 3.34Å; S2913-R2915 PolarHBondContact O-N 3.19Å; S2913-T2916 WeakPolarHBondContact O-CB 3.2Å; S2913-T2916 PolarHBondContact O-N 3.22Å; S2913-T2916 VanDerWaalsContact O-N 3.13Å; S2913-F2917 WeakPolarHBondContact O-CB 3.41Å; S2913-F2917 PolarHBondContact O-N 3.02Å
2914M81.4Confident77.3Confident1.4 Ų1.456.1 Ų56.11%0.00732%0.322CS..Hα-helixtrans-59.1-43.5174.1-68.2177.1-177.400112.3R2894 L2897 E2898 L2901 C2909 S2910 W2911 A2912 F2917 L2918R2894-M2914 HydrophobicContact CG-CE 3.9Å; R2894-M2914 HydrophobicContact CG-SD 4.28Å; R2894-M2914 VanDerWaalsContact O-CE 3.29Å; R2894-M2914 WeakPolarHBondContact O-CE 3.33Å; L2897-M2914 HydrophobicContact CB-CE 4.28Å; L2897-M2914 HydrophobicContact CB-CG 4.15Å; L2897-M2914 HydrophobicContact CB-SD 3.96Å; L2897-M2914 HydrophobicContact CD1-CB 4.35Å; L2897-M2914 HydrophobicContact CD1-CG 4.46Å; L2897-M2914 HydrophobicContact CD1-SD 4.32Å; E2898-M2914 HydrophobicContact CB-CE 3.96Å; L2901-M2914 HydrophobicContact CD1-CB 4.45Å; L2901-M2914 HydrophobicContact CD1-CE 4.45Å; L2901-M2914 HydrophobicContact CD1-CG 3.58Å; C2909-M2914 HydrophobicContact CB-CE 4.5Å; C2909-M2914 WeakPolarHBondContact O-CE 3.38Å; S2910-M2914 PolarHBondContact O-N 3.21Å; W2911-M2914 HydrophobicContact CE3-CB 3.67Å; W2911-M2914 HydrophobicContact CE3-CG 4.35Å; W2911-M2914 HydrophobicContact CE3-SD 3.84Å; W2911-M2914 HydrophobicContact CZ3-CB 3.95Å; W2911-M2914 HydrophobicContact CZ3-SD 4.27Å; W2911-M2914 PolarHBondContact O-N 3Å; A2912-M2914 PolarHBondContact O-N 3.34Å; M2914-F2917 PolarHBondContact O-N 3.05Å; M2914-L2918 WeakPolarHBondContact O-CB 3.46Å; M2914-L2918 VanDerWaalsContact O-CG 3.31Å; M2914-L2918 WeakPolarHBondContact O-CG 3.33Å; M2914-L2918 PolarHBondContact O-N 3.16Å
2915R80.9Confident77.3Confident113.4 Ų113.459.8 Ų59.843%0.42834%0.339SS..Hα-helixtrans-66.3-40.1175.4-77.6-178.173.9171.92.6112.3R2884 W2911 A2912 S2913 F2917 L2918 S2919R2884-R2915 PolarHBondContact O-NE 2.82Å; R2884-R2915 PolarHBondContact O-NH2 3.26Å; W2911-R2915 HydrophobicContact CD2-CG 4.06Å; W2911-R2915 HydrophobicContact CE3-CG 4.44Å; W2911-R2915 HydrophobicContact CH2-CG 4.3Å; W2911-R2915 HydrophobicContact CZ2-CG 3.84Å; W2911-R2915 HydrophobicContact CZ3-CG 4.5Å; W2911-R2915 WeakPolarHBondContact O-CB 3.34Å; W2911-R2915 VanDerWaalsContact O-CG 3.32Å; W2911-R2915 WeakPolarHBondContact O-CG 3.31Å; W2911-R2915 PolarHBondContact O-N 3.4Å; A2912-R2915 PolarHBondContact O-N 3.28Å; S2913-R2915 VanDerWaalsContact C-N 3.34Å; S2913-R2915 PolarHBondContact O-N 3.19Å; R2915-F2917 VanDerWaalsContact C-N 3.34Å; R2915-L2918 CarbonylContact O-C 3.59Å; R2915-L2918 PolarHBondContact O-N 3.06Å; R2915-S2919 VanDerWaalsContact O-CB 3.25Å; R2915-S2919 WeakPolarHBondContact O-CB 3.42Å; R2915-S2919 PolarHBondContact O-N 3.15Å; R2915-S2919 PolarHBondContact O-OG 2.8Å
2916T82Confident77.4Confident87.8 Ų87.861.4 Ų61.454%0.53934%0.336SS..Hα-helixtrans-64.9-42.4177.4-55.70000110.5A2912 S2913 S2919A2912-T2916 WeakPolarHBondContact O-CB 3.38Å; A2912-T2916 PolarHBondContact O-N 3.3Å; A2912-T2916 PolarHBondContact O-OG1 3.2Å; S2913-T2916 WeakPolarHBondContact O-CB 3.2Å; S2913-T2916 PolarHBondContact O-N 3.22Å; S2913-T2916 VanDerWaalsContact O-N 3.13Å; T2916-S2919 WeakPolarHBondContact CA-OG 3.41Å; T2916-S2919 WeakPolarHBondContact O-CB 3.35Å; T2916-S2919 PolarHBondContact O-N 3.04Å; T2916-S2919 VanDerWaalsContact O-N 3.15Å; T2916-S2919 PolarHBondContact O-OG 3.09Å
2917F80.3Confident77.3Confident5.6 Ų5.659.4 Ų59.43%0.02533%0.325CS..Hα-helixtrans-58.5-56.1172.9-177.7-108.1000110.2V2900 L2901 M2904 I2906 S2913 M2914 R2915 S2919 K2920 V2923 E2926 I2927V2900-F2917 HydrophobicContact CG1-CE1 3.97Å; V2900-F2917 HydrophobicContact CG1-CZ 4.27Å; L2901-F2917 HydrophobicContact CD2-CB 3.67Å; L2901-F2917 HydrophobicContact CD2-CD1 3.91Å; L2901-F2917 HydrophobicContact CD2-CD2 3.89Å; L2901-F2917 HydrophobicContact CD2-CE1 4.39Å; L2901-F2917 HydrophobicContact CD2-CE2 4.45Å; L2901-F2917 HydrophobicContact CD2-CG 3.54Å; L2901-F2917 VanDerWaalsContact CD2-CG 3.47Å; M2904-F2917 HydrophobicContact CB-CE2 4.38Å; M2904-F2917 HydrophobicContact CE-CE2 4.48Å; M2904-F2917 HydrophobicContact CE-CZ 4.05Å; M2904-F2917 HydrophobicContact CG-CE2 4.13Å; M2904-F2917 HydrophobicContact CG-CZ 3.94Å; M2904-F2917 HydrophobicContact SD-CD2 4.48Å; M2904-F2917 HydrophobicContact SD-CE1 4.37Å; M2904-F2917 HydrophobicContact SD-CE2 3.26Å; M2904-F2917 WeakPolarHBondContact SD-CE2 3.48Å; M2904-F2917 HydrophobicContact SD-CZ 3.19Å; M2904-F2917 WeakPolarHBondContact SD-CZ 3.4Å; I2906-F2917 HydrophobicContact CD1-CD2 3.83Å; I2906-F2917 HydrophobicContact CD1-CE2 4.34Å; S2913-F2917 WeakPolarHBondContact O-CB 3.41Å; S2913-F2917 PolarHBondContact O-N 3.02Å; M2914-F2917 PolarHBondContact O-N 3.05Å; R2915-F2917 VanDerWaalsContact C-N 3.34Å; F2917-S2919 PolarHBondContact O-N 3.17Å; F2917-K2920 PolarHBondContact O-N 3.12Å; F2917-K2920 VanDerWaalsContact O-N 3.13Å; F2917-V2923 HydrophobicContact CD1-CG1 4.27Å; F2917-V2923 HydrophobicContact CE1-CG1 3.68Å; F2917-V2923 HydrophobicContact CE2-CG1 4.47Å; F2917-V2923 HydrophobicContact CZ-CG1 3.92Å; F2917-V2923 HydrophobicContact CZ-CG2 4.5Å; F2917-V2923 WeakPolarHBondContact O-CG2 3.31Å; F2917-E2926 WeakPolarHBondContact CE2-OE2 3.49Å; F2917-I2927 HydrophobicContact CE1-CD1 4.34Å; F2917-I2927 HydrophobicContact CZ-CD1 4.37Å; F2917-I2927 HydrophobicContact CZ-CG1 4.41Å
2918L78.3Confident77.3Confident19.6 Ų19.655.8 Ų55.810%0.10331%0.314CS..Hα-helixtrans-61.1-15.5177.3-68.2174.5000114.8L2880 I2883 L2897 M2914 R2915L2880-L2918 HydrophobicContact CD2-CD2 4.06Å; I2883-L2918 HydrophobicContact CB-CD1 4.42Å; I2883-L2918 HydrophobicContact CG2-CD1 3.73Å; L2897-L2918 HydrophobicContact CD1-CD1 3.92Å; L2897-L2918 HydrophobicContact CD2-CD1 4.45Å; L2897-L2918 HydrophobicContact CD2-CD2 4.21Å; L2897-L2918 HydrophobicContact CD2-CG 4.48Å; M2914-L2918 WeakPolarHBondContact O-CB 3.46Å; M2914-L2918 VanDerWaalsContact O-CG 3.31Å; M2914-L2918 WeakPolarHBondContact O-CG 3.33Å; M2914-L2918 PolarHBondContact O-N 3.16Å; R2915-L2918 CarbonylContact O-C 3.59Å; R2915-L2918 PolarHBondContact O-N 3.06Å
2919S75.9Confident77.3Confident65.6 Ų65.657 Ų5746%0.45932%0.32SS..Hα-helixtrans-83.6-18.3178.876.20000114.1R2915 T2916 F2917 S2921R2915-S2919 VanDerWaalsContact O-CB 3.25Å; R2915-S2919 WeakPolarHBondContact O-CB 3.42Å; R2915-S2919 PolarHBondContact O-N 3.15Å; R2915-S2919 PolarHBondContact O-OG 2.8Å; T2916-S2919 WeakPolarHBondContact CA-OG 3.41Å; T2916-S2919 WeakPolarHBondContact O-CB 3.35Å; T2916-S2919 PolarHBondContact O-N 3.04Å; T2916-S2919 VanDerWaalsContact O-N 3.15Å; T2916-S2919 PolarHBondContact O-OG 3.09Å; F2917-S2919 PolarHBondContact O-N 3.17Å; S2919-S2921 PolarHBondContact O-N 2.95Å
2920K77.2Confident77.6Confident89.4 Ų89.456.4 Ų56.439%0.38931%0.312SS..SBendtrans-65.3133.6177.6-62.1176.3175.4-175.30109.3F2917 A2922 V2923 E2926F2917-K2920 PolarHBondContact O-N 3.12Å; F2917-K2920 VanDerWaalsContact O-N 3.13Å; K2920-A2922 PolarHBondContact O-N 3.07Å; K2920-A2922 VanDerWaalsContact O-N 3.13Å; K2920-V2923 HydrophobicContact CB-CG2 3.76Å; K2920-V2923 VanDerWaalsContact O-CG2 3.32Å; K2920-V2923 WeakPolarHBondContact O-CG2 3.42Å; K2920-V2923 PolarHBondContact O-N 3.25Å; K2920-E2926 VanDerWaalsContact NZ-CD 3.32Å; K2920-E2926 IonicContact NZ-OE1 3.05Å; K2920-E2926 PolarHBondContact NZ-OE1 3.28Å; K2920-E2926 IonicContact NZ-OE2 3.22Å; K2920-E2926 PolarHBondContact NZ-OE2 3.08Å
2921S70.6Confident77.1Confident135 Ų13557.4 Ų57.494%0.94431%0.314SS*.THydrogen-bonded Turntrans-61-25.4177.7150.10000112.7S2919S2919-S2921 PolarHBondContact O-N 2.95Å
2922A72.6Confident76.5Confident42.4 Ų42.455.6 Ų55.635%0.3531%0.309SS..THydrogen-bonded Turntrans-100.911.6-173.700000115.3K2920 K2924 E2925 E2926K2920-A2922 PolarHBondContact O-N 3.07Å; K2920-A2922 VanDerWaalsContact O-N 3.13Å; A2922-K2924 VanDerWaalsContact C-N 3.26Å; A2922-K2924 PolarHBondContact O-N 3.16Å; A2922-E2925 WeakPolarHBondContact O-CB 3.33Å; A2922-E2925 PolarHBondContact O-N 2.93Å; A2922-E2925 VanDerWaalsContact O-N 3.08Å; A2922-E2926 PolarHBondContact O-N 3.08Å
2923V74.7Confident76Confident7.2 Ų7.257.9 Ų57.94%0.04431%0.309CS..Hα-helixtrans-53.7-43.1-1771740000112.8F2917 K2920 E2925 E2926 I2927F2917-V2923 HydrophobicContact CD1-CG1 4.27Å; F2917-V2923 HydrophobicContact CE1-CG1 3.68Å; F2917-V2923 HydrophobicContact CE2-CG1 4.47Å; F2917-V2923 HydrophobicContact CZ-CG1 3.92Å; F2917-V2923 HydrophobicContact CZ-CG2 4.5Å; F2917-V2923 WeakPolarHBondContact O-CG2 3.31Å; K2920-V2923 HydrophobicContact CB-CG2 3.76Å; K2920-V2923 VanDerWaalsContact O-CG2 3.32Å; K2920-V2923 WeakPolarHBondContact O-CG2 3.42Å; K2920-V2923 PolarHBondContact O-N 3.25Å; V2923-E2925 VanDerWaalsContact C-N 3.29Å; V2923-E2925 PolarHBondContact O-N 3.06Å; V2923-E2926 PolarHBondContact O-N 3.28Å; V2923-I2927 HydrophobicContact CG1-CD1 3.73Å; V2923-I2927 HydrophobicContact CG1-CG1 4.4Å; V2923-I2927 VanDerWaalsContact O-CG1 3.28Å; V2923-I2927 WeakPolarHBondContact O-CG1 3.38Å; V2923-I2927 PolarHBondContact O-N 3.15Å; V2923-I2927 VanDerWaalsContact O-N 3.11Å
2924K73.6Confident75.4Confident72.8 Ų72.866.8 Ų66.832%0.31734%0.34SS..Hα-helixtrans-61.8-40.3-179.1-171.6174.1178.7173.80111.4Q2873 I2875 A2922 I2927 I2928Q2873-K2924 WeakPolarHBondContact O-CE 3.35Å; Q2873-K2924 PolarHBondContact O-NZ 3.02Å; I2875-K2924 PolarHBondContact O-NZ 3.05Å; A2922-K2924 VanDerWaalsContact C-N 3.26Å; A2922-K2924 PolarHBondContact O-N 3.16Å; K2924-I2927 PolarHBondContact O-N 3.26Å; K2924-I2928 HydrophobicContact CG-CD1 3.99Å; K2924-I2928 VanDerWaalsContact O-CD1 3.32Å; K2924-I2928 WeakPolarHBondContact O-CD1 3.38Å; K2924-I2928 VanDerWaalsContact O-CG1 3.25Å; K2924-I2928 WeakPolarHBondContact O-CG1 3.28Å; K2924-I2928 PolarHBondContact O-N 3.17Å; K2924-I2928 VanDerWaalsContact O-N 3.13Å
2925E76.6Confident75Confident118 Ų11867.7 Ų67.755%0.55134%0.344SS*.Hα-helixtrans-70.7-39.2176.1-68.5-104.2156.400112.2A2922 V2923 I2927 I2928 N2929A2922-E2925 WeakPolarHBondContact O-CB 3.33Å; A2922-E2925 PolarHBondContact O-N 2.93Å; A2922-E2925 VanDerWaalsContact O-N 3.08Å; V2923-E2925 VanDerWaalsContact C-N 3.29Å; V2923-E2925 PolarHBondContact O-N 3.06Å; E2925-I2927 VanDerWaalsContact C-N 3.29Å; E2925-I2927 PolarHBondContact O-N 3.2Å; E2925-I2928 PolarHBondContact O-N 3.23Å; E2925-N2929 VanDerWaalsContact O-CB 3.31Å; E2925-N2929 WeakPolarHBondContact O-CB 3.39Å; E2925-N2929 PolarHBondContact O-N 3.07Å; E2925-N2929 PolarHBondContact O-ND2 3.15Å; E2925-N2929 VanDerWaalsContact O-ND2 3.1Å; E2925-N2929 PolarHBondContact OE2-ND2 3.17Å; E2925-N2929 VanDerWaalsContact OE2-ND2 3.16Å
2926E77.3Confident74.6Confident74.6 Ų74.665.3 Ų65.335%0.34934%0.34SS..Hα-helixtrans-60.2-38.3175.7-74.7-175.9-177.600111.5M2904 F2917 K2920 A2922 V2923 F2930M2904-E2926 VanDerWaalsContact CE-C 3.4Å; M2904-E2926 HydrophobicContact CE-CB 3.82Å; M2904-E2926 WeakPolarHBondContact CE-O 3.41Å; F2917-E2926 WeakPolarHBondContact CE2-OE2 3.49Å; K2920-E2926 VanDerWaalsContact NZ-CD 3.32Å; K2920-E2926 IonicContact NZ-OE1 3.05Å; K2920-E2926 PolarHBondContact NZ-OE1 3.28Å; K2920-E2926 IonicContact NZ-OE2 3.22Å; K2920-E2926 PolarHBondContact NZ-OE2 3.08Å; A2922-E2926 PolarHBondContact O-N 3.08Å; V2923-E2926 PolarHBondContact O-N 3.28Å; E2926-F2930 PolarHBondContact O-N 3.01Å
2927I75.3Confident74.1Confident7.6 Ų7.665.3 Ų65.34%0.03934%0.342CS..Hα-helixtrans-74.2-41179.1-59.6167.3000112.2V2872 V2900 M2904 F2917 V2923 K2924 E2925 F2930 L2969 W2972V2872-I2927 HydrophobicContact CG1-CB 4.21Å; V2872-I2927 HydrophobicContact CG1-CG2 3.73Å; V2872-I2927 HydrophobicContact CG2-CG2 4.3Å; V2900-I2927 HydrophobicContact CG1-CD1 4.33Å; V2900-I2927 HydrophobicContact CG1-CG1 4.44Å; M2904-I2927 VanDerWaalsContact CE-CA 3.46Å; M2904-I2927 HydrophobicContact CE-CB 4.04Å; M2904-I2927 HydrophobicContact CE-CG1 3.59Å; M2904-I2927 HydrophobicContact CE-CG2 4.48Å; M2904-I2927 HydrophobicContact SD-CG1 4.48Å; F2917-I2927 HydrophobicContact CE1-CD1 4.34Å; F2917-I2927 HydrophobicContact CZ-CD1 4.37Å; F2917-I2927 HydrophobicContact CZ-CG1 4.41Å; V2923-I2927 HydrophobicContact CG1-CD1 3.73Å; V2923-I2927 HydrophobicContact CG1-CG1 4.4Å; V2923-I2927 VanDerWaalsContact O-CG1 3.28Å; V2923-I2927 WeakPolarHBondContact O-CG1 3.38Å; V2923-I2927 PolarHBondContact O-N 3.15Å; V2923-I2927 VanDerWaalsContact O-N 3.11Å; K2924-I2927 PolarHBondContact O-N 3.26Å; E2925-I2927 VanDerWaalsContact C-N 3.29Å; E2925-I2927 PolarHBondContact O-N 3.2Å; I2927-F2930 WeakPolarHBondContact O-CB 3.35Å; I2927-F2930 PolarHBondContact O-N 3.15Å; I2927-L2969 HydrophobicContact CD1-CD2 3.76Å; I2927-L2969 HydrophobicContact CG2-CD2 4.44Å; I2927-W2972 HydrophobicContact CG2-CD2 3.81Å; I2927-W2972 VanDerWaalsContact CG2-CE2 3.42Å; I2927-W2972 HydrophobicContact CG2-CE3 4.35Å; I2927-W2972 HydrophobicContact CG2-CG 4.1Å; I2927-W2972 HydrophobicContact CG2-CH2 4.42Å; I2927-W2972 HydrophobicContact CG2-CZ2 3.9Å; I2927-W2972 WeakPolarHBondContact O-CZ2 3.32Å; I2927-W2972 PolarHBondContact O-NE1 3.2Å; I2927-W2972 VanDerWaalsContact O-NE1 3.1Å
2928I76Confident73.8Confident33.2 Ų33.271 Ų7117%0.1737%0.369CS..Hα-helixtrans-68.2-42-179.8-68.6167000111.1K2869 V2872 Q2873 K2924 E2925 F2930K2869-I2928 WeakPolarHBondContact CD-O 3.25Å; K2869-I2928 VanDerWaalsContact CE-O 3.31Å; K2869-I2928 WeakPolarHBondContact CE-O 3.45Å; K2869-I2928 PolarHBondContact NZ-O 3.05Å; V2872-I2928 HydrophobicContact CG1-CG1 4.14Å; Q2873-I2928 HydrophobicContact CB-CD1 4.13Å; Q2873-I2928 HydrophobicContact CG-CD1 4.2Å; K2924-I2928 HydrophobicContact CG-CD1 3.99Å; K2924-I2928 VanDerWaalsContact O-CD1 3.32Å; K2924-I2928 WeakPolarHBondContact O-CD1 3.38Å; K2924-I2928 VanDerWaalsContact O-CG1 3.25Å; K2924-I2928 WeakPolarHBondContact O-CG1 3.28Å; K2924-I2928 PolarHBondContact O-N 3.17Å; K2924-I2928 VanDerWaalsContact O-N 3.13Å; E2925-I2928 PolarHBondContact O-N 3.23Å; I2928-F2930 VanDerWaalsContact C-N 3.27Å; I2928-F2930 PolarHBondContact O-N 3.18Å
2929N77.4Confident73.6Confident114.2 Ų114.270.3 Ų70.361%0.61137%0.365SS*.THydrogen-bonded Turntrans-86.87.3-176.1-65.2-35.5000113.7E2925 D2931E2925-N2929 VanDerWaalsContact O-CB 3.31Å; E2925-N2929 WeakPolarHBondContact O-CB 3.39Å; E2925-N2929 PolarHBondContact O-N 3.07Å; E2925-N2929 PolarHBondContact O-ND2 3.15Å; E2925-N2929 VanDerWaalsContact O-ND2 3.1Å; E2925-N2929 PolarHBondContact OE2-ND2 3.17Å; E2925-N2929 VanDerWaalsContact OE2-ND2 3.16Å; N2929-D2931 PolarHBondContact O-N 3.28Å
2930F77.1Confident73.6Confident27.4 Ų27.468 Ų6812%0.1235%0.348CS..  trans-63.2130.2176.9-172.3-105.7000111.5K2869 F2903 M2904 E2926 I2927 I2928 I2935 W2972K2869-F2930 PolarHBondContact NZ-O 3.35Å; K2869-F2930 VanDerWaalsContact NZ-O 3.1Å; F2903-F2930 HydrophobicContact CB-CE1 4.36Å; F2903-F2930 HydrophobicContact CB-CZ 4.17Å; F2903-F2930 VanDerWaalsContact O-CE2 3.27Å; F2903-F2930 WeakPolarHBondContact O-CE2 3.37Å; F2903-F2930 WeakPolarHBondContact O-CZ 3.33Å; M2904-F2930 HydrophobicContact CE-CB 4.12Å; M2904-F2930 HydrophobicContact CE-CD2 3.97Å; M2904-F2930 HydrophobicContact CE-CG 4.2Å; M2904-F2930 HydrophobicContact SD-CD2 3.71Å; M2904-F2930 VanDerWaalsContact SD-CD2 3.6Å; M2904-F2930 HydrophobicContact SD-CE2 4.16Å; M2904-F2930 HydrophobicContact SD-CG 4.46Å; E2926-F2930 PolarHBondContact O-N 3.01Å; I2927-F2930 WeakPolarHBondContact O-CB 3.35Å; I2927-F2930 PolarHBondContact O-N 3.15Å; I2928-F2930 VanDerWaalsContact C-N 3.27Å; I2928-F2930 PolarHBondContact O-N 3.18Å; F2930-I2935 HydrophobicContact CE1-CD1 3.84Å; F2930-I2935 HydrophobicContact CE1-CG1 3.59Å; F2930-I2935 VanDerWaalsContact CE1-CG1 3.47Å; F2930-I2935 HydrophobicContact CZ-CD1 4.35Å; F2930-I2935 HydrophobicContact CZ-CG1 3.66Å; F2930-W2972 HydrophobicContact CB-CH2 4.43Å; F2930-W2972 HydrophobicContact CB-CZ2 3.63Å; F2930-W2972 AromaticContact CD1-CH2 3.91Å; F2930-W2972 HydrophobicContact CD1-CH2 3.91Å; F2930-W2972 AromaticContact CD1-CZ2 3.58Å; F2930-W2972 HydrophobicContact CD1-CZ2 3.58Å; F2930-W2972 HydrophobicContact CE1-CH2 4.32Å; F2930-W2972 HydrophobicContact CE1-CZ2 4.37Å; F2930-W2972 HydrophobicContact CG-CH2 4.1Å; F2930-W2972 AromaticContact CG-CZ2 3.7Å; F2930-W2972 HydrophobicContact CG-CZ2 3.7Å
2931D69.7Low73.6Confident66 Ų6670.2 Ų70.235%0.35336%0.359SS..  trans-99.2113.7179-178.56.2000109.8N2929 H2933 R2934N2929-D2931 PolarHBondContact O-N 3.28Å; D2931-H2933 PolarHBondContact O-N 2.99Å; D2931-H2933 VanDerWaalsContact O-N 3.15Å; D2931-H2933 WeakPolarHBondContact OD1-CB 3.34Å; D2931-H2933 IonicContact OD1-CD2 3.29Å; D2931-H2933 PolarHBondContact OD1-CD2 3.04Å; D2931-H2933 VanDerWaalsContact OD1-CD2 3.29Å; D2931-H2933 IonicContact OD1-CE1 3.29Å; D2931-H2933 IonicContact OD1-CG 3.23Å; D2931-H2933 PolarHBondContact OD1-N 3.05Å; D2931-H2933 VanDerWaalsContact OD1-N 3.1Å; D2931-H2933 IonicContact OD1-ND1 3Å; D2931-H2933 PolarHBondContact OD1-ND1 2.91Å; D2931-R2934 HydrophobicContact CB-CG 4.28Å; D2931-R2934 WeakPolarHBondContact O-CB 3.37Å; D2931-R2934 PolarHBondContact O-N 3.01Å; D2931-R2934 IonicContact OD2-NE 3.27Å
2932A67.8Low74Confident7.8 Ų7.868.4 Ų68.46%0.06434%0.335CS..G310 helixtrans-66.9-13.5-176.800000113.5I2865 R2934 I2935 Y2979I2865-A2932 HydrophobicContact CD1-CB 4.38Å; A2932-R2934 VanDerWaalsContact C-N 3.31Å; A2932-R2934 PolarHBondContact O-N 3.04Å; A2932-I2935 HydrophobicContact CB-CD1 4.18Å; A2932-I2935 WeakPolarHBondContact O-CG1 3.4Å; A2932-I2935 PolarHBondContact O-N 3.02Å; A2932-Y2979 HydrophobicContact CB-CD1 3.32Å; A2932-Y2979 HydrophobicContact CB-CE1 3.77Å; A2932-Y2979 HydrophobicContact CB-CG 4.25Å
2933H69.8Low74.3Confident112 Ų11266.4 Ų66.452%0.51932%0.318SS..G310 helixtrans-69.4-20.1170.3-67.5-61.4000113.4D2931 I2935 Y2979 L2983D2931-H2933 PolarHBondContact O-N 2.99Å; D2931-H2933 VanDerWaalsContact O-N 3.15Å; D2931-H2933 WeakPolarHBondContact OD1-CB 3.34Å; D2931-H2933 IonicContact OD1-CD2 3.29Å; D2931-H2933 PolarHBondContact OD1-CD2 3.04Å; D2931-H2933 VanDerWaalsContact OD1-CD2 3.29Å; D2931-H2933 IonicContact OD1-CE1 3.29Å; D2931-H2933 IonicContact OD1-CG 3.23Å; D2931-H2933 PolarHBondContact OD1-N 3.05Å; D2931-H2933 VanDerWaalsContact OD1-N 3.1Å; D2931-H2933 IonicContact OD1-ND1 3Å; D2931-H2933 PolarHBondContact OD1-ND1 2.91Å; H2933-I2935 VanDerWaalsContact C-N 3.31Å; H2933-Y2979 AromaticContact CE1-CE1 3.86Å; H2933-Y2979 AromaticContact NE2-CZ 3.95Å; H2933-Y2979 PolarHBondContact NE2-OH 2.92Å; H2933-L2983 HydrophobicContact CB-CD1 4.32Å; H2933-L2983 VanDerWaalsContact CD2-CD1 3.44Å; H2933-L2983 WeakPolarHBondContact CD2-CD1 3.38Å; H2933-L2983 WeakPolarHBondContact CE1-CD2 3.42Å; H2933-L2983 WeakPolarHBondContact ND1-CD1 3.32Å; H2933-L2983 WeakPolarHBondContact ND1-CD2 3.42Å; H2933-L2983 VanDerWaalsContact NE2-CD2 3.34Å; H2933-L2983 WeakPolarHBondContact NE2-CD2 3.4Å
2934R69.3Low74.5Confident202.2 Ų202.267.4 Ų67.476%0.76333%0.325SS*.G310 helixtrans-87.4-3.5-179.1-62.2-175.2-174.1-171.80.1113.5D2931 A2932 N2936D2931-R2934 HydrophobicContact CB-CG 4.28Å; D2931-R2934 WeakPolarHBondContact O-CB 3.37Å; D2931-R2934 PolarHBondContact O-N 3.01Å; D2931-R2934 IonicContact OD2-NE 3.27Å; A2932-R2934 VanDerWaalsContact C-N 3.31Å; A2932-R2934 PolarHBondContact O-N 3.04Å; R2934-N2936 PolarHBondContact O-N 2.94Å; R2934-N2936 VanDerWaalsContact O-N 3.09Å
2935I71.6Confident74.8Confident19.4 Ų19.470 Ų7010%0.09934%0.338CS..  trans-66.5112.7178.7-61.8170.8000108.4F2903 F2930 A2932 H2933 L2940 N2976 A2980F2903-I2935 HydrophobicContact CD1-CD1 4.29Å; F2903-I2935 HydrophobicContact CD1-CG1 4.37Å; F2903-I2935 HydrophobicContact CD1-CG2 4.14Å; F2903-I2935 HydrophobicContact CE1-CD1 4.28Å; F2903-I2935 HydrophobicContact CE1-CG2 4.05Å; F2903-I2935 HydrophobicContact CZ-CD1 4.49Å; F2930-I2935 HydrophobicContact CE1-CD1 3.84Å; F2930-I2935 HydrophobicContact CE1-CG1 3.59Å; F2930-I2935 VanDerWaalsContact CE1-CG1 3.47Å; F2930-I2935 HydrophobicContact CZ-CD1 4.35Å; F2930-I2935 HydrophobicContact CZ-CG1 3.66Å; A2932-I2935 HydrophobicContact CB-CD1 4.18Å; A2932-I2935 WeakPolarHBondContact O-CG1 3.4Å; A2932-I2935 PolarHBondContact O-N 3.02Å; H2933-I2935 VanDerWaalsContact C-N 3.31Å; I2935-L2940 HydrophobicContact CG2-CB 3.88Å; I2935-L2940 HydrophobicContact CG2-CD1 4.17Å; I2935-N2976 HydrophobicContact CD1-CB 4.08Å; I2935-A2980 HydrophobicContact CB-CB 4.22Å; I2935-A2980 HydrophobicContact CD1-CB 3.91Å; I2935-A2980 HydrophobicContact CG1-CB 4.44Å; I2935-A2980 HydrophobicContact CG2-CB 4.37Å
2936N72.6Confident74.9Confident63.2 Ų63.264.8 Ų64.834%0.33831%0.314SS..  trans-69.3145.4174.8117.319.6000109.8Y2907 R2934 Q2938 S2939 L2940Y2907-N2936 PolarHBondContact OH-ND2 3.29Å; R2934-N2936 PolarHBondContact O-N 2.94Å; R2934-N2936 VanDerWaalsContact O-N 3.09Å; N2936-Q2938 PolarHBondContact ND2-OE1 2.88Å; N2936-Q2938 PolarHBondContact O-N 2.95Å; N2936-Q2938 VanDerWaalsContact O-N 3.1Å; N2936-Q2938 WeakPolarHBondContact OD1-CA 3.32Å; N2936-Q2938 WeakPolarHBondContact OD1-CB 3.25Å; N2936-Q2938 PolarHBondContact OD1-N 3.16Å; N2936-S2939 PolarHBondContact ND2-OG 3.18Å; N2936-S2939 WeakPolarHBondContact O-CA 3.28Å; N2936-S2939 WeakPolarHBondContact O-CB 3.39Å; N2936-S2939 PolarHBondContact O-N 3.34Å; N2936-S2939 VanDerWaalsContact O-N 3.11Å; N2936-S2939 WeakPolarHBondContact OD1-CA 3.18Å; N2936-S2939 VanDerWaalsContact OD1-CB 3.23Å; N2936-S2939 WeakPolarHBondContact OD1-CB 3.4Å; N2936-S2939 PolarHBondContact OD1-N 3.2Å; N2936-S2939 PolarHBondContact OD1-OG 2.93Å; N2936-S2939 VanDerWaalsContact OD1-OG 3.07Å; N2936-L2940 PolarHBondContact O-N 3.12Å; N2936-L2940 VanDerWaalsContact O-N 3.13Å
2937P71.8Confident75Confident88.8 Ų88.862.3 Ų62.358%0.57730%0.304SS*.Hα-helixtrans-55.2-35.2179.9-1721.6000113.3S2939 L2940 E2941P2937-S2939 PolarHBondContact O-N 3.33Å; P2937-L2940 PolarHBondContact O-N 3.11Å; P2937-E2941 VanDerWaalsContact O-CB 3.31Å; P2937-E2941 WeakPolarHBondContact O-CB 3.43Å; P2937-E2941 PolarHBondContact O-N 2.93Å
2938Q75Confident75.2Confident125 Ų12569.7 Ų69.758%0.58434%0.336SS*.Hα-helixtrans-66.1-37.8177.8-62.8179.9-9.500113N2936 K2942N2936-Q2938 PolarHBondContact ND2-OE1 2.88Å; N2936-Q2938 PolarHBondContact O-N 2.95Å; N2936-Q2938 VanDerWaalsContact O-N 3.1Å; N2936-Q2938 WeakPolarHBondContact OD1-CA 3.32Å; N2936-Q2938 WeakPolarHBondContact OD1-CB 3.25Å; N2936-Q2938 PolarHBondContact OD1-N 3.16Å; Q2938-K2942 WeakPolarHBondContact O-CB 3.36Å; Q2938-K2942 VanDerWaalsContact O-CG 3.28Å; Q2938-K2942 WeakPolarHBondContact O-CG 3.3Å; Q2938-K2942 PolarHBondContact O-N 3.1Å; Q2938-K2942 VanDerWaalsContact O-N 3.1Å
2939S74.5Confident75.4Confident4.4 Ų4.476.3 Ų76.33%0.03136%0.359CS..Hα-helixtrans-71.6-39.5176-64.50000110.7L2902 Y2907 N2936 P2937 E2941 K2942 V2943L2902-S2939 WeakPolarHBondContact O-CB 3.39Å; L2902-S2939 PolarHBondContact O-OG 3.11Å; Y2907-S2939 PolarHBondContact OH-OG 3.04Å; Y2907-S2939 VanDerWaalsContact OH-OG 3.05Å; N2936-S2939 PolarHBondContact ND2-OG 3.18Å; N2936-S2939 WeakPolarHBondContact O-CA 3.28Å; N2936-S2939 WeakPolarHBondContact O-CB 3.39Å; N2936-S2939 PolarHBondContact O-N 3.34Å; N2936-S2939 VanDerWaalsContact O-N 3.11Å; N2936-S2939 WeakPolarHBondContact OD1-CA 3.18Å; N2936-S2939 VanDerWaalsContact OD1-CB 3.23Å; N2936-S2939 WeakPolarHBondContact OD1-CB 3.4Å; N2936-S2939 PolarHBondContact OD1-N 3.2Å; N2936-S2939 PolarHBondContact OD1-OG 2.93Å; N2936-S2939 VanDerWaalsContact OD1-OG 3.07Å; P2937-S2939 PolarHBondContact O-N 3.33Å; S2939-E2941 VanDerWaalsContact C-N 3.33Å; S2939-E2941 PolarHBondContact O-N 3.32Å; S2939-K2942 PolarHBondContact O-N 3.3Å; S2939-V2943 WeakPolarHBondContact O-CB 3.35Å; S2939-V2943 VanDerWaalsContact O-CG2 3.26Å; S2939-V2943 WeakPolarHBondContact O-CG2 3.44Å; S2939-V2943 PolarHBondContact O-N 3.1Å
2940L75.3Confident75.5Confident17.6 Ų17.673.5 Ų73.59%0.09234%0.341CS..Hα-helixtrans-61.8-44.9174.9-167.5128.5000111.7F2903 I2935 N2936 P2937 V2943 S2944 M2977 A2980 D2981F2903-L2940 HydrophobicContact CE1-CD1 4.2Å; F2903-L2940 HydrophobicContact CZ-CD1 4.44Å; I2935-L2940 HydrophobicContact CG2-CB 3.88Å; I2935-L2940 HydrophobicContact CG2-CD1 4.17Å; N2936-L2940 PolarHBondContact O-N 3.12Å; N2936-L2940 VanDerWaalsContact O-N 3.13Å; P2937-L2940 PolarHBondContact O-N 3.11Å; L2940-V2943 PolarHBondContact O-N 3.04Å; L2940-S2944 VanDerWaalsContact O-CB 3.28Å; L2940-S2944 WeakPolarHBondContact O-CB 3.26Å; L2940-S2944 PolarHBondContact O-N 3.09Å; L2940-M2977 HydrophobicContact CD1-CB 4.38Å; L2940-M2977 HydrophobicContact CD1-CG 3.86Å; L2940-A2980 HydrophobicContact CD1-CB 3.32Å; L2940-A2980 HydrophobicContact CD2-CB 4.35Å; L2940-D2981 WeakPolarHBondContact CD2-OD1 3.36Å
2941E76.9Confident75.3Confident135.6 Ų135.675.9 Ų75.963%0.63436%0.361SS*.Hα-helixtrans-62.8-48.9178.5-152.7171.3-162.400111.2P2937 S2939 V2943 S2944 E2945P2937-E2941 VanDerWaalsContact O-CB 3.31Å; P2937-E2941 WeakPolarHBondContact O-CB 3.43Å; P2937-E2941 PolarHBondContact O-N 2.93Å; S2939-E2941 VanDerWaalsContact C-N 3.33Å; S2939-E2941 PolarHBondContact O-N 3.32Å; E2941-V2943 PolarHBondContact O-N 2.98Å; E2941-S2944 PolarHBondContact O-N 3.23Å; E2941-S2944 VanDerWaalsContact O-N 3.14Å; E2941-S2944 PolarHBondContact O-OG 3.12Å; E2941-E2945 VanDerWaalsContact O-CB 3.3Å; E2941-E2945 WeakPolarHBondContact O-CB 3.35Å; E2941-E2945 PolarHBondContact O-N 3.1Å
2942K78.1Confident75.8Confident98 Ų9876 Ų7643%0.42637%0.367SS..Hα-helixtrans-60.4-43.7176.7-75.3179.6-179.9-178.90112.9L2902 Y2907 Q2938 S2939 E2945 L2946L2902-K2942 HydrophobicContact CD1-CB 4.21Å; L2902-K2942 HydrophobicContact CD2-CB 4.42Å; L2902-K2942 HydrophobicContact CD2-CD 4.22Å; Y2907-K2942 HydrophobicContact CE1-CD 4.46Å; Q2938-K2942 WeakPolarHBondContact O-CB 3.36Å; Q2938-K2942 VanDerWaalsContact O-CG 3.28Å; Q2938-K2942 WeakPolarHBondContact O-CG 3.3Å; Q2938-K2942 PolarHBondContact O-N 3.1Å; Q2938-K2942 VanDerWaalsContact O-N 3.1Å; S2939-K2942 PolarHBondContact O-N 3.3Å; K2942-E2945 PolarHBondContact O-N 3.1Å; K2942-L2946 VanDerWaalsContact O-CB 3.27Å; K2942-L2946 WeakPolarHBondContact O-CB 3.3Å; K2942-L2946 PolarHBondContact O-N 3.25Å
2943V79Confident76.2Confident0 Ų075.9 Ų75.90%037%0.366CS..Hα-helixtrans-69.9-38.9178.2174.60000111.1A2899 L2902 F2903 S2939 L2940 E2941 E2945 L2946 V2947 V2973A2899-V2943 HydrophobicContact CB-CG1 4.08Å; A2899-V2943 HydrophobicContact CB-CG2 4.46Å; L2902-V2943 HydrophobicContact CB-CG2 3.46Å; L2902-V2943 VanDerWaalsContact CB-CG2 3.44Å; L2902-V2943 HydrophobicContact CD1-CG2 3.88Å; L2902-V2943 HydrophobicContact CG-CG2 4.33Å; F2903-V2943 HydrophobicContact CD1-CB 4.35Å; F2903-V2943 HydrophobicContact CD1-CG1 4.44Å; F2903-V2943 HydrophobicContact CD1-CG2 3.88Å; F2903-V2943 HydrophobicContact CD2-CG1 4.44Å; F2903-V2943 HydrophobicContact CE1-CB 3.79Å; F2903-V2943 HydrophobicContact CE1-CG1 3.94Å; F2903-V2943 HydrophobicContact CE1-CG2 3.79Å; F2903-V2943 HydrophobicContact CE2-CB 4.45Å; F2903-V2943 HydrophobicContact CE2-CG1 3.79Å; F2903-V2943 HydrophobicContact CE2-CG2 4.46Å; F2903-V2943 HydrophobicContact CG-CG2 4.33Å; F2903-V2943 HydrophobicContact CZ-CB 3.86Å; F2903-V2943 HydrophobicContact CZ-CG1 3.48Å; F2903-V2943 VanDerWaalsContact CZ-CG1 3.45Å; F2903-V2943 HydrophobicContact CZ-CG2 4.16Å; S2939-V2943 WeakPolarHBondContact O-CB 3.35Å; S2939-V2943 VanDerWaalsContact O-CG2 3.26Å; S2939-V2943 WeakPolarHBondContact O-CG2 3.44Å; S2939-V2943 PolarHBondContact O-N 3.1Å; L2940-V2943 PolarHBondContact O-N 3.04Å; E2941-V2943 PolarHBondContact O-N 2.98Å; V2943-E2945 VanDerWaalsContact C-N 3.32Å; V2943-E2945 PolarHBondContact O-N 2.98Å; V2943-L2946 PolarHBondContact O-N 3.1Å; V2943-V2947 HydrophobicContact CG1-CG2 4.17Å; V2943-V2947 WeakPolarHBondContact O-CB 3.33Å; V2943-V2947 VanDerWaalsContact O-CG2 3.29Å; V2943-V2947 WeakPolarHBondContact O-CG2 3.42Å; V2943-V2947 PolarHBondContact O-N 3.21Å; V2943-V2973 HydrophobicContact CG1-CG1 3.68Å
2944S79.4Confident76.5Confident27 Ų2771.3 Ų71.319%0.18934%0.344CS..Hα-helixtrans-61.8-41.1174.8149.30000111.7L2940 E2941 L2946 K2948 M2977L2940-S2944 VanDerWaalsContact O-CB 3.28Å; L2940-S2944 WeakPolarHBondContact O-CB 3.26Å; L2940-S2944 PolarHBondContact O-N 3.09Å; E2941-S2944 PolarHBondContact O-N 3.23Å; E2941-S2944 VanDerWaalsContact O-N 3.14Å; E2941-S2944 PolarHBondContact O-OG 3.12Å; S2944-L2946 VanDerWaalsContact C-N 3.35Å; S2944-K2948 WeakPolarHBondContact O-CB 3.39Å; S2944-K2948 VanDerWaalsContact O-CG 3.26Å; S2944-K2948 WeakPolarHBondContact O-CG 3.35Å; S2944-K2948 PolarHBondContact O-N 3.23Å; S2944-K2948 VanDerWaalsContact O-N 3.07Å; S2944-M2977 VanDerWaalsContact CA-SD 3.58Å
2945E80.8Confident77Confident128.2 Ų128.266.5 Ų66.560%0.59933%0.331SS*.Hα-helixtrans-65.8-41.7174.9-151.7-177.918000111.4E2941 K2942 V2943 K2948 R2949E2941-E2945 VanDerWaalsContact O-CB 3.3Å; E2941-E2945 WeakPolarHBondContact O-CB 3.35Å; E2941-E2945 PolarHBondContact O-N 3.1Å; K2942-E2945 PolarHBondContact O-N 3.1Å; V2943-E2945 VanDerWaalsContact C-N 3.32Å; V2943-E2945 PolarHBondContact O-N 2.98Å; E2945-K2948 PolarHBondContact O-N 3.16Å; E2945-R2949 VanDerWaalsContact O-CB 3.28Å; E2945-R2949 WeakPolarHBondContact O-CB 3.41Å; E2945-R2949 PolarHBondContact O-N 3.01Å
2946L78.8Confident77.1Confident9 Ų970.2 Ų70.25%0.04736%0.356CS..Hα-helixtrans-64-46.4177.5-156.4155.6000112.2D2895 E2898 A2899 L2902 K2942 V2943 S2944 K2948 R2949 K2950 F2954D2895-L2946 HydrophobicContact CB-CD2 4.38Å; D2895-L2946 WeakPolarHBondContact O-CD2 3.25Å; E2898-L2946 HydrophobicContact CB-CD1 3.99Å; E2898-L2946 VanDerWaalsContact CD-CD1 3.4Å; E2898-L2946 HydrophobicContact CG-CD1 3.58Å; E2898-L2946 VanDerWaalsContact CG-CD1 3.45Å; E2898-L2946 HydrophobicContact CG-CD2 4.31Å; E2898-L2946 WeakPolarHBondContact OE1-CD1 3.41Å; A2899-L2946 HydrophobicContact CB-CD1 4.44Å; A2899-L2946 HydrophobicContact CB-CD2 4.13Å; L2902-L2946 HydrophobicContact CD1-CD1 3.77Å; K2942-L2946 VanDerWaalsContact O-CB 3.27Å; K2942-L2946 WeakPolarHBondContact O-CB 3.3Å; K2942-L2946 PolarHBondContact O-N 3.25Å; V2943-L2946 PolarHBondContact O-N 3.1Å; S2944-L2946 VanDerWaalsContact C-N 3.35Å; L2946-K2948 VanDerWaalsContact C-N 3.32Å; L2946-K2948 PolarHBondContact O-N 3.3Å; L2946-R2949 PolarHBondContact O-N 2.97Å; L2946-K2950 HydrophobicContact CD2-CD 4.46Å; L2946-K2950 WeakPolarHBondContact O-CB 3.42Å; L2946-K2950 PolarHBondContact O-N 3.2Å; L2946-F2954 HydrophobicContact CD2-CE2 3.54Å; L2946-F2954 VanDerWaalsContact CD2-CE2 3.49Å; L2946-F2954 HydrophobicContact CD2-CZ 3.46Å; L2946-F2954 VanDerWaalsContact CD2-CZ 3.46Å
2947V79.5Confident77.2Confident22.4 Ų22.470.3 Ų70.314%0.13636%0.362CS..Hα-helixtrans-64.4-36.3176.9172.90000111.3V2943 K2950 S2951 F2954 V2973 M2977V2943-V2947 HydrophobicContact CG1-CG2 4.17Å; V2943-V2947 WeakPolarHBondContact O-CB 3.33Å; V2943-V2947 VanDerWaalsContact O-CG2 3.29Å; V2943-V2947 WeakPolarHBondContact O-CG2 3.42Å; V2943-V2947 PolarHBondContact O-N 3.21Å; V2947-K2950 CarbonylContact O-C 3.55Å; V2947-S2951 WeakPolarHBondContact O-CA 3.42Å; V2947-S2951 WeakPolarHBondContact O-CB 3.38Å; V2947-S2951 PolarHBondContact O-N 3.08Å; V2947-S2951 VanDerWaalsContact O-N 3.1Å; V2947-F2954 HydrophobicContact CB-CD2 4.33Å; V2947-F2954 HydrophobicContact CB-CE2 4.39Å; V2947-F2954 HydrophobicContact CG1-CD2 4.32Å; V2947-F2954 HydrophobicContact CG1-CG 4.39Å; V2947-F2954 HydrophobicContact CG2-CD1 4.15Å; V2947-F2954 HydrophobicContact CG2-CD2 4.04Å; V2947-F2954 HydrophobicContact CG2-CE1 4.07Å; V2947-F2954 HydrophobicContact CG2-CE2 3.97Å; V2947-F2954 HydrophobicContact CG2-CG 4.15Å; V2947-F2954 HydrophobicContact CG2-CZ 3.99Å; V2947-V2973 HydrophobicContact CG2-CG1 4.18Å; V2947-M2977 HydrophobicContact CG1-CE 4.43Å
2948K77.9Confident77.6Confident162.8 Ų162.868.5 Ų68.571%0.70835%0.347SS*.Hα-helixtrans-68.1-44.5173.8-77.1173.6-176.3172.30112.3S2944 E2945 L2946 K2950S2944-K2948 WeakPolarHBondContact O-CB 3.39Å; S2944-K2948 VanDerWaalsContact O-CG 3.26Å; S2944-K2948 WeakPolarHBondContact O-CG 3.35Å; S2944-K2948 PolarHBondContact O-N 3.23Å; S2944-K2948 VanDerWaalsContact O-N 3.07Å; E2945-K2948 PolarHBondContact O-N 3.16Å; L2946-K2948 VanDerWaalsContact C-N 3.32Å; L2946-K2948 PolarHBondContact O-N 3.3Å; K2948-K2950 VanDerWaalsContact C-N 3.32Å; K2948-K2950 PolarHBondContact O-N 3.04Å
2949R81.7Confident77.6Confident171.8 Ų171.862.5 Ų62.565%0.64832%0.319SS*.Hα-helixtrans-69.1-35.9-176.8-173.5177.382.9-166.4-0.9112.6E2898 E2945 L2946E2898-R2949 IonicContact OE1-NH2 3.51Å; E2945-R2949 VanDerWaalsContact O-CB 3.28Å; E2945-R2949 WeakPolarHBondContact O-CB 3.41Å; E2945-R2949 PolarHBondContact O-N 3.01Å; L2946-R2949 PolarHBondContact O-N 2.97Å
2950K78.6Confident77.7Confident55.4 Ų55.469.5 Ų69.524%0.24135%0.349CS..THydrogen-bonded Turntrans-123.746.1-175-62.3-159.5-178.1169.40111.5D2895 E2898 L2946 V2947 K2948 S2952 S2953 F2954D2895-K2950 HydrophobicContact CB-CB 4.4Å; D2895-K2950 HydrophobicContact CB-CD 4.26Å; D2895-K2950 VanDerWaalsContact CG-CD 3.4Å; D2895-K2950 VanDerWaalsContact CG-NZ 3.3Å; D2895-K2950 VanDerWaalsContact OD1-CD 3.25Å; D2895-K2950 WeakPolarHBondContact OD1-CD 3.27Å; D2895-K2950 VanDerWaalsContact OD1-CE 3.23Å; D2895-K2950 WeakPolarHBondContact OD1-CE 3.3Å; D2895-K2950 IonicContact OD1-NZ 2.79Å; D2895-K2950 PolarHBondContact OD1-NZ 3.12Å; D2895-K2950 WeakPolarHBondContact OD2-CB 3.44Å; D2895-K2950 VanDerWaalsContact OD2-CD 3.29Å; D2895-K2950 WeakPolarHBondContact OD2-CD 3.25Å; D2895-K2950 WeakPolarHBondContact OD2-CG 3.44Å; D2895-K2950 IonicContact OD2-NZ 3.26Å; D2895-K2950 PolarHBondContact OD2-NZ 2.83Å; E2898-K2950 IonicContact OE2-NZ 3.17Å; E2898-K2950 PolarHBondContact OE2-NZ 3.39Å; L2946-K2950 HydrophobicContact CD2-CD 4.46Å; L2946-K2950 WeakPolarHBondContact O-CB 3.42Å; L2946-K2950 PolarHBondContact O-N 3.2Å; V2947-K2950 CarbonylContact O-C 3.55Å; K2948-K2950 VanDerWaalsContact C-N 3.32Å; K2948-K2950 PolarHBondContact O-N 3.04Å; K2950-S2952 PolarHBondContact O-N 3.12Å; K2950-S2952 VanDerWaalsContact O-N 3.13Å; K2950-S2953 WeakPolarHBondContact O-CB 3.43Å; K2950-S2953 PolarHBondContact O-N 2.87Å; K2950-F2954 HydrophobicContact CB-CE2 4.49Å; K2950-F2954 VanDerWaalsContact O-CD2 3.31Å; K2950-F2954 WeakPolarHBondContact O-CD2 3.3Å
2951S73.9Confident77.8Confident77.2 Ų77.279 Ų7954%0.5438%0.384SS..Hα-helixtrans-56.2-34.7-174.165.40000113.5V2947 S2953 F2954 E2955V2947-S2951 WeakPolarHBondContact O-CA 3.42Å; V2947-S2951 WeakPolarHBondContact O-CB 3.38Å; V2947-S2951 PolarHBondContact O-N 3.08Å; V2947-S2951 VanDerWaalsContact O-N 3.1Å; S2951-S2953 PolarHBondContact O-N 3.12Å; S2951-F2954 PolarHBondContact O-N 3.29Å; S2951-F2954 VanDerWaalsContact O-N 3.1Å; S2951-E2955 PolarHBondContact O-N 3.16Å
2952S78.8Confident77.5Confident67.4 Ų67.474.1 Ų74.147%0.47137%0.366SS..Hα-helixtrans-59.7-30.2176.8550000113.2K2950 F2954 N2958K2950-S2952 PolarHBondContact O-N 3.12Å; K2950-S2952 VanDerWaalsContact O-N 3.13Å; S2952-F2954 VanDerWaalsContact C-N 3.34Å; S2952-N2958 WeakPolarHBondContact O-CB 3.37Å; S2952-N2958 PolarHBondContact O-ND2 2.99Å
2953S75.8Confident77.3Confident6 Ų670 Ų704%0.04235%0.35CS..Hα-helixtrans-74.8-24.8179.5-61.90000113D2895 I2896 K2950 S2951D2895-S2953 VanDerWaalsContact OD2-CB 3.27Å; D2895-S2953 WeakPolarHBondContact OD2-CB 3.39Å; D2895-S2953 PolarHBondContact OD2-OG 3.28Å; I2896-S2953 WeakPolarHBondContact CD1-O 3.26Å; K2950-S2953 WeakPolarHBondContact O-CB 3.43Å; K2950-S2953 PolarHBondContact O-N 2.87Å; S2951-S2953 PolarHBondContact O-N 3.12Å
2954F77.6Confident77.3Confident15 Ų1573.1 Ų73.17%0.06638%0.376CS..Hα-helixtrans-96.4-1.9-179.3-65-86.1000113.6D2895 I2896 A2899 L2946 V2947 K2950 S2951 S2952 A2970 V2973D2895-F2954 HydrophobicContact CB-CE2 4.36Å; D2895-F2954 HydrophobicContact CB-CZ 4.44Å; D2895-F2954 WeakPolarHBondContact O-CZ 3.29Å; I2896-F2954 HydrophobicContact CB-CE1 4.48Å; I2896-F2954 HydrophobicContact CG1-CD1 4.23Å; I2896-F2954 HydrophobicContact CG1-CE1 4.12Å; A2899-F2954 HydrophobicContact CB-CE1 3.72Å; A2899-F2954 HydrophobicContact CB-CZ 3.72Å; L2946-F2954 HydrophobicContact CD2-CE2 3.54Å; L2946-F2954 VanDerWaalsContact CD2-CE2 3.49Å; L2946-F2954 HydrophobicContact CD2-CZ 3.46Å; L2946-F2954 VanDerWaalsContact CD2-CZ 3.46Å; V2947-F2954 HydrophobicContact CB-CD2 4.33Å; V2947-F2954 HydrophobicContact CB-CE2 4.39Å; V2947-F2954 HydrophobicContact CG1-CD2 4.32Å; V2947-F2954 HydrophobicContact CG1-CG 4.39Å; V2947-F2954 HydrophobicContact CG2-CD1 4.15Å; V2947-F2954 HydrophobicContact CG2-CD2 4.04Å; V2947-F2954 HydrophobicContact CG2-CE1 4.07Å; V2947-F2954 HydrophobicContact CG2-CE2 3.97Å; V2947-F2954 HydrophobicContact CG2-CG 4.15Å; V2947-F2954 HydrophobicContact CG2-CZ 3.99Å; K2950-F2954 HydrophobicContact CB-CE2 4.49Å; K2950-F2954 VanDerWaalsContact O-CD2 3.31Å; K2950-F2954 WeakPolarHBondContact O-CD2 3.3Å; S2951-F2954 PolarHBondContact O-N 3.29Å; S2951-F2954 VanDerWaalsContact O-N 3.1Å; S2952-F2954 VanDerWaalsContact C-N 3.34Å; F2954-A2970 HydrophobicContact CD1-CB 4.21Å; F2954-V2973 HydrophobicContact CD1-CG1 4.27Å; F2954-V2973 HydrophobicContact CE1-CB 4.42Å; F2954-V2973 HydrophobicContact CE1-CG1 4.12Å
2955E78.7Confident77Confident103.2 Ų103.271.8 Ų71.848%0.48237%0.367SS..SBendtrans-67.8132.8171.4-91.8-160.4159.600110.8S2951 S2957 N2958 A2959S2951-E2955 PolarHBondContact O-N 3.16Å; E2955-S2957 PolarHBondContact O-N 3.18Å; E2955-S2957 VanDerWaalsContact O-N 3.12Å; E2955-S2957 PolarHBondContact OE2-OG 3.11Å; E2955-N2958 HydrophobicContact CB-CB 4.45Å; E2955-N2958 PolarHBondContact O-N 3.21Å; E2955-N2958 VanDerWaalsContact O-N 3.15Å; E2955-N2958 PolarHBondContact OE2-ND2 3.14Å; E2955-A2959 VanDerWaalsContact O-CB 3.3Å; E2955-A2959 WeakPolarHBondContact O-CB 3.32Å; E2955-A2959 PolarHBondContact O-N 3.26Å
2956P73.3Confident76.9Confident95.2 Ų95.265.8 Ų65.862%0.61834%0.339SS*.Hα-helixtrans-59.6-29.6-176.212.1-19.5000113.1K2960P2956-K2960 WeakPolarHBondContact O-CB 3.4Å; P2956-K2960 PolarHBondContact O-N 3.16Å; P2956-K2960 VanDerWaalsContact O-N 3.1Å
2957S76Confident76.9Confident67 Ų6766.2 Ų66.247%0.46934%0.343SS..Hα-helixtrans-66.9-49.6176.5520000112.5E2955 R2961E2955-S2957 PolarHBondContact O-N 3.18Å; E2955-S2957 VanDerWaalsContact O-N 3.12Å; E2955-S2957 PolarHBondContact OE2-OG 3.11Å; S2957-R2961 WeakPolarHBondContact O-CB 3.34Å; S2957-R2961 PolarHBondContact O-N 3.1Å; S2957-R2961 VanDerWaalsContact O-N 3.09Å
2958N79.1Confident76.9Confident49.8 Ų49.866 Ų6627%0.26634%0.343SS..Hα-helixtrans-73.8-40.1-178.9-68.5-27.1000111.9S2952 E2955 K2960 R2961 A2962S2952-N2958 WeakPolarHBondContact O-CB 3.37Å; S2952-N2958 PolarHBondContact O-ND2 2.99Å; E2955-N2958 HydrophobicContact CB-CB 4.45Å; E2955-N2958 PolarHBondContact O-N 3.21Å; E2955-N2958 VanDerWaalsContact O-N 3.15Å; E2955-N2958 PolarHBondContact OE2-ND2 3.14Å; N2958-K2960 VanDerWaalsContact C-N 3.31Å; N2958-K2960 PolarHBondContact O-N 3.15Å; N2958-R2961 WeakPolarHBondContact O-CB 3.23Å; N2958-R2961 PolarHBondContact O-N 3.09Å; N2958-A2962 PolarHBondContact O-N 3.02Å; N2958-A2962 VanDerWaalsContact O-N 3.13Å
2959A75.2Confident77.1Confident0 Ų058.5 Ų58.50%031%0.31CS..Hα-helixtrans-61.1-44.2175.500000111.2I2896 E2955 R2961 A2962 S2963 A2966 A2967 A2970I2896-A2959 HydrophobicContact CD1-CB 3.69Å; E2955-A2959 VanDerWaalsContact O-CB 3.3Å; E2955-A2959 WeakPolarHBondContact O-CB 3.32Å; E2955-A2959 PolarHBondContact O-N 3.26Å; A2959-R2961 VanDerWaalsContact C-N 3.31Å; A2959-R2961 PolarHBondContact O-N 3.04Å; A2959-A2962 WeakPolarHBondContact O-CB 3.28Å; A2959-A2962 PolarHBondContact O-N 3.09Å; A2959-A2962 VanDerWaalsContact O-N 3.15Å; A2959-S2963 PolarHBondContact O-N 3.16Å; A2959-S2963 VanDerWaalsContact O-N 3.15Å; A2959-S2963 VanDerWaalsContact O-O 3.05Å; A2959-A2966 HydrophobicContact CB-CB 4.42Å; A2959-A2966 WeakPolarHBondContact O-CB 3.33Å; A2959-A2967 HydrophobicContact CB-CB 4.08Å; A2959-A2970 HydrophobicContact CB-CB 4.24Å
2960K77.6Confident77Confident151.2 Ų151.250.4 Ų50.466%0.65728%0.28SS*.Hα-helixtrans-66.1-34.5178-167.9173.6-175.8176.30112.8P2956 N2958 A2962 S2963 A2967P2956-K2960 WeakPolarHBondContact O-CB 3.4Å; P2956-K2960 PolarHBondContact O-N 3.16Å; P2956-K2960 VanDerWaalsContact O-N 3.1Å; N2958-K2960 VanDerWaalsContact C-N 3.31Å; N2958-K2960 PolarHBondContact O-N 3.15Å; K2960-A2962 VanDerWaalsContact C-N 3.29Å; K2960-A2962 PolarHBondContact O-N 3.46Å; K2960-S2963 CarbonylContact O-C 3.5Å; K2960-A2967 HydrophobicContact CB-CB 3.86Å; K2960-A2967 HydrophobicContact CG-CB 4.49Å
2961R76Confident77.2Confident217.4 Ų217.449.6 Ų49.682%0.8228%0.284SS*.Hα-helixtrans-65.8-32.3174.1-132.9-177.7-151.91601.4112.3S2957 N2958 A2959S2957-R2961 WeakPolarHBondContact O-CB 3.34Å; S2957-R2961 PolarHBondContact O-N 3.1Å; S2957-R2961 VanDerWaalsContact O-N 3.09Å; N2958-R2961 WeakPolarHBondContact O-CB 3.23Å; N2958-R2961 PolarHBondContact O-N 3.09Å; A2959-R2961 VanDerWaalsContact C-N 3.31Å; A2959-R2961 PolarHBondContact O-N 3.04Å
2962A72.2Confident77.8Confident31.4 Ų31.446 Ų4626%0.2626%0.258SS..Hα-helixtrans-78.8-42.2179.800000112.9T2892 I2893 N2958 A2959 K2960T2892-A2962 HydrophobicContact CG2-CB 4.48Å; T2892-A2962 WeakPolarHBondContact OG1-CB 3.24Å; I2893-A2962 HydrophobicContact CD1-CB 4.43Å; I2893-A2962 HydrophobicContact CG1-CB 3.97Å; N2958-A2962 PolarHBondContact O-N 3.02Å; N2958-A2962 VanDerWaalsContact O-N 3.13Å; A2959-A2962 WeakPolarHBondContact O-CB 3.28Å; A2959-A2962 PolarHBondContact O-N 3.09Å; A2959-A2962 VanDerWaalsContact O-N 3.15Å; K2960-A2962 VanDerWaalsContact C-N 3.29Å; K2960-A2962 PolarHBondContact O-N 3.46Å
2963S74.2Confident78Confident11.8 Ų11.842.8 Ų42.88%0.08324%0.236CC..  trans-162.7145170.4175.40000110.1I2883 A2959 K2960 A2965 A2966I2883-S2963 WeakPolarHBondContact CD1-OG 3.44Å; A2959-S2963 PolarHBondContact O-N 3.16Å; A2959-S2963 VanDerWaalsContact O-N 3.15Å; A2959-S2963 VanDerWaalsContact O-O 3.05Å; K2960-S2963 CarbonylContact O-C 3.5Å; S2963-A2965 PolarHBondContact O-N 3.11Å; S2963-A2965 VanDerWaalsContact O-N 3.14Å; S2963-A2965 PolarHBondContact OG-N 2.96Å; S2963-A2966 PolarHBondContact O-N 3.2Å; S2963-A2966 VanDerWaalsContact O-N 3.08Å
2964A77.1Confident78.3Confident65.8 Ų65.844.5 Ų44.554%0.54425%0.246SC..THydrogen-bonded Turntrans-56.3-2917200000112.7P2968A2964-P2968 VanDerWaalsContact O-CD 3.29Å; A2964-P2968 WeakPolarHBondContact O-CD 3.33Å
2965A74.3Confident78.4Confident0.6 Ų0.644.1 Ų44.11%0.00525%0.246CC..THydrogen-bonded Turntrans-83.1-19.3177.800000113.9I2875 L2880 I2883 S2963 P2968 L2969I2875-A2965 HydrophobicContact CD1-CB 4.45Å; I2875-A2965 HydrophobicContact CG2-CB 3.71Å; L2880-A2965 HydrophobicContact CD2-CB 4.17Å; I2883-A2965 HydrophobicContact CD1-CB 4.07Å; S2963-A2965 PolarHBondContact O-N 3.11Å; S2963-A2965 VanDerWaalsContact O-N 3.14Å; S2963-A2965 PolarHBondContact OG-N 2.96Å; A2965-P2968 WeakPolarHBondContact O-CD 3.33Å; A2965-L2969 WeakPolarHBondContact O-CD1 3.36Å; A2965-L2969 WeakPolarHBondContact O-CG 3.4Å
2966A77.6Confident78.5Confident2.2 Ų2.239.4 Ų39.42%0.01822%0.224CC..Hα-helixtrans-76.7-34.4-174.700000112.9I2893 I2896 A2959 S2963 L2969 A2970I2893-A2966 HydrophobicContact CG1-CB 4.43Å; I2896-A2966 HydrophobicContact CD1-CB 3.79Å; A2959-A2966 HydrophobicContact CB-CB 4.42Å; A2959-A2966 WeakPolarHBondContact O-CB 3.33Å; S2963-A2966 PolarHBondContact O-N 3.2Å; S2963-A2966 VanDerWaalsContact O-N 3.08Å; A2966-L2969 PolarHBondContact O-N 3.11Å; A2966-A2970 PolarHBondContact O-N 3.27Å; A2966-A2970 VanDerWaalsContact O-N 3.15Å
2967A78.8Confident78.8Confident16.8 Ų16.836.4 Ų36.414%0.13920%0.202CC..Hα-helixtrans-62.9-47.4179.100000114.3A2959 K2960 L2969 A2970 A2971A2959-A2967 HydrophobicContact CB-CB 4.08Å; K2960-A2967 HydrophobicContact CB-CB 3.86Å; K2960-A2967 HydrophobicContact CG-CB 4.49Å; A2967-L2969 VanDerWaalsContact C-N 3.3Å; A2967-L2969 PolarHBondContact O-N 3.25Å; A2967-A2970 PolarHBondContact O-N 3.31Å; A2967-A2971 PolarHBondContact O-N 3.01Å; A2967-A2971 VanDerWaalsContact O-N 3.08Å
2968P81.1Confident78.9Confident18.2 Ų18.238 Ų3812%0.11820%0.2CC..Hα-helixtrans-60.4-37.9174.5-25.835.1000113.4D2871 V2872 I2875 A2964 A2965 A2971 W2972D2871-P2968 HydrophobicContact CB-CB 4.12Å; D2871-P2968 WeakPolarHBondContact O-CB 3.34Å; V2872-P2968 HydrophobicContact CG2-CB 4.35Å; I2875-P2968 HydrophobicContact CD1-CB 4.03Å; I2875-P2968 HydrophobicContact CD1-CG 4.46Å; I2875-P2968 HydrophobicContact CG1-CB 4.05Å; I2875-P2968 HydrophobicContact CG1-CG 4.06Å; A2964-P2968 VanDerWaalsContact O-CD 3.29Å; A2964-P2968 WeakPolarHBondContact O-CD 3.33Å; A2965-P2968 WeakPolarHBondContact O-CD 3.33Å; P2968-A2971 PolarHBondContact O-N 3.02Å; P2968-W2972 WeakPolarHBondContact O-CB 3.35Å; P2968-W2972 PolarHBondContact O-N 3.03Å; P2968-W2972 VanDerWaalsContact O-N 3.16Å
2969L81.1Confident78.8Confident5 Ų537.3 Ų37.33%0.02619%0.194CC..Hα-helixtrans-66.6-39.7178-68.3173.7000112V2872 I2875 I2896 L2897 V2900 I2927 A2965 A2966 A2967 W2972 V2973V2872-L2969 HydrophobicContact CG2-CD2 4.4Å; I2875-L2969 HydrophobicContact CD1-CD2 4.22Å; I2875-L2969 HydrophobicContact CD1-CG 4.11Å; I2896-L2969 HydrophobicContact CG2-CB 3.59Å; I2896-L2969 HydrophobicContact CG2-CD1 4.48Å; L2897-L2969 HydrophobicContact CD2-CD1 4.35Å; V2900-L2969 HydrophobicContact CG2-CB 4.36Å; V2900-L2969 HydrophobicContact CG2-CD2 4.4Å; I2927-L2969 HydrophobicContact CD1-CD2 3.76Å; I2927-L2969 HydrophobicContact CG2-CD2 4.44Å; A2965-L2969 WeakPolarHBondContact O-CD1 3.36Å; A2965-L2969 WeakPolarHBondContact O-CG 3.4Å; A2966-L2969 PolarHBondContact O-N 3.11Å; A2967-L2969 VanDerWaalsContact C-N 3.3Å; A2967-L2969 PolarHBondContact O-N 3.25Å; L2969-W2972 PolarHBondContact O-N 3.13Å; L2969-V2973 WeakPolarHBondContact O-CG2 3.28Å; L2969-V2973 PolarHBondContact O-N 3.19Å
2970A80.6Confident78.6Confident1.2 Ų1.237.6 Ų37.61%0.0120%0.197CC..Hα-helixtrans-62.6-44174.600000111.9I2896 F2954 A2959 A2966 A2967 W2972 V2973 V2974I2896-A2970 HydrophobicContact CD1-CB 4.07Å; I2896-A2970 HydrophobicContact CG1-CB 4.16Å; I2896-A2970 HydrophobicContact CG2-CB 4.4Å; F2954-A2970 HydrophobicContact CD1-CB 4.21Å; A2959-A2970 HydrophobicContact CB-CB 4.24Å; A2966-A2970 PolarHBondContact O-N 3.27Å; A2966-A2970 VanDerWaalsContact O-N 3.15Å; A2967-A2970 PolarHBondContact O-N 3.31Å; A2970-W2972 VanDerWaalsContact C-N 3.32Å; A2970-W2972 PolarHBondContact O-N 3.09Å; A2970-V2973 PolarHBondContact O-N 3.12Å; A2970-V2974 WeakPolarHBondContact O-CG2 3.28Å; A2970-V2974 PolarHBondContact O-N 3.06Å; A2970-V2974 VanDerWaalsContact O-N 3.1Å
2971A82Confident78.5Confident39.4 Ų39.434 Ų3433%0.32619%0.185SC..Hα-helixtrans-60.9-41.3176.300000111.9A2967 P2968 V2973 V2974 A2975A2967-A2971 PolarHBondContact O-N 3.01Å; A2967-A2971 VanDerWaalsContact O-N 3.08Å; P2968-A2971 PolarHBondContact O-N 3.02Å; A2971-V2973 PolarHBondContact O-N 2.98Å; A2971-V2974 PolarHBondContact O-N 3.12Å; A2971-A2975 WeakPolarHBondContact O-CB 3.3Å; A2971-A2975 PolarHBondContact O-N 3.27Å; A2971-A2975 VanDerWaalsContact O-N 3.08Å
2972W85.8Confident78.2Confident1.2 Ų1.225.6 Ų25.61%0.00516%0.156CC..Hα-helixtrans-62.5-42.1175.818096000113.4A2868 V2872 V2900 F2903 M2904 I2927 F2930 P2968 L2969 A2970 V2974 A2975 N2976A2868-W2972 HydrophobicContact CB-CB 4.41Å; V2872-W2972 HydrophobicContact CG2-CB 3.72Å; V2872-W2972 HydrophobicContact CG2-CG 4.01Å; V2900-W2972 HydrophobicContact CB-CZ3 4.46Å; V2900-W2972 HydrophobicContact CG1-CZ3 4.37Å; V2900-W2972 HydrophobicContact CG2-CE3 4.31Å; V2900-W2972 HydrophobicContact CG2-CZ3 4.27Å; F2903-W2972 HydrophobicContact CB-CH2 4.06Å; F2903-W2972 HydrophobicContact CB-CZ3 4.15Å; F2903-W2972 HydrophobicContact CD2-CH2 4.32Å; F2903-W2972 AromaticContact CD2-CZ3 3.83Å; F2903-W2972 HydrophobicContact CD2-CZ3 3.83Å; F2903-W2972 HydrophobicContact CG-CZ3 4.43Å; M2904-W2972 HydrophobicContact CE-CH2 3.8Å; M2904-W2972 HydrophobicContact CE-CZ2 3.94Å; I2927-W2972 HydrophobicContact CG2-CD2 3.81Å; I2927-W2972 VanDerWaalsContact CG2-CE2 3.42Å; I2927-W2972 HydrophobicContact CG2-CE3 4.35Å; I2927-W2972 HydrophobicContact CG2-CG 4.1Å; I2927-W2972 HydrophobicContact CG2-CH2 4.42Å; I2927-W2972 HydrophobicContact CG2-CZ2 3.9Å; I2927-W2972 WeakPolarHBondContact O-CZ2 3.32Å; I2927-W2972 PolarHBondContact O-NE1 3.2Å; I2927-W2972 VanDerWaalsContact O-NE1 3.1Å; F2930-W2972 HydrophobicContact CB-CH2 4.43Å; F2930-W2972 HydrophobicContact CB-CZ2 3.63Å; F2930-W2972 AromaticContact CD1-CH2 3.91Å; F2930-W2972 HydrophobicContact CD1-CH2 3.91Å; F2930-W2972 AromaticContact CD1-CZ2 3.58Å; F2930-W2972 HydrophobicContact CD1-CZ2 3.58Å; F2930-W2972 HydrophobicContact CE1-CH2 4.32Å; F2930-W2972 HydrophobicContact CE1-CZ2 4.37Å; F2930-W2972 HydrophobicContact CG-CH2 4.1Å; F2930-W2972 AromaticContact CG-CZ2 3.7Å; F2930-W2972 HydrophobicContact CG-CZ2 3.7Å; P2968-W2972 WeakPolarHBondContact O-CB 3.35Å; P2968-W2972 PolarHBondContact O-N 3.03Å; P2968-W2972 VanDerWaalsContact O-N 3.16Å; L2969-W2972 PolarHBondContact O-N 3.13Å; A2970-W2972 VanDerWaalsContact C-N 3.32Å; A2970-W2972 PolarHBondContact O-N 3.09Å; W2972-V2974 PolarHBondContact O-N 3.16Å; W2972-A2975 PolarHBondContact O-N 3.02Å; W2972-N2976 VanDerWaalsContact CD2-ND2 3.28Å; W2972-N2976 WeakPolarHBondContact CZ2-ND2 3.45Å; W2972-N2976 PolarHBondContact NE1-ND2 3.21Å; W2972-N2976 PolarHBondContact O-N 3.3Å; W2972-N2976 VanDerWaalsContact O-N 3.08Å; W2972-N2976 PolarHBondContact O-ND2 3.13Å
2973V83.9Confident78.2Confident0.2 Ų0.225.6 Ų25.60%0.00115%0.151CC..Hα-helixtrans-61.1-47.6175.4169.80000110.4A2899 V2900 F2903 V2943 V2947 F2954 L2969 A2970 A2971 A2975 N2976 M2977A2899-V2973 HydrophobicContact CB-CB 4.45Å; A2899-V2973 HydrophobicContact CB-CG1 3.74Å; A2899-V2973 HydrophobicContact CB-CG2 3.93Å; V2900-V2973 HydrophobicContact CG2-CG2 3.74Å; F2903-V2973 HydrophobicContact CD2-CB 4.49Å; F2903-V2973 HydrophobicContact CD2-CG1 4.33Å; F2903-V2973 HydrophobicContact CD2-CG2 4.38Å; F2903-V2973 HydrophobicContact CE2-CB 4.24Å; F2903-V2973 HydrophobicContact CE2-CG1 3.74Å; F2903-V2973 HydrophobicContact CE2-CG2 4.45Å; F2903-V2973 VanDerWaalsContact CE2-O 3.31Å; F2903-V2973 WeakPolarHBondContact CE2-O 3.4Å; V2943-V2973 HydrophobicContact CG1-CG1 3.68Å; V2947-V2973 HydrophobicContact CG2-CG1 4.18Å; F2954-V2973 HydrophobicContact CD1-CG1 4.27Å; F2954-V2973 HydrophobicContact CE1-CB 4.42Å; F2954-V2973 HydrophobicContact CE1-CG1 4.12Å; L2969-V2973 WeakPolarHBondContact O-CG2 3.28Å; L2969-V2973 PolarHBondContact O-N 3.19Å; A2970-V2973 PolarHBondContact O-N 3.12Å; A2971-V2973 PolarHBondContact O-N 2.98Å; V2973-A2975 VanDerWaalsContact C-N 3.32Å; V2973-A2975 PolarHBondContact O-N 3.02Å; V2973-N2976 PolarHBondContact O-N 3Å; V2973-M2977 WeakPolarHBondContact O-CB 3.35Å; V2973-M2977 PolarHBondContact O-N 3.06Å
2974V81.1Confident78Confident41.4 Ų41.430 Ų3025%0.25117%0.174SC..Hα-helixtrans-65.3-38.1-178.3175.90000111.9A2970 A2971 W2972 K2978A2970-V2974 WeakPolarHBondContact O-CG2 3.28Å; A2970-V2974 PolarHBondContact O-N 3.06Å; A2970-V2974 VanDerWaalsContact O-N 3.1Å; A2971-V2974 PolarHBondContact O-N 3.12Å; W2972-V2974 PolarHBondContact O-N 3.16Å; V2974-K2978 HydrophobicContact CG1-CD 4.32Å; V2974-K2978 WeakPolarHBondContact O-CG 3.3Å; V2974-K2978 PolarHBondContact O-N 3.11Å; V2974-K2978 VanDerWaalsContact O-N 3.16Å
2975A79.6Confident77.7Confident8 Ų833.8 Ų33.87%0.06618%0.178CC..Hα-helixtrans-66.4-46178.400000112.4I2865 A2868 A2971 W2972 V2973 M2977 K2978 Y2979I2865-A2975 HydrophobicContact CG1-CB 4.3Å; A2868-A2975 HydrophobicContact CB-CB 3.67Å; A2971-A2975 WeakPolarHBondContact O-CB 3.3Å; A2971-A2975 PolarHBondContact O-N 3.27Å; A2971-A2975 VanDerWaalsContact O-N 3.08Å; W2972-A2975 PolarHBondContact O-N 3.02Å; V2973-A2975 VanDerWaalsContact C-N 3.32Å; V2973-A2975 PolarHBondContact O-N 3.02Å; A2975-M2977 VanDerWaalsContact C-N 3.34Å; A2975-M2977 PolarHBondContact O-N 3.24Å; A2975-K2978 PolarHBondContact O-N 3.06Å; A2975-Y2979 PolarHBondContact O-N 3.06Å; A2975-Y2979 VanDerWaalsContact O-N 3.12Å
2976N82.4Confident77.6Confident3.2 Ų3.233.9 Ų33.92%0.01718%0.178CC..Hα-helixtrans-66-36.3179.2-78.4-68.7000112.7F2903 I2935 W2972 V2973 K2978 Y2979 A2980F2903-N2976 HydrophobicContact CD2-CB 4.35Å; F2903-N2976 HydrophobicContact CE2-CB 4.1Å; F2903-N2976 HydrophobicContact CZ-CB 4.36Å; I2935-N2976 HydrophobicContact CD1-CB 4.08Å; W2972-N2976 VanDerWaalsContact CD2-ND2 3.28Å; W2972-N2976 WeakPolarHBondContact CZ2-ND2 3.45Å; W2972-N2976 PolarHBondContact NE1-ND2 3.21Å; W2972-N2976 PolarHBondContact O-N 3.3Å; W2972-N2976 VanDerWaalsContact O-N 3.08Å; W2972-N2976 PolarHBondContact O-ND2 3.13Å; V2973-N2976 PolarHBondContact O-N 3Å; N2976-K2978 PolarHBondContact O-N 2.9Å; N2976-Y2979 PolarHBondContact O-N 3.27Å; N2976-A2980 PolarHBondContact O-N 3.21Å; N2976-A2980 VanDerWaalsContact O-N 3.11Å
2977M79.2Confident77.2Confident32 Ų3235.8 Ų35.816%0.15819%0.194CC..Hα-helixtrans-59.4-48.2174.4-172.2-178.465.900111.8F2903 L2940 S2944 V2947 V2973 A2975 Y2979 A2980 D2981F2903-M2977 HydrophobicContact CE2-CB 4.4Å; F2903-M2977 HydrophobicContact CZ-CB 3.94Å; F2903-M2977 HydrophobicContact CZ-CG 4.39Å; L2940-M2977 HydrophobicContact CD1-CB 4.38Å; L2940-M2977 HydrophobicContact CD1-CG 3.86Å; S2944-M2977 VanDerWaalsContact CA-SD 3.58Å; V2947-M2977 HydrophobicContact CG1-CE 4.43Å; V2973-M2977 WeakPolarHBondContact O-CB 3.35Å; V2973-M2977 PolarHBondContact O-N 3.06Å; A2975-M2977 VanDerWaalsContact C-N 3.34Å; A2975-M2977 PolarHBondContact O-N 3.24Å; M2977-Y2979 VanDerWaalsContact C-N 3.32Å; M2977-Y2979 PolarHBondContact O-N 3.07Å; M2977-A2980 PolarHBondContact O-N 3.37Å; M2977-D2981 PolarHBondContact O-N 3.31Å; M2977-D2981 VanDerWaalsContact O-N 3.15Å
2978K76.9Confident77Confident101.4 Ų101.438.7 Ų38.744%0.44121%0.211SC..Hα-helixtrans-65.3-34.7-179.1-72.4-179.7179.71780112.9I2861 L2864 V2974 A2975 N2976 I2982I2861-K2978 HydrophobicContact CD1-CB 4.21Å; I2861-K2978 WeakPolarHBondContact CD1-O 3.39Å; L2864-K2978 HydrophobicContact CD1-CD 4.43Å; V2974-K2978 HydrophobicContact CG1-CD 4.32Å; V2974-K2978 WeakPolarHBondContact O-CG 3.3Å; V2974-K2978 PolarHBondContact O-N 3.11Å; V2974-K2978 VanDerWaalsContact O-N 3.16Å; A2975-K2978 PolarHBondContact O-N 3.06Å; N2976-K2978 PolarHBondContact O-N 2.9Å; K2978-I2982 PolarHBondContact O-N 3.13Å
2979Y78Confident76.7Confident35 Ų3539.4 Ų39.414%0.13721%0.214CC..Hα-helixtrans-70.2-45.2179.4-173.8-97000112.5L2858 I2861 E2862 I2865 A2932 H2933 A2975 N2976 M2977 D2981 I2982 L2983L2858-Y2979 HydrophobicContact CD2-CE2 4.26Å; I2861-Y2979 HydrophobicContact CB-CD2 4.45Å; I2861-Y2979 HydrophobicContact CG2-CD2 3.97Å; I2861-Y2979 HydrophobicContact CG2-CG 4.44Å; E2862-Y2979 HydrophobicContact CG-CE2 4.39Å; I2865-Y2979 VanDerWaalsContact CD1-CB 3.48Å; I2865-Y2979 HydrophobicContact CD1-CD1 4.07Å; I2865-Y2979 HydrophobicContact CD1-CD2 3.52Å; I2865-Y2979 HydrophobicContact CD1-CE2 3.97Å; I2865-Y2979 HydrophobicContact CD1-CG 3.47Å; I2865-Y2979 VanDerWaalsContact CD1-CG 3.46Å; I2865-Y2979 HydrophobicContact CG1-CD2 4.07Å; I2865-Y2979 HydrophobicContact CG1-CG 4.22Å; A2932-Y2979 HydrophobicContact CB-CD1 3.32Å; A2932-Y2979 HydrophobicContact CB-CE1 3.77Å; A2932-Y2979 HydrophobicContact CB-CG 4.25Å; H2933-Y2979 AromaticContact CE1-CE1 3.86Å; H2933-Y2979 AromaticContact NE2-CZ 3.95Å; H2933-Y2979 PolarHBondContact NE2-OH 2.92Å; A2975-Y2979 PolarHBondContact O-N 3.06Å; A2975-Y2979 VanDerWaalsContact O-N 3.12Å; N2976-Y2979 PolarHBondContact O-N 3.27Å; M2977-Y2979 VanDerWaalsContact C-N 3.32Å; M2977-Y2979 PolarHBondContact O-N 3.07Å; Y2979-D2981 VanDerWaalsContact C-N 3.29Å; Y2979-D2981 PolarHBondContact O-N 3.18Å; Y2979-I2982 PolarHBondContact O-N 3.25Å; Y2979-I2982 VanDerWaalsContact O-N 3.1Å; Y2979-L2983 HydrophobicContact CD1-CD1 3.71Å; Y2979-L2983 HydrophobicContact CD1-CG 4.14Å; Y2979-L2983 HydrophobicContact CE1-CD1 3.48Å; Y2979-L2983 VanDerWaalsContact CE1-CD1 3.43Å; Y2979-L2983 HydrophobicContact CE1-CD2 4.23Å; Y2979-L2983 HydrophobicContact CE1-CG 3.92Å; Y2979-L2983 PolarHBondContact O-N 3.11Å; Y2979-L2983 VanDerWaalsContact O-N 3.13Å
2980A72Confident76.2Confident5.6 Ų5.643.6 Ų43.65%0.04623%0.234CC..Hα-helixtrans-64.9-31.8178.700000113I2935 L2940 N2976 M2977 I2982 L2983 N2984I2935-A2980 HydrophobicContact CB-CB 4.22Å; I2935-A2980 HydrophobicContact CD1-CB 3.91Å; I2935-A2980 HydrophobicContact CG1-CB 4.44Å; I2935-A2980 HydrophobicContact CG2-CB 4.37Å; L2940-A2980 HydrophobicContact CD1-CB 3.32Å; L2940-A2980 HydrophobicContact CD2-CB 4.35Å; N2976-A2980 PolarHBondContact O-N 3.21Å; N2976-A2980 VanDerWaalsContact O-N 3.11Å; M2977-A2980 PolarHBondContact O-N 3.37Å; A2980-I2982 VanDerWaalsContact C-N 3.31Å; A2980-I2982 PolarHBondContact O-N 3.35Å; A2980-L2983 PolarHBondContact O-N 3.09Å; A2980-N2984 PolarHBondContact O-N 3.05Å; A2980-N2984 PolarHBondContact O-ND2 2.93Å
2981D73.7Confident75.7Confident75.8 Ų75.849.8 Ų49.841%0.40526%0.263SS..Hα-helixtrans-63.6-33.1172.2-108.55.8000113.1L2940 M2977 Y2979 K2985L2940-D2981 WeakPolarHBondContact CD2-OD1 3.36Å; M2977-D2981 PolarHBondContact O-N 3.31Å; M2977-D2981 VanDerWaalsContact O-N 3.15Å; Y2979-D2981 VanDerWaalsContact C-N 3.29Å; Y2979-D2981 PolarHBondContact O-N 3.18Å; D2981-K2985 WeakPolarHBondContact O-CG 3.38Å; D2981-K2985 PolarHBondContact O-N 3.28Å; D2981-K2985 IonicContact OD2-NZ 2.98Å
2982I71.5Confident75.3Confident42.4 Ų42.454 Ų5422%0.21727%0.273CS..Hα-helixtrans-79.6-37.8177.3-69.1-160.5000111.6I2861 K2978 Y2979 A2980 N2984 K2985 I2986I2861-I2982 HydrophobicContact CD1-CB 3.96Å; I2861-I2982 HydrophobicContact CD1-CD1 3.15Å; I2861-I2982 HydrophobicContact CD1-CG1 3.7Å; I2861-I2982 HydrophobicContact CD1-CG2 3.46Å; I2861-I2982 VanDerWaalsContact CD1-CG2 3.46Å; I2861-I2982 HydrophobicContact CG1-CD1 3.79Å; I2861-I2982 HydrophobicContact CG1-CG1 4.44Å; K2978-I2982 PolarHBondContact O-N 3.13Å; Y2979-I2982 PolarHBondContact O-N 3.25Å; Y2979-I2982 VanDerWaalsContact O-N 3.1Å; A2980-I2982 VanDerWaalsContact C-N 3.31Å; A2980-I2982 PolarHBondContact O-N 3.35Å; I2982-N2984 VanDerWaalsContact C-N 3.27Å; I2982-N2984 PolarHBondContact O-N 3.17Å; I2982-K2985 CarbonylContact O-C 3.55Å; I2982-K2985 WeakPolarHBondContact O-CA 3.32Å; I2982-K2985 WeakPolarHBondContact O-CB 3.25Å; I2982-K2985 PolarHBondContact O-N 3.06Å; I2982-I2986 HydrophobicContact CG2-CD1 3.64Å; I2982-I2986 HydrophobicContact CG2-CG1 4.08Å; I2982-I2986 HydrophobicContact CG2-CG2 4.28Å; I2982-I2986 WeakPolarHBondContact O-CG1 3.32Å; I2982-I2986 PolarHBondContact O-N 3.2Å; I2982-I2986 VanDerWaalsContact O-N 3.09Å
2983L71.3Confident74.9Confident30 Ų3057.2 Ų57.216%0.15729%0.287CS..Hα-helixtrans-53.9-44.2174.4-78.8173.9000111.9L2858 H2933 Y2979 A2980 K2985 I2986 A2987L2858-L2983 HydrophobicContact CD2-CD2 4.43Å; H2933-L2983 HydrophobicContact CB-CD1 4.32Å; H2933-L2983 VanDerWaalsContact CD2-CD1 3.44Å; H2933-L2983 WeakPolarHBondContact CD2-CD1 3.38Å; H2933-L2983 WeakPolarHBondContact CE1-CD2 3.42Å; H2933-L2983 WeakPolarHBondContact ND1-CD1 3.32Å; H2933-L2983 WeakPolarHBondContact ND1-CD2 3.42Å; H2933-L2983 VanDerWaalsContact NE2-CD2 3.34Å; H2933-L2983 WeakPolarHBondContact NE2-CD2 3.4Å; Y2979-L2983 HydrophobicContact CD1-CD1 3.71Å; Y2979-L2983 HydrophobicContact CD1-CG 4.14Å; Y2979-L2983 HydrophobicContact CE1-CD1 3.48Å; Y2979-L2983 VanDerWaalsContact CE1-CD1 3.43Å; Y2979-L2983 HydrophobicContact CE1-CD2 4.23Å; Y2979-L2983 HydrophobicContact CE1-CG 3.92Å; Y2979-L2983 PolarHBondContact O-N 3.11Å; Y2979-L2983 VanDerWaalsContact O-N 3.13Å; A2980-L2983 PolarHBondContact O-N 3.09Å; L2983-K2985 VanDerWaalsContact C-N 3.26Å; L2983-K2985 PolarHBondContact O-N 3.19Å; L2983-I2986 HydrophobicContact CD2-CD1 4.06Å; L2983-I2986 WeakPolarHBondContact O-CG1 3.14Å; L2983-I2986 PolarHBondContact O-N 3.11Å; L2983-I2986 VanDerWaalsContact O-N 3.1Å; L2983-A2987 PolarHBondContact O-N 3.02Å; L2983-A2987 VanDerWaalsContact O-N 3.12Å
2984N70Confident74.4Confident104.6 Ų104.663 Ų6356%0.55931%0.314SS*.Hα-helixtrans-62.7-28.5175.7-75.1-29.6000113.3A2980 I2982A2980-N2984 PolarHBondContact O-N 3.05Å; A2980-N2984 PolarHBondContact O-ND2 2.93Å; I2982-N2984 VanDerWaalsContact C-N 3.27Å; I2982-N2984 PolarHBondContact O-N 3.17Å
2985K70.3Confident74.3Confident145.4 Ų145.468.7 Ų68.763%0.63234%0.336SS*.Hα-helixtrans-82.4-19.2177.2-69.6176.2-177.5171.10113.9D2981 I2982 L2983D2981-K2985 WeakPolarHBondContact O-CG 3.38Å; D2981-K2985 PolarHBondContact O-N 3.28Å; D2981-K2985 IonicContact OD2-NZ 2.98Å; I2982-K2985 CarbonylContact O-C 3.55Å; I2982-K2985 WeakPolarHBondContact O-CA 3.32Å; I2982-K2985 WeakPolarHBondContact O-CB 3.25Å; I2982-K2985 PolarHBondContact O-N 3.06Å; L2983-K2985 VanDerWaalsContact C-N 3.26Å; L2983-K2985 PolarHBondContact O-N 3.19Å
2986I73.6Confident74.3Confident2.4 Ų2.469.6 Ų69.61%0.01234%0.339CS..Hα-helixtrans-93-24.3-179.1-34.9171.8000112.6I2854 K2857 L2858 I2982 L2983 P2988 L2989 E2990I2854-I2986 HydrophobicContact CG1-CG2 4.33Å; I2854-I2986 HydrophobicContact CG2-CD1 4.48Å; I2854-I2986 HydrophobicContact CG2-CG2 4.08Å; K2857-I2986 HydrophobicContact CB-CD1 4.11Å; K2857-I2986 HydrophobicContact CB-CG1 4.33Å; K2857-I2986 HydrophobicContact CB-CG2 4.45Å; K2857-I2986 HydrophobicContact CD-CG1 4.27Å; K2857-I2986 HydrophobicContact CD-CG2 4.25Å; L2858-I2986 HydrophobicContact CD1-CD1 4.27Å; L2858-I2986 HydrophobicContact CD2-CD1 3.82Å; L2858-I2986 HydrophobicContact CG-CD1 3.91Å; I2982-I2986 HydrophobicContact CG2-CD1 3.64Å; I2982-I2986 HydrophobicContact CG2-CG1 4.08Å; I2982-I2986 HydrophobicContact CG2-CG2 4.28Å; I2982-I2986 WeakPolarHBondContact O-CG1 3.32Å; I2982-I2986 PolarHBondContact O-N 3.2Å; I2982-I2986 VanDerWaalsContact O-N 3.09Å; L2983-I2986 HydrophobicContact CD2-CD1 4.06Å; L2983-I2986 WeakPolarHBondContact O-CG1 3.14Å; L2983-I2986 PolarHBondContact O-N 3.11Å; L2983-I2986 VanDerWaalsContact O-N 3.1Å; I2986-P2988 VanDerWaalsContact C-CD 3.46Å; I2986-P2988 VanDerWaalsContact C-N 3.33Å; I2986-P2988 WeakPolarHBondContact O-CD 3.47Å; I2986-P2988 VanDerWaalsContact O-N 3.12Å; I2986-L2989 HydrophobicContact CG2-CD1 4.13Å; I2986-L2989 WeakPolarHBondContact O-CA 3.28Å; I2986-L2989 WeakPolarHBondContact O-CB 3.38Å; I2986-L2989 PolarHBondContact O-N 2.97Å; I2986-E2990 HydrophobicContact CG2-CG 3.98Å; I2986-E2990 PolarHBondContact O-N 3.14Å
2987A67.8Low74.1Confident42.6 Ų42.673.8 Ų73.835%0.35236%0.359SS..Hα-helixtrans-46.7-41.1-178.900000116L2983 L2989 E2990 Q2991L2983-A2987 PolarHBondContact O-N 3.02Å; L2983-A2987 VanDerWaalsContact O-N 3.12Å; A2987-L2989 VanDerWaalsContact C-N 3.33Å; A2987-L2989 PolarHBondContact O-N 3.19Å; A2987-E2990 PolarHBondContact O-N 3.1Å; A2987-Q2991 WeakPolarHBondContact O-CG 3.39Å; A2987-Q2991 PolarHBondContact O-N 3.09Å
2988P75.6Confident74.1Confident77.6 Ų77.679.7 Ų79.750%0.50438%0.384SS..Hα-helixtrans-67.7-29.1178-10.820.3000114I2986 K2992I2986-P2988 VanDerWaalsContact C-CD 3.46Å; I2986-P2988 VanDerWaalsContact C-N 3.33Å; I2986-P2988 WeakPolarHBondContact O-CD 3.47Å; I2986-P2988 VanDerWaalsContact O-N 3.12Å; P2988-K2992 PolarHBondContact O-N 3.01Å
2989L74.7Confident74.2Confident33.2 Ų33.276.7 Ų76.717%0.17438%0.375CS..Hα-helixtrans-76.6-37.3-179.9-65.6170.7000111.2I2854 K2857 I2986 A2987 Q2991 K2992 K2993I2854-L2989 HydrophobicContact CD1-CB 4Å; I2854-L2989 HydrophobicContact CG1-CB 3.83Å; I2854-L2989 HydrophobicContact CG1-CD1 4.38Å; K2857-L2989 HydrophobicContact CD-CD1 4.35Å; I2986-L2989 HydrophobicContact CG2-CD1 4.13Å; I2986-L2989 WeakPolarHBondContact O-CA 3.28Å; I2986-L2989 WeakPolarHBondContact O-CB 3.38Å; I2986-L2989 PolarHBondContact O-N 2.97Å; A2987-L2989 VanDerWaalsContact C-N 3.33Å; A2987-L2989 PolarHBondContact O-N 3.19Å; L2989-Q2991 VanDerWaalsContact C-N 3.33Å; L2989-Q2991 PolarHBondContact O-N 3.09Å; L2989-K2992 PolarHBondContact O-N 3.12Å; L2989-K2993 WeakPolarHBondContact O-CB 3.18Å; L2989-K2993 PolarHBondContact O-N 3.27Å; L2989-K2993 VanDerWaalsContact O-N 3.11Å
2990E70.2Confident74.3Confident93.8 Ų93.875.6 Ų75.644%0.43837%0.372SS..Hα-helixtrans-63.1-38.8175.2-73-175.3157.300112.5I2854 I2986 A2987 K2992 K2993 Q2994I2854-E2990 HydrophobicContact CD1-CG 4.18Å; I2986-E2990 HydrophobicContact CG2-CG 3.98Å; I2986-E2990 PolarHBondContact O-N 3.14Å; A2987-E2990 PolarHBondContact O-N 3.1Å; E2990-K2992 VanDerWaalsContact C-N 3.33Å; E2990-K2992 PolarHBondContact O-N 3.22Å; E2990-K2993 PolarHBondContact O-N 3.16Å; E2990-Q2994 WeakPolarHBondContact O-CB 3.25Å; E2990-Q2994 WeakPolarHBondContact O-CG 3.45Å; E2990-Q2994 PolarHBondContact O-N 3.06Å; E2990-Q2994 VanDerWaalsContact O-N 3.12Å
2991Q71Confident74.7Confident131.6 Ų131.681.8 Ų81.862%0.61540%0.398SS*.Hα-helixtrans-63.9-38.1175.4-71.4-176.3-200112.5A2987 L2989 Q2994 K2995A2987-Q2991 WeakPolarHBondContact O-CG 3.39Å; A2987-Q2991 PolarHBondContact O-N 3.09Å; L2989-Q2991 VanDerWaalsContact C-N 3.33Å; L2989-Q2991 PolarHBondContact O-N 3.09Å; Q2991-Q2994 PolarHBondContact O-N 3.33Å; Q2991-K2995 WeakPolarHBondContact O-CG 3.48Å; Q2991-K2995 PolarHBondContact O-N 3.22Å
2992K73.4Confident74.9Confident127.4 Ų127.484.3 Ų84.355%0.55441%0.407SS*.Hα-helixtrans-65.9-45.5175.5-79.4-176.1177.1-178.10111.7P2988 L2989 E2990 Q2994 K2995 L2996P2988-K2992 PolarHBondContact O-N 3.01Å; L2989-K2992 PolarHBondContact O-N 3.12Å; E2990-K2992 VanDerWaalsContact C-N 3.33Å; E2990-K2992 PolarHBondContact O-N 3.22Å; K2992-Q2994 VanDerWaalsContact C-N 3.31Å; K2992-Q2994 PolarHBondContact O-N 3.01Å; K2992-K2995 PolarHBondContact O-N 3.23Å; K2992-K2995 VanDerWaalsContact O-N 3.15Å; K2992-L2996 WeakPolarHBondContact O-CG 3.49Å; K2992-L2996 PolarHBondContact O-N 3.15Å; K2992-L2996 VanDerWaalsContact O-N 3.13Å
2993K77Confident75.2Confident67.2 Ų67.283 Ų8329%0.29240%0.4SS..Hα-helixtrans-55.1-45.2174.8177.4-175.3168.2-176.20111.7L2847 I2854 L2989 E2990 K2995 L2996 Q2997L2847-K2993 HydrophobicContact CD1-CG 4.31Å; I2854-K2993 HydrophobicContact CD1-CB 4.32Å; I2854-K2993 HydrophobicContact CD1-CD 4.13Å; L2989-K2993 WeakPolarHBondContact O-CB 3.18Å; L2989-K2993 PolarHBondContact O-N 3.27Å; L2989-K2993 VanDerWaalsContact O-N 3.11Å; E2990-K2993 PolarHBondContact O-N 3.16Å; K2993-K2995 PolarHBondContact O-N 3.1Å; K2993-L2996 PolarHBondContact O-N 3.1Å; K2993-Q2997 WeakPolarHBondContact O-CB 3.33Å; K2993-Q2997 PolarHBondContact O-N 3.06Å; K2993-Q2997 VanDerWaalsContact O-N 3.11Å
2994Q72.8Confident75.6Confident122.6 Ų122.684.8 Ų84.857%0.57341%0.407SS*.Hα-helixtrans-64.7-35.9178.8-80-174.5-0.100113.6E2990 Q2991 K2992 K2998E2990-Q2994 WeakPolarHBondContact O-CB 3.25Å; E2990-Q2994 WeakPolarHBondContact O-CG 3.45Å; E2990-Q2994 PolarHBondContact O-N 3.06Å; E2990-Q2994 VanDerWaalsContact O-N 3.12Å; Q2991-Q2994 PolarHBondContact O-N 3.33Å; K2992-Q2994 VanDerWaalsContact C-N 3.31Å; K2992-Q2994 PolarHBondContact O-N 3.01Å; Q2994-K2998 WeakPolarHBondContact O-CG 3.34Å; Q2994-K2998 PolarHBondContact O-N 3.09Å
2995K79Confident76Confident161.4 Ų161.489.1 Ų89.170%0.70242%0.416SS*.Hα-helixtrans-66.3-46.4176.6-75.9-176.5178.6-1780111.8Q2991 K2992 K2993 Q2997 K2998 S2999Q2991-K2995 WeakPolarHBondContact O-CG 3.48Å; Q2991-K2995 PolarHBondContact O-N 3.22Å; K2992-K2995 PolarHBondContact O-N 3.23Å; K2992-K2995 VanDerWaalsContact O-N 3.15Å; K2993-K2995 PolarHBondContact O-N 3.1Å; K2995-Q2997 VanDerWaalsContact C-N 3.32Å; K2995-Q2997 PolarHBondContact O-N 3.11Å; K2995-K2998 PolarHBondContact O-N 3.26Å; K2995-S2999 PolarHBondContact O-N 3.07Å; K2995-S2999 VanDerWaalsContact O-N 3.16Å
2996L79.4Confident76.3Confident26.2 Ų26.286.7 Ų86.714%0.13741%0.407CS..Hα-helixtrans-60.9-43.1177.5-72.3163.4000111.6E2843 L2846 L2847 Q2850 K2992 K2993 K2998 S2999 I3000E2843-L2996 HydrophobicContact CB-CD2 4.24Å; E2843-L2996 HydrophobicContact CG-CD2 4.34Å; L2846-L2996 HydrophobicContact CB-CD1 4.34Å; L2846-L2996 HydrophobicContact CB-CD2 4.41Å; L2846-L2996 HydrophobicContact CD2-CD1 4.08Å; L2846-L2996 HydrophobicContact CD2-CD2 3.96Å; L2846-L2996 HydrophobicContact CG-CD1 4.2Å; L2846-L2996 HydrophobicContact CG-CD2 4.39Å; L2847-L2996 HydrophobicContact CB-CB 4.39Å; L2847-L2996 HydrophobicContact CB-CD1 4.34Å; L2847-L2996 HydrophobicContact CD1-CB 3.7Å; L2847-L2996 HydrophobicContact CG-CB 4.38Å; Q2850-L2996 HydrophobicContact CG-CD1 4.25Å; K2992-L2996 WeakPolarHBondContact O-CG 3.49Å; K2992-L2996 PolarHBondContact O-N 3.15Å; K2992-L2996 VanDerWaalsContact O-N 3.13Å; K2993-L2996 PolarHBondContact O-N 3.1Å; L2996-K2998 VanDerWaalsContact C-N 3.3Å; L2996-K2998 PolarHBondContact O-N 3.27Å; L2996-S2999 PolarHBondContact O-N 3.14Å; L2996-S2999 VanDerWaalsContact O-N 3.15Å; L2996-I3000 WeakPolarHBondContact O-CB 2.85Å; L2996-I3000 WeakPolarHBondContact O-CG1 3.33Å; L2996-I3000 PolarHBondContact O-N 3.09Å; L2996-I3000 VanDerWaalsContact O-N 3.11Å
2997Q78.3Confident76.5Confident92.2 Ų92.287 Ų8743%0.43141%0.408SS..Hα-helixtrans-61.9-34.5178-108.2-179.8-24.700113.5L2847 K2993 K2995 K3001L2847-Q2997 HydrophobicContact CD1-CB 4.14Å; L2847-Q2997 HydrophobicContact CD1-CG 3.55Å; L2847-Q2997 HydrophobicContact CD2-CG 4.4Å; L2847-Q2997 HydrophobicContact CG-CG 4.4Å; K2993-Q2997 WeakPolarHBondContact O-CB 3.33Å; K2993-Q2997 PolarHBondContact O-N 3.06Å; K2993-Q2997 VanDerWaalsContact O-N 3.11Å; K2995-Q2997 VanDerWaalsContact C-N 3.32Å; K2995-Q2997 PolarHBondContact O-N 3.11Å; Q2997-K3001 WeakPolarHBondContact O-CB 3.42Å; Q2997-K3001 WeakPolarHBondContact O-CG 3.45Å; Q2997-K3001 PolarHBondContact O-N 3.2Å
2998K78.8Confident76.9Confident156.2 Ų156.289.5 Ų89.568%0.67942%0.416SS*.Hα-helixtrans-70.8-39.1176.2-76.6-176.6178.8-1790112.1Q2994 K2995 L2996 K3001 Q3002Q2994-K2998 WeakPolarHBondContact O-CG 3.34Å; Q2994-K2998 PolarHBondContact O-N 3.09Å; K2995-K2998 PolarHBondContact O-N 3.26Å; L2996-K2998 VanDerWaalsContact C-N 3.3Å; L2996-K2998 PolarHBondContact O-N 3.27Å; K2998-K3001 PolarHBondContact O-N 2.82Å; K2998-Q3002 WeakPolarHBondContact O-CG 3.48Å; K2998-Q3002 PolarHBondContact O-N 3.2Å
2999S80.3Confident76.9Confident37 Ų3789.7 Ų89.726%0.25942%0.419SS..Hα-helixtrans-65.6-47.1179.7-170.20000112E2843 K2995 L2996 K3001 Q3002 M3003E2843-S2999 VanDerWaalsContact CD-OG 3.26Å; E2843-S2999 PolarHBondContact OE1-OG 2.99Å; E2843-S2999 WeakPolarHBondContact OE2-CB 3.32Å; E2843-S2999 PolarHBondContact OE2-OG 3.24Å; K2995-S2999 PolarHBondContact O-N 3.07Å; K2995-S2999 VanDerWaalsContact O-N 3.16Å; L2996-S2999 PolarHBondContact O-N 3.14Å; L2996-S2999 VanDerWaalsContact O-N 3.15Å; S2999-K3001 VanDerWaalsContact C-N 3.35Å; S2999-K3001 PolarHBondContact O-N 3.08Å; S2999-Q3002 WeakPolarHBondContact O-CB 3.37Å; S2999-Q3002 PolarHBondContact O-N 3.3Å; S2999-Q3002 VanDerWaalsContact O-N 3.09Å; S2999-M3003 PolarHBondContact O-N 3.16Å; S2999-M3003 VanDerWaalsContact O-N 3.09Å
3000I80.1Confident77Confident13.2 Ų13.289.7 Ų89.77%0.06842%0.419CS..Hα-helixtrans-57.4-46.9177-66.7169000111.5R2840 E2843 N2844 L2847 L2996 Q3002 M3003 E3004R2840-I3000 HydrophobicContact CG-CG2 4.25Å; E2843-I3000 HydrophobicContact CB-CD1 4.25Å; E2843-I3000 HydrophobicContact CB-CG1 3.89Å; N2844-I3000 HydrophobicContact CB-CD1 4.16Å; L2847-I3000 HydrophobicContact CB-CD1 4.14Å; L2847-I3000 HydrophobicContact CD1-CD1 4.11Å; L2847-I3000 HydrophobicContact CD2-CD1 4.02Å; L2847-I3000 HydrophobicContact CG-CD1 4.19Å; L2996-I3000 WeakPolarHBondContact O-CB 2.85Å; L2996-I3000 WeakPolarHBondContact O-CG1 3.33Å; L2996-I3000 PolarHBondContact O-N 3.09Å; L2996-I3000 VanDerWaalsContact O-N 3.11Å; I3000-Q3002 VanDerWaalsContact C-N 3.26Å; I3000-Q3002 PolarHBondContact O-N 3Å; I3000-M3003 HydrophobicContact CG1-CE 4.43Å; I3000-M3003 PolarHBondContact O-N 3.19Å; I3000-M3003 VanDerWaalsContact O-N 3.15Å; I3000-E3004 HydrophobicContact CG2-CG 4.29Å; I3000-E3004 WeakPolarHBondContact O-CB 3.38Å; I3000-E3004 WeakPolarHBondContact O-CG 3.34Å; I3000-E3004 PolarHBondContact O-N 3.32Å; I3000-E3004 VanDerWaalsContact O-N 3.14Å
3001K79Confident77.2Confident135 Ų13592.3 Ų92.359%0.58743%0.425SS*.Hα-helixtrans-62.4-30.1177.7-83.3-174.2175.2-175.90113.6Q2997 K2998 S2999 R3005Q2997-K3001 WeakPolarHBondContact O-CB 3.42Å; Q2997-K3001 WeakPolarHBondContact O-CG 3.45Å; Q2997-K3001 PolarHBondContact O-N 3.2Å; K2998-K3001 PolarHBondContact O-N 2.82Å; S2999-K3001 VanDerWaalsContact C-N 3.35Å; S2999-K3001 PolarHBondContact O-N 3.08Å; K3001-R3005 VanDerWaalsContact O-CG 3.27Å; K3001-R3005 WeakPolarHBondContact O-CG 3.46Å; K3001-R3005 PolarHBondContact O-N 3.19Å; K3001-R3005 VanDerWaalsContact O-N 3.15Å
3002Q79.6Confident77.5Confident128.2 Ų128.289.5 Ų89.560%0.59942%0.42SS*.Hα-helixtrans-73.5-41.9176.5-156.1172.7-900111.1K2998 S2999 I3000 E3004 R3005 Q3006K2998-Q3002 WeakPolarHBondContact O-CG 3.48Å; K2998-Q3002 PolarHBondContact O-N 3.2Å; S2999-Q3002 WeakPolarHBondContact O-CB 3.37Å; S2999-Q3002 PolarHBondContact O-N 3.3Å; S2999-Q3002 VanDerWaalsContact O-N 3.09Å; I3000-Q3002 VanDerWaalsContact C-N 3.26Å; I3000-Q3002 PolarHBondContact O-N 3Å; Q3002-E3004 VanDerWaalsContact C-N 3.34Å; Q3002-E3004 PolarHBondContact O-N 3.12Å; Q3002-R3005 PolarHBondContact O-N 3.11Å; Q3002-Q3006 WeakPolarHBondContact O-CG 3.33Å; Q3002-Q3006 PolarHBondContact O-N 3.38Å; Q3002-Q3006 VanDerWaalsContact O-N 3.1Å
3003M77.4Confident77.5Confident15.2 Ų15.284.7 Ų84.78%0.07541%0.406CS..Hα-helixtrans-65.5-37.2175.2-71-165.3-78.600112.6L2836 K2839 R2840 E2843 S2999 I3000 R3005 Q3006 I3007L2836-M3003 HydrophobicContact CD2-CG 4.48Å; L2836-M3003 HydrophobicContact CD2-SD 4.23Å; K2839-M3003 HydrophobicContact CB-CE 4.14Å; K2839-M3003 HydrophobicContact CB-SD 3.76Å; R2840-M3003 HydrophobicContact CB-CB 4.28Å; R2840-M3003 HydrophobicContact CB-CE 4.24Å; R2840-M3003 HydrophobicContact CB-SD 4.29Å; E2843-M3003 HydrophobicContact CB-CE 4.28Å; E2843-M3003 HydrophobicContact CG-CE 4.16Å; E2843-M3003 VanDerWaalsContact OE2-CE 3.3Å; E2843-M3003 WeakPolarHBondContact OE2-CE 3.39Å; S2999-M3003 PolarHBondContact O-N 3.16Å; S2999-M3003 VanDerWaalsContact O-N 3.09Å; I3000-M3003 HydrophobicContact CG1-CE 4.43Å; I3000-M3003 PolarHBondContact O-N 3.19Å; I3000-M3003 VanDerWaalsContact O-N 3.15Å; M3003-R3005 PolarHBondContact O-N 3.07Å; M3003-Q3006 PolarHBondContact O-N 3.06Å; M3003-I3007 WeakPolarHBondContact O-CB 3.43Å; M3003-I3007 WeakPolarHBondContact O-CD1 3.37Å; M3003-I3007 VanDerWaalsContact O-CG1 3.23Å; M3003-I3007 WeakPolarHBondContact O-CG1 3.26Å; M3003-I3007 PolarHBondContact O-N 3.08Å; M3003-I3007 VanDerWaalsContact O-N 3.14Å
3004E78.6Confident77.4Confident67 Ų6782.5 Ų82.531%0.31340%0.398SS..Hα-helixtrans-57.6-48.1174.5-77.1174167.600112.3R2840 I3000 Q3002 Q3006 I3007 D3008R2840-E3004 IonicContact CZ-OE1 2.88Å; R2840-E3004 VanDerWaalsContact CZ-OE1 3.28Å; R2840-E3004 VanDerWaalsContact NE-CG 3.28Å; R2840-E3004 IonicContact NE-OE1 3.64Å; R2840-E3004 PolarHBondContact NE-OE1 3.25Å; R2840-E3004 IonicContact NH2-OE1 3.6Å; R2840-E3004 PolarHBondContact NH2-OE1 3.39Å; I3000-E3004 HydrophobicContact CG2-CG 4.29Å; I3000-E3004 WeakPolarHBondContact O-CB 3.38Å; I3000-E3004 WeakPolarHBondContact O-CG 3.34Å; I3000-E3004 PolarHBondContact O-N 3.32Å; I3000-E3004 VanDerWaalsContact O-N 3.14Å; Q3002-E3004 VanDerWaalsContact C-N 3.34Å; Q3002-E3004 PolarHBondContact O-N 3.12Å; E3004-Q3006 VanDerWaalsContact C-N 3.29Å; E3004-Q3006 PolarHBondContact O-N 3.23Å; E3004-I3007 CarbonylContact O-C 3.5Å; E3004-I3007 PolarHBondContact O-N 2.86Å; E3004-D3008 WeakPolarHBondContact O-CB 3.28Å; E3004-D3008 PolarHBondContact O-N 3.14Å; E3004-D3008 VanDerWaalsContact O-N 3.09Å
3005R78.2Confident77.3Confident195.4 Ų195.482.6 Ų82.674%0.73740%0.398SS*.Hα-helixtrans-61.9-36.3177.9-71174.6177.5-178.6-2.8112.9K3001 Q3002 M3003 S3009K3001-R3005 VanDerWaalsContact O-CG 3.27Å; K3001-R3005 WeakPolarHBondContact O-CG 3.46Å; K3001-R3005 PolarHBondContact O-N 3.19Å; K3001-R3005 VanDerWaalsContact O-N 3.15Å; Q3002-R3005 PolarHBondContact O-N 3.11Å; M3003-R3005 PolarHBondContact O-N 3.07Å; R3005-S3009 VanDerWaalsContact O-CB 3.26Å; R3005-S3009 WeakPolarHBondContact O-CB 3.31Å; R3005-S3009 PolarHBondContact O-N 3.04Å
3006Q77.5Confident77.1Confident94.4 Ų94.478.2 Ų78.244%0.44139%0.387SS..Hα-helixtrans-69.3-40.2176.7-71.9-179.1-33.200111.7L2836 Q3002 M3003 E3004 S3009 I3010L2836-Q3006 HydrophobicContact CD1-CB 4.23Å; Q3002-Q3006 WeakPolarHBondContact O-CG 3.33Å; Q3002-Q3006 PolarHBondContact O-N 3.38Å; Q3002-Q3006 VanDerWaalsContact O-N 3.1Å; M3003-Q3006 PolarHBondContact O-N 3.06Å; E3004-Q3006 VanDerWaalsContact C-N 3.29Å; E3004-Q3006 PolarHBondContact O-N 3.23Å; Q3006-S3009 PolarHBondContact O-N 2.93Å; Q3006-I3010 WeakPolarHBondContact O-CB 3.45Å; Q3006-I3010 WeakPolarHBondContact O-CD1 3.42Å; Q3006-I3010 VanDerWaalsContact O-CG1 3.31Å; Q3006-I3010 WeakPolarHBondContact O-CG1 3.36Å; Q3006-I3010 PolarHBondContact O-N 3.25Å; Q3006-I3010 VanDerWaalsContact O-N 3.12Å
3007I78.3Confident76.7Confident8.6 Ų8.678.1 Ų78.14%0.04439%0.391CS..Hα-helixtrans-63.9-43.7177.4-70.7164.6000111M2833 L2836 K2837 R2840 M3003 E3004 S3009 I3010 R3011M2833-I3007 HydrophobicContact CG-CG2 4.28Å; M2833-I3007 HydrophobicContact SD-CG2 4.42Å; L2836-I3007 HydrophobicContact CB-CD1 4.25Å; L2836-I3007 HydrophobicContact CB-CG1 3.96Å; L2836-I3007 HydrophobicContact CD1-CG1 4.47Å; K2837-I3007 HydrophobicContact CG-CD1 3.89Å; K2837-I3007 HydrophobicContact CG-CG1 4.46Å; K2837-I3007 HydrophobicContact CG-CG2 4.44Å; R2840-I3007 HydrophobicContact CB-CD1 4.12Å; R2840-I3007 HydrophobicContact CG-CD1 4.45Å; M3003-I3007 WeakPolarHBondContact O-CB 3.43Å; M3003-I3007 WeakPolarHBondContact O-CD1 3.37Å; M3003-I3007 VanDerWaalsContact O-CG1 3.23Å; M3003-I3007 WeakPolarHBondContact O-CG1 3.26Å; M3003-I3007 PolarHBondContact O-N 3.08Å; M3003-I3007 VanDerWaalsContact O-N 3.14Å; E3004-I3007 CarbonylContact O-C 3.5Å; E3004-I3007 PolarHBondContact O-N 2.86Å; I3007-S3009 PolarHBondContact O-N 3.18Å; I3007-I3010 PolarHBondContact O-N 3.3Å; I3007-R3011 WeakPolarHBondContact O-CB 3.34Å; I3007-R3011 PolarHBondContact O-N 2.99Å; I3007-R3011 VanDerWaalsContact O-N 3.15Å
3008D75.4Confident76.4Confident95.8 Ų95.878.1 Ų78.151%0.51239%0.394SS..Hα-helixtrans-67.4-37.7179.9-72.9-26.6000112.3E3004 I3010 R3011 S3012E3004-D3008 WeakPolarHBondContact O-CB 3.28Å; E3004-D3008 PolarHBondContact O-N 3.14Å; E3004-D3008 VanDerWaalsContact O-N 3.09Å; D3008-I3010 VanDerWaalsContact C-N 3.33Å; D3008-I3010 PolarHBondContact O-N 3.37Å; D3008-R3011 PolarHBondContact O-N 3.05Å; D3008-R3011 IonicContact OD1-NH1 2.76Å; D3008-S3012 WeakPolarHBondContact O-CB 3.27Å; D3008-S3012 PolarHBondContact O-N 3.19Å; D3008-S3012 PolarHBondContact O-OG 3.1Å
3009S76.6Confident76.1Confident81.4 Ų81.477.1 Ų77.157%0.56939%0.392SS*.Hα-helixtrans-63.4-42.5173.9175.90000112.5R3005 Q3006 I3007 R3011 S3012 G3013R3005-S3009 VanDerWaalsContact O-CB 3.26Å; R3005-S3009 WeakPolarHBondContact O-CB 3.31Å; R3005-S3009 PolarHBondContact O-N 3.04Å; Q3006-S3009 PolarHBondContact O-N 2.93Å; I3007-S3009 PolarHBondContact O-N 3.18Å; S3009-R3011 VanDerWaalsContact C-N 3.31Å; S3009-R3011 PolarHBondContact O-N 2.79Å; S3009-S3012 PolarHBondContact O-N 3.36Å; S3009-S3012 PolarHBondContact O-OG 3.3Å; S3009-S3012 VanDerWaalsContact O-OG 3.09Å; S3009-G3013 PolarHBondContact O-N 3.16Å; S3009-G3013 VanDerWaalsContact O-N 3.1Å
3010I76.6Confident75.6Confident33.4 Ų33.478.3 Ų78.317%0.17140%0.4CS..Hα-helixtrans-68.7-36.8177.7-66.8165.7000110.4Q2829 M2833 L2836 Q3006 I3007 D3008 S3012 G3013 L3014Q2829-I3010 HydrophobicContact CB-CG2 4.11Å; Q2829-I3010 WeakPolarHBondContact O-CG2 3.32Å; M2833-I3010 HydrophobicContact CB-CG2 3.96Å; M2833-I3010 HydrophobicContact CE-CB 4.43Å; M2833-I3010 HydrophobicContact CE-CG2 3.92Å; M2833-I3010 HydrophobicContact CG-CG2 4.43Å; L2836-I3010 HydrophobicContact CD1-CD1 3.8Å; Q3006-I3010 WeakPolarHBondContact O-CB 3.45Å; Q3006-I3010 WeakPolarHBondContact O-CD1 3.42Å; Q3006-I3010 VanDerWaalsContact O-CG1 3.31Å; Q3006-I3010 WeakPolarHBondContact O-CG1 3.36Å; Q3006-I3010 PolarHBondContact O-N 3.25Å; Q3006-I3010 VanDerWaalsContact O-N 3.12Å; I3007-I3010 PolarHBondContact O-N 3.3Å; D3008-I3010 VanDerWaalsContact C-N 3.33Å; D3008-I3010 PolarHBondContact O-N 3.37Å; I3010-S3012 PolarHBondContact O-N 3.5Å; I3010-G3013 PolarHBondContact O-N 3.01Å; I3010-L3014 HydrophobicContact CG2-CD1 3.86Å; I3010-L3014 WeakPolarHBondContact O-CB 3.36Å; I3010-L3014 PolarHBondContact O-N 3.19Å; I3010-L3014 VanDerWaalsContact O-N 3.13Å
3011R74.9Confident75.3Confident149.6 Ų149.677.9 Ų77.957%0.56540%0.398SS*.Hα-helixtrans-64.6-43179.6-172.2-177.8-170.6-175.81.1112.9M2833 I3007 D3008 S3009 G3013 L3014 Q3015M2833-R3011 VanDerWaalsContact CE-CA 3.4Å; M2833-R3011 HydrophobicContact CE-CB 3.74Å; M2833-R3011 HydrophobicContact CE-CG 4.24Å; M2833-R3011 HydrophobicContact SD-CB 4.27Å; I3007-R3011 WeakPolarHBondContact O-CB 3.34Å; I3007-R3011 PolarHBondContact O-N 2.99Å; I3007-R3011 VanDerWaalsContact O-N 3.15Å; D3008-R3011 PolarHBondContact O-N 3.05Å; D3008-R3011 IonicContact OD1-NH1 2.76Å; S3009-R3011 VanDerWaalsContact C-N 3.31Å; S3009-R3011 PolarHBondContact O-N 2.79Å; R3011-G3013 VanDerWaalsContact C-N 3.3Å; R3011-L3014 CarbonylContact O-C 3.56Å; R3011-L3014 WeakPolarHBondContact O-CB 3.47Å; R3011-L3014 PolarHBondContact O-N 3.31Å; R3011-Q3015 WeakPolarHBondContact O-CG 3.37Å; R3011-Q3015 PolarHBondContact O-N 3.1Å
3012S75.6Confident75.1Confident72 Ų7274.7 Ų74.750%0.50339%0.393SS..Hα-helixtrans-67.3-36.6177.159.90000112.2D3008 S3009 I3010 Q3015 S3016D3008-S3012 WeakPolarHBondContact O-CB 3.27Å; D3008-S3012 PolarHBondContact O-N 3.19Å; D3008-S3012 PolarHBondContact O-OG 3.1Å; S3009-S3012 PolarHBondContact O-N 3.36Å; S3009-S3012 PolarHBondContact O-OG 3.3Å; S3009-S3012 VanDerWaalsContact O-OG 3.09Å; I3010-S3012 PolarHBondContact O-N 3.5Å; S3012-Q3015 PolarHBondContact O-N 3.06Å; S3012-S3016 PolarHBondContact O-N 3.01Å; S3012-S3016 PolarHBondContact O-OG 3.43Å
3013G74Confident74.9Confident26.6 Ų26.674.9 Ų74.927%0.27439%0.394SS..Hα-helixtrans-64.1-40.9173.700000113.1S3009 I3010 R3011 Q3015 S3016 A3017S3009-G3013 PolarHBondContact O-N 3.16Å; S3009-G3013 VanDerWaalsContact O-N 3.1Å; I3010-G3013 PolarHBondContact O-N 3.01Å; R3011-G3013 VanDerWaalsContact C-N 3.3Å; G3013-Q3015 VanDerWaalsContact C-N 3.32Å; G3013-Q3015 PolarHBondContact O-N 3.1Å; G3013-S3016 PolarHBondContact O-N 3.3Å; G3013-S3016 PolarHBondContact O-OG 3.07Å; G3013-S3016 VanDerWaalsContact O-OG 3.06Å; G3013-A3017 VanDerWaalsContact O-CB 3.26Å; G3013-A3017 WeakPolarHBondContact O-CB 3.27Å; G3013-A3017 PolarHBondContact O-N 3.09Å; G3013-A3017 VanDerWaalsContact O-N 3.15Å
3014L74Confident75Confident21.2 Ų21.275.8 Ų75.811%0.11140%0.399CS..Hα-helixtrans-63.1-39.1175.8-94.7147.5000112.8A2826 Q2829 K2830 M2833 I3010 R3011 A3017 D3018A2826-L3014 HydrophobicContact CB-CD2 4.13Å; A2826-L3014 WeakPolarHBondContact O-CD2 3.26Å; Q2829-L3014 HydrophobicContact CB-CD1 4.01Å; Q2829-L3014 HydrophobicContact CB-CD2 4.2Å; Q2829-L3014 HydrophobicContact CB-CG 4.42Å; K2830-L3014 HydrophobicContact CB-CD1 4.35Å; K2830-L3014 HydrophobicContact CB-CD2 4.33Å; M2833-L3014 HydrophobicContact CE-CD1 3.82Å; M2833-L3014 HydrophobicContact SD-CD1 4.38Å; I3010-L3014 HydrophobicContact CG2-CD1 3.86Å; I3010-L3014 WeakPolarHBondContact O-CB 3.36Å; I3010-L3014 PolarHBondContact O-N 3.19Å; I3010-L3014 VanDerWaalsContact O-N 3.13Å; R3011-L3014 CarbonylContact O-C 3.56Å; R3011-L3014 WeakPolarHBondContact O-CB 3.47Å; R3011-L3014 PolarHBondContact O-N 3.31Å; L3014-A3017 PolarHBondContact O-N 3.17Å; L3014-D3018 VanDerWaalsContact O-CB 3.32Å; L3014-D3018 WeakPolarHBondContact O-CB 3.42Å; L3014-D3018 PolarHBondContact O-N 3.09Å
3015Q71.8Confident74.8Confident124.6 Ų124.677.9 Ų77.958%0.58240%0.404SS*.Hα-helixtrans-65.5-42.6178-80.5-177.1-4800112.6R3011 S3012 G3013 A3017 D3018 E3019R3011-Q3015 WeakPolarHBondContact O-CG 3.37Å; R3011-Q3015 PolarHBondContact O-N 3.1Å; S3012-Q3015 PolarHBondContact O-N 3.06Å; G3013-Q3015 VanDerWaalsContact C-N 3.32Å; G3013-Q3015 PolarHBondContact O-N 3.1Å; Q3015-A3017 VanDerWaalsContact C-N 3.32Å; Q3015-A3017 PolarHBondContact O-N 3.07Å; Q3015-D3018 PolarHBondContact O-N 2.96Å; Q3015-E3019 WeakPolarHBondContact O-CB 3.49Å; Q3015-E3019 WeakPolarHBondContact O-CG 3.28Å; Q3015-E3019 PolarHBondContact O-N 3.14Å; Q3015-E3019 VanDerWaalsContact O-N 3.16Å
3016S74.8Confident74.8Confident68.4 Ų68.471.3 Ų71.348%0.47839%0.391SS..Hα-helixtrans-67.9-33.9176.980.20000112.7S3012 G3013 D3018 E3019 S3020S3012-S3016 PolarHBondContact O-N 3.01Å; S3012-S3016 PolarHBondContact O-OG 3.43Å; G3013-S3016 PolarHBondContact O-N 3.3Å; G3013-S3016 PolarHBondContact O-OG 3.07Å; G3013-S3016 VanDerWaalsContact O-OG 3.06Å; S3016-D3018 VanDerWaalsContact C-N 3.35Å; S3016-E3019 PolarHBondContact O-N 2.95Å; S3016-S3020 WeakPolarHBondContact O-CB 3.37Å; S3016-S3020 PolarHBondContact O-N 2.93Å; S3016-S3020 VanDerWaalsContact O-N 3.14Å; S3016-S3020 PolarHBondContact O-OG 3.26Å; S3016-S3020 VanDerWaalsContact O-OG 3.12Å
3017A70.7Confident74.7Confident25.4 Ų25.472.9 Ų72.921%0.2140%0.397CS..Hα-helixtrans-67.9-40.317500000111.9A2826 G3013 L3014 Q3015 S3020 A3021A2826-A3017 HydrophobicContact CB-CB 4.42Å; G3013-A3017 VanDerWaalsContact O-CB 3.26Å; G3013-A3017 WeakPolarHBondContact O-CB 3.27Å; G3013-A3017 PolarHBondContact O-N 3.09Å; G3013-A3017 VanDerWaalsContact O-N 3.15Å; L3014-A3017 PolarHBondContact O-N 3.17Å; Q3015-A3017 VanDerWaalsContact C-N 3.32Å; Q3015-A3017 PolarHBondContact O-N 3.07Å; A3017-S3020 PolarHBondContact O-N 3.29Å; A3017-A3021 VanDerWaalsContact O-CB 3.27Å; A3017-A3021 WeakPolarHBondContact O-CB 3.37Å; A3017-A3021 PolarHBondContact O-N 3.25Å
3018D71.3Confident74.8Confident91.4 Ų91.474.4 Ų74.449%0.48940%0.403SS..Hα-helixtrans-66.1-38177-91.1-25.2000112.5L3014 Q3015 S3016 A3021 S3022 R3025L3014-D3018 VanDerWaalsContact O-CB 3.32Å; L3014-D3018 WeakPolarHBondContact O-CB 3.42Å; L3014-D3018 PolarHBondContact O-N 3.09Å; Q3015-D3018 PolarHBondContact O-N 2.96Å; S3016-D3018 VanDerWaalsContact C-N 3.35Å; D3018-A3021 PolarHBondContact O-N 3.21Å; D3018-S3022 WeakPolarHBondContact O-CA 3.25Å; D3018-S3022 VanDerWaalsContact O-CB 3.26Å; D3018-S3022 WeakPolarHBondContact O-CB 3.4Å; D3018-S3022 PolarHBondContact O-N 3.12Å; D3018-S3022 VanDerWaalsContact O-N 3.1Å; D3018-S3022 PolarHBondContact O-OG 3.23Å; D3018-R3025 IonicContact OD1-CZ 3.86Å; D3018-R3025 IonicContact OD1-NH1 2.77Å; D3018-R3025 PolarHBondContact OD1-NH1 2.65Å; D3018-R3025 IonicContact OD1-NH2 3.98Å; D3018-R3025 PolarHBondContact OD1-NH2 2.73Å
3019E73.5Confident74.8Confident136.2 Ų136.275.9 Ų75.964%0.63641%0.407SS*.Hα-helixtrans-64.9-45174.2-77.2-179.3178.800111.7Q3015 S3016 S3022 Q3023Q3015-E3019 WeakPolarHBondContact O-CB 3.49Å; Q3015-E3019 WeakPolarHBondContact O-CG 3.28Å; Q3015-E3019 PolarHBondContact O-N 3.14Å; Q3015-E3019 VanDerWaalsContact O-N 3.16Å; S3016-E3019 PolarHBondContact O-N 2.95Å; E3019-S3022 CarbonylContact O-C 3.38Å; E3019-S3022 WeakPolarHBondContact O-CB 3.27Å; E3019-S3022 PolarHBondContact O-N 3.16Å; E3019-S3022 VanDerWaalsContact O-N 3.1Å; E3019-Q3023 WeakPolarHBondContact O-CG 3.38Å; E3019-Q3023 PolarHBondContact O-N 3.12Å; E3019-Q3023 VanDerWaalsContact O-N 3.11Å
3020S70.1Confident75Confident61.6 Ų61.675.8 Ų75.843%0.43140%0.403SS..Hα-helixtrans-64-43.8177-58.40000111.6S3016 A3017 S3022 Q3023 L3024S3016-S3020 WeakPolarHBondContact O-CB 3.37Å; S3016-S3020 PolarHBondContact O-N 2.93Å; S3016-S3020 VanDerWaalsContact O-N 3.14Å; S3016-S3020 PolarHBondContact O-OG 3.26Å; S3016-S3020 VanDerWaalsContact O-OG 3.12Å; A3017-S3020 PolarHBondContact O-N 3.29Å; S3020-S3022 VanDerWaalsContact C-N 3.28Å; S3020-S3022 PolarHBondContact O-N 3.17Å; S3020-Q3023 PolarHBondContact O-N 3.18Å; S3020-L3024 WeakPolarHBondContact O-CB 3.43Å; S3020-L3024 VanDerWaalsContact O-CG 3.27Å; S3020-L3024 WeakPolarHBondContact O-CG 3.39Å; S3020-L3024 PolarHBondContact O-N 3.03Å
3021A73.3Confident75.2Confident3.8 Ų3.875.4 Ų75.43%0.03140%0.401CS..Hα-helixtrans-63-32.517500000112.1A3017 D3018 R3025A3017-A3021 VanDerWaalsContact O-CB 3.27Å; A3017-A3021 WeakPolarHBondContact O-CB 3.37Å; A3017-A3021 PolarHBondContact O-N 3.25Å; D3018-A3021 PolarHBondContact O-N 3.21Å; A3021-R3025 VanDerWaalsContact O-CB 3.27Å; A3021-R3025 WeakPolarHBondContact O-CB 3.22Å; A3021-R3025 VanDerWaalsContact O-CD 3.3Å; A3021-R3025 WeakPolarHBondContact O-CD 3.26Å; A3021-R3025 VanDerWaalsContact O-CG 3.24Å; A3021-R3025 WeakPolarHBondContact O-CG 3.36Å; A3021-R3025 PolarHBondContact O-N 3.36Å; A3021-R3025 VanDerWaalsContact O-N 3.1Å
3022S74.7Confident75.4Confident67.6 Ų67.670.8 Ų70.847%0.47339%0.39SS..Hα-helixtrans-71-40.1176.7-76.10000112.2D3018 E3019 S3020 R3025 A3026D3018-S3022 WeakPolarHBondContact O-CA 3.25Å; D3018-S3022 VanDerWaalsContact O-CB 3.26Å; D3018-S3022 WeakPolarHBondContact O-CB 3.4Å; D3018-S3022 PolarHBondContact O-N 3.12Å; D3018-S3022 VanDerWaalsContact O-N 3.1Å; D3018-S3022 PolarHBondContact O-OG 3.23Å; E3019-S3022 CarbonylContact O-C 3.38Å; E3019-S3022 WeakPolarHBondContact O-CB 3.27Å; E3019-S3022 PolarHBondContact O-N 3.16Å; E3019-S3022 VanDerWaalsContact O-N 3.1Å; S3020-S3022 VanDerWaalsContact C-N 3.28Å; S3020-S3022 PolarHBondContact O-N 3.17Å; S3022-R3025 PolarHBondContact O-N 3.19Å; S3022-A3026 VanDerWaalsContact O-CB 3.29Å; S3022-A3026 WeakPolarHBondContact O-CB 3.44Å; S3022-A3026 PolarHBondContact O-N 3.11Å; S3022-A3026 VanDerWaalsContact O-N 3.14Å
3023Q76.6Confident75.5Confident133.4 Ų133.470.2 Ų70.262%0.62339%0.385SS*.Hα-helixtrans-65.9-42.4173.7-69-178.413.700112.1E3019 S3020 R3025 A3026 K3027E3019-Q3023 WeakPolarHBondContact O-CG 3.38Å; E3019-Q3023 PolarHBondContact O-N 3.12Å; E3019-Q3023 VanDerWaalsContact O-N 3.11Å; S3020-Q3023 PolarHBondContact O-N 3.18Å; Q3023-R3025 VanDerWaalsContact C-N 3.33Å; Q3023-R3025 PolarHBondContact O-N 3.4Å; Q3023-A3026 PolarHBondContact O-N 3.09Å; Q3023-K3027 WeakPolarHBondContact O-CG 3.2Å; Q3023-K3027 PolarHBondContact O-N 2.97Å; Q3023-K3027 VanDerWaalsContact O-N 3.11Å
3024L77.7Confident75.9Confident33.2 Ų33.272.7 Ų72.717%0.17439%0.39CS..Hα-helixtrans-63.6-42175.4-71.1170.6000111.3M2815 E2818 I2819 S3020 A3026 K3027 F3028M2815-L3024 HydrophobicContact CE-CD2 4.19Å; M2815-L3024 HydrophobicContact SD-CD2 3.71Å; M2815-L3024 VanDerWaalsContact SD-CD2 3.56Å; E2818-L3024 HydrophobicContact CB-CD1 4.34Å; I2819-L3024 HydrophobicContact CD1-CB 3.96Å; I2819-L3024 HydrophobicContact CG1-CB 3.56Å; I2819-L3024 HydrophobicContact CG1-CD1 4.29Å; I2819-L3024 HydrophobicContact CG1-CG 4.37Å; S3020-L3024 WeakPolarHBondContact O-CB 3.43Å; S3020-L3024 VanDerWaalsContact O-CG 3.27Å; S3020-L3024 WeakPolarHBondContact O-CG 3.39Å; S3020-L3024 PolarHBondContact O-N 3.03Å; L3024-A3026 VanDerWaalsContact C-N 3.31Å; L3024-A3026 PolarHBondContact O-N 3.29Å; L3024-K3027 PolarHBondContact O-N 3.37Å; L3024-F3028 VanDerWaalsContact O-CB 3.27Å; L3024-F3028 WeakPolarHBondContact O-CB 3.32Å; L3024-F3028 PolarHBondContact O-N 3.05Å
3025R75.1Confident76.1Confident111.8 Ų111.872.1 Ų72.142%0.42239%0.388SS..Hα-helixtrans-59.8-41.7173.8-77.6171.9-174.8165.64112.5I2819 I2823 D3018 A3021 S3022 Q3023 F3028 H3029I2819-R3025 HydrophobicContact CD1-CG 4.28Å; I2819-R3025 HydrophobicContact CG2-CG 4.4Å; I2823-R3025 VanDerWaalsContact CD1-NH2 3.35Å; D3018-R3025 IonicContact OD1-CZ 3.86Å; D3018-R3025 IonicContact OD1-NH1 2.77Å; D3018-R3025 PolarHBondContact OD1-NH1 2.65Å; D3018-R3025 IonicContact OD1-NH2 3.98Å; D3018-R3025 PolarHBondContact OD1-NH2 2.73Å; A3021-R3025 VanDerWaalsContact O-CB 3.27Å; A3021-R3025 WeakPolarHBondContact O-CB 3.22Å; A3021-R3025 VanDerWaalsContact O-CD 3.3Å; A3021-R3025 WeakPolarHBondContact O-CD 3.26Å; A3021-R3025 VanDerWaalsContact O-CG 3.24Å; A3021-R3025 WeakPolarHBondContact O-CG 3.36Å; A3021-R3025 PolarHBondContact O-N 3.36Å; A3021-R3025 VanDerWaalsContact O-N 3.1Å; S3022-R3025 PolarHBondContact O-N 3.19Å; Q3023-R3025 VanDerWaalsContact C-N 3.33Å; Q3023-R3025 PolarHBondContact O-N 3.4Å; R3025-F3028 CarbonylContact O-C 3.57Å; R3025-F3028 WeakPolarHBondContact O-CB 3.32Å; R3025-F3028 PolarHBondContact O-N 3.11Å; R3025-H3029 VanDerWaalsContact O-CB 3.29Å; R3025-H3029 WeakPolarHBondContact O-CB 3.24Å; R3025-H3029 PolarHBondContact O-CD2 3.12Å; R3025-H3029 PolarHBondContact O-N 3.03Å; R3025-H3029 PolarHBondContact O-ND1 2.78Å
3026A78.1Confident76.4Confident57.8 Ų57.869.3 Ų69.348%0.47838%0.382SS..Hα-helixtrans-63.8-46.3177.700000111.6S3022 Q3023 L3024 F3028 H3029 T3030S3022-A3026 VanDerWaalsContact O-CB 3.29Å; S3022-A3026 WeakPolarHBondContact O-CB 3.44Å; S3022-A3026 PolarHBondContact O-N 3.11Å; S3022-A3026 VanDerWaalsContact O-N 3.14Å; Q3023-A3026 PolarHBondContact O-N 3.09Å; L3024-A3026 VanDerWaalsContact C-N 3.31Å; L3024-A3026 PolarHBondContact O-N 3.29Å; A3026-F3028 VanDerWaalsContact C-N 3.34Å; A3026-H3029 PolarHBondContact O-N 3.28Å; A3026-T3030 PolarHBondContact O-N 3.03Å; A3026-T3030 VanDerWaalsContact O-N 3.13Å; A3026-T3030 PolarHBondContact O-OG1 3.11Å; A3026-T3030 VanDerWaalsContact O-OG1 3.11Å
3027K76.8Confident76.6Confident128 Ų12871.2 Ų71.256%0.55738%0.383SS*.Hα-helixtrans-63.8-42.1175.5-74.7-177.7178.3178.60112.6Q3023 L3024 H3029 T3030 L3031Q3023-K3027 WeakPolarHBondContact O-CG 3.2Å; Q3023-K3027 PolarHBondContact O-N 2.97Å; Q3023-K3027 VanDerWaalsContact O-N 3.11Å; L3024-K3027 PolarHBondContact O-N 3.37Å; K3027-H3029 VanDerWaalsContact C-N 3.32Å; K3027-H3029 PolarHBondContact O-N 3.03Å; K3027-T3030 VanDerWaalsContact CA-OG1 3.29Å; K3027-T3030 WeakPolarHBondContact CA-OG1 3.35Å; K3027-T3030 PolarHBondContact O-N 3.25Å; K3027-T3030 PolarHBondContact O-OG1 3.11Å; K3027-L3031 WeakPolarHBondContact O-CB 3.36Å; K3027-L3031 WeakPolarHBondContact O-CG 3.32Å; K3027-L3031 PolarHBondContact O-N 3.28Å
3028F79.3Confident77Confident38.8 Ų38.871.2 Ų71.217%0.1738%0.38CS..Hα-helixtrans-58.9-43.8174.7175.1-99.2000110.9A2812 M2815 L2816 I2819 L3024 R3025 A3026 T3030 L3031 T3032A2812-F3028 HydrophobicContact CB-CD2 4.29Å; A2812-F3028 HydrophobicContact CB-CE2 4.15Å; A2812-F3028 VanDerWaalsContact O-CD2 3.23Å; A2812-F3028 WeakPolarHBondContact O-CD2 3.45Å; A2812-F3028 WeakPolarHBondContact O-CE2 3.41Å; M2815-F3028 HydrophobicContact CB-CD2 4.41Å; L2816-F3028 HydrophobicContact CB-CD2 4.31Å; L2816-F3028 HydrophobicContact CB-CE2 3.92Å; L2816-F3028 HydrophobicContact CD1-CE1 4.48Å; L2816-F3028 HydrophobicContact CD1-CE2 3.7Å; L2816-F3028 HydrophobicContact CD1-CZ 3.72Å; L2816-F3028 VanDerWaalsContact CD1-CZ 3.48Å; L2816-F3028 HydrophobicContact CD2-CD2 4.4Å; L2816-F3028 HydrophobicContact CD2-CE1 4.2Å; L2816-F3028 HydrophobicContact CD2-CE2 3.89Å; L2816-F3028 HydrophobicContact CD2-CZ 3.72Å; L2816-F3028 HydrophobicContact CG-CD2 4.17Å; L2816-F3028 HydrophobicContact CG-CE2 3.73Å; L2816-F3028 VanDerWaalsContact CG-CE2 3.42Å; L2816-F3028 HydrophobicContact CG-CZ 3.76Å; I2819-F3028 HydrophobicContact CD1-CB 3.94Å; I2819-F3028 HydrophobicContact CD1-CG 4.23Å; L3024-F3028 VanDerWaalsContact O-CB 3.27Å; L3024-F3028 WeakPolarHBondContact O-CB 3.32Å; L3024-F3028 PolarHBondContact O-N 3.05Å; R3025-F3028 CarbonylContact O-C 3.57Å; R3025-F3028 WeakPolarHBondContact O-CB 3.32Å; R3025-F3028 PolarHBondContact O-N 3.11Å; A3026-F3028 VanDerWaalsContact C-N 3.34Å; F3028-T3030 VanDerWaalsContact C-N 3.34Å; F3028-T3030 PolarHBondContact O-N 3.31Å; F3028-L3031 PolarHBondContact O-N 3.36Å; F3028-T3032 HydrophobicContact CD1-CG2 4.47Å; F3028-T3032 HydrophobicContact CD2-CG2 4.49Å; F3028-T3032 HydrophobicContact CE1-CG2 3.92Å; F3028-T3032 WeakPolarHBondContact CE1-OG1 3.5Å; F3028-T3032 HydrophobicContact CE2-CG2 3.95Å; F3028-T3032 WeakPolarHBondContact CE2-OG1 3.42Å; F3028-T3032 HydrophobicContact CZ-CG2 3.89Å; F3028-T3032 VanDerWaalsContact CZ-OG1 3.31Å; F3028-T3032 WeakPolarHBondContact CZ-OG1 3.29Å; F3028-T3032 WeakPolarHBondContact O-CA 3.23Å; F3028-T3032 VanDerWaalsContact O-CB 3.25Å; F3028-T3032 WeakPolarHBondContact O-CB 3.38Å; F3028-T3032 PolarHBondContact O-N 3.17Å; F3028-T3032 PolarHBondContact O-OG1 3.07Å
3029H76.2Confident77.3Confident127.4 Ų127.471.9 Ų71.959%0.5938%0.378SS*.Hα-helixtrans-62.6-41.3175.3-78.9-26.3000112.9R3025 A3026 K3027 T3032 S3033R3025-H3029 VanDerWaalsContact O-CB 3.29Å; R3025-H3029 WeakPolarHBondContact O-CB 3.24Å; R3025-H3029 PolarHBondContact O-CD2 3.12Å; R3025-H3029 PolarHBondContact O-N 3.03Å; R3025-H3029 PolarHBondContact O-ND1 2.78Å; A3026-H3029 PolarHBondContact O-N 3.28Å; K3027-H3029 VanDerWaalsContact C-N 3.32Å; K3027-H3029 PolarHBondContact O-N 3.03Å; H3029-T3032 VanDerWaalsContact CA-OG1 3.29Å; H3029-T3032 WeakPolarHBondContact CA-OG1 3.49Å; H3029-T3032 PolarHBondContact O-N 3.23Å; H3029-T3032 PolarHBondContact O-OG1 3.44Å; H3029-T3032 VanDerWaalsContact O-OG1 3.07Å; H3029-S3033 WeakPolarHBondContact O-CB 3.38Å; H3029-S3033 PolarHBondContact O-N 2.97Å
3030T80.3Confident77.4Confident80.4 Ų80.471.7 Ų71.749%0.49338%0.376SS..Hα-helixtrans-63.9-47174.98.50000112A3026 K3027 F3028 T3032 S3033 E3034A3026-T3030 PolarHBondContact O-N 3.03Å; A3026-T3030 VanDerWaalsContact O-N 3.13Å; A3026-T3030 PolarHBondContact O-OG1 3.11Å; A3026-T3030 VanDerWaalsContact O-OG1 3.11Å; K3027-T3030 VanDerWaalsContact CA-OG1 3.29Å; K3027-T3030 WeakPolarHBondContact CA-OG1 3.35Å; K3027-T3030 PolarHBondContact O-N 3.25Å; K3027-T3030 PolarHBondContact O-OG1 3.11Å; F3028-T3030 VanDerWaalsContact C-N 3.34Å; F3028-T3030 PolarHBondContact O-N 3.31Å; T3030-T3032 PolarHBondContact O-N 3.21Å; T3030-S3033 CarbonylContact O-C 3.52Å; T3030-S3033 WeakPolarHBondContact O-CB 3.37Å; T3030-S3033 PolarHBondContact O-N 3.13Å; T3030-S3033 VanDerWaalsContact O-N 3.16Å; T3030-E3034 WeakPolarHBondContact O-CG 3.38Å; T3030-E3034 PolarHBondContact O-N 3.02Å; T3030-E3034 VanDerWaalsContact O-N 3.09Å
3031L80.2Confident77.8Confident24.2 Ų24.274.3 Ų74.313%0.12738%0.379CS..Hα-helixtrans-65.2-38.1178.7-73.1171.7000112.4K2808 E2811 A2812 M2815 K3027 F3028 S3033 E3034 A3035K2808-L3031 HydrophobicContact CD-CD2 3.84Å; E2811-L3031 HydrophobicContact CB-CD1 4.21Å; E2811-L3031 HydrophobicContact CG-CD1 4.23Å; A2812-L3031 HydrophobicContact CB-CB 4.29Å; M2815-L3031 HydrophobicContact CG-CD1 4.11Å; K3027-L3031 WeakPolarHBondContact O-CB 3.36Å; K3027-L3031 WeakPolarHBondContact O-CG 3.32Å; K3027-L3031 PolarHBondContact O-N 3.28Å; F3028-L3031 PolarHBondContact O-N 3.36Å; L3031-S3033 VanDerWaalsContact C-N 3.34Å; L3031-E3034 PolarHBondContact O-N 2.94Å; L3031-A3035 VanDerWaalsContact O-CB 3.25Å; L3031-A3035 WeakPolarHBondContact O-CB 3.44Å; L3031-A3035 PolarHBondContact O-N 3.1Å
3032T78.8Confident78Confident53.6 Ų53.675.8 Ų75.833%0.32939%0.386SS..Hα-helixtrans-68.2-36.6175.6-30.70000111.3A2812 F3028 H3029 T3030 A3035 S3036A2812-T3032 HydrophobicContact CB-CG2 4.34Å; F3028-T3032 HydrophobicContact CD1-CG2 4.47Å; F3028-T3032 HydrophobicContact CD2-CG2 4.49Å; F3028-T3032 HydrophobicContact CE1-CG2 3.92Å; F3028-T3032 WeakPolarHBondContact CE1-OG1 3.5Å; F3028-T3032 HydrophobicContact CE2-CG2 3.95Å; F3028-T3032 WeakPolarHBondContact CE2-OG1 3.42Å; F3028-T3032 HydrophobicContact CZ-CG2 3.89Å; F3028-T3032 VanDerWaalsContact CZ-OG1 3.31Å; F3028-T3032 WeakPolarHBondContact CZ-OG1 3.29Å; F3028-T3032 WeakPolarHBondContact O-CA 3.23Å; F3028-T3032 VanDerWaalsContact O-CB 3.25Å; F3028-T3032 WeakPolarHBondContact O-CB 3.38Å; F3028-T3032 PolarHBondContact O-N 3.17Å; F3028-T3032 PolarHBondContact O-OG1 3.07Å; H3029-T3032 VanDerWaalsContact CA-OG1 3.29Å; H3029-T3032 WeakPolarHBondContact CA-OG1 3.49Å; H3029-T3032 PolarHBondContact O-N 3.23Å; H3029-T3032 PolarHBondContact O-OG1 3.44Å; H3029-T3032 VanDerWaalsContact O-OG1 3.07Å; T3030-T3032 PolarHBondContact O-N 3.21Å; T3032-A3035 CarbonylContact O-C 3.23Å; T3032-A3035 PolarHBondContact O-N 2.96Å; T3032-S3036 WeakPolarHBondContact O-CA 3.31Å; T3032-S3036 VanDerWaalsContact O-CB 3.25Å; T3032-S3036 WeakPolarHBondContact O-CB 3.36Å; T3032-S3036 PolarHBondContact O-N 2.98Å; T3032-S3036 PolarHBondContact O-OG 3.41Å
3033S79Confident78.1Confident59.2 Ų59.276.4 Ų76.441%0.41438%0.384SS..Hα-helixtrans-64-50174.2-165.40000110.8H3029 T3030 L3031 A3035 S3036 E3037H3029-S3033 WeakPolarHBondContact O-CB 3.38Å; H3029-S3033 PolarHBondContact O-N 2.97Å; T3030-S3033 CarbonylContact O-C 3.52Å; T3030-S3033 WeakPolarHBondContact O-CB 3.37Å; T3030-S3033 PolarHBondContact O-N 3.13Å; T3030-S3033 VanDerWaalsContact O-N 3.16Å; L3031-S3033 VanDerWaalsContact C-N 3.34Å; S3033-A3035 VanDerWaalsContact C-N 3.33Å; S3033-A3035 PolarHBondContact O-N 2.97Å; S3033-S3036 WeakPolarHBondContact CA-OG 3.39Å; S3033-S3036 CarbonylContact O-C 3.53Å; S3033-S3036 WeakPolarHBondContact O-CA 3.05Å; S3033-S3036 WeakPolarHBondContact O-CB 3.46Å; S3033-S3036 PolarHBondContact O-N 3.28Å; S3033-S3036 VanDerWaalsContact O-N 3.1Å; S3033-S3036 PolarHBondContact O-OG 3.18Å; S3033-E3037 WeakPolarHBondContact O-CG 3.37Å; S3033-E3037 PolarHBondContact O-N 2.95Å
3034E81Confident78Confident79.4 Ų79.473.2 Ų73.237%0.37137%0.371SS..Hα-helixtrans-59.2-44.7175.7-72177.4-172.900112K2808 T3030 L3031 S3036 E3037 I3038K2808-E3034 WeakPolarHBondContact CE-OE2 3.24Å; K2808-E3034 IonicContact NZ-OE2 3.07Å; K2808-E3034 PolarHBondContact NZ-OE2 3.07Å; T3030-E3034 WeakPolarHBondContact O-CG 3.38Å; T3030-E3034 PolarHBondContact O-N 3.02Å; T3030-E3034 VanDerWaalsContact O-N 3.09Å; L3031-E3034 PolarHBondContact O-N 2.94Å; E3034-S3036 VanDerWaalsContact C-N 3.31Å; E3034-S3036 PolarHBondContact O-N 3.17Å; E3034-E3037 WeakPolarHBondContact O-CB 3.42Å; E3034-E3037 PolarHBondContact O-N 2.92Å; E3034-I3038 WeakPolarHBondContact O-CB 3.33Å; E3034-I3038 WeakPolarHBondContact O-CD1 3.26Å; E3034-I3038 VanDerWaalsContact O-CG1 3.27Å; E3034-I3038 WeakPolarHBondContact O-CG1 3.33Å; E3034-I3038 PolarHBondContact O-N 3.13Å
3035A79.1Confident77.8Confident8.6 Ų8.673.8 Ų73.87%0.07137%0.373CS..Hα-helixtrans-63.8-36.4176.100000111.7L2805 K2808 Q2809 L3031 T3032 S3033 I3038 K3039L2805-A3035 HydrophobicContact CD1-CB 4.2Å; L2805-A3035 WeakPolarHBondContact CD1-O 3.39Å; K2808-A3035 HydrophobicContact CB-CB 4.35Å; Q2809-A3035 HydrophobicContact CG-CB 4.42Å; L3031-A3035 VanDerWaalsContact O-CB 3.25Å; L3031-A3035 WeakPolarHBondContact O-CB 3.44Å; L3031-A3035 PolarHBondContact O-N 3.1Å; T3032-A3035 CarbonylContact O-C 3.23Å; T3032-A3035 PolarHBondContact O-N 2.96Å; S3033-A3035 VanDerWaalsContact C-N 3.33Å; S3033-A3035 PolarHBondContact O-N 2.97Å; A3035-I3038 PolarHBondContact O-N 2.91Å; A3035-K3039 WeakPolarHBondContact O-CA 3.15Å; A3035-K3039 VanDerWaalsContact O-CB 3.27Å; A3035-K3039 WeakPolarHBondContact O-CB 3.4Å; A3035-K3039 PolarHBondContact O-N 3.22Å
3036S76.9Confident77.7Confident65.6 Ų65.669.9 Ų69.946%0.45937%0.368SS..Hα-helixtrans-70-35.717674.40000112.6T3032 S3033 E3034 K3039 F3040T3032-S3036 WeakPolarHBondContact O-CA 3.31Å; T3032-S3036 VanDerWaalsContact O-CB 3.25Å; T3032-S3036 WeakPolarHBondContact O-CB 3.36Å; T3032-S3036 PolarHBondContact O-N 2.98Å; T3032-S3036 PolarHBondContact O-OG 3.41Å; S3033-S3036 WeakPolarHBondContact CA-OG 3.39Å; S3033-S3036 CarbonylContact O-C 3.53Å; S3033-S3036 WeakPolarHBondContact O-CA 3.05Å; S3033-S3036 WeakPolarHBondContact O-CB 3.46Å; S3033-S3036 PolarHBondContact O-N 3.28Å; S3033-S3036 VanDerWaalsContact O-N 3.1Å; S3033-S3036 PolarHBondContact O-OG 3.18Å; E3034-S3036 VanDerWaalsContact C-N 3.31Å; E3034-S3036 PolarHBondContact O-N 3.17Å; S3036-K3039 PolarHBondContact O-N 3.21Å; S3036-F3040 VanDerWaalsContact O-CB 3.29Å; S3036-F3040 WeakPolarHBondContact O-CB 3.26Å; S3036-F3040 PolarHBondContact O-N 3.13Å
3037E80Confident77.5Confident108.2 Ų108.273.3 Ų73.351%0.50637%0.372SS..Hα-helixtrans-67.9-44.6173.1-77.4-176.9-161.600111.7S3033 E3034 K3039 F3040 K3041S3033-E3037 WeakPolarHBondContact O-CG 3.37Å; S3033-E3037 PolarHBondContact O-N 2.95Å; E3034-E3037 WeakPolarHBondContact O-CB 3.42Å; E3034-E3037 PolarHBondContact O-N 2.92Å; E3037-K3039 VanDerWaalsContact C-N 3.3Å; E3037-K3039 PolarHBondContact O-N 3.34Å; E3037-F3040 CarbonylContact O-C 3.55Å; E3037-F3040 PolarHBondContact O-N 2.97Å; E3037-K3041 VanDerWaalsContact O-CB 3.26Å; E3037-K3041 WeakPolarHBondContact O-CB 3.09Å; E3037-K3041 WeakPolarHBondContact O-CD 3.44Å; E3037-K3041 WeakPolarHBondContact O-CG 3.37Å; E3037-K3041 PolarHBondContact O-N 3.08Å; E3037-K3041 IonicContact OE2-NZ 3.65Å; E3037-K3041 PolarHBondContact OE2-NZ 3.05Å
3038I79.4Confident77.3Confident25 Ų2570.6 Ų70.613%0.12837%0.366CS..Hα-helixtrans-63.4-41.5175.1-65.8164.5000109.7N2801 L2804 L2805 K2808 E3034 A3035 F3040 K3041 L3042N2801-I3038 HydrophobicContact CB-CG2 4.45Å; L2804-I3038 HydrophobicContact CD2-CD1 3.84Å; L2804-I3038 HydrophobicContact CG-CD1 4.07Å; L2805-I3038 HydrophobicContact CB-CG2 3.95Å; L2805-I3038 HydrophobicContact CD1-CB 4.18Å; L2805-I3038 HydrophobicContact CD1-CG2 4.1Å; K2808-I3038 HydrophobicContact CG-CD1 4.34Å; E3034-I3038 WeakPolarHBondContact O-CB 3.33Å; E3034-I3038 WeakPolarHBondContact O-CD1 3.26Å; E3034-I3038 VanDerWaalsContact O-CG1 3.27Å; E3034-I3038 WeakPolarHBondContact O-CG1 3.33Å; E3034-I3038 PolarHBondContact O-N 3.13Å; A3035-I3038 PolarHBondContact O-N 2.91Å; I3038-F3040 PolarHBondContact O-N 3.19Å; I3038-K3041 CarbonylContact O-C 3.55Å; I3038-K3041 PolarHBondContact O-N 3.11Å; I3038-L3042 WeakPolarHBondContact O-CB 3.42Å; I3038-L3042 PolarHBondContact O-N 3.09Å
3039K77.7Confident77.1Confident107 Ų10770.5 Ų70.547%0.46537%0.367SS..Hα-helixtrans-62.9-43.9175.7-173.4179.6177.4-178.20111.6L2805 A3035 S3036 E3037 K3041 L3042 D3043L2805-K3039 HydrophobicContact CD1-CB 3.91Å; L2805-K3039 HydrophobicContact CD2-CB 4.13Å; L2805-K3039 HydrophobicContact CD2-CG 4.18Å; A3035-K3039 WeakPolarHBondContact O-CA 3.15Å; A3035-K3039 VanDerWaalsContact O-CB 3.27Å; A3035-K3039 WeakPolarHBondContact O-CB 3.4Å; A3035-K3039 PolarHBondContact O-N 3.22Å; S3036-K3039 PolarHBondContact O-N 3.21Å; E3037-K3039 VanDerWaalsContact C-N 3.3Å; E3037-K3039 PolarHBondContact O-N 3.34Å; K3039-K3041 VanDerWaalsContact C-N 3.32Å; K3039-K3041 PolarHBondContact O-N 2.93Å; K3039-L3042 CarbonylContact O-C 3.51Å; K3039-L3042 WeakPolarHBondContact O-CA 3.31Å; K3039-L3042 PolarHBondContact O-N 3.21Å; K3039-D3043 VanDerWaalsContact O-CB 3.31Å; K3039-D3043 WeakPolarHBondContact O-CB 3.47Å; K3039-D3043 PolarHBondContact O-N 2.97Å
3040F76Confident76.9Confident131.8 Ų131.870.5 Ų70.558%0.57837%0.368SS*.Hα-helixtrans-64.4-38.9177.1-174.8-98.3000111.9S3036 E3037 I3038 L3042 D3043 N3044S3036-F3040 VanDerWaalsContact O-CB 3.29Å; S3036-F3040 WeakPolarHBondContact O-CB 3.26Å; S3036-F3040 PolarHBondContact O-N 3.13Å; E3037-F3040 CarbonylContact O-C 3.55Å; E3037-F3040 PolarHBondContact O-N 2.97Å; I3038-F3040 PolarHBondContact O-N 3.19Å; F3040-L3042 VanDerWaalsContact C-N 3.35Å; F3040-D3043 CarbonylContact O-C 3.47Å; F3040-D3043 PolarHBondContact O-N 3.42Å; F3040-N3044 VanDerWaalsContact CE1-ND2 3.28Å; F3040-N3044 WeakPolarHBondContact CE1-ND2 3.39Å; F3040-N3044 WeakPolarHBondContact CZ-ND2 3.36Å; F3040-N3044 WeakPolarHBondContact O-CB 3.22Å; F3040-N3044 PolarHBondContact O-N 3.18Å; F3040-N3044 VanDerWaalsContact O-N 3.14Å; F3040-N3044 PolarHBondContact O-ND2 3.2Å; F3040-N3044 PolarHBondContact O-OD1 2.79Å
3041K77.6Confident76.4Confident115.2 Ų115.268.9 Ų68.950%0.50136%0.362SS..Hα-helixtrans-63.7-43.4171.6-73174.1-177.51720111.3E3037 I3038 K3039 D3043 N3044 E3045E3037-K3041 VanDerWaalsContact O-CB 3.26Å; E3037-K3041 WeakPolarHBondContact O-CB 3.09Å; E3037-K3041 WeakPolarHBondContact O-CD 3.44Å; E3037-K3041 WeakPolarHBondContact O-CG 3.37Å; E3037-K3041 PolarHBondContact O-N 3.08Å; E3037-K3041 IonicContact OE2-NZ 3.65Å; E3037-K3041 PolarHBondContact OE2-NZ 3.05Å; I3038-K3041 CarbonylContact O-C 3.55Å; I3038-K3041 PolarHBondContact O-N 3.11Å; K3039-K3041 VanDerWaalsContact C-N 3.32Å; K3039-K3041 PolarHBondContact O-N 2.93Å; K3041-D3043 VanDerWaalsContact C-N 3.34Å; K3041-D3043 PolarHBondContact O-N 3.17Å; K3041-N3044 PolarHBondContact O-N 3.16Å; K3041-E3045 VanDerWaalsContact O-CB 3.31Å; K3041-E3045 WeakPolarHBondContact O-CB 3.35Å; K3041-E3045 VanDerWaalsContact O-CG 3.29Å; K3041-E3045 WeakPolarHBondContact O-CG 3.34Å; K3041-E3045 PolarHBondContact O-N 3.35Å
3042L78.2Confident75.9Confident35.6 Ų35.668.7 Ų68.719%0.18636%0.364CS..Hα-helixtrans-67.6-35.4178.4-159.9106.8000112.9A2798 N2801 S2802 L2805 I3038 K3039 F3040 N3044 E3045 G3046A2798-L3042 WeakPolarHBondContact O-CD1 3.43Å; N2801-L3042 VanDerWaalsContact C-CD1 3.45Å; N2801-L3042 HydrophobicContact CB-CD1 3.63Å; N2801-L3042 VanDerWaalsContact CB-CD1 3.46Å; S2802-L3042 VanDerWaalsContact N-CD1 3.3Å; L2805-L3042 HydrophobicContact CD2-CD2 4.12Å; I3038-L3042 WeakPolarHBondContact O-CB 3.42Å; I3038-L3042 PolarHBondContact O-N 3.09Å; K3039-L3042 CarbonylContact O-C 3.51Å; K3039-L3042 WeakPolarHBondContact O-CA 3.31Å; K3039-L3042 PolarHBondContact O-N 3.21Å; F3040-L3042 VanDerWaalsContact C-N 3.35Å; L3042-N3044 VanDerWaalsContact C-N 3.3Å; L3042-N3044 PolarHBondContact O-N 3.46Å; L3042-E3045 PolarHBondContact O-N 3.09Å; L3042-G3046 VanDerWaalsContact O-CA 3.28Å; L3042-G3046 WeakPolarHBondContact O-CA 3.33Å; L3042-G3046 PolarHBondContact O-N 3.29Å
3043D75.9Confident75.6Confident81 Ų8170.1 Ų70.143%0.43337%0.367SS..Hα-helixtrans-70.4-33.9174.6-79.9-12.2000111K3039 F3040 K3041 K3047K3039-D3043 VanDerWaalsContact O-CB 3.31Å; K3039-D3043 WeakPolarHBondContact O-CB 3.47Å; K3039-D3043 PolarHBondContact O-N 2.97Å; F3040-D3043 CarbonylContact O-C 3.47Å; F3040-D3043 PolarHBondContact O-N 3.42Å; K3041-D3043 VanDerWaalsContact C-N 3.34Å; K3041-D3043 PolarHBondContact O-N 3.17Å; D3043-K3047 VanDerWaalsContact O-CB 3.26Å; D3043-K3047 WeakPolarHBondContact O-CB 3.49Å; D3043-K3047 VanDerWaalsContact O-CD 3.31Å; D3043-K3047 WeakPolarHBondContact O-CD 3.23Å; D3043-K3047 WeakPolarHBondContact O-CE 3.04Å; D3043-K3047 VanDerWaalsContact O-CG 3.31Å; D3043-K3047 WeakPolarHBondContact O-CG 3.3Å; D3043-K3047 PolarHBondContact O-N 3.07Å; D3043-K3047 VanDerWaalsContact O-N 3.12Å
3044N75Confident75.2Confident65 Ų6570.4 Ų70.435%0.34837%0.367SS..Hα-helixtrans-76.1-45.5174.3-74.1-16.8000111.7F3040 K3041 L3042 G3046 K3047 T3048F3040-N3044 VanDerWaalsContact CE1-ND2 3.28Å; F3040-N3044 WeakPolarHBondContact CE1-ND2 3.39Å; F3040-N3044 WeakPolarHBondContact CZ-ND2 3.36Å; F3040-N3044 WeakPolarHBondContact O-CB 3.22Å; F3040-N3044 PolarHBondContact O-N 3.18Å; F3040-N3044 VanDerWaalsContact O-N 3.14Å; F3040-N3044 PolarHBondContact O-ND2 3.2Å; F3040-N3044 PolarHBondContact O-OD1 2.79Å; K3041-N3044 PolarHBondContact O-N 3.16Å; L3042-N3044 VanDerWaalsContact C-N 3.3Å; L3042-N3044 PolarHBondContact O-N 3.46Å; N3044-G3046 VanDerWaalsContact C-N 3.27Å; N3044-G3046 PolarHBondContact O-N 3.23Å; N3044-K3047 CarbonylContact O-C 3.03Å; N3044-K3047 PolarHBondContact O-N 3.04Å; N3044-K3047 PolarHBondContact OD1-NZ 3.19Å; N3044-T3048 WeakPolarHBondContact O-CB 3.43Å; N3044-T3048 WeakPolarHBondContact O-CG2 3.45Å; N3044-T3048 PolarHBondContact O-N 3.1Å; N3044-T3048 PolarHBondContact O-OG1 3.08Å; N3044-T3048 VanDerWaalsContact O-OG1 3.09Å
3045E73.7Confident74.5Confident46.6 Ų46.669.8 Ų69.822%0.21837%0.366CS..Hα-helixtrans-56.3-43.5170.2-76169.7-176.800110.1N2801 K3041 L3042 K3047 T3048 L3049N2801-E3045 VanDerWaalsContact ND2-CD 3.29Å; N2801-E3045 PolarHBondContact ND2-OE1 3.04Å; N2801-E3045 VanDerWaalsContact ND2-OE1 3.17Å; N2801-E3045 PolarHBondContact ND2-OE2 3.01Å; K3041-E3045 VanDerWaalsContact O-CB 3.31Å; K3041-E3045 WeakPolarHBondContact O-CB 3.35Å; K3041-E3045 VanDerWaalsContact O-CG 3.29Å; K3041-E3045 WeakPolarHBondContact O-CG 3.34Å; K3041-E3045 PolarHBondContact O-N 3.35Å; L3042-E3045 PolarHBondContact O-N 3.09Å; E3045-K3047 PolarHBondContact O-N 3.43Å; E3045-T3048 VanDerWaalsContact CA-OG1 3.29Å; E3045-T3048 WeakPolarHBondContact CA-OG1 3.32Å; E3045-T3048 CarbonylContact O-C 3.17Å; E3045-T3048 PolarHBondContact O-N 2.93Å; E3045-T3048 VanDerWaalsContact O-N 3.13Å; E3045-T3048 PolarHBondContact O-OG1 3.05Å; E3045-L3049 VanDerWaalsContact O-CB 3.28Å; E3045-L3049 WeakPolarHBondContact O-CB 3.37Å; E3045-L3049 VanDerWaalsContact O-CG 3.3Å; E3045-L3049 WeakPolarHBondContact O-CG 3.45Å; E3045-L3049 PolarHBondContact O-N 3.1Å
3046G73.3Confident74.1Confident30 Ų3071.6 Ų71.631%0.30938%0.375SS..Hα-helixtrans-64-41.2177.100000113.3L3042 N3044 L3049 Q3050L3042-G3046 VanDerWaalsContact O-CA 3.28Å; L3042-G3046 WeakPolarHBondContact O-CA 3.33Å; L3042-G3046 PolarHBondContact O-N 3.29Å; N3044-G3046 VanDerWaalsContact C-N 3.27Å; N3044-G3046 PolarHBondContact O-N 3.23Å; G3046-L3049 PolarHBondContact O-N 3.36Å; G3046-Q3050 WeakPolarHBondContact O-CA 3.14Å; G3046-Q3050 WeakPolarHBondContact O-CB 3.29Å; G3046-Q3050 WeakPolarHBondContact O-CG 2.94Å; G3046-Q3050 PolarHBondContact O-N 3.07Å
3047K72.8Confident73.8Confident129.6 Ų129.671.8 Ų71.856%0.56338%0.382SS*.Hα-helixtrans-66.5-40.1172.5-75.4169.5-166.5165.40112.1D3043 N3044 E3045 L3049 Q3050 A3051D3043-K3047 VanDerWaalsContact O-CB 3.26Å; D3043-K3047 WeakPolarHBondContact O-CB 3.49Å; D3043-K3047 VanDerWaalsContact O-CD 3.31Å; D3043-K3047 WeakPolarHBondContact O-CD 3.23Å; D3043-K3047 WeakPolarHBondContact O-CE 3.04Å; D3043-K3047 VanDerWaalsContact O-CG 3.31Å; D3043-K3047 WeakPolarHBondContact O-CG 3.3Å; D3043-K3047 PolarHBondContact O-N 3.07Å; D3043-K3047 VanDerWaalsContact O-N 3.12Å; N3044-K3047 CarbonylContact O-C 3.03Å; N3044-K3047 PolarHBondContact O-N 3.04Å; N3044-K3047 PolarHBondContact OD1-NZ 3.19Å; E3045-K3047 PolarHBondContact O-N 3.43Å; K3047-L3049 VanDerWaalsContact C-N 3.34Å; K3047-L3049 PolarHBondContact O-N 2.84Å; K3047-Q3050 CarbonylContact O-C 3.57Å; K3047-Q3050 PolarHBondContact O-N 3.01Å; K3047-A3051 WeakPolarHBondContact O-CA 3.31Å; K3047-A3051 WeakPolarHBondContact O-CB 3.45Å; K3047-A3051 PolarHBondContact O-N 3.19Å
3048T72.4Confident73.2Confident71.2 Ų71.272.9 Ų72.944%0.43739%0.385SS..Hα-helixtrans-68.7-37.9176.413.30000111.4L2794 N3044 E3045 A3051 A3052L2794-T3048 HydrophobicContact CD1-CG2 4.09Å; N3044-T3048 WeakPolarHBondContact O-CB 3.43Å; N3044-T3048 WeakPolarHBondContact O-CG2 3.45Å; N3044-T3048 PolarHBondContact O-N 3.1Å; N3044-T3048 PolarHBondContact O-OG1 3.08Å; N3044-T3048 VanDerWaalsContact O-OG1 3.09Å; E3045-T3048 VanDerWaalsContact CA-OG1 3.29Å; E3045-T3048 WeakPolarHBondContact CA-OG1 3.32Å; E3045-T3048 CarbonylContact O-C 3.17Å; E3045-T3048 PolarHBondContact O-N 2.93Å; E3045-T3048 VanDerWaalsContact O-N 3.13Å; E3045-T3048 PolarHBondContact O-OG1 3.05Å; T3048-A3051 PolarHBondContact O-N 3.25Å; T3048-A3052 VanDerWaalsContact O-CB 3.27Å; T3048-A3052 WeakPolarHBondContact O-CB 3.36Å; T3048-A3052 PolarHBondContact O-N 3.2Å
3049L75.5Confident72.7Confident36.4 Ų36.474.2 Ų74.219%0.19139%0.392CS..Hα-helixtrans-65.7-45.5173.4-136163.1000110.8L2794 K2795 A2798 E3045 G3046 K3047 A3051 A3052 E3053L2794-L3049 HydrophobicContact CB-CD1 4.39Å; L2794-L3049 HydrophobicContact CB-CD2 3.79Å; L2794-L3049 HydrophobicContact CB-CG 3.92Å; K2795-L3049 HydrophobicContact CB-CD1 4.4Å; K2795-L3049 HydrophobicContact CB-CD2 3.96Å; K2795-L3049 HydrophobicContact CG-CD1 3.83Å; K2795-L3049 HydrophobicContact CG-CD2 3.94Å; K2795-L3049 HydrophobicContact CG-CG 4.18Å; A2798-L3049 HydrophobicContact CB-CD1 3.57Å; A2798-L3049 VanDerWaalsContact CB-CD1 3.43Å; E3045-L3049 VanDerWaalsContact O-CB 3.28Å; E3045-L3049 WeakPolarHBondContact O-CB 3.37Å; E3045-L3049 VanDerWaalsContact O-CG 3.3Å; E3045-L3049 WeakPolarHBondContact O-CG 3.45Å; E3045-L3049 PolarHBondContact O-N 3.1Å; G3046-L3049 PolarHBondContact O-N 3.36Å; K3047-L3049 VanDerWaalsContact C-N 3.34Å; K3047-L3049 PolarHBondContact O-N 2.84Å; L3049-A3051 VanDerWaalsContact C-N 3.32Å; L3049-A3051 PolarHBondContact O-N 3.17Å; L3049-A3052 CarbonylContact O-C 3.58Å; L3049-A3052 WeakPolarHBondContact O-CA 3.46Å; L3049-A3052 WeakPolarHBondContact O-CB 3.32Å; L3049-A3052 PolarHBondContact O-N 3.19Å; L3049-E3053 HydrophobicContact CD2-CG 3.88Å; L3049-E3053 VanDerWaalsContact CD2-OE1 3.28Å; L3049-E3053 WeakPolarHBondContact CD2-OE1 3.41Å; L3049-E3053 HydrophobicContact CG-CG 4.4Å; L3049-E3053 WeakPolarHBondContact O-CA 3.42Å; L3049-E3053 VanDerWaalsContact O-CB 3.31Å; L3049-E3053 WeakPolarHBondContact O-CB 3.34Å; L3049-E3053 VanDerWaalsContact O-CG 3.28Å; L3049-E3053 WeakPolarHBondContact O-CG 3.29Å; L3049-E3053 PolarHBondContact O-N 3.01Å
3050Q73Confident72.3Confident127.8 Ų127.869.7 Ų69.760%0.59738%0.376SS*.Hα-helixtrans-64.2-37.9176.8-155.8-179.618.200112.2G3046 K3047 A3052 E3053 T3054G3046-Q3050 WeakPolarHBondContact O-CA 3.14Å; G3046-Q3050 WeakPolarHBondContact O-CB 3.29Å; G3046-Q3050 WeakPolarHBondContact O-CG 2.94Å; G3046-Q3050 PolarHBondContact O-N 3.07Å; K3047-Q3050 CarbonylContact O-C 3.57Å; K3047-Q3050 PolarHBondContact O-N 3.01Å; Q3050-A3052 PolarHBondContact O-N 3.25Å; Q3050-E3053 WeakPolarHBondContact CA-OE2 3.37Å; Q3050-T3054 WeakPolarHBondContact O-CA 3.09Å; Q3050-T3054 VanDerWaalsContact O-CB 3.27Å; Q3050-T3054 WeakPolarHBondContact O-CB 3.32Å; Q3050-T3054 PolarHBondContact O-N 3.4Å; Q3050-T3054 VanDerWaalsContact O-N 3.12Å; Q3050-T3054 PolarHBondContact O-OG1 3.16Å
3051A68.5Low72Confident46 Ų4667.1 Ų67.138%0.3837%0.374SS..Hα-helixtrans-66.8-40.6173.400000111.3K3047 T3048 L3049 T3054 L3055K3047-A3051 WeakPolarHBondContact O-CA 3.31Å; K3047-A3051 WeakPolarHBondContact O-CB 3.45Å; K3047-A3051 PolarHBondContact O-N 3.19Å; T3048-A3051 PolarHBondContact O-N 3.25Å; L3049-A3051 VanDerWaalsContact C-N 3.32Å; L3049-A3051 PolarHBondContact O-N 3.17Å; A3051-T3054 PolarHBondContact O-N 3.06Å; A3051-L3055 VanDerWaalsContact O-CB 3.23Å; A3051-L3055 WeakPolarHBondContact O-CB 3.35Å; A3051-L3055 VanDerWaalsContact O-CG 3.29Å; A3051-L3055 WeakPolarHBondContact O-CG 3.35Å; A3051-L3055 PolarHBondContact O-N 2.94Å
3052A71.2Confident71.6Confident20 Ų2064.3 Ų64.317%0.16536%0.363CS..Hα-helixtrans-69.9-39.5177.400000113.1T2791 T3048 L3049 Q3050 T3054 L3055 T3056 L3286T2791-A3052 HydrophobicContact CG2-CB 3.22Å; T3048-A3052 VanDerWaalsContact O-CB 3.27Å; T3048-A3052 WeakPolarHBondContact O-CB 3.36Å; T3048-A3052 PolarHBondContact O-N 3.2Å; L3049-A3052 CarbonylContact O-C 3.58Å; L3049-A3052 WeakPolarHBondContact O-CA 3.46Å; L3049-A3052 WeakPolarHBondContact O-CB 3.32Å; L3049-A3052 PolarHBondContact O-N 3.19Å; Q3050-A3052 PolarHBondContact O-N 3.25Å; A3052-T3054 PolarHBondContact O-N 3.44Å; A3052-L3055 CarbonylContact O-C 3.6Å; A3052-L3055 PolarHBondContact O-N 3.05Å; A3052-T3056 WeakPolarHBondContact O-CB 3.3Å; A3052-T3056 WeakPolarHBondContact O-CG2 3.42Å; A3052-T3056 PolarHBondContact O-N 3.23Å; A3052-T3056 PolarHBondContact O-OG1 3.08Å; A3052-T3056 VanDerWaalsContact O-OG1 3.1Å; A3052-L3286 VanDerWaalsContact CA-CD2 3.46Å; A3052-L3286 HydrophobicContact CB-CD1 4.13Å; A3052-L3286 HydrophobicContact CB-CD2 3.5Å; A3052-L3286 HydrophobicContact CB-CG 4.47Å
3053E72Confident71.5Confident82.8 Ų82.865.7 Ų65.739%0.38737%0.366SS..Hα-helixtrans-64.4-42.3171.7-75.7-175.9153.600110.7K2795 L3049 Q3050 L3055 T3056 A3057K2795-E3053 WeakPolarHBondContact CE-OE1 3.3Å; K2795-E3053 IonicContact NZ-OE1 3.58Å; K2795-E3053 PolarHBondContact NZ-OE1 3.09Å; L3049-E3053 HydrophobicContact CD2-CG 3.88Å; L3049-E3053 VanDerWaalsContact CD2-OE1 3.28Å; L3049-E3053 WeakPolarHBondContact CD2-OE1 3.41Å; L3049-E3053 HydrophobicContact CG-CG 4.4Å; L3049-E3053 WeakPolarHBondContact O-CA 3.42Å; L3049-E3053 VanDerWaalsContact O-CB 3.31Å; L3049-E3053 WeakPolarHBondContact O-CB 3.34Å; L3049-E3053 VanDerWaalsContact O-CG 3.28Å; L3049-E3053 WeakPolarHBondContact O-CG 3.29Å; L3049-E3053 PolarHBondContact O-N 3.01Å; Q3050-E3053 WeakPolarHBondContact CA-OE2 3.37Å; E3053-L3055 VanDerWaalsContact C-N 3.3Å; E3053-L3055 PolarHBondContact O-N 3.09Å; E3053-T3056 VanDerWaalsContact CA-OG1 3.32Å; E3053-T3056 WeakPolarHBondContact CA-OG1 3.34Å; E3053-T3056 CarbonylContact O-C 3.56Å; E3053-T3056 PolarHBondContact O-N 3.18Å; E3053-T3056 PolarHBondContact O-OG1 3.1Å; E3053-T3056 VanDerWaalsContact O-OG1 3.13Å; E3053-A3057 WeakPolarHBondContact O-CA 3.43Å; E3053-A3057 WeakPolarHBondContact O-CB 3.32Å; E3053-A3057 PolarHBondContact O-N 3.15Å
3054T69.1Low71.5Confident66.4 Ų66.466.2 Ų66.241%0.40737%0.369SS..Hα-helixtrans-64.8-38.4176.8-57.30000111.1Q3050 A3051 A3052 K3058Q3050-T3054 WeakPolarHBondContact O-CA 3.09Å; Q3050-T3054 VanDerWaalsContact O-CB 3.27Å; Q3050-T3054 WeakPolarHBondContact O-CB 3.32Å; Q3050-T3054 PolarHBondContact O-N 3.4Å; Q3050-T3054 VanDerWaalsContact O-N 3.12Å; Q3050-T3054 PolarHBondContact O-OG1 3.16Å; A3051-T3054 PolarHBondContact O-N 3.06Å; A3052-T3054 PolarHBondContact O-N 3.44Å; T3054-K3058 HydrophobicContact CG2-CD 4.24Å; T3054-K3058 HydrophobicContact CG2-CG 4.46Å; T3054-K3058 VanDerWaalsContact O-CB 3.3Å; T3054-K3058 WeakPolarHBondContact O-CB 3.33Å; T3054-K3058 VanDerWaalsContact O-CG 3.28Å; T3054-K3058 WeakPolarHBondContact O-CG 3.42Å; T3054-K3058 PolarHBondContact O-N 3.19Å
3055L66.7Low71.5Confident66.4 Ų66.468.7 Ų68.735%0.34837%0.373SS..Hα-helixtrans-68.8-50.5175-104.5160.3000111.4A3051 A3052 E3053 A3057 K3058 L3059 G3060 I3285 L3292A3051-L3055 VanDerWaalsContact O-CB 3.23Å; A3051-L3055 WeakPolarHBondContact O-CB 3.35Å; A3051-L3055 VanDerWaalsContact O-CG 3.29Å; A3051-L3055 WeakPolarHBondContact O-CG 3.35Å; A3051-L3055 PolarHBondContact O-N 2.94Å; A3052-L3055 CarbonylContact O-C 3.6Å; A3052-L3055 PolarHBondContact O-N 3.05Å; E3053-L3055 VanDerWaalsContact C-N 3.3Å; E3053-L3055 PolarHBondContact O-N 3.09Å; L3055-A3057 VanDerWaalsContact C-N 3.3Å; L3055-A3057 PolarHBondContact O-N 3.1Å; L3055-K3058 CarbonylContact O-C 3.04Å; L3055-K3058 PolarHBondContact O-N 3.26Å; L3055-L3059 HydrophobicContact CB-CD1 4.48Å; L3055-L3059 HydrophobicContact CD2-CD1 3.61Å; L3055-L3059 HydrophobicContact CD2-CG 4.2Å; L3055-L3059 HydrophobicContact CG-CD1 3.67Å; L3055-L3059 CarbonylContact O-C 3.59Å; L3055-L3059 VanDerWaalsContact O-C 3.23Å; L3055-L3059 WeakPolarHBondContact O-CA 3.44Å; L3055-L3059 VanDerWaalsContact O-CB 3.25Å; L3055-L3059 WeakPolarHBondContact O-CB 3.37Å; L3055-L3059 WeakPolarHBondContact O-CD1 3.24Å; L3055-L3059 VanDerWaalsContact O-CG 3.28Å; L3055-L3059 WeakPolarHBondContact O-CG 3.38Å; L3055-L3059 PolarHBondContact O-N 3.03Å; L3055-G3060 PolarHBondContact O-N 3.1Å; L3055-I3285 HydrophobicContact CD1-CG2 3.85Å; L3055-I3285 HydrophobicContact CD2-CG2 3.87Å; L3055-L3292 HydrophobicContact CD1-CD2 3.96Å; L3055-L3292 HydrophobicContact CD1-CG 4.46Å
3056T70.8Confident71.9Confident45 Ų4569.6 Ų69.628%0.27638%0.375SS..Hα-helixtrans-66.3-24.5177.553.20000112.9R2788 T2791 A3052 E3053 L3059 G3060R2788-T3056 HydrophobicContact CG-CG2 4.04Å; T2791-T3056 HydrophobicContact CG2-CG2 4.25Å; A3052-T3056 WeakPolarHBondContact O-CB 3.3Å; A3052-T3056 WeakPolarHBondContact O-CG2 3.42Å; A3052-T3056 PolarHBondContact O-N 3.23Å; A3052-T3056 PolarHBondContact O-OG1 3.08Å; A3052-T3056 VanDerWaalsContact O-OG1 3.1Å; E3053-T3056 VanDerWaalsContact CA-OG1 3.32Å; E3053-T3056 WeakPolarHBondContact CA-OG1 3.34Å; E3053-T3056 CarbonylContact O-C 3.56Å; E3053-T3056 PolarHBondContact O-N 3.18Å; E3053-T3056 PolarHBondContact O-OG1 3.1Å; E3053-T3056 VanDerWaalsContact O-OG1 3.13Å; T3056-L3059 CarbonylContact O-C 3.57Å; T3056-L3059 PolarHBondContact O-N 3.36Å; T3056-G3060 VanDerWaalsContact O-CA 3.31Å; T3056-G3060 WeakPolarHBondContact O-CA 3.35Å; T3056-G3060 PolarHBondContact O-N 3.11Å
3057A70.3Confident72.2Confident71.8 Ų71.870.8 Ų70.859%0.59338%0.375SS*.Hα-helixtrans-77.9-41.2171.200000112E3053 L3055 L3059 G3060 S3061E3053-A3057 WeakPolarHBondContact O-CA 3.43Å; E3053-A3057 WeakPolarHBondContact O-CB 3.32Å; E3053-A3057 PolarHBondContact O-N 3.15Å; L3055-A3057 VanDerWaalsContact C-N 3.3Å; L3055-A3057 PolarHBondContact O-N 3.1Å; A3057-L3059 VanDerWaalsContact C-N 3.3Å; A3057-L3059 PolarHBondContact O-N 3.11Å; A3057-G3060 VanDerWaalsContact CA-CA 3.44Å; A3057-G3060 PolarHBondContact O-N 3.19Å; A3057-G3060 VanDerWaalsContact O-N 3.15Å; A3057-S3061 PolarHBondContact O-N 2.74Å
3058K67.2Low72.6Confident130.4 Ų130.470.4 Ų70.457%0.56738%0.379SS*.Hα-helixtrans-71.5-39.7176.2-76.1179.2179.6-178.30112.7T3054 L3055 G3060 S3061 E3062 L3295 N3296 K3299T3054-K3058 HydrophobicContact CG2-CD 4.24Å; T3054-K3058 HydrophobicContact CG2-CG 4.46Å; T3054-K3058 VanDerWaalsContact O-CB 3.3Å; T3054-K3058 WeakPolarHBondContact O-CB 3.33Å; T3054-K3058 VanDerWaalsContact O-CG 3.28Å; T3054-K3058 WeakPolarHBondContact O-CG 3.42Å; T3054-K3058 PolarHBondContact O-N 3.19Å; L3055-K3058 CarbonylContact O-C 3.04Å; L3055-K3058 PolarHBondContact O-N 3.26Å; K3058-G3060 VanDerWaalsContact C-N 3.26Å; K3058-G3060 PolarHBondContact O-N 3.28Å; K3058-S3061 PolarHBondContact O-N 2.71Å; K3058-S3061 PolarHBondContact O-OG 2.97Å; K3058-E3062 PolarHBondContact O-N 3.37Å; K3058-E3062 VanDerWaalsContact O-N 3.14Å; K3058-L3295 HydrophobicContact CB-CD2 4.26Å; K3058-L3295 HydrophobicContact CD-CD2 4.34Å; K3058-N3296 PolarHBondContact NZ-OD1 3.33Å; K3058-K3299 PolarHBondContact O-NZ 3.45Å; K3058-K3299 VanDerWaalsContact O-NZ 3.1Å
3059L69.3Low73Confident53 Ų5370.4 Ų70.428%0.27737%0.374SS..Hα-helixtrans-82.5-4.8171.9-64170.4000112.5L2784 L3055 T3056 A3057 S3061 E3062 Y3063 L3295L2784-L3059 HydrophobicContact CD2-CB 4.11Å; L2784-L3059 HydrophobicContact CD2-CD1 3.76Å; L2784-L3059 HydrophobicContact CD2-CG 4.36Å; L3055-L3059 HydrophobicContact CB-CD1 4.48Å; L3055-L3059 HydrophobicContact CD2-CD1 3.61Å; L3055-L3059 HydrophobicContact CD2-CG 4.2Å; L3055-L3059 HydrophobicContact CG-CD1 3.67Å; L3055-L3059 CarbonylContact O-C 3.59Å; L3055-L3059 VanDerWaalsContact O-C 3.23Å; L3055-L3059 WeakPolarHBondContact O-CA 3.44Å; L3055-L3059 VanDerWaalsContact O-CB 3.25Å; L3055-L3059 WeakPolarHBondContact O-CB 3.37Å; L3055-L3059 WeakPolarHBondContact O-CD1 3.24Å; L3055-L3059 VanDerWaalsContact O-CG 3.28Å; L3055-L3059 WeakPolarHBondContact O-CG 3.38Å; L3055-L3059 PolarHBondContact O-N 3.03Å; T3056-L3059 CarbonylContact O-C 3.57Å; T3056-L3059 PolarHBondContact O-N 3.36Å; A3057-L3059 VanDerWaalsContact C-N 3.3Å; A3057-L3059 PolarHBondContact O-N 3.11Å; L3059-S3061 PolarHBondContact O-N 3.22Å; L3059-E3062 HydrophobicContact CD2-CB 4.41Å; L3059-E3062 HydrophobicContact CD2-CG 4.43Å; L3059-E3062 CarbonylContact O-C 3.58Å; L3059-E3062 WeakPolarHBondContact O-CB 3.5Å; L3059-E3062 PolarHBondContact O-N 3.31Å; L3059-E3062 VanDerWaalsContact O-N 3.14Å; L3059-Y3063 VanDerWaalsContact O-CA 3.31Å; L3059-Y3063 WeakPolarHBondContact O-CA 2.87Å; L3059-Y3063 WeakPolarHBondContact O-CB 3.36Å; L3059-Y3063 PolarHBondContact O-N 3.11Å; L3059-L3295 HydrophobicContact CD2-CD1 4.15Å; L3059-L3295 HydrophobicContact CD2-CD2 4.32Å
3060G70.3Confident73.2Confident12.6 Ų12.671.4 Ų71.413%0.1338%0.379CS..Hα-helixtrans-61.2-50.3174.200000111.8L3055 T3056 A3057 K3058 E3062 Y3063 D3064L3055-G3060 PolarHBondContact O-N 3.1Å; T3056-G3060 VanDerWaalsContact O-CA 3.31Å; T3056-G3060 WeakPolarHBondContact O-CA 3.35Å; T3056-G3060 PolarHBondContact O-N 3.11Å; A3057-G3060 VanDerWaalsContact CA-CA 3.44Å; A3057-G3060 PolarHBondContact O-N 3.19Å; A3057-G3060 VanDerWaalsContact O-N 3.15Å; K3058-G3060 VanDerWaalsContact C-N 3.26Å; K3058-G3060 PolarHBondContact O-N 3.28Å; G3060-E3062 VanDerWaalsContact C-N 3.27Å; G3060-E3062 CarbonylContact O-C 3.54Å; G3060-E3062 PolarHBondContact O-N 2.93Å; G3060-Y3063 CarbonylContact O-C 3.58Å; G3060-Y3063 WeakPolarHBondContact O-CA 3.21Å; G3060-Y3063 WeakPolarHBondContact O-CB 3.28Å; G3060-Y3063 PolarHBondContact O-N 3.11Å; G3060-D3064 VanDerWaalsContact C-CG 3.46Å; G3060-D3064 WeakPolarHBondContact O-CA 3.17Å; G3060-D3064 WeakPolarHBondContact O-CB 3.38Å; G3060-D3064 VanDerWaalsContact O-CG 3.27Å; G3060-D3064 PolarHBondContact O-N 3.02Å
3061S69.4Low73.7Confident77 Ų7768.4 Ų68.454%0.53837%0.372SS..Hα-helixtrans-62.5-32.3176.160.20000113.6A3057 K3058 L3059 D3064 R3065A3057-S3061 PolarHBondContact O-N 2.74Å; K3058-S3061 PolarHBondContact O-N 2.71Å; K3058-S3061 PolarHBondContact O-OG 2.97Å; L3059-S3061 PolarHBondContact O-N 3.22Å; S3061-D3064 PolarHBondContact N-OD2 3.49Å; S3061-R3065 VanDerWaalsContact O-CB 3.26Å; S3061-R3065 WeakPolarHBondContact O-CB 3.37Å; S3061-R3065 PolarHBondContact O-N 3.08Å; S3061-R3065 VanDerWaalsContact O-N 3.11Å
3062E69.3Low74.3Confident56 Ų5669.1 Ų69.126%0.26238%0.375SS..Hα-helixtrans-75-36.7174-68.7-62.1148.200112.2K3058 L3059 G3060 D3064 R3065 W3066K3058-E3062 PolarHBondContact O-N 3.37Å; K3058-E3062 VanDerWaalsContact O-N 3.14Å; L3059-E3062 HydrophobicContact CD2-CB 4.41Å; L3059-E3062 HydrophobicContact CD2-CG 4.43Å; L3059-E3062 CarbonylContact O-C 3.58Å; L3059-E3062 WeakPolarHBondContact O-CB 3.5Å; L3059-E3062 PolarHBondContact O-N 3.31Å; L3059-E3062 VanDerWaalsContact O-N 3.14Å; G3060-E3062 VanDerWaalsContact C-N 3.27Å; G3060-E3062 CarbonylContact O-C 3.54Å; G3060-E3062 PolarHBondContact O-N 2.93Å; E3062-D3064 PolarHBondContact O-N 2.81Å; E3062-R3065 CarbonylContact O-C 3.57Å; E3062-R3065 PolarHBondContact O-N 3.15Å; E3062-R3065 IonicContact OE1-CZ 2.87Å; E3062-R3065 IonicContact OE1-NE 3.22Å; E3062-R3065 IonicContact OE1-NH1 3.21Å; E3062-R3065 PolarHBondContact OE1-NH1 2.88Å; E3062-R3065 IonicContact OE1-NH2 3.16Å; E3062-R3065 PolarHBondContact OE1-NH2 3.37Å; E3062-R3065 IonicContact OE2-CZ 3.37Å; E3062-R3065 IonicContact OE2-NE 3.35Å; E3062-R3065 PolarHBondContact OE2-NE 3.24Å; E3062-R3065 IonicContact OE2-NH1 3.37Å; E3062-R3065 PolarHBondContact OE2-NH1 2.69Å; E3062-R3065 IonicContact OE2-NH2 3.79Å; E3062-R3065 PolarHBondContact OE2-NH2 3.14Å; E3062-W3066 HydrophobicContact CB-CZ2 4.37Å; E3062-W3066 VanDerWaalsContact O-CB 3.29Å; E3062-W3066 WeakPolarHBondContact O-CB 3.33Å; E3062-W3066 PolarHBondContact O-N 3.16Å; E3062-W3066 PolarHBondContact OE2-NE1 3.39Å
3063Y75.8Confident74.9Confident65.4 Ų65.469.3 Ų69.326%0.25637%0.373SS..Hα-helixtrans-62.2-50.2172.5176.6-90.9000111I2781 L2784 N2785 R2788 L3059 G3060 R3065 W3066 T3067I2781-Y3063 HydrophobicContact CG2-CE2 3.88Å; L2784-Y3063 HydrophobicContact CB-CD2 3.98Å; L2784-Y3063 HydrophobicContact CB-CE2 4.43Å; L2784-Y3063 HydrophobicContact CD1-CD2 3.98Å; N2785-Y3063 PolarHBondContact ND2-OH 3.45Å; N2785-Y3063 VanDerWaalsContact OD1-CE2 3.29Å; N2785-Y3063 WeakPolarHBondContact OD1-CE2 3.23Å; N2785-Y3063 PolarHBondContact OD1-OH 3.28Å; N2785-Y3063 VanDerWaalsContact OD1-OH 3.13Å; R2788-Y3063 VanDerWaalsContact NH1-CE1 3.32Å; L3059-Y3063 VanDerWaalsContact O-CA 3.31Å; L3059-Y3063 WeakPolarHBondContact O-CA 2.87Å; L3059-Y3063 WeakPolarHBondContact O-CB 3.36Å; L3059-Y3063 PolarHBondContact O-N 3.11Å; G3060-Y3063 CarbonylContact O-C 3.58Å; G3060-Y3063 WeakPolarHBondContact O-CA 3.21Å; G3060-Y3063 WeakPolarHBondContact O-CB 3.28Å; G3060-Y3063 PolarHBondContact O-N 3.11Å; Y3063-R3065 VanDerWaalsContact C-N 3.31Å; Y3063-R3065 CarbonylContact O-C 3.59Å; Y3063-R3065 PolarHBondContact O-N 3.05Å; Y3063-R3065 VanDerWaalsContact O-N 3.15Å; Y3063-W3066 CarbonylContact O-C 3.56Å; Y3063-W3066 VanDerWaalsContact O-C 3.23Å; Y3063-W3066 WeakPolarHBondContact O-CA 3.16Å; Y3063-W3066 PolarHBondContact O-N 3.13Å; Y3063-T3067 HydrophobicContact CD1-CG2 4.14Å; Y3063-T3067 HydrophobicContact CE1-CG2 3.9Å; Y3063-T3067 HydrophobicContact CE2-CG2 4.12Å; Y3063-T3067 WeakPolarHBondContact CE2-OG1 3.4Å; Y3063-T3067 VanDerWaalsContact O-CA 3.31Å; Y3063-T3067 WeakPolarHBondContact O-CA 3.06Å; Y3063-T3067 VanDerWaalsContact O-CB 3.29Å; Y3063-T3067 WeakPolarHBondContact O-CB 3.33Å; Y3063-T3067 WeakPolarHBondContact O-CG2 3.25Å; Y3063-T3067 PolarHBondContact O-N 3.07Å; Y3063-T3067 PolarHBondContact O-OG1 3.2Å
3064D76.3Confident75.4Confident91.4 Ų91.469.2 Ų69.249%0.48937%0.372SS..Hα-helixtrans-58.8-41.9175.3-62.4-26.2000110.8G3060 S3061 E3062 T3067 L3068G3060-D3064 VanDerWaalsContact C-CG 3.46Å; G3060-D3064 WeakPolarHBondContact O-CA 3.17Å; G3060-D3064 WeakPolarHBondContact O-CB 3.38Å; G3060-D3064 VanDerWaalsContact O-CG 3.27Å; G3060-D3064 PolarHBondContact O-N 3.02Å; S3061-D3064 PolarHBondContact N-OD2 3.49Å; E3062-D3064 PolarHBondContact O-N 2.81Å; D3064-T3067 WeakPolarHBondContact CA-OG1 3.36Å; D3064-T3067 PolarHBondContact O-N 3.13Å; D3064-T3067 PolarHBondContact O-OG1 2.95Å; D3064-L3068 WeakPolarHBondContact O-CA 3.46Å; D3064-L3068 WeakPolarHBondContact O-CB 3.38Å; D3064-L3068 WeakPolarHBondContact O-CD1 3.16Å; D3064-L3068 VanDerWaalsContact O-CG 3.25Å; D3064-L3068 WeakPolarHBondContact O-CG 3.39Å; D3064-L3068 PolarHBondContact O-N 2.96Å; D3064-L3068 VanDerWaalsContact O-N 3.07Å
3065R75.1Confident76.1Confident117.6 Ų117.671.7 Ų71.744%0.44438%0.379SS..Hα-helixtrans-64.2-47.4174.4-172.1-177.5113-174.4-0.8112.3S3061 E3062 Y3063 T3067 L3068 Q3069 E3271S3061-R3065 VanDerWaalsContact O-CB 3.26Å; S3061-R3065 WeakPolarHBondContact O-CB 3.37Å; S3061-R3065 PolarHBondContact O-N 3.08Å; S3061-R3065 VanDerWaalsContact O-N 3.11Å; E3062-R3065 CarbonylContact O-C 3.57Å; E3062-R3065 PolarHBondContact O-N 3.15Å; E3062-R3065 IonicContact OE1-CZ 2.87Å; E3062-R3065 IonicContact OE1-NE 3.22Å; E3062-R3065 IonicContact OE1-NH1 3.21Å; E3062-R3065 PolarHBondContact OE1-NH1 2.88Å; E3062-R3065 IonicContact OE1-NH2 3.16Å; E3062-R3065 PolarHBondContact OE1-NH2 3.37Å; E3062-R3065 IonicContact OE2-CZ 3.37Å; E3062-R3065 IonicContact OE2-NE 3.35Å; E3062-R3065 PolarHBondContact OE2-NE 3.24Å; E3062-R3065 IonicContact OE2-NH1 3.37Å; E3062-R3065 PolarHBondContact OE2-NH1 2.69Å; E3062-R3065 IonicContact OE2-NH2 3.79Å; E3062-R3065 PolarHBondContact OE2-NH2 3.14Å; Y3063-R3065 VanDerWaalsContact C-N 3.31Å; Y3063-R3065 CarbonylContact O-C 3.59Å; Y3063-R3065 PolarHBondContact O-N 3.05Å; Y3063-R3065 VanDerWaalsContact O-N 3.15Å; R3065-T3067 VanDerWaalsContact C-N 3.32Å; R3065-T3067 PolarHBondContact O-N 3.1Å; R3065-L3068 CarbonylContact O-C 3.51Å; R3065-L3068 PolarHBondContact O-N 3.12Å; R3065-Q3069 HydrophobicContact CG-CG 4.39Å; R3065-Q3069 WeakPolarHBondContact O-CA 3.36Å; R3065-Q3069 WeakPolarHBondContact O-CB 3.42Å; R3065-Q3069 VanDerWaalsContact O-CG 3.26Å; R3065-Q3069 WeakPolarHBondContact O-CG 3.31Å; R3065-Q3069 PolarHBondContact O-N 3.13Å; R3065-E3271 IonicContact CZ-OE1 3.16Å; R3065-E3271 VanDerWaalsContact CZ-OE1 3.31Å; R3065-E3271 IonicContact NH1-OE1 3.09Å; R3065-E3271 PolarHBondContact NH1-OE1 3.06Å; R3065-E3271 IonicContact NH2-OE1 2.64Å; R3065-E3271 PolarHBondContact NH2-OE1 2.71Å
3066W80.8Confident76.8Confident65.8 Ų65.872.2 Ų72.225%0.24938%0.38CS..Hα-helixtrans-68.6-29.3179.4-69.2-12000112.5L2777 I2781 L2784 E3062 Y3063 Q3069 L3070 I3274 L3275 L3278L2777-W3066 HydrophobicContact CD1-CB 3.65Å; L2777-W3066 HydrophobicContact CD1-CD2 4.1Å; L2777-W3066 HydrophobicContact CD1-CG 3.6Å; L2777-W3066 HydrophobicContact CD2-CB 3.76Å; L2777-W3066 HydrophobicContact CD2-CD2 4.26Å; L2777-W3066 HydrophobicContact CD2-CG 3.71Å; L2777-W3066 WeakPolarHBondContact CD2-O 3.43Å; L2777-W3066 HydrophobicContact CG-CB 4.39Å; I2781-W3066 HydrophobicContact CD1-CB 4.07Å; I2781-W3066 HydrophobicContact CG1-CB 4.09Å; I2781-W3066 HydrophobicContact CG1-CE3 4.49Å; L2784-W3066 HydrophobicContact CD1-CE3 3.74Å; L2784-W3066 HydrophobicContact CD1-CH2 4.47Å; L2784-W3066 HydrophobicContact CD1-CZ3 3.55Å; L2784-W3066 VanDerWaalsContact CD1-CZ3 3.42Å; L2784-W3066 HydrophobicContact CG-CZ3 4.4Å; E3062-W3066 HydrophobicContact CB-CZ2 4.37Å; E3062-W3066 VanDerWaalsContact O-CB 3.29Å; E3062-W3066 WeakPolarHBondContact O-CB 3.33Å; E3062-W3066 PolarHBondContact O-N 3.16Å; E3062-W3066 PolarHBondContact OE2-NE1 3.39Å; Y3063-W3066 CarbonylContact O-C 3.56Å; Y3063-W3066 VanDerWaalsContact O-C 3.23Å; Y3063-W3066 WeakPolarHBondContact O-CA 3.16Å; Y3063-W3066 PolarHBondContact O-N 3.13Å; W3066-Q3069 CarbonylContact O-C 3.53Å; W3066-Q3069 PolarHBondContact O-N 3.25Å; W3066-L3070 WeakPolarHBondContact O-CA 3.3Å; W3066-L3070 WeakPolarHBondContact O-CB 3.39Å; W3066-L3070 PolarHBondContact O-N 2.99Å; W3066-I3274 HydrophobicContact CH2-CG2 4.47Å; W3066-L3275 HydrophobicContact CD2-CD2 4.47Å; W3066-L3275 HydrophobicContact CH2-CD2 3.9Å; W3066-L3275 HydrophobicContact CZ2-CD2 3.79Å; W3066-L3275 HydrophobicContact CZ2-CG 4.44Å; W3066-L3275 HydrophobicContact CZ3-CD2 4.25Å; W3066-L3278 HydrophobicContact CH2-CD1 3.5Å; W3066-L3278 VanDerWaalsContact CH2-CD1 3.5Å; W3066-L3278 HydrophobicContact CZ3-CD1 3.83Å
3067T79.5Confident77.4Confident53.2 Ų53.272.9 Ų72.933%0.32638%0.381SS..Hα-helixtrans-74.7-38.7175.9-440000110.6I2781 Y3063 D3064 R3065 Q3069 L3070 S3071I2781-T3067 HydrophobicContact CD1-CG2 4.17Å; I2781-T3067 HydrophobicContact CG2-CG2 4.27Å; Y3063-T3067 HydrophobicContact CD1-CG2 4.14Å; Y3063-T3067 HydrophobicContact CE1-CG2 3.9Å; Y3063-T3067 HydrophobicContact CE2-CG2 4.12Å; Y3063-T3067 WeakPolarHBondContact CE2-OG1 3.4Å; Y3063-T3067 VanDerWaalsContact O-CA 3.31Å; Y3063-T3067 WeakPolarHBondContact O-CA 3.06Å; Y3063-T3067 VanDerWaalsContact O-CB 3.29Å; Y3063-T3067 WeakPolarHBondContact O-CB 3.33Å; Y3063-T3067 WeakPolarHBondContact O-CG2 3.25Å; Y3063-T3067 PolarHBondContact O-N 3.07Å; Y3063-T3067 PolarHBondContact O-OG1 3.2Å; D3064-T3067 WeakPolarHBondContact CA-OG1 3.36Å; D3064-T3067 PolarHBondContact O-N 3.13Å; D3064-T3067 PolarHBondContact O-OG1 2.95Å; R3065-T3067 VanDerWaalsContact C-N 3.32Å; R3065-T3067 PolarHBondContact O-N 3.1Å; T3067-Q3069 VanDerWaalsContact C-N 3.33Å; T3067-Q3069 PolarHBondContact O-N 3.33Å; T3067-L3070 WeakPolarHBondContact O-CB 3.39Å; T3067-L3070 PolarHBondContact O-N 3.37Å; T3067-S3071 VanDerWaalsContact O-CA 3.3Å; T3067-S3071 WeakPolarHBondContact O-CA 3.01Å; T3067-S3071 WeakPolarHBondContact O-CB 3.31Å; T3067-S3071 PolarHBondContact O-N 3.07Å; T3067-S3071 VanDerWaalsContact O-N 3.14Å; T3067-S3071 PolarHBondContact O-OG 2.96Å
3068L82Confident78.1Confident121.2 Ų121.275.3 Ų75.364%0.63538%0.38SS*.Hα-helixtrans-66.5-39.1168.4-72168.9000111.9D3064 R3065 L3070 S3071 S3072D3064-L3068 WeakPolarHBondContact O-CA 3.46Å; D3064-L3068 WeakPolarHBondContact O-CB 3.38Å; D3064-L3068 WeakPolarHBondContact O-CD1 3.16Å; D3064-L3068 VanDerWaalsContact O-CG 3.25Å; D3064-L3068 WeakPolarHBondContact O-CG 3.39Å; D3064-L3068 PolarHBondContact O-N 2.96Å; D3064-L3068 VanDerWaalsContact O-N 3.07Å; R3065-L3068 CarbonylContact O-C 3.51Å; R3065-L3068 PolarHBondContact O-N 3.12Å; L3068-L3070 VanDerWaalsContact C-N 3.3Å; L3068-L3070 PolarHBondContact O-N 3.24Å; L3068-S3071 WeakPolarHBondContact CA-OG 3.11Å; L3068-S3071 PolarHBondContact O-N 3.22Å; L3068-S3071 VanDerWaalsContact O-N 3.14Å; L3068-S3071 PolarHBondContact O-OG 3.07Å; L3068-S3072 WeakPolarHBondContact O-CA 2.97Å; L3068-S3072 WeakPolarHBondContact O-CB 3.37Å; L3068-S3072 PolarHBondContact O-N 3.1Å; L3068-S3072 VanDerWaalsContact O-N 3.08Å
3069Q79.9Confident79Confident71.6 Ų71.670.8 Ų70.834%0.33536%0.362SS..Hα-helixtrans-67.5-36.7174.3-75.5179.3-35.500111.6L2777 R3065 W3066 T3067 S3071 S3072 I3073L2777-Q3069 HydrophobicContact CD2-CB 4.02Å; R3065-Q3069 HydrophobicContact CG-CG 4.39Å; R3065-Q3069 WeakPolarHBondContact O-CA 3.36Å; R3065-Q3069 WeakPolarHBondContact O-CB 3.42Å; R3065-Q3069 VanDerWaalsContact O-CG 3.26Å; R3065-Q3069 WeakPolarHBondContact O-CG 3.31Å; R3065-Q3069 PolarHBondContact O-N 3.13Å; W3066-Q3069 CarbonylContact O-C 3.53Å; W3066-Q3069 PolarHBondContact O-N 3.25Å; T3067-Q3069 VanDerWaalsContact C-N 3.33Å; T3067-Q3069 PolarHBondContact O-N 3.33Å; Q3069-S3071 VanDerWaalsContact C-N 3.32Å; Q3069-S3071 PolarHBondContact O-N 2.94Å; Q3069-S3072 WeakPolarHBondContact CA-OG 3.23Å; Q3069-S3072 CarbonylContact O-C 3.59Å; Q3069-S3072 PolarHBondContact O-N 3.15Å; Q3069-S3072 VanDerWaalsContact O-N 3.12Å; Q3069-S3072 PolarHBondContact O-OG 2.9Å; Q3069-I3073 WeakPolarHBondContact O-CB 3.34Å; Q3069-I3073 WeakPolarHBondContact O-CD1 3.44Å; Q3069-I3073 WeakPolarHBondContact O-CG1 3.29Å; Q3069-I3073 PolarHBondContact O-N 3.05Å
3070L81.7Confident79.9Confident58.4 Ų58.469.2 Ų69.231%0.30635%0.354SS..Hα-helixtrans-65.9-39.6176.4-171.6150.1000111L2777 K2778 I2781 W3066 T3067 L3068 S3072 I3073 H3074L2777-L3070 HydrophobicContact CD2-CB 3.86Å; K2778-L3070 HydrophobicContact CG-CD1 3.74Å; I2781-L3070 HydrophobicContact CD1-CB 4.16Å; I2781-L3070 HydrophobicContact CD1-CD1 3.59Å; I2781-L3070 HydrophobicContact CD1-CG 4.42Å; W3066-L3070 WeakPolarHBondContact O-CA 3.3Å; W3066-L3070 WeakPolarHBondContact O-CB 3.39Å; W3066-L3070 PolarHBondContact O-N 2.99Å; T3067-L3070 WeakPolarHBondContact O-CB 3.39Å; T3067-L3070 PolarHBondContact O-N 3.37Å; L3068-L3070 VanDerWaalsContact C-N 3.3Å; L3068-L3070 PolarHBondContact O-N 3.24Å; L3070-S3072 VanDerWaalsContact C-N 3.34Å; L3070-S3072 PolarHBondContact O-N 2.99Å; L3070-I3073 PolarHBondContact O-N 3.14Å; L3070-H3074 WeakPolarHBondContact CD2-CE1 3.43Å; L3070-H3074 WeakPolarHBondContact CD2-ND1 3.44Å; L3070-H3074 WeakPolarHBondContact O-CA 3.36Å; L3070-H3074 WeakPolarHBondContact O-CB 3.22Å; L3070-H3074 PolarHBondContact O-N 3.24Å; L3070-H3074 VanDerWaalsContact O-N 3.13Å; L3070-H3074 PolarHBondContact O-ND1 3.12Å
3071S82.7Confident80.7Confident63.8 Ų63.871.1 Ų71.145%0.44636%0.364SS..Hα-helixtrans-65.9-41.7171.456.30000112.2T3067 L3068 Q3069 I3073 H3074 E3075T3067-S3071 VanDerWaalsContact O-CA 3.3Å; T3067-S3071 WeakPolarHBondContact O-CA 3.01Å; T3067-S3071 WeakPolarHBondContact O-CB 3.31Å; T3067-S3071 PolarHBondContact O-N 3.07Å; T3067-S3071 VanDerWaalsContact O-N 3.14Å; T3067-S3071 PolarHBondContact O-OG 2.96Å; L3068-S3071 WeakPolarHBondContact CA-OG 3.11Å; L3068-S3071 PolarHBondContact O-N 3.22Å; L3068-S3071 VanDerWaalsContact O-N 3.14Å; L3068-S3071 PolarHBondContact O-OG 3.07Å; Q3069-S3071 VanDerWaalsContact C-N 3.32Å; Q3069-S3071 PolarHBondContact O-N 2.94Å; S3071-I3073 PolarHBondContact O-N 3.05Å; S3071-H3074 WeakPolarHBondContact O-CB 3.28Å; S3071-H3074 PolarHBondContact O-N 2.87Å; S3071-E3075 WeakPolarHBondContact O-CA 2.92Å; S3071-E3075 WeakPolarHBondContact O-CB 3.33Å; S3071-E3075 PolarHBondContact O-N 3.11Å; S3071-E3075 VanDerWaalsContact O-N 3.09Å
3072S81.7Confident81.6Confident61.4 Ų61.471.9 Ų71.943%0.42936%0.355SS..Hα-helixtrans-64.8-39.8177.3164.30000112.1L3068 Q3069 L3070 H3074 E3075 E3076L3068-S3072 WeakPolarHBondContact O-CA 2.97Å; L3068-S3072 WeakPolarHBondContact O-CB 3.37Å; L3068-S3072 PolarHBondContact O-N 3.1Å; L3068-S3072 VanDerWaalsContact O-N 3.08Å; Q3069-S3072 WeakPolarHBondContact CA-OG 3.23Å; Q3069-S3072 CarbonylContact O-C 3.59Å; Q3069-S3072 PolarHBondContact O-N 3.15Å; Q3069-S3072 VanDerWaalsContact O-N 3.12Å; Q3069-S3072 PolarHBondContact O-OG 2.9Å; L3070-S3072 VanDerWaalsContact C-N 3.34Å; L3070-S3072 PolarHBondContact O-N 2.99Å; S3072-H3074 VanDerWaalsContact C-N 3.3Å; S3072-H3074 PolarHBondContact O-N 3.44Å; S3072-E3075 CarbonylContact O-C 3.46Å; S3072-E3075 PolarHBondContact O-N 2.99Å; S3072-E3076 VanDerWaalsContact C-OE1 3.28Å; S3072-E3076 WeakPolarHBondContact CB-OE1 2.95Å; S3072-E3076 WeakPolarHBondContact O-CA 3.41Å; S3072-E3076 WeakPolarHBondContact O-CB 3.33Å; S3072-E3076 VanDerWaalsContact O-CD 3.25Å; S3072-E3076 WeakPolarHBondContact O-CG 3.39Å; S3072-E3076 PolarHBondContact O-N 3.02Å; S3072-E3076 VanDerWaalsContact O-OE1 3.14Å; S3072-E3076 PolarHBondContact OG-OE1 3.42Å
3073I82.7Confident82.5Confident24.6 Ų24.670.6 Ų70.613%0.12635%0.35CS..Hα-helixtrans-69.3-35.6176.5-67.1167.7000111I2770 R2773 L2774 L2777 Q3069 L3070 S3071 E3075 E3076 L3077I2770-I3073 HydrophobicContact CG2-CG2 3.73Å; R2773-I3073 HydrophobicContact CG-CD1 4.09Å; R2773-I3073 VanDerWaalsContact CZ-CD1 3.44Å; R2773-I3073 VanDerWaalsContact CZ-CG1 3.46Å; R2773-I3073 VanDerWaalsContact NE-CD1 3.32Å; L2774-I3073 HydrophobicContact CB-CG2 4.05Å; L2774-I3073 HydrophobicContact CD1-CG2 4.2Å; L2774-I3073 HydrophobicContact CG-CG2 4.44Å; L2777-I3073 HydrophobicContact CD1-CD1 3.13Å; L2777-I3073 HydrophobicContact CD2-CD1 3.73Å; Q3069-I3073 WeakPolarHBondContact O-CB 3.34Å; Q3069-I3073 WeakPolarHBondContact O-CD1 3.44Å; Q3069-I3073 WeakPolarHBondContact O-CG1 3.29Å; Q3069-I3073 PolarHBondContact O-N 3.05Å; L3070-I3073 PolarHBondContact O-N 3.14Å; S3071-I3073 PolarHBondContact O-N 3.05Å; I3073-E3075 VanDerWaalsContact C-N 3.34Å; I3073-E3076 CarbonylContact O-C 3.58Å; I3073-E3076 WeakPolarHBondContact O-CB 3.22Å; I3073-E3076 PolarHBondContact O-N 3Å; I3073-L3077 WeakPolarHBondContact O-CA 3.43Å; I3073-L3077 WeakPolarHBondContact O-CB 3.39Å; I3073-L3077 PolarHBondContact O-N 3.04Å
3074H82.5Confident83.2Confident80.4 Ų80.467.9 Ų67.937%0.37234%0.341SS..Hα-helixtrans-66.8-40.9174.4-136.174.2000111.3K2778 L3070 S3071 S3072 E3076 L3077 E3078 K3282K2778-H3074 VanDerWaalsContact CE-CE1 3.47Å; K2778-H3074 WeakPolarHBondContact CE-CE1 3.43Å; K2778-H3074 PolarHBondContact NZ-NE2 2.99Å; L3070-H3074 WeakPolarHBondContact CD2-CE1 3.43Å; L3070-H3074 WeakPolarHBondContact CD2-ND1 3.44Å; L3070-H3074 WeakPolarHBondContact O-CA 3.36Å; L3070-H3074 WeakPolarHBondContact O-CB 3.22Å; L3070-H3074 PolarHBondContact O-N 3.24Å; L3070-H3074 VanDerWaalsContact O-N 3.13Å; L3070-H3074 PolarHBondContact O-ND1 3.12Å; S3071-H3074 WeakPolarHBondContact O-CB 3.28Å; S3071-H3074 PolarHBondContact O-N 2.87Å; S3072-H3074 VanDerWaalsContact C-N 3.3Å; S3072-H3074 PolarHBondContact O-N 3.44Å; H3074-E3076 VanDerWaalsContact C-N 3.32Å; H3074-E3076 PolarHBondContact O-N 3.2Å; H3074-L3077 CarbonylContact O-C 3.57Å; H3074-L3077 WeakPolarHBondContact O-CB 3.33Å; H3074-L3077 PolarHBondContact O-N 3.11Å; H3074-L3077 VanDerWaalsContact O-N 3.17Å; H3074-E3078 IonicContact CD2-OE1 3.3Å; H3074-E3078 IonicContact CD2-OE2 2.77Å; H3074-E3078 PolarHBondContact CD2-OE2 3.4Å; H3074-E3078 IonicContact CE1-OE1 2.85Å; H3074-E3078 WeakPolarHBondContact NE2-CG 3.45Å; H3074-E3078 IonicContact NE2-OE1 2.84Å; H3074-E3078 PolarHBondContact NE2-OE1 3.26Å; H3074-E3078 IonicContact NE2-OE2 3.64Å; H3074-E3078 PolarHBondContact NE2-OE2 2.67Å; H3074-E3078 VanDerWaalsContact O-CB 3.29Å; H3074-E3078 WeakPolarHBondContact O-CB 3.18Å; H3074-E3078 WeakPolarHBondContact O-CG 3.33Å; H3074-E3078 PolarHBondContact O-N 3.01Å; H3074-E3078 VanDerWaalsContact O-N 3.14Å; H3074-K3282 WeakPolarHBondContact NE2-CE 3.41Å; H3074-K3282 PolarHBondContact NE2-NZ 3.18Å
3075E83.1Confident83.9Confident118.4 Ų118.464.4 Ų64.455%0.55332%0.322SS*.Hα-helixtrans-65.7-38.8173.7-175176.9-17300111.6S3071 S3072 I3073 L3077 E3078 N3079S3071-E3075 WeakPolarHBondContact O-CA 2.92Å; S3071-E3075 WeakPolarHBondContact O-CB 3.33Å; S3071-E3075 PolarHBondContact O-N 3.11Å; S3071-E3075 VanDerWaalsContact O-N 3.09Å; S3072-E3075 CarbonylContact O-C 3.46Å; S3072-E3075 PolarHBondContact O-N 2.99Å; I3073-E3075 VanDerWaalsContact C-N 3.34Å; E3075-L3077 VanDerWaalsContact C-N 3.32Å; E3075-L3077 PolarHBondContact O-N 2.88Å; E3075-E3078 PolarHBondContact O-N 3.08Å; E3075-N3079 VanDerWaalsContact CG-ND2 3.27Å; E3075-N3079 WeakPolarHBondContact CG-ND2 3.45Å; E3075-N3079 WeakPolarHBondContact O-CA 3.03Å; E3075-N3079 VanDerWaalsContact O-CB 3.22Å; E3075-N3079 WeakPolarHBondContact O-CB 3.39Å; E3075-N3079 PolarHBondContact O-N 3.19Å; E3075-N3079 PolarHBondContact O-ND2 3.11Å; E3075-N3079 VanDerWaalsContact O-ND2 3.08Å
3076E82.5Confident84.6Confident76.8 Ų76.858.8 Ų58.836%0.35930%0.301SS..Hα-helixtrans-62-38172.3-154.4176.8-178.700111.6I2770 R2773 S3072 I3073 H3074 N3079 L3080I2770-E3076 HydrophobicContact CD1-CG 3.97Å; R2773-E3076 IonicContact CZ-OE2 3.04Å; R2773-E3076 IonicContact NH1-OE2 3.13Å; R2773-E3076 PolarHBondContact NH1-OE2 2.97Å; R2773-E3076 IonicContact NH2-OE1 3.24Å; R2773-E3076 IonicContact NH2-OE2 3.62Å; R2773-E3076 PolarHBondContact NH2-OE2 2.9Å; S3072-E3076 VanDerWaalsContact C-OE1 3.28Å; S3072-E3076 WeakPolarHBondContact CB-OE1 2.95Å; S3072-E3076 WeakPolarHBondContact O-CA 3.41Å; S3072-E3076 WeakPolarHBondContact O-CB 3.33Å; S3072-E3076 VanDerWaalsContact O-CD 3.25Å; S3072-E3076 WeakPolarHBondContact O-CG 3.39Å; S3072-E3076 PolarHBondContact O-N 3.02Å; S3072-E3076 VanDerWaalsContact O-OE1 3.14Å; S3072-E3076 PolarHBondContact OG-OE1 3.42Å; I3073-E3076 CarbonylContact O-C 3.58Å; I3073-E3076 WeakPolarHBondContact O-CB 3.22Å; I3073-E3076 PolarHBondContact O-N 3Å; H3074-E3076 VanDerWaalsContact C-N 3.32Å; H3074-E3076 PolarHBondContact O-N 3.2Å; E3076-N3079 CarbonylContact O-C 3.59Å; E3076-N3079 PolarHBondContact O-N 3.08Å; E3076-L3080 WeakPolarHBondContact O-CA 3.21Å; E3076-L3080 WeakPolarHBondContact O-CB 3.31Å; E3076-L3080 PolarHBondContact O-N 3.27Å
3077L83.9Confident85.1Confident60.6 Ų60.655.7 Ų55.732%0.31729%0.289SS..Hα-helixtrans-73.1-37.5178.2-168.5118000112.4I2770 R2771 L2774 I3073 H3074 E3075 N3079 L3080 P3081I2770-L3077 HydrophobicContact CB-CD1 4.3Å; I2770-L3077 HydrophobicContact CG2-CB 4.05Å; I2770-L3077 HydrophobicContact CG2-CD1 3.94Å; I2770-L3077 HydrophobicContact CG2-CG 4.4Å; R2771-L3077 HydrophobicContact CG-CD1 4.01Å; L2774-L3077 HydrophobicContact CD1-CD2 4.45Å; I3073-L3077 WeakPolarHBondContact O-CA 3.43Å; I3073-L3077 WeakPolarHBondContact O-CB 3.39Å; I3073-L3077 PolarHBondContact O-N 3.04Å; H3074-L3077 CarbonylContact O-C 3.57Å; H3074-L3077 WeakPolarHBondContact O-CB 3.33Å; H3074-L3077 PolarHBondContact O-N 3.11Å; H3074-L3077 VanDerWaalsContact O-N 3.17Å; E3075-L3077 VanDerWaalsContact C-N 3.32Å; E3075-L3077 PolarHBondContact O-N 2.88Å; L3077-N3079 VanDerWaalsContact C-N 3.33Å; L3077-L3080 VanDerWaalsContact C-N 3.33Å; L3077-L3080 HydrophobicContact CD1-CD2 4.39Å; L3077-L3080 WeakPolarHBondContact O-CB 3.36Å; L3077-L3080 PolarHBondContact O-N 3.41Å; L3077-P3081 WeakPolarHBondContact O-CD 3.34Å
3078E84Confident85.7Confident122.2 Ų122.253.6 Ų53.657%0.57128%0.278SS*.Hα-helixtrans-68.7-36.4172.8-88.3-174.9167.700112H3074 E3075 L3080 P3081 K3282H3074-E3078 IonicContact CD2-OE1 3.3Å; H3074-E3078 IonicContact CD2-OE2 2.77Å; H3074-E3078 PolarHBondContact CD2-OE2 3.4Å; H3074-E3078 IonicContact CE1-OE1 2.85Å; H3074-E3078 WeakPolarHBondContact NE2-CG 3.45Å; H3074-E3078 IonicContact NE2-OE1 2.84Å; H3074-E3078 PolarHBondContact NE2-OE1 3.26Å; H3074-E3078 IonicContact NE2-OE2 3.64Å; H3074-E3078 PolarHBondContact NE2-OE2 2.67Å; H3074-E3078 VanDerWaalsContact O-CB 3.29Å; H3074-E3078 WeakPolarHBondContact O-CB 3.18Å; H3074-E3078 WeakPolarHBondContact O-CG 3.33Å; H3074-E3078 PolarHBondContact O-N 3.01Å; H3074-E3078 VanDerWaalsContact O-N 3.14Å; E3075-E3078 PolarHBondContact O-N 3.08Å; E3078-L3080 VanDerWaalsContact C-N 3.33Å; E3078-P3081 WeakPolarHBondContact O-CD 3.4Å; E3078-K3282 WeakPolarHBondContact OE1-CE 3.1Å; E3078-K3282 IonicContact OE1-NZ 3.74Å; E3078-K3282 PolarHBondContact OE1-NZ 3.26Å; E3078-K3282 IonicContact OE2-NZ 3.03Å; E3078-K3282 PolarHBondContact OE2-NZ 2.81Å
3079N85.8Confident85.9Confident34.6 Ų34.648.3 Ų48.319%0.18525%0.25CC..Hα-helixtrans-81.2-15.7175.2-71.1-43.3000113.1E3075 E3076 L3077 P3081 R3082 L3083 T3115E3075-N3079 VanDerWaalsContact CG-ND2 3.27Å; E3075-N3079 WeakPolarHBondContact CG-ND2 3.45Å; E3075-N3079 WeakPolarHBondContact O-CA 3.03Å; E3075-N3079 VanDerWaalsContact O-CB 3.22Å; E3075-N3079 WeakPolarHBondContact O-CB 3.39Å; E3075-N3079 PolarHBondContact O-N 3.19Å; E3075-N3079 PolarHBondContact O-ND2 3.11Å; E3075-N3079 VanDerWaalsContact O-ND2 3.08Å; E3076-N3079 CarbonylContact O-C 3.59Å; E3076-N3079 PolarHBondContact O-N 3.08Å; L3077-N3079 VanDerWaalsContact C-N 3.33Å; N3079-P3081 VanDerWaalsContact C-CD 3.43Å; N3079-P3081 VanDerWaalsContact O-N 3.16Å; N3079-R3082 HydrophobicContact CB-CB 4.46Å; N3079-R3082 CarbonylContact O-C 3.52Å; N3079-R3082 VanDerWaalsContact O-CA 3.23Å; N3079-R3082 WeakPolarHBondContact O-CA 3.34Å; N3079-R3082 VanDerWaalsContact O-CB 3.27Å; N3079-R3082 WeakPolarHBondContact O-CB 3.32Å; N3079-R3082 PolarHBondContact O-N 3.21Å; N3079-R3082 WeakPolarHBondContact OD1-CD 3.33Å; N3079-R3082 PolarHBondContact OD1-NE 3.43Å; N3079-R3082 PolarHBondContact OD1-NH1 2.79Å; N3079-R3082 PolarHBondContact OD1-NH2 3.24Å; N3079-L3083 HydrophobicContact CB-CD1 4.11Å; N3079-L3083 HydrophobicContact CB-CD2 4.28Å; N3079-L3083 HydrophobicContact CB-CG 4.25Å; N3079-L3083 VanDerWaalsContact O-CG 3.27Å; N3079-L3083 WeakPolarHBondContact O-CG 3.39Å; N3079-L3083 PolarHBondContact O-N 3.22Å; N3079-L3083 VanDerWaalsContact O-N 3.13Å; N3079-T3115 HydrophobicContact CB-CG2 4.19Å; N3079-T3115 WeakPolarHBondContact OD1-CG2 3.43Å
3080L88.4Confident86.4Confident20.2 Ų20.245.2 Ų45.211%0.10624%0.235CC..Hα-helixtrans-52.2-44.9-174.3176.964.8000113.5K2766 I2770 E3076 L3077 E3078 R3082 L3083 A3084 F3123K2766-L3080 HydrophobicContact CB-CD1 3.55Å; K2766-L3080 HydrophobicContact CB-CD2 4.12Å; K2766-L3080 HydrophobicContact CB-CG 4.44Å; K2766-L3080 HydrophobicContact CG-CD1 4.27Å; I2770-L3080 HydrophobicContact CD1-CD1 4.29Å; I2770-L3080 HydrophobicContact CD1-CD2 4.26Å; E3076-L3080 WeakPolarHBondContact O-CA 3.21Å; E3076-L3080 WeakPolarHBondContact O-CB 3.31Å; E3076-L3080 PolarHBondContact O-N 3.27Å; L3077-L3080 VanDerWaalsContact C-N 3.33Å; L3077-L3080 HydrophobicContact CD1-CD2 4.39Å; L3077-L3080 WeakPolarHBondContact O-CB 3.36Å; L3077-L3080 PolarHBondContact O-N 3.41Å; E3078-L3080 VanDerWaalsContact C-N 3.33Å; L3080-R3082 VanDerWaalsContact C-N 3.28Å; L3080-R3082 PolarHBondContact O-N 2.94Å; L3080-L3083 PolarHBondContact O-N 3.28Å; L3080-A3084 HydrophobicContact CD1-CB 4.29Å; L3080-A3084 WeakPolarHBondContact O-CA 3.27Å; L3080-A3084 VanDerWaalsContact O-CB 3.25Å; L3080-A3084 WeakPolarHBondContact O-CB 3.34Å; L3080-A3084 PolarHBondContact O-N 3.06Å; L3080-F3123 HydrophobicContact CD1-CE2 3.91Å; L3080-F3123 HydrophobicContact CD1-CZ 3.95Å
3081P87.7Confident86.7Confident52.8 Ų52.843.5 Ų43.534%0.34323%0.226SC..Hα-helixtrans-57.1-39.5176.6-27.436.6000113.3F2731 Q2763 L3077 E3078 N3079 L3085F2731-P3081 HydrophobicContact CD2-CB 4.16Å; F2731-P3081 HydrophobicContact CE1-CB 4.46Å; F2731-P3081 HydrophobicContact CE2-CB 3.77Å; F2731-P3081 VanDerWaalsContact CE2-O 3.26Å; F2731-P3081 WeakPolarHBondContact CE2-O 3.26Å; F2731-P3081 HydrophobicContact CZ-CB 3.95Å; F2731-P3081 VanDerWaalsContact CZ-O 3.26Å; F2731-P3081 WeakPolarHBondContact CZ-O 3.33Å; Q2763-P3081 VanDerWaalsContact NE2-CA 3.33Å; L3077-P3081 WeakPolarHBondContact O-CD 3.34Å; E3078-P3081 WeakPolarHBondContact O-CD 3.4Å; N3079-P3081 VanDerWaalsContact C-CD 3.43Å; N3079-P3081 VanDerWaalsContact O-N 3.16Å; P3081-L3085 WeakPolarHBondContact O-CB 3.39Å; P3081-L3085 PolarHBondContact O-N 3.12Å; P3081-L3085 VanDerWaalsContact O-N 3.16Å
3082R87.3Confident86.7Confident93.6 Ų93.643 Ų4335%0.35322%0.217SC..Hα-helixtrans-72.8-39.8179-64.3-177.9-115.2-170.1-2.9112.3N3079 L3080 L3085 L3086 I3113 T3115N3079-R3082 HydrophobicContact CB-CB 4.46Å; N3079-R3082 CarbonylContact O-C 3.52Å; N3079-R3082 VanDerWaalsContact O-CA 3.23Å; N3079-R3082 WeakPolarHBondContact O-CA 3.34Å; N3079-R3082 VanDerWaalsContact O-CB 3.27Å; N3079-R3082 WeakPolarHBondContact O-CB 3.32Å; N3079-R3082 PolarHBondContact O-N 3.21Å; N3079-R3082 WeakPolarHBondContact OD1-CD 3.33Å; N3079-R3082 PolarHBondContact OD1-NE 3.43Å; N3079-R3082 PolarHBondContact OD1-NH1 2.79Å; N3079-R3082 PolarHBondContact OD1-NH2 3.24Å; L3080-R3082 VanDerWaalsContact C-N 3.28Å; L3080-R3082 PolarHBondContact O-N 2.94Å; R3082-L3085 WeakPolarHBondContact O-CB 3.41Å; R3082-L3085 PolarHBondContact O-N 2.99Å; R3082-L3086 WeakPolarHBondContact O-CB 3.34Å; R3082-L3086 VanDerWaalsContact O-CG 3.26Å; R3082-L3086 WeakPolarHBondContact O-CG 3.13Å; R3082-L3086 PolarHBondContact O-N 3.27Å; R3082-L3086 VanDerWaalsContact O-N 3.13Å; R3082-I3113 HydrophobicContact CB-CG2 3.73Å; R3082-I3113 VanDerWaalsContact CD-O 3.26Å; R3082-I3113 WeakPolarHBondContact CD-O 3.26Å; R3082-I3113 HydrophobicContact CG-CG2 3.86Å; R3082-T3115 HydrophobicContact CB-CG2 3.92Å; R3082-T3115 HydrophobicContact CG-CG2 4.33Å
3083L89.7Confident86.8Confident29.4 Ų29.441.5 Ų41.515%0.15420%0.203CC..Hα-helixtrans-70.3-40.5177.2-58174.7000111.1N3079 L3080 L3085 L3086 A3087 T3115 F3118 F3123N3079-L3083 HydrophobicContact CB-CD1 4.11Å; N3079-L3083 HydrophobicContact CB-CD2 4.28Å; N3079-L3083 HydrophobicContact CB-CG 4.25Å; N3079-L3083 VanDerWaalsContact O-CG 3.27Å; N3079-L3083 WeakPolarHBondContact O-CG 3.39Å; N3079-L3083 PolarHBondContact O-N 3.22Å; N3079-L3083 VanDerWaalsContact O-N 3.13Å; L3080-L3083 PolarHBondContact O-N 3.28Å; L3083-L3085 VanDerWaalsContact C-N 3.32Å; L3083-L3085 PolarHBondContact O-N 3.29Å; L3083-L3086 PolarHBondContact O-N 3.13Å; L3083-A3087 VanDerWaalsContact O-CB 3.24Å; L3083-A3087 WeakPolarHBondContact O-CB 3.31Å; L3083-A3087 PolarHBondContact O-N 3.07Å; L3083-T3115 HydrophobicContact CD2-CG2 4.06Å; L3083-T3115 HydrophobicContact CG-CG2 4.33Å; L3083-F3118 HydrophobicContact CB-CD2 4.32Å; L3083-F3118 HydrophobicContact CB-CE2 4.31Å; L3083-F3118 HydrophobicContact CD2-CB 4.25Å; L3083-F3118 HydrophobicContact CD2-CD2 3.69Å; L3083-F3118 HydrophobicContact CD2-CE2 4.43Å; L3083-F3118 HydrophobicContact CD2-CG 4.3Å; L3083-F3118 HydrophobicContact CG-CD2 4.22Å; L3083-F3118 WeakPolarHBondContact O-CE2 3.4Å; L3083-F3123 HydrophobicContact CB-CD2 4.09Å; L3083-F3123 HydrophobicContact CB-CE2 3.73Å; L3083-F3123 HydrophobicContact CB-CZ 4.31Å; L3083-F3123 HydrophobicContact CD1-CD2 4.34Å; L3083-F3123 HydrophobicContact CD1-CE2 4.37Å
3084A90.6Very high86.9Confident7.6 Ų7.640.6 Ų40.66%0.06320%0.198CC..Hα-helixtrans-64-38173.300000111.9I2759 F2762 Q2763 L3080 A3087 A3088 F3123I2759-A3084 HydrophobicContact CG2-CB 4.48Å; F2762-A3084 HydrophobicContact CB-CB 3.92Å; Q2763-A3084 HydrophobicContact CG-CB 3.65Å; L3080-A3084 HydrophobicContact CD1-CB 4.29Å; L3080-A3084 WeakPolarHBondContact O-CA 3.27Å; L3080-A3084 VanDerWaalsContact O-CB 3.25Å; L3080-A3084 WeakPolarHBondContact O-CB 3.34Å; L3080-A3084 PolarHBondContact O-N 3.06Å; A3084-A3087 PolarHBondContact O-N 3.15Å; A3084-A3088 VanDerWaalsContact O-CB 3.26Å; A3084-A3088 WeakPolarHBondContact O-CB 3.33Å; A3084-A3088 PolarHBondContact O-N 3.3Å; A3084-F3123 HydrophobicContact CB-CE1 4.43Å; A3084-F3123 HydrophobicContact CB-CZ 4.3Å
3085L90.5Very high86.9Confident18 Ų1838.5 Ų38.59%0.09419%0.189CC..Hα-helixtrans-60.2-48.3172.3179.567.1000111.5F2731 T2734 A2735 V2738 F2755 I2759 P3081 R3082 L3083 A3087 A3088 M3089 I3113F2731-L3085 HydrophobicContact CE2-CB 4.21Å; F2731-L3085 HydrophobicContact CE2-CD2 4.22Å; F2731-L3085 HydrophobicContact CZ-CB 4.15Å; T2734-L3085 HydrophobicContact CG2-CD2 3.98Å; A2735-L3085 HydrophobicContact CB-CD1 3.82Å; V2738-L3085 HydrophobicContact CG2-CD2 4.13Å; F2755-L3085 HydrophobicContact CE1-CD1 4.17Å; F2755-L3085 HydrophobicContact CE2-CD1 4.24Å; F2755-L3085 HydrophobicContact CZ-CD1 3.45Å; F2755-L3085 VanDerWaalsContact CZ-CD1 3.45Å; I2759-L3085 HydrophobicContact CD1-CD1 3.47Å; I2759-L3085 VanDerWaalsContact CD1-CD1 3.47Å; I2759-L3085 HydrophobicContact CG1-CD1 4.28Å; P3081-L3085 WeakPolarHBondContact O-CB 3.39Å; P3081-L3085 PolarHBondContact O-N 3.12Å; P3081-L3085 VanDerWaalsContact O-N 3.16Å; R3082-L3085 WeakPolarHBondContact O-CB 3.41Å; R3082-L3085 PolarHBondContact O-N 2.99Å; L3083-L3085 VanDerWaalsContact C-N 3.32Å; L3083-L3085 PolarHBondContact O-N 3.29Å; L3085-A3087 VanDerWaalsContact C-N 3.33Å; L3085-A3087 PolarHBondContact O-N 3.14Å; L3085-A3088 PolarHBondContact O-N 3.14Å; L3085-M3089 HydrophobicContact CD1-CG 4.03Å; L3085-M3089 HydrophobicContact CD1-SD 4.13Å; L3085-M3089 HydrophobicContact CG-CG 4.32Å; L3085-M3089 HydrophobicContact CG-SD 3.99Å; L3085-M3089 VanDerWaalsContact O-CB 3.27Å; L3085-M3089 WeakPolarHBondContact O-CB 3.27Å; L3085-M3089 WeakPolarHBondContact O-CG 3.19Å; L3085-M3089 PolarHBondContact O-N 3.16Å; L3085-I3113 HydrophobicContact CD2-CD1 4.04Å; L3085-I3113 HydrophobicContact CD2-CG1 4.27Å; L3085-I3113 HydrophobicContact CD2-CG2 4.47Å; L3085-I3113 HydrophobicContact CG-CD1 4.39Å
3086L89.9Confident86.8Confident0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-62.6-42.5176.2-77.7175.7000112.2R3082 L3083 M3089 F3090 M3106 L3109 Q3110 I3113 T3115 F3118R3082-L3086 WeakPolarHBondContact O-CB 3.34Å; R3082-L3086 VanDerWaalsContact O-CG 3.26Å; R3082-L3086 WeakPolarHBondContact O-CG 3.13Å; R3082-L3086 PolarHBondContact O-N 3.27Å; R3082-L3086 VanDerWaalsContact O-N 3.13Å; L3083-L3086 PolarHBondContact O-N 3.13Å; L3086-M3089 PolarHBondContact O-N 3.17Å; L3086-F3090 WeakPolarHBondContact O-CB 3.41Å; L3086-F3090 PolarHBondContact O-N 3.04Å; L3086-M3106 HydrophobicContact CB-CE 4.11Å; L3086-M3106 HydrophobicContact CD2-CE 3.88Å; L3086-M3106 HydrophobicContact CD2-SD 4.17Å; L3086-M3106 HydrophobicContact CG-CE 4.42Å; L3086-L3109 HydrophobicContact CD2-CB 3.77Å; L3086-L3109 HydrophobicContact CD2-CD1 4.43Å; L3086-Q3110 HydrophobicContact CD1-CG 4.19Å; L3086-I3113 HydrophobicContact CD1-CD1 4.39Å; L3086-I3113 HydrophobicContact CD2-CD1 3.6Å; L3086-I3113 VanDerWaalsContact CD2-CD1 3.45Å; L3086-I3113 HydrophobicContact CG-CD1 3.92Å; L3086-T3115 WeakPolarHBondContact CD1-OG1 3.28Å; L3086-F3118 HydrophobicContact CB-CD1 3.97Å; L3086-F3118 HydrophobicContact CB-CD2 4.11Å; L3086-F3118 HydrophobicContact CB-CE1 3.8Å; L3086-F3118 HydrophobicContact CB-CE2 4.02Å; L3086-F3118 HydrophobicContact CB-CG 4.26Å; L3086-F3118 HydrophobicContact CB-CZ 3.99Å; L3086-F3118 HydrophobicContact CD1-CB 3.91Å; L3086-F3118 HydrophobicContact CD1-CD1 3.98Å; L3086-F3118 HydrophobicContact CD1-CD2 4.11Å; L3086-F3118 HydrophobicContact CD1-CE1 4.47Å; L3086-F3118 HydrophobicContact CD1-CG 3.84Å; L3086-F3118 HydrophobicContact CG-CD1 4.45Å
3087A91.1Very high86.9Confident0.6 Ų0.639.5 Ų39.51%0.00519%0.192CC..Hα-helixtrans-65.2-44.2177.800000112.1F2762 L3083 A3084 L3085 M3089 F3090 L3091 F3118 F3120 F3123 M3124F2762-A3087 HydrophobicContact CD2-CB 3.88Å; F2762-A3087 HydrophobicContact CE2-CB 3.86Å; L3083-A3087 VanDerWaalsContact O-CB 3.24Å; L3083-A3087 WeakPolarHBondContact O-CB 3.31Å; L3083-A3087 PolarHBondContact O-N 3.07Å; A3084-A3087 PolarHBondContact O-N 3.15Å; L3085-A3087 VanDerWaalsContact C-N 3.33Å; L3085-A3087 PolarHBondContact O-N 3.14Å; A3087-M3089 VanDerWaalsContact C-N 3.32Å; A3087-M3089 PolarHBondContact O-N 3.26Å; A3087-F3090 WeakPolarHBondContact O-CB 3.36Å; A3087-F3090 PolarHBondContact O-N 3.3Å; A3087-L3091 VanDerWaalsContact O-CB 3.25Å; A3087-L3091 WeakPolarHBondContact O-CB 3.4Å; A3087-L3091 WeakPolarHBondContact O-CD1 3.36Å; A3087-L3091 VanDerWaalsContact O-CG 3.27Å; A3087-L3091 WeakPolarHBondContact O-CG 3.26Å; A3087-L3091 PolarHBondContact O-N 3.21Å; A3087-F3118 HydrophobicContact CB-CE2 4.33Å; A3087-F3118 HydrophobicContact CB-CZ 4.02Å; A3087-F3120 HydrophobicContact CB-CD2 4.38Å; A3087-F3120 HydrophobicContact CB-CE2 4.35Å; A3087-F3123 HydrophobicContact CB-CD1 3.53Å; A3087-F3123 VanDerWaalsContact CB-CD1 3.46Å; A3087-F3123 HydrophobicContact CB-CE1 3.47Å; A3087-F3123 VanDerWaalsContact CB-CE1 3.43Å; A3087-F3123 HydrophobicContact CB-CG 4.45Å; A3087-F3123 HydrophobicContact CB-CZ 4.42Å; A3087-M3124 HydrophobicContact CB-SD 4.25Å
3088A90.8Very high86.7Confident10 Ų1039.9 Ų39.98%0.08320%0.198CC..Hα-helixtrans-64.4-39.9176.100000111.7F2755 Q2758 I2759 F2762 A3084 L3085 F3090 L3091 H3092F2755-A3088 HydrophobicContact CD2-CB 3.85Å; F2755-A3088 HydrophobicContact CE2-CB 3.77Å; Q2758-A3088 HydrophobicContact CB-CB 3.99Å; Q2758-A3088 HydrophobicContact CG-CB 3.86Å; I2759-A3088 HydrophobicContact CB-CB 4.4Å; I2759-A3088 HydrophobicContact CG1-CB 3.49Å; I2759-A3088 VanDerWaalsContact CG1-CB 3.48Å; F2762-A3088 HydrophobicContact CD2-CB 4.23Å; F2762-A3088 HydrophobicContact CE2-CB 4.35Å; A3084-A3088 VanDerWaalsContact O-CB 3.26Å; A3084-A3088 WeakPolarHBondContact O-CB 3.33Å; A3084-A3088 PolarHBondContact O-N 3.3Å; L3085-A3088 PolarHBondContact O-N 3.14Å; A3088-F3090 VanDerWaalsContact C-N 3.29Å; A3088-F3090 PolarHBondContact O-N 3.27Å; A3088-L3091 PolarHBondContact O-N 3.09Å; A3088-H3092 VanDerWaalsContact O-CB 3.28Å; A3088-H3092 WeakPolarHBondContact O-CB 3.28Å; A3088-H3092 PolarHBondContact O-N 2.89Å; A3088-H3092 PolarHBondContact O-ND1 3.19Å
3089M87.9Confident86.6Confident9.2 Ų9.237.9 Ų37.95%0.04519%0.188CC..Hα-helixtrans-64.5-43.3175.7-139.4-829.300110.9V2738 V2742 F2755 L3085 L3086 A3087 L3091 H3092 F3093 M3094 M3106 L3109 I3113V2738-M3089 HydrophobicContact CG1-CB 4.38Å; V2738-M3089 HydrophobicContact CG1-CE 3.84Å; V2738-M3089 HydrophobicContact CG1-CG 3.91Å; V2738-M3089 HydrophobicContact CG1-SD 3.88Å; V2742-M3089 HydrophobicContact CB-CE 3.86Å; V2742-M3089 HydrophobicContact CB-SD 4.08Å; V2742-M3089 HydrophobicContact CG1-CE 3.58Å; V2742-M3089 HydrophobicContact CG1-SD 3.81Å; V2742-M3089 HydrophobicContact CG2-CE 3.84Å; V2742-M3089 HydrophobicContact CG2-CG 4.11Å; V2742-M3089 HydrophobicContact CG2-SD 3.73Å; F2755-M3089 HydrophobicContact CD1-SD 4.48Å; F2755-M3089 HydrophobicContact CD2-CE 4.34Å; F2755-M3089 HydrophobicContact CD2-SD 3.85Å; F2755-M3089 HydrophobicContact CE1-CE 4.11Å; F2755-M3089 HydrophobicContact CE1-SD 3.88Å; F2755-M3089 HydrophobicContact CE2-CB 4Å; F2755-M3089 HydrophobicContact CE2-CE 3.62Å; F2755-M3089 HydrophobicContact CE2-CG 3.46Å; F2755-M3089 VanDerWaalsContact CE2-CG 3.46Å; F2755-M3089 HydrophobicContact CE2-SD 3.18Å; F2755-M3089 WeakPolarHBondContact CE2-SD 3.34Å; F2755-M3089 HydrophobicContact CG-SD 4.43Å; F2755-M3089 HydrophobicContact CZ-CB 4.35Å; F2755-M3089 HydrophobicContact CZ-CE 3.43Å; F2755-M3089 VanDerWaalsContact CZ-CE 3.43Å; F2755-M3089 HydrophobicContact CZ-CG 3.57Å; F2755-M3089 HydrophobicContact CZ-SD 3.14Å; F2755-M3089 WeakPolarHBondContact CZ-SD 3.15Å; L3085-M3089 HydrophobicContact CD1-CG 4.03Å; L3085-M3089 HydrophobicContact CD1-SD 4.13Å; L3085-M3089 HydrophobicContact CG-CG 4.32Å; L3085-M3089 HydrophobicContact CG-SD 3.99Å; L3085-M3089 VanDerWaalsContact O-CB 3.27Å; L3085-M3089 WeakPolarHBondContact O-CB 3.27Å; L3085-M3089 WeakPolarHBondContact O-CG 3.19Å; L3085-M3089 PolarHBondContact O-N 3.16Å; L3086-M3089 PolarHBondContact O-N 3.17Å; A3087-M3089 VanDerWaalsContact C-N 3.32Å; A3087-M3089 PolarHBondContact O-N 3.26Å; M3089-L3091 VanDerWaalsContact C-N 3.3Å; M3089-L3091 PolarHBondContact O-N 3.4Å; M3089-H3092 PolarHBondContact O-N 3.31Å; M3089-F3093 HydrophobicContact CB-CD2 4.12Å; M3089-F3093 HydrophobicContact CE-CB 4.48Å; M3089-F3093 HydrophobicContact CE-CD2 3.91Å; M3089-F3093 HydrophobicContact CE-CE2 4.27Å; M3089-F3093 HydrophobicContact CE-CG 4.27Å; M3089-F3093 HydrophobicContact CG-CD2 4.19Å; M3089-F3093 HydrophobicContact CG-CE2 4.29Å; M3089-F3093 WeakPolarHBondContact O-CA 3.39Å; M3089-F3093 WeakPolarHBondContact O-CB 3.41Å; M3089-F3093 PolarHBondContact O-N 3.04Å; M3089-F3093 VanDerWaalsContact O-N 3.11Å; M3089-F3093 HydrophobicContact SD-CB 4.16Å; M3089-F3093 HydrophobicContact SD-CD2 3.42Å; M3089-F3093 WeakPolarHBondContact SD-CD2 3.27Å; M3089-F3093 HydrophobicContact SD-CE2 4.02Å; M3089-F3093 HydrophobicContact SD-CG 3.94Å; M3089-M3094 HydrophobicContact CE-CG 3.84Å; M3089-M3094 PolarHBondContact O-N 3.11Å; M3089-M3094 HydrophobicContact SD-CG 3.65Å; M3089-M3094 HydrophobicContact SD-SD 3.97Å; M3089-M3106 HydrophobicContact CE-SD 3.23Å; M3089-M3106 WeakPolarHBondContact CE-SD 3.23Å; M3089-L3109 HydrophobicContact CE-CD1 3.49Å; M3089-L3109 HydrophobicContact CE-CD2 3.77Å; M3089-L3109 HydrophobicContact CE-CG 4.43Å; M3089-L3109 HydrophobicContact CG-CD1 3.88Å; M3089-L3109 HydrophobicContact SD-CD1 4.15Å; M3089-I3113 HydrophobicContact SD-CD1 4.33Å
3090F88.9Confident86.5Confident7.2 Ų7.240 Ų403%0.03221%0.206CC..Iπ-helixtrans-58.7-51.7175.3-168.1-84.7000110.6L3086 A3087 A3088 H3092 M3094 I3095 R3102 M3106 F3120 E3146L3086-F3090 WeakPolarHBondContact O-CB 3.41Å; L3086-F3090 PolarHBondContact O-N 3.04Å; A3087-F3090 WeakPolarHBondContact O-CB 3.36Å; A3087-F3090 PolarHBondContact O-N 3.3Å; A3088-F3090 VanDerWaalsContact C-N 3.29Å; A3088-F3090 PolarHBondContact O-N 3.27Å; F3090-H3092 VanDerWaalsContact C-N 3.33Å; F3090-H3092 PolarHBondContact O-N 3.04Å; F3090-M3094 HydrophobicContact CB-CB 4.43Å; F3090-M3094 HydrophobicContact CD2-CB 4Å; F3090-M3094 HydrophobicContact CD2-CG 4.3Å; F3090-M3094 HydrophobicContact CE2-CB 4.27Å; F3090-M3094 HydrophobicContact CG-CB 4.2Å; F3090-M3094 CarbonylContact O-C 3.55Å; F3090-M3094 WeakPolarHBondContact O-CA 3.32Å; F3090-M3094 VanDerWaalsContact O-CB 3.31Å; F3090-M3094 WeakPolarHBondContact O-CB 3.33Å; F3090-M3094 PolarHBondContact O-N 3.12Å; F3090-I3095 HydrophobicContact CD1-CD1 3.99Å; F3090-I3095 HydrophobicContact CD1-CG1 4.2Å; F3090-I3095 HydrophobicContact CE1-CD1 4.12Å; F3090-I3095 HydrophobicContact CE1-CG1 4.1Å; F3090-I3095 WeakPolarHBondContact O-CG1 3.43Å; F3090-I3095 PolarHBondContact O-N 3.25Å; F3090-R3102 HydrophobicContact CD2-CG 4.3Å; F3090-R3102 HydrophobicContact CE2-CB 4.2Å; F3090-R3102 HydrophobicContact CE2-CG 4.17Å; F3090-R3102 HydrophobicContact CZ-CB 4.48Å; F3090-R3102 VanDerWaalsContact CZ-CD 3.49Å; F3090-R3102 HydrophobicContact CZ-CG 4.16Å; F3090-M3106 HydrophobicContact CB-CE 4.27Å; F3090-M3106 HydrophobicContact CB-SD 4.29Å; F3090-M3106 HydrophobicContact CD2-CE 4.03Å; F3090-M3106 VanDerWaalsContact CD2-CE 3.47Å; F3090-M3106 HydrophobicContact CD2-CG 3.8Å; F3090-M3106 HydrophobicContact CD2-SD 3.83Å; F3090-M3106 HydrophobicContact CE2-CE 4.37Å; F3090-M3106 HydrophobicContact CE2-CG 4.2Å; F3090-M3106 HydrophobicContact CG-CE 4.16Å; F3090-M3106 HydrophobicContact CG-SD 4.48Å; F3090-F3120 HydrophobicContact CB-CD2 3.81Å; F3090-F3120 HydrophobicContact CB-CE2 3.96Å; F3090-F3120 HydrophobicContact CB-CG 4.45Å; F3090-F3120 HydrophobicContact CD1-CB 4.39Å; F3090-F3120 AromaticContact CD1-CD1 3.67Å; F3090-F3120 HydrophobicContact CD1-CD1 3.75Å; F3090-F3120 AromaticContact CD1-CD2 3.56Å; F3090-F3120 HydrophobicContact CD1-CD2 3.56Å; F3090-F3120 VanDerWaalsContact CD1-CD2 3.44Å; F3090-F3120 AromaticContact CD1-CE1 3.72Å; F3090-F3120 HydrophobicContact CD1-CE1 3.72Å; F3090-F3120 AromaticContact CD1-CE2 3.52Å; F3090-F3120 HydrophobicContact CD1-CE2 3.52Å; F3090-F3120 VanDerWaalsContact CD1-CE2 3.42Å; F3090-F3120 AromaticContact CD1-CG 3.66Å; F3090-F3120 HydrophobicContact CD1-CG 3.66Å; F3090-F3120 AromaticContact CD1-CZ 3.6Å; F3090-F3120 HydrophobicContact CD1-CZ 3.6Å; F3090-F3120 HydrophobicContact CD2-CB 4.29Å; F3090-F3120 HydrophobicContact CD2-CD2 4.45Å; F3090-F3120 HydrophobicContact CD2-CG 4.37Å; F3090-F3120 HydrophobicContact CE1-CB 4.38Å; F3090-F3120 AromaticContact CE1-CD1 3.61Å; F3090-F3120 HydrophobicContact CE1-CD1 3.61Å; F3090-F3120 VanDerWaalsContact CE1-CD1 3.47Å; F3090-F3120 HydrophobicContact CE1-CD2 4.26Å; F3090-F3120 AromaticContact CE1-CE1 3.72Å; F3090-F3120 HydrophobicContact CE1-CE1 3.72Å; F3090-F3120 HydrophobicContact CE1-CE2 4.3Å; F3090-F3120 AromaticContact CE1-CG 3.83Å; F3090-F3120 HydrophobicContact CE1-CG 3.9Å; F3090-F3120 AromaticContact CE1-CZ 3.9Å; F3090-F3120 HydrophobicContact CE1-CZ 4.08Å; F3090-F3120 HydrophobicContact CE2-CB 4.33Å; F3090-F3120 HydrophobicContact CE2-CG 4.42Å; F3090-F3120 HydrophobicContact CG-CB 4.34Å; F3090-F3120 HydrophobicContact CG-CD1 4.45Å; F3090-F3120 AromaticContact CG-CD2 3.72Å; F3090-F3120 HydrophobicContact CG-CD2 3.72Å; F3090-F3120 AromaticContact CG-CE2 3.9Å; F3090-F3120 HydrophobicContact CG-CE2 4.01Å; F3090-F3120 AromaticContact CG-CG 3.9Å; F3090-F3120 HydrophobicContact CG-CG 3.99Å; F3090-F3120 HydrophobicContact CG-CZ 4.46Å; F3090-F3120 HydrophobicContact CZ-CB 4.21Å; F3090-F3120 HydrophobicContact CZ-CD1 4.26Å; F3090-F3120 HydrophobicContact CZ-CG 4.35Å; F3090-E3146 HydrophobicContact CE1-CB 4.24Å; F3090-E3146 HydrophobicContact CE1-CG 4.23Å; F3090-E3146 HydrophobicContact CZ-CB 4.25Å; F3090-E3146 VanDerWaalsContact CZ-CD 3.48Å; F3090-E3146 HydrophobicContact CZ-CG 4.11Å; F3090-E3146 WeakPolarHBondContact CZ-OE1 3.39Å
3091L88Confident86.3Confident21.4 Ų21.440.6 Ų40.611%0.11221%0.21CC..Iπ-helixtrans-62-43.7-177.5-132.5152.2000113.2Q2758 F2762 A3087 A3088 M3089 I3095 F3120 M3124 A3150 N3153Q2758-L3091 HydrophobicContact CG-CD2 4.3Å; F2762-L3091 HydrophobicContact CE2-CD1 4.48Å; F2762-L3091 HydrophobicContact CZ-CD1 3.84Å; A3087-L3091 VanDerWaalsContact O-CB 3.25Å; A3087-L3091 WeakPolarHBondContact O-CB 3.4Å; A3087-L3091 WeakPolarHBondContact O-CD1 3.36Å; A3087-L3091 VanDerWaalsContact O-CG 3.27Å; A3087-L3091 WeakPolarHBondContact O-CG 3.26Å; A3087-L3091 PolarHBondContact O-N 3.21Å; A3088-L3091 PolarHBondContact O-N 3.09Å; M3089-L3091 VanDerWaalsContact C-N 3.3Å; M3089-L3091 PolarHBondContact O-N 3.4Å; L3091-I3095 VanDerWaalsContact C-CD1 3.4Å; L3091-I3095 HydrophobicContact CB-CD1 4.42Å; L3091-I3095 HydrophobicContact CD2-CD1 4.02Å; L3091-I3095 HydrophobicContact CG-CD1 4.23Å; L3091-I3095 WeakPolarHBondContact O-CD1 3.33Å; L3091-I3095 WeakPolarHBondContact O-CG1 3.35Å; L3091-F3120 HydrophobicContact CD1-CE2 3.87Å; L3091-F3120 HydrophobicContact CD1-CZ 4.14Å; L3091-F3120 HydrophobicContact CD2-CE2 4.44Å; L3091-F3120 HydrophobicContact CD2-CZ 3.89Å; L3091-F3120 HydrophobicContact CG-CE2 3.96Å; L3091-F3120 HydrophobicContact CG-CZ 3.91Å; L3091-M3124 HydrophobicContact CD1-CE 4.27Å; L3091-M3124 HydrophobicContact CD1-SD 4.38Å; L3091-A3150 HydrophobicContact CD1-CB 4.37Å; L3091-A3150 HydrophobicContact CD2-CB 3.53Å; L3091-A3150 VanDerWaalsContact CD2-CB 3.42Å; L3091-A3150 HydrophobicContact CG-CB 4.2Å; L3091-N3153 HydrophobicContact CD1-CB 4.17Å
3092H83.2Confident86.3Confident53.4 Ų53.438.8 Ų38.825%0.24720%0.197CC..Iπ-helixtrans-84.1-33.3-174.2-106.669.7000113.8K2751 A2754 Q2758 A3088 M3089 F3090 Q3156K2751-H3092 PolarHBondContact O-NE2 2.97Å; A2754-H3092 VanDerWaalsContact CB-CE1 3.49Å; A2754-H3092 WeakPolarHBondContact CB-CE1 3.3Å; A2754-H3092 PolarHBondContact O-NE2 3.26Å; Q2758-H3092 WeakPolarHBondContact CB-CE1 3.23Å; Q2758-H3092 VanDerWaalsContact CG-CE1 3.44Å; Q2758-H3092 WeakPolarHBondContact CG-CE1 3.37Å; Q2758-H3092 PolarHBondContact OE1-CE1 3.42Å; Q2758-H3092 VanDerWaalsContact OE1-CE1 3.31Å; A3088-H3092 VanDerWaalsContact O-CB 3.28Å; A3088-H3092 WeakPolarHBondContact O-CB 3.28Å; A3088-H3092 PolarHBondContact O-N 2.89Å; A3088-H3092 PolarHBondContact O-ND1 3.19Å; M3089-H3092 PolarHBondContact O-N 3.31Å; F3090-H3092 VanDerWaalsContact C-N 3.33Å; F3090-H3092 PolarHBondContact O-N 3.04Å; H3092-Q3156 PolarHBondContact CE1-OE1 2.89Å; H3092-Q3156 VanDerWaalsContact CE1-OE1 3.26Å
3093F84.1Confident86.2Confident31 Ų3139.1 Ų39.114%0.13620%0.201CC..Iπ-helixtrans-120.2-29.6-169.1-57.1-71.2000114.5Y2739 V2742 V2743 K2751 F2755 M3089 K3096 Q3097Y2739-F3093 HydrophobicContact CD2-CE1 4.23Å; Y2739-F3093 AromaticContact CD2-CE2 3.94Å; Y2739-F3093 HydrophobicContact CD2-CE2 3.97Å; Y2739-F3093 AromaticContact CD2-CZ 3.67Å; Y2739-F3093 HydrophobicContact CD2-CZ 3.67Å; Y2739-F3093 VanDerWaalsContact CD2-CZ 3.44Å; Y2739-F3093 AromaticContact CE2-CE1 3.89Å; Y2739-F3093 HydrophobicContact CE2-CE1 4.03Å; Y2739-F3093 HydrophobicContact CE2-CE2 4.21Å; Y2739-F3093 AromaticContact CE2-CZ 3.44Å; Y2739-F3093 HydrophobicContact CE2-CZ 3.44Å; Y2739-F3093 VanDerWaalsContact CE2-CZ 3.44Å; V2742-F3093 HydrophobicContact CG1-CB 3.88Å; V2742-F3093 HydrophobicContact CG1-CG 4.34Å; V2743-F3093 HydrophobicContact CG2-CD1 3.67Å; V2743-F3093 HydrophobicContact CG2-CE1 3.52Å; V2743-F3093 HydrophobicContact CG2-CE2 4.42Å; V2743-F3093 HydrophobicContact CG2-CG 4.29Å; V2743-F3093 HydrophobicContact CG2-CZ 4.04Å; K2751-F3093 HydrophobicContact CB-CE1 4.23Å; K2751-F3093 HydrophobicContact CB-CZ 4.43Å; F2755-F3093 HydrophobicContact CB-CE2 3.98Å; F2755-F3093 HydrophobicContact CB-CZ 4.21Å; F2755-F3093 HydrophobicContact CD1-CE2 4.42Å; F2755-F3093 AromaticContact CD2-CE2 3.93Å; F2755-F3093 HydrophobicContact CD2-CE2 3.96Å; F2755-F3093 HydrophobicContact CE2-CE2 4.44Å; F2755-F3093 AromaticContact CG-CE2 3.89Å; F2755-F3093 HydrophobicContact CG-CE2 3.96Å; F2755-F3093 HydrophobicContact CG-CZ 4.36Å; M3089-F3093 HydrophobicContact CB-CD2 4.12Å; M3089-F3093 HydrophobicContact CE-CB 4.48Å; M3089-F3093 HydrophobicContact CE-CD2 3.91Å; M3089-F3093 HydrophobicContact CE-CE2 4.27Å; M3089-F3093 HydrophobicContact CE-CG 4.27Å; M3089-F3093 HydrophobicContact CG-CD2 4.19Å; M3089-F3093 HydrophobicContact CG-CE2 4.29Å; M3089-F3093 WeakPolarHBondContact O-CA 3.39Å; M3089-F3093 WeakPolarHBondContact O-CB 3.41Å; M3089-F3093 PolarHBondContact O-N 3.04Å; M3089-F3093 VanDerWaalsContact O-N 3.11Å; M3089-F3093 HydrophobicContact SD-CB 4.16Å; M3089-F3093 HydrophobicContact SD-CD2 3.42Å; M3089-F3093 WeakPolarHBondContact SD-CD2 3.27Å; M3089-F3093 HydrophobicContact SD-CE2 4.02Å; M3089-F3093 HydrophobicContact SD-CG 3.94Å; F3093-K3096 WeakPolarHBondContact O-CE 3.13Å; F3093-K3096 VanDerWaalsContact O-CG 3.3Å; F3093-K3096 WeakPolarHBondContact O-CG 3.3Å; F3093-Q3097 WeakPolarHBondContact O-CG 3.39Å
3094M84.8Confident86Confident4.4 Ų4.445.7 Ų45.72%0.02222%0.224CC..Iπ-helixtrans-92.9-25.1-171.8-55.1-51.1-59.200113.7V2742 M3089 F3090 K3096 Q3097 T3101 R3102 V3105 M3106V2742-M3094 HydrophobicContact CG1-SD 4.16Å; M3089-M3094 HydrophobicContact CE-CG 3.84Å; M3089-M3094 PolarHBondContact O-N 3.11Å; M3089-M3094 HydrophobicContact SD-CG 3.65Å; M3089-M3094 HydrophobicContact SD-SD 3.97Å; F3090-M3094 HydrophobicContact CB-CB 4.43Å; F3090-M3094 HydrophobicContact CD2-CB 4Å; F3090-M3094 HydrophobicContact CD2-CG 4.3Å; F3090-M3094 HydrophobicContact CE2-CB 4.27Å; F3090-M3094 HydrophobicContact CG-CB 4.2Å; F3090-M3094 CarbonylContact O-C 3.55Å; F3090-M3094 WeakPolarHBondContact O-CA 3.32Å; F3090-M3094 VanDerWaalsContact O-CB 3.31Å; F3090-M3094 WeakPolarHBondContact O-CB 3.33Å; F3090-M3094 PolarHBondContact O-N 3.12Å; M3094-K3096 VanDerWaalsContact C-N 3.28Å; M3094-K3096 PolarHBondContact O-N 3.19Å; M3094-Q3097 HydrophobicContact CE-CB 4.24Å; M3094-Q3097 HydrophobicContact CE-CG 4.17Å; M3094-Q3097 WeakPolarHBondContact O-CA 3.42Å; M3094-Q3097 VanDerWaalsContact O-CB 3.3Å; M3094-Q3097 WeakPolarHBondContact O-CB 3.38Å; M3094-Q3097 PolarHBondContact O-N 3.26Å; M3094-Q3097 HydrophobicContact SD-CG 4.27Å; M3094-T3101 HydrophobicContact CE-CG2 4.37Å; M3094-T3101 WeakPolarHBondContact CE-O 3.46Å; M3094-R3102 HydrophobicContact CB-CB 4.47Å; M3094-R3102 HydrophobicContact CB-CG 4.21Å; M3094-R3102 VanDerWaalsContact CE-CA 3.47Å; M3094-R3102 HydrophobicContact CE-CB 4.37Å; M3094-R3102 HydrophobicContact CE-CG 4.47Å; M3094-R3102 WeakPolarHBondContact O-CD 3.42Å; M3094-R3102 VanDerWaalsContact O-CG 3.29Å; M3094-R3102 WeakPolarHBondContact O-CG 3.38Å; M3094-R3102 PolarHBondContact O-NE 2.94Å; M3094-R3102 VanDerWaalsContact O-NE 3.12Å; M3094-V3105 HydrophobicContact CE-CB 3.54Å; M3094-V3105 VanDerWaalsContact CE-CB 3.44Å; M3094-V3105 HydrophobicContact CE-CG1 3.88Å; M3094-V3105 HydrophobicContact CE-CG2 3.92Å; M3094-V3105 HydrophobicContact SD-CB 4.21Å; M3094-V3105 HydrophobicContact SD-CG1 3.85Å; M3094-M3106 HydrophobicContact CG-SD 4.1Å
3095I82.7Confident85.8Confident37.8 Ų37.847.2 Ų47.219%0.19423%0.232CC..THydrogen-bonded Turntrans-59.5-36.3179.4-72.3156.4000112.5F3090 L3091 Q3097 R3102 F3120 N3147 A3150 I3226F3090-I3095 HydrophobicContact CD1-CD1 3.99Å; F3090-I3095 HydrophobicContact CD1-CG1 4.2Å; F3090-I3095 HydrophobicContact CE1-CD1 4.12Å; F3090-I3095 HydrophobicContact CE1-CG1 4.1Å; F3090-I3095 WeakPolarHBondContact O-CG1 3.43Å; F3090-I3095 PolarHBondContact O-N 3.25Å; L3091-I3095 VanDerWaalsContact C-CD1 3.4Å; L3091-I3095 HydrophobicContact CB-CD1 4.42Å; L3091-I3095 HydrophobicContact CD2-CD1 4.02Å; L3091-I3095 HydrophobicContact CG-CD1 4.23Å; L3091-I3095 WeakPolarHBondContact O-CD1 3.33Å; L3091-I3095 WeakPolarHBondContact O-CG1 3.35Å; I3095-Q3097 VanDerWaalsContact C-N 3.3Å; I3095-Q3097 PolarHBondContact O-N 3.19Å; I3095-R3102 PolarHBondContact O-NH2 3.13Å; I3095-F3120 HydrophobicContact CD1-CZ 4.42Å; I3095-N3147 WeakPolarHBondContact CG2-OD1 3.48Å; I3095-A3150 HydrophobicContact CD1-CB 3.2Å; I3095-A3150 HydrophobicContact CG1-CB 4.02Å; I3095-A3150 HydrophobicContact CG2-CB 4.28Å; I3095-I3226 HydrophobicContact CB-CG2 4.39Å; I3095-I3226 HydrophobicContact CG2-CD1 4.46Å; I3095-I3226 HydrophobicContact CG2-CG2 3.38Å
3096K80.8Confident85.7Confident144 Ų14447 Ų4763%0.62623%0.23SC*.THydrogen-bonded Turntrans-73.9-10.9176.279.3174.4-176.6177.50113.9F3093 M3094F3093-K3096 WeakPolarHBondContact O-CE 3.13Å; F3093-K3096 VanDerWaalsContact O-CG 3.3Å; F3093-K3096 WeakPolarHBondContact O-CG 3.3Å; M3094-K3096 VanDerWaalsContact C-N 3.28Å; M3094-K3096 PolarHBondContact O-N 3.19Å
3097Q84.2Confident85.5Confident72.2 Ų72.254.6 Ų54.634%0.33726%0.263SS..SBendtrans-92.3151.2-175.6-61.6-63.4-2200111.4F3093 M3094 I3095 T3101 R3102F3093-Q3097 WeakPolarHBondContact O-CG 3.39Å; M3094-Q3097 HydrophobicContact CE-CB 4.24Å; M3094-Q3097 HydrophobicContact CE-CG 4.17Å; M3094-Q3097 WeakPolarHBondContact O-CA 3.42Å; M3094-Q3097 VanDerWaalsContact O-CB 3.3Å; M3094-Q3097 WeakPolarHBondContact O-CB 3.38Å; M3094-Q3097 PolarHBondContact O-N 3.26Å; M3094-Q3097 HydrophobicContact SD-CG 4.27Å; I3095-Q3097 VanDerWaalsContact C-N 3.3Å; I3095-Q3097 PolarHBondContact O-N 3.19Å; Q3097-T3101 HydrophobicContact CB-CG2 4.06Å; Q3097-T3101 HydrophobicContact CG-CG2 4.25Å; Q3097-R3102 HydrophobicContact CB-CG 4.41Å; Q3097-R3102 PolarHBondContact O-NE 3.27Å
3098P81.2Confident85.2Confident68.8 Ų68.858 Ų5845%0.44729%0.287SS..  trans-59.3149.4170.9-12.720.8000111.8S3100 T3101 R3102P3098-S3100 VanDerWaalsContact C-N 3.28Å; P3098-S3100 PolarHBondContact O-N 3.03Å; P3098-S3100 VanDerWaalsContact O-N 3.15Å; P3098-T3101 CarbonylContact O-C 3.47Å; P3098-T3101 WeakPolarHBondContact O-CA 3.41Å; P3098-T3101 WeakPolarHBondContact O-CB 3.34Å; P3098-T3101 PolarHBondContact O-N 3.31Å; P3098-R3102 WeakPolarHBondContact O-CG 3.39Å; P3098-R3102 PolarHBondContact O-N 2.99Å
3099E81.1Confident85Confident79 Ų7957.9 Ų57.937%0.36929%0.285SS..Hα-helixtrans-52.4-40.6-177.2-169.9-164.4148.100113.4T3101 R3102 K3103 T3143 S3231E3099-T3101 VanDerWaalsContact C-N 3.29Å; E3099-T3101 PolarHBondContact O-N 3.11Å; E3099-T3101 VanDerWaalsContact O-N 3.1Å; E3099-R3102 WeakPolarHBondContact O-CB 3.37Å; E3099-R3102 PolarHBondContact O-N 3.22Å; E3099-R3102 VanDerWaalsContact O-N 3.15Å; E3099-K3103 HydrophobicContact CG-CD 4.27Å; E3099-K3103 HydrophobicContact CG-CG 4.39Å; E3099-K3103 PolarHBondContact O-N 3.27Å; E3099-K3103 WeakPolarHBondContact OE1-CD 3.4Å; E3099-K3103 VanDerWaalsContact OE1-CE 3.3Å; E3099-K3103 WeakPolarHBondContact OE1-CE 3.4Å; E3099-K3103 IonicContact OE1-NZ 3.27Å; E3099-K3103 PolarHBondContact OE1-NZ 3.29Å; E3099-T3143 HydrophobicContact CB-CG2 4.06Å; E3099-T3143 HydrophobicContact CG-CG2 3.85Å; E3099-S3231 WeakPolarHBondContact OE2-CB 3.41Å; E3099-S3231 PolarHBondContact OE2-OG 3.04Å
3100S83Confident84.8Confident79.4 Ų79.459.1 Ų59.156%0.55529%0.291SS*.Hα-helixtrans-62.4-34.5177.660.50000112.9P3098 R3104P3098-S3100 VanDerWaalsContact C-N 3.28Å; P3098-S3100 PolarHBondContact O-N 3.03Å; P3098-S3100 VanDerWaalsContact O-N 3.15Å; S3100-R3104 VanDerWaalsContact O-CB 3.22Å; S3100-R3104 WeakPolarHBondContact O-CB 3.38Å; S3100-R3104 PolarHBondContact O-N 3.27Å; S3100-R3104 VanDerWaalsContact O-N 3.12Å; S3100-R3104 PolarHBondContact O-NE 2.69Å
3101T85.2Confident84.5Confident32.4 Ų32.461.5 Ų61.520%0.19932%0.318CS..Hα-helixtrans-76.8-40.3174.1-58.70000110.5M3094 Q3097 P3098 E3099 K3103 R3104 V3105M3094-T3101 HydrophobicContact CE-CG2 4.37Å; M3094-T3101 WeakPolarHBondContact CE-O 3.46Å; Q3097-T3101 HydrophobicContact CB-CG2 4.06Å; Q3097-T3101 HydrophobicContact CG-CG2 4.25Å; P3098-T3101 CarbonylContact O-C 3.47Å; P3098-T3101 WeakPolarHBondContact O-CA 3.41Å; P3098-T3101 WeakPolarHBondContact O-CB 3.34Å; P3098-T3101 PolarHBondContact O-N 3.31Å; E3099-T3101 VanDerWaalsContact C-N 3.29Å; E3099-T3101 PolarHBondContact O-N 3.11Å; E3099-T3101 VanDerWaalsContact O-N 3.1Å; T3101-K3103 PolarHBondContact O-N 3.07Å; T3101-R3104 PolarHBondContact O-N 3.14Å; T3101-R3104 PolarHBondContact OG1-NH2 3.44Å; T3101-V3105 HydrophobicContact CG2-CG2 4.07Å; T3101-V3105 VanDerWaalsContact O-CB 3.32Å; T3101-V3105 WeakPolarHBondContact O-CB 3.39Å; T3101-V3105 VanDerWaalsContact O-CG2 3.3Å; T3101-V3105 WeakPolarHBondContact O-CG2 3.41Å; T3101-V3105 PolarHBondContact O-N 3.21Å
3102R86.9Confident84.2Confident14.4 Ų14.464.2 Ų64.25%0.05434%0.335CS..Hα-helixtrans-52.8-57.3172.5-74.5-178.8176.8177.7-0.5111.2F3090 M3094 I3095 Q3097 P3098 E3099 R3104 V3105 M3106 E3146 N3147F3090-R3102 HydrophobicContact CD2-CG 4.3Å; F3090-R3102 HydrophobicContact CE2-CB 4.2Å; F3090-R3102 HydrophobicContact CE2-CG 4.17Å; F3090-R3102 HydrophobicContact CZ-CB 4.48Å; F3090-R3102 VanDerWaalsContact CZ-CD 3.49Å; F3090-R3102 HydrophobicContact CZ-CG 4.16Å; M3094-R3102 HydrophobicContact CB-CB 4.47Å; M3094-R3102 HydrophobicContact CB-CG 4.21Å; M3094-R3102 VanDerWaalsContact CE-CA 3.47Å; M3094-R3102 HydrophobicContact CE-CB 4.37Å; M3094-R3102 HydrophobicContact CE-CG 4.47Å; M3094-R3102 WeakPolarHBondContact O-CD 3.42Å; M3094-R3102 VanDerWaalsContact O-CG 3.29Å; M3094-R3102 WeakPolarHBondContact O-CG 3.38Å; M3094-R3102 PolarHBondContact O-NE 2.94Å; M3094-R3102 VanDerWaalsContact O-NE 3.12Å; I3095-R3102 PolarHBondContact O-NH2 3.13Å; Q3097-R3102 HydrophobicContact CB-CG 4.41Å; Q3097-R3102 PolarHBondContact O-NE 3.27Å; P3098-R3102 WeakPolarHBondContact O-CG 3.39Å; P3098-R3102 PolarHBondContact O-N 2.99Å; E3099-R3102 WeakPolarHBondContact O-CB 3.37Å; E3099-R3102 PolarHBondContact O-N 3.22Å; E3099-R3102 VanDerWaalsContact O-N 3.15Å; R3102-R3104 VanDerWaalsContact C-N 3.29Å; R3102-R3104 PolarHBondContact O-N 3.37Å; R3102-V3105 PolarHBondContact O-N 3.36Å; R3102-M3106 HydrophobicContact CG-CG 4.47Å; R3102-M3106 WeakPolarHBondContact O-CB 3.26Å; R3102-M3106 WeakPolarHBondContact O-CG 3.39Å; R3102-M3106 PolarHBondContact O-N 2.98Å; R3102-E3146 WeakPolarHBondContact CD-OE2 3.2Å; R3102-E3146 IonicContact CZ-OE2 3.28Å; R3102-E3146 IonicContact NE-OE2 3.75Å; R3102-E3146 IonicContact NH1-OE2 3.26Å; R3102-E3146 PolarHBondContact NH1-OE2 3.3Å; R3102-E3146 IonicContact NH2-OE2 2.74Å; R3102-E3146 PolarHBondContact NH2-OE2 3.08Å; R3102-N3147 PolarHBondContact NH1-OD1 3.15Å; R3102-N3147 PolarHBondContact NH2-OD1 3.25Å
3103K84.9Confident84Confident101.8 Ų101.862.4 Ų62.444%0.44333%0.327SS..Hα-helixtrans-62.7-38.7-179-70.8179.1173.4172.70112.7E3099 T3101 K3107 E3142E3099-K3103 HydrophobicContact CG-CD 4.27Å; E3099-K3103 HydrophobicContact CG-CG 4.39Å; E3099-K3103 PolarHBondContact O-N 3.27Å; E3099-K3103 WeakPolarHBondContact OE1-CD 3.4Å; E3099-K3103 VanDerWaalsContact OE1-CE 3.3Å; E3099-K3103 WeakPolarHBondContact OE1-CE 3.4Å; E3099-K3103 IonicContact OE1-NZ 3.27Å; E3099-K3103 PolarHBondContact OE1-NZ 3.29Å; T3101-K3103 PolarHBondContact O-N 3.07Å; K3103-K3107 VanDerWaalsContact O-CB 3.29Å; K3103-K3107 WeakPolarHBondContact O-CB 3.38Å; K3103-K3107 WeakPolarHBondContact O-CG 3.39Å; K3103-K3107 PolarHBondContact O-N 3.17Å; K3103-K3107 VanDerWaalsContact O-N 3.1Å; K3103-E3142 WeakPolarHBondContact CE-OE2 3.44Å; K3103-E3142 IonicContact NZ-OE2 2.79Å; K3103-E3142 PolarHBondContact NZ-OE2 3.12Å
3104R87Confident83.7Confident167.4 Ų167.465.5 Ų65.563%0.63235%0.352SS*.Hα-helixtrans-67.8-49.9179-174.4-172.4-7.61792.9112.6S3100 T3101 R3102 K3107 S3108S3100-R3104 VanDerWaalsContact O-CB 3.22Å; S3100-R3104 WeakPolarHBondContact O-CB 3.38Å; S3100-R3104 PolarHBondContact O-N 3.27Å; S3100-R3104 VanDerWaalsContact O-N 3.12Å; S3100-R3104 PolarHBondContact O-NE 2.69Å; T3101-R3104 PolarHBondContact O-N 3.14Å; T3101-R3104 PolarHBondContact OG1-NH2 3.44Å; R3102-R3104 VanDerWaalsContact C-N 3.29Å; R3102-R3104 PolarHBondContact O-N 3.37Å; R3104-K3107 PolarHBondContact O-N 3.26Å; R3104-S3108 PolarHBondContact O-N 3.1Å; R3104-S3108 VanDerWaalsContact O-N 3.08Å
3105V85.8Confident83.2Confident38.2 Ų38.265.7 Ų65.723%0.23235%0.354CS..Hα-helixtrans-68.5-41.5-179.1173.70000110.3V2742 M3094 T3101 R3102 K3107 S3108 L3109V2742-V3105 HydrophobicContact CG2-CG1 4.07Å; M3094-V3105 HydrophobicContact CE-CB 3.54Å; M3094-V3105 VanDerWaalsContact CE-CB 3.44Å; M3094-V3105 HydrophobicContact CE-CG1 3.88Å; M3094-V3105 HydrophobicContact CE-CG2 3.92Å; M3094-V3105 HydrophobicContact SD-CB 4.21Å; M3094-V3105 HydrophobicContact SD-CG1 3.85Å; T3101-V3105 HydrophobicContact CG2-CG2 4.07Å; T3101-V3105 VanDerWaalsContact O-CB 3.32Å; T3101-V3105 WeakPolarHBondContact O-CB 3.39Å; T3101-V3105 VanDerWaalsContact O-CG2 3.3Å; T3101-V3105 WeakPolarHBondContact O-CG2 3.41Å; T3101-V3105 PolarHBondContact O-N 3.21Å; R3102-V3105 PolarHBondContact O-N 3.36Å; V3105-K3107 VanDerWaalsContact C-N 3.31Å; V3105-K3107 PolarHBondContact O-N 3.26Å; V3105-S3108 CarbonylContact O-C 3.53Å; V3105-S3108 WeakPolarHBondContact O-CA 3.35Å; V3105-S3108 WeakPolarHBondContact O-CB 3.37Å; V3105-S3108 PolarHBondContact O-N 3.2Å; V3105-S3108 VanDerWaalsContact O-N 3.09Å; V3105-L3109 HydrophobicContact CG1-CD1 3.93Å; V3105-L3109 HydrophobicContact CG1-CG 4.17Å; V3105-L3109 WeakPolarHBondContact O-CB 3.3Å; V3105-L3109 VanDerWaalsContact O-CG 3.31Å; V3105-L3109 WeakPolarHBondContact O-CG 3.28Å; V3105-L3109 PolarHBondContact O-N 3.19Å
3106M87.5Confident82.7Confident13.6 Ų13.673 Ų737%0.06739%0.387CS..Hα-helixtrans-61.1-41175.9-83.8-40.9-53.400112.3L3086 M3089 F3090 M3094 R3102 S3108 L3109 Q3110 F3118L3086-M3106 HydrophobicContact CB-CE 4.11Å; L3086-M3106 HydrophobicContact CD2-CE 3.88Å; L3086-M3106 HydrophobicContact CD2-SD 4.17Å; L3086-M3106 HydrophobicContact CG-CE 4.42Å; M3089-M3106 HydrophobicContact CE-SD 3.23Å; M3089-M3106 WeakPolarHBondContact CE-SD 3.23Å; F3090-M3106 HydrophobicContact CB-CE 4.27Å; F3090-M3106 HydrophobicContact CB-SD 4.29Å; F3090-M3106 HydrophobicContact CD2-CE 4.03Å; F3090-M3106 VanDerWaalsContact CD2-CE 3.47Å; F3090-M3106 HydrophobicContact CD2-CG 3.8Å; F3090-M3106 HydrophobicContact CD2-SD 3.83Å; F3090-M3106 HydrophobicContact CE2-CE 4.37Å; F3090-M3106 HydrophobicContact CE2-CG 4.2Å; F3090-M3106 HydrophobicContact CG-CE 4.16Å; F3090-M3106 HydrophobicContact CG-SD 4.48Å; M3094-M3106 HydrophobicContact CG-SD 4.1Å; R3102-M3106 HydrophobicContact CG-CG 4.47Å; R3102-M3106 WeakPolarHBondContact O-CB 3.26Å; R3102-M3106 WeakPolarHBondContact O-CG 3.39Å; R3102-M3106 PolarHBondContact O-N 2.98Å; M3106-S3108 VanDerWaalsContact C-N 3.32Å; M3106-S3108 PolarHBondContact O-N 3.14Å; M3106-L3109 PolarHBondContact O-N 3.05Å; M3106-L3109 HydrophobicContact SD-CD1 4.33Å; M3106-Q3110 HydrophobicContact CG-CG 4.5Å; M3106-Q3110 VanDerWaalsContact O-CB 3.29Å; M3106-Q3110 WeakPolarHBondContact O-CB 3.19Å; M3106-Q3110 VanDerWaalsContact O-CG 3.26Å; M3106-Q3110 WeakPolarHBondContact O-CG 3.25Å; M3106-Q3110 PolarHBondContact O-N 3.09Å; M3106-Q3110 PolarHBondContact O-NE2 3.15Å; M3106-Q3110 VanDerWaalsContact O-NE2 3.16Å; M3106-Q3110 HydrophobicContact SD-CG 4.44Å; M3106-F3118 HydrophobicContact CE-CD1 3.77Å; M3106-F3118 VanDerWaalsContact CE-CD1 3.48Å; M3106-F3118 HydrophobicContact CE-CE1 3.66Å; M3106-F3118 VanDerWaalsContact CE-CE1 3.47Å; M3106-F3118 HydrophobicContact SD-CD1 3.84Å; M3106-F3118 HydrophobicContact SD-CE1 4.2Å
3107K86.2Confident82.4Confident159.4 Ų159.469.5 Ų69.569%0.69339%0.392SS*.Hα-helixtrans-62.8-40.2173-113179.6179.7-176.30112.5K3103 R3104 V3105 G3111K3103-K3107 VanDerWaalsContact O-CB 3.29Å; K3103-K3107 WeakPolarHBondContact O-CB 3.38Å; K3103-K3107 WeakPolarHBondContact O-CG 3.39Å; K3103-K3107 PolarHBondContact O-N 3.17Å; K3103-K3107 VanDerWaalsContact O-N 3.1Å; R3104-K3107 PolarHBondContact O-N 3.26Å; V3105-K3107 VanDerWaalsContact C-N 3.31Å; V3105-K3107 PolarHBondContact O-N 3.26Å; K3107-G3111 PolarHBondContact O-N 3.17Å; K3107-G3111 VanDerWaalsContact O-N 3.15Å
3108S85.5Confident82.4Confident73 Ų7367.1 Ų67.151%0.5138%0.381SS..Hα-helixtrans-63.9-44175.6-168.60000111.9R3104 V3105 M3106 Q3110 G3111 V3112R3104-S3108 PolarHBondContact O-N 3.1Å; R3104-S3108 VanDerWaalsContact O-N 3.08Å; V3105-S3108 CarbonylContact O-C 3.53Å; V3105-S3108 WeakPolarHBondContact O-CA 3.35Å; V3105-S3108 WeakPolarHBondContact O-CB 3.37Å; V3105-S3108 PolarHBondContact O-N 3.2Å; V3105-S3108 VanDerWaalsContact O-N 3.09Å; M3106-S3108 VanDerWaalsContact C-N 3.32Å; M3106-S3108 PolarHBondContact O-N 3.14Å; S3108-Q3110 PolarHBondContact O-N 3.4Å; S3108-G3111 PolarHBondContact O-N 3.3Å; S3108-G3111 VanDerWaalsContact O-N 3.12Å; S3108-V3112 VanDerWaalsContact O-CG2 3.32Å; S3108-V3112 WeakPolarHBondContact O-CG2 3.41Å; S3108-V3112 PolarHBondContact O-N 3.26Å
3109L85.4Confident82.6Confident8.2 Ų8.267 Ų674%0.04338%0.376CS..Hα-helixtrans-69.2-37.8180-70176.6000112.4V2738 V2742 L3086 M3089 V3105 M3106 G3111 V3112 I3113V2738-L3109 HydrophobicContact CG1-CD1 4.23Å; V2738-L3109 HydrophobicContact CG1-CD2 4.04Å; V2738-L3109 HydrophobicContact CG2-CD2 4.41Å; V2742-L3109 HydrophobicContact CG2-CD1 3.83Å; V2742-L3109 HydrophobicContact CG2-CD2 4.2Å; V2742-L3109 HydrophobicContact CG2-CG 4.37Å; L3086-L3109 HydrophobicContact CD2-CB 3.77Å; L3086-L3109 HydrophobicContact CD2-CD1 4.43Å; M3089-L3109 HydrophobicContact CE-CD1 3.49Å; M3089-L3109 HydrophobicContact CE-CD2 3.77Å; M3089-L3109 HydrophobicContact CE-CG 4.43Å; M3089-L3109 HydrophobicContact CG-CD1 3.88Å; M3089-L3109 HydrophobicContact SD-CD1 4.15Å; V3105-L3109 HydrophobicContact CG1-CD1 3.93Å; V3105-L3109 HydrophobicContact CG1-CG 4.17Å; V3105-L3109 WeakPolarHBondContact O-CB 3.3Å; V3105-L3109 VanDerWaalsContact O-CG 3.31Å; V3105-L3109 WeakPolarHBondContact O-CG 3.28Å; V3105-L3109 PolarHBondContact O-N 3.19Å; M3106-L3109 PolarHBondContact O-N 3.05Å; M3106-L3109 HydrophobicContact SD-CD1 4.33Å; L3109-G3111 VanDerWaalsContact C-N 3.27Å; L3109-G3111 PolarHBondContact O-N 3.06Å; L3109-V3112 PolarHBondContact O-N 3.29Å; L3109-V3112 VanDerWaalsContact O-N 3.12Å; L3109-I3113 HydrophobicContact CB-CD1 4.35Å; L3109-I3113 VanDerWaalsContact O-CB 3.25Å; L3109-I3113 WeakPolarHBondContact O-CB 3.34Å; L3109-I3113 WeakPolarHBondContact O-CG1 3.27Å; L3109-I3113 PolarHBondContact O-N 3.01Å
3110Q85.6Confident82.8Confident34 Ų3463.6 Ų63.616%0.15936%0.36CS..Hα-helixtrans-56.9-40.4172.2-78.6174.724.600111.6L3086 M3106 S3108 V3112 I3113 S3114 T3115 F3118L3086-Q3110 HydrophobicContact CD1-CG 4.19Å; M3106-Q3110 HydrophobicContact CG-CG 4.5Å; M3106-Q3110 VanDerWaalsContact O-CB 3.29Å; M3106-Q3110 WeakPolarHBondContact O-CB 3.19Å; M3106-Q3110 VanDerWaalsContact O-CG 3.26Å; M3106-Q3110 WeakPolarHBondContact O-CG 3.25Å; M3106-Q3110 PolarHBondContact O-N 3.09Å; M3106-Q3110 PolarHBondContact O-NE2 3.15Å; M3106-Q3110 VanDerWaalsContact O-NE2 3.16Å; M3106-Q3110 HydrophobicContact SD-CG 4.44Å; S3108-Q3110 PolarHBondContact O-N 3.4Å; Q3110-V3112 VanDerWaalsContact C-N 3.35Å; Q3110-V3112 PolarHBondContact O-N 3.13Å; Q3110-I3113 PolarHBondContact O-N 2.55Å; Q3110-S3114 CarbonylContact O-C 3.6Å; Q3110-S3114 VanDerWaalsContact O-CA 3.24Å; Q3110-S3114 WeakPolarHBondContact O-CA 3.44Å; Q3110-S3114 PolarHBondContact O-N 3Å; Q3110-S3114 VanDerWaalsContact O-N 3.13Å; Q3110-T3115 CarbonylContact C-O 3.49Å; Q3110-T3115 WeakPolarHBondContact CA-O 3.32Å; Q3110-T3115 VanDerWaalsContact CB-O 3.31Å; Q3110-T3115 WeakPolarHBondContact CB-O 3.39Å; Q3110-T3115 VanDerWaalsContact CG-O 3.28Å; Q3110-T3115 WeakPolarHBondContact CG-O 3.38Å; Q3110-T3115 PolarHBondContact O-N 2.89Å; Q3110-T3115 VanDerWaalsContact O-N 3.12Å; Q3110-F3118 HydrophobicContact CG-CB 4.21Å; Q3110-F3118 PolarHBondContact NE2-O 2.96Å; Q3110-F3118 VanDerWaalsContact OE1-N 3.1Å
3111G81.2Confident83Confident57.6 Ų57.661.5 Ų61.559%0.59434%0.343SS*.Hα-helixtrans-66.5-36174.400000113.8K3107 S3108 L3109K3107-G3111 PolarHBondContact O-N 3.17Å; K3107-G3111 VanDerWaalsContact O-N 3.15Å; S3108-G3111 PolarHBondContact O-N 3.3Å; S3108-G3111 VanDerWaalsContact O-N 3.12Å; L3109-G3111 VanDerWaalsContact C-N 3.27Å; L3109-G3111 PolarHBondContact O-N 3.06Å
3112V81Confident82.9Confident78 Ų7869.7 Ų69.747%0.47337%0.37SS..Hα-helixtrans-75.9-40.9179.4174.70000112.1M2737 S3108 L3109 Q3110 S3114M2737-V3112 HydrophobicContact CE-CG1 3.46Å; M2737-V3112 HydrophobicContact SD-CG1 3.98Å; S3108-V3112 VanDerWaalsContact O-CG2 3.32Å; S3108-V3112 WeakPolarHBondContact O-CG2 3.41Å; S3108-V3112 PolarHBondContact O-N 3.26Å; L3109-V3112 PolarHBondContact O-N 3.29Å; L3109-V3112 VanDerWaalsContact O-N 3.12Å; Q3110-V3112 VanDerWaalsContact C-N 3.35Å; Q3110-V3112 PolarHBondContact O-N 3.13Å; V3112-S3114 VanDerWaalsContact C-N 3.28Å; V3112-S3114 PolarHBondContact O-N 3.22Å
3113I80.6Confident82.9Confident15.6 Ų15.670.6 Ų70.68%0.0838%0.375CS..Hα-helixtrans-85-6.3-177-59.8165.5000111.6T2734 V2738 R3082 L3085 L3086 M3089 L3109 Q3110 T3115T2734-I3113 HydrophobicContact CG2-CG1 4.43Å; V2738-I3113 HydrophobicContact CG1-CD1 4.43Å; V2738-I3113 HydrophobicContact CG2-CD1 3.79Å; V2738-I3113 HydrophobicContact CG2-CG1 3.99Å; R3082-I3113 HydrophobicContact CB-CG2 3.73Å; R3082-I3113 VanDerWaalsContact CD-O 3.26Å; R3082-I3113 WeakPolarHBondContact CD-O 3.26Å; R3082-I3113 HydrophobicContact CG-CG2 3.86Å; L3085-I3113 HydrophobicContact CD2-CD1 4.04Å; L3085-I3113 HydrophobicContact CD2-CG1 4.27Å; L3085-I3113 HydrophobicContact CD2-CG2 4.47Å; L3085-I3113 HydrophobicContact CG-CD1 4.39Å; L3086-I3113 HydrophobicContact CD1-CD1 4.39Å; L3086-I3113 HydrophobicContact CD2-CD1 3.6Å; L3086-I3113 VanDerWaalsContact CD2-CD1 3.45Å; L3086-I3113 HydrophobicContact CG-CD1 3.92Å; M3089-I3113 HydrophobicContact SD-CD1 4.33Å; L3109-I3113 HydrophobicContact CB-CD1 4.35Å; L3109-I3113 VanDerWaalsContact O-CB 3.25Å; L3109-I3113 WeakPolarHBondContact O-CB 3.34Å; L3109-I3113 WeakPolarHBondContact O-CG1 3.27Å; L3109-I3113 PolarHBondContact O-N 3.01Å; Q3110-I3113 PolarHBondContact O-N 2.55Å; I3113-T3115 VanDerWaalsContact C-N 3.32Å; I3113-T3115 HydrophobicContact CG2-CG2 4.17Å; I3113-T3115 WeakPolarHBondContact CG2-OG1 3.22Å; I3113-T3115 PolarHBondContact O-N 2.73Å
3114S76.6Confident83Confident96.4 Ų96.466.7 Ų66.767%0.67436%0.358SS*.THydrogen-bonded Turntrans57.944.2-177.9-54.40000112.9Q3110 V3112Q3110-S3114 CarbonylContact O-C 3.6Å; Q3110-S3114 VanDerWaalsContact O-CA 3.24Å; Q3110-S3114 WeakPolarHBondContact O-CA 3.44Å; Q3110-S3114 PolarHBondContact O-N 3Å; Q3110-S3114 VanDerWaalsContact O-N 3.13Å; V3112-S3114 VanDerWaalsContact C-N 3.28Å; V3112-S3114 PolarHBondContact O-N 3.22Å
3115T74.4Confident82.6Confident9.4 Ų9.459.4 Ų59.46%0.05834%0.335CS..  trans-124.898.517637.40000109.4N3079 R3082 L3083 L3086 Q3110 I3113N3079-T3115 HydrophobicContact CB-CG2 4.19Å; N3079-T3115 WeakPolarHBondContact OD1-CG2 3.43Å; R3082-T3115 HydrophobicContact CB-CG2 3.92Å; R3082-T3115 HydrophobicContact CG-CG2 4.33Å; L3083-T3115 HydrophobicContact CD2-CG2 4.06Å; L3083-T3115 HydrophobicContact CG-CG2 4.33Å; L3086-T3115 WeakPolarHBondContact CD1-OG1 3.28Å; Q3110-T3115 CarbonylContact C-O 3.49Å; Q3110-T3115 WeakPolarHBondContact CA-O 3.32Å; Q3110-T3115 VanDerWaalsContact CB-O 3.31Å; Q3110-T3115 WeakPolarHBondContact CB-O 3.39Å; Q3110-T3115 VanDerWaalsContact CG-O 3.28Å; Q3110-T3115 WeakPolarHBondContact CG-O 3.38Å; Q3110-T3115 PolarHBondContact O-N 2.89Å; Q3110-T3115 VanDerWaalsContact O-N 3.12Å; I3113-T3115 VanDerWaalsContact C-N 3.32Å; I3113-T3115 HydrophobicContact CG2-CG2 4.17Å; I3113-T3115 WeakPolarHBondContact CG2-OG1 3.22Å; I3113-T3115 PolarHBondContact O-N 2.73Å
3116E72.8Confident82.3Confident189.4 Ų189.461.4 Ų61.489%0.88535%0.347SS*.  trans-82.3144.2177.1-62.7-167.7167.900111.3F3118E3116-F3118 PolarHBondContact O-N 3.29Å
3117G74.9Confident81.6Confident71.2 Ų71.266.7 Ų66.773%0.73438%0.376SS*.  trans79.714.5171.600000116.3D3119G3117-D3119 PolarHBondContact O-N 3.1Å
3118F83.8Confident81.2Confident22.8 Ų22.862.8 Ų62.810%0.137%0.366CS..  trans-61.9123.2174.7173.8-104.2000111.5L3083 L3086 A3087 M3106 Q3110 E3116 F3120 F3123L3083-F3118 HydrophobicContact CB-CD2 4.32Å; L3083-F3118 HydrophobicContact CB-CE2 4.31Å; L3083-F3118 HydrophobicContact CD2-CB 4.25Å; L3083-F3118 HydrophobicContact CD2-CD2 3.69Å; L3083-F3118 HydrophobicContact CD2-CE2 4.43Å; L3083-F3118 HydrophobicContact CD2-CG 4.3Å; L3083-F3118 HydrophobicContact CG-CD2 4.22Å; L3083-F3118 WeakPolarHBondContact O-CE2 3.4Å; L3086-F3118 HydrophobicContact CB-CD1 3.97Å; L3086-F3118 HydrophobicContact CB-CD2 4.11Å; L3086-F3118 HydrophobicContact CB-CE1 3.8Å; L3086-F3118 HydrophobicContact CB-CE2 4.02Å; L3086-F3118 HydrophobicContact CB-CG 4.26Å; L3086-F3118 HydrophobicContact CB-CZ 3.99Å; L3086-F3118 HydrophobicContact CD1-CB 3.91Å; L3086-F3118 HydrophobicContact CD1-CD1 3.98Å; L3086-F3118 HydrophobicContact CD1-CD2 4.11Å; L3086-F3118 HydrophobicContact CD1-CE1 4.47Å; L3086-F3118 HydrophobicContact CD1-CG 3.84Å; L3086-F3118 HydrophobicContact CG-CD1 4.45Å; A3087-F3118 HydrophobicContact CB-CE2 4.33Å; A3087-F3118 HydrophobicContact CB-CZ 4.02Å; M3106-F3118 HydrophobicContact CE-CD1 3.77Å; M3106-F3118 VanDerWaalsContact CE-CD1 3.48Å; M3106-F3118 HydrophobicContact CE-CE1 3.66Å; M3106-F3118 VanDerWaalsContact CE-CE1 3.47Å; M3106-F3118 HydrophobicContact SD-CD1 3.84Å; M3106-F3118 HydrophobicContact SD-CE1 4.2Å; Q3110-F3118 HydrophobicContact CG-CB 4.21Å; Q3110-F3118 PolarHBondContact NE2-O 2.96Å; Q3110-F3118 VanDerWaalsContact OE1-N 3.1Å; E3116-F3118 PolarHBondContact O-N 3.29Å; F3118-F3120 HydrophobicContact CE1-CB 4.1Å; F3118-F3120 HydrophobicContact CZ-CB 4.3Å; F3118-F3120 HydrophobicContact CZ-CD2 4.33Å; F3118-F3123 HydrophobicContact CD2-CB 4.47Å; F3118-F3123 HydrophobicContact CE2-CB 3.83Å; F3118-F3123 HydrophobicContact CE2-CD1 4.33Å; F3118-F3123 HydrophobicContact CE2-CD2 4.32Å; F3118-F3123 AromaticContact CE2-CG 3.8Å; F3118-F3123 HydrophobicContact CE2-CG 3.9Å; F3118-F3123 HydrophobicContact CZ-CB 4.36Å; F3118-F3123 HydrophobicContact CZ-CD1 4.33Å; F3118-F3123 HydrophobicContact CZ-CG 4.39Å
3119D84.2Confident80.8Confident66 Ų6662.4 Ų62.435%0.35336%0.358SS..  trans-117.3116173.4179.7-4000109.2G3117 L3121 R3122 F3123G3117-D3119 PolarHBondContact O-N 3.1Å; D3119-L3121 VanDerWaalsContact C-N 3.31Å; D3119-L3121 PolarHBondContact O-N 3Å; D3119-L3121 WeakPolarHBondContact OD1-CB 3.46Å; D3119-L3121 PolarHBondContact OD1-N 3.15Å; D3119-L3121 VanDerWaalsContact OD1-N 3.12Å; D3119-R3122 HydrophobicContact CB-CB 4.25Å; D3119-R3122 HydrophobicContact CB-CG 4.32Å; D3119-R3122 PolarHBondContact O-N 3.05Å; D3119-R3122 VanDerWaalsContact OD2-CD 3.25Å; D3119-R3122 WeakPolarHBondContact OD2-CD 3.29Å; D3119-R3122 VanDerWaalsContact OD2-CG 3.27Å; D3119-R3122 WeakPolarHBondContact OD2-CG 3.43Å; D3119-R3122 IonicContact OD2-CZ 2.7Å; D3119-R3122 IonicContact OD2-NE 3.18Å; D3119-R3122 PolarHBondContact OD2-NE 2.83Å; D3119-F3123 WeakPolarHBondContact O-CB 3.37Å; D3119-F3123 PolarHBondContact O-N 3.23Å; D3119-F3123 VanDerWaalsContact O-N 3.09Å
3120F87Confident80.4Confident7.4 Ų7.465.6 Ų65.63%0.03237%0.37CS..Hα-helixtrans-63.1-38.5-177.7177.5-99.5000112.3A3087 F3090 L3091 I3095 F3118 F3123 M3124 E3146 L3149A3087-F3120 HydrophobicContact CB-CD2 4.38Å; A3087-F3120 HydrophobicContact CB-CE2 4.35Å; F3090-F3120 HydrophobicContact CB-CD2 3.81Å; F3090-F3120 HydrophobicContact CB-CE2 3.96Å; F3090-F3120 HydrophobicContact CB-CG 4.45Å; F3090-F3120 HydrophobicContact CD1-CB 4.39Å; F3090-F3120 AromaticContact CD1-CD1 3.67Å; F3090-F3120 HydrophobicContact CD1-CD1 3.75Å; F3090-F3120 AromaticContact CD1-CD2 3.56Å; F3090-F3120 HydrophobicContact CD1-CD2 3.56Å; F3090-F3120 VanDerWaalsContact CD1-CD2 3.44Å; F3090-F3120 AromaticContact CD1-CE1 3.72Å; F3090-F3120 HydrophobicContact CD1-CE1 3.72Å; F3090-F3120 AromaticContact CD1-CE2 3.52Å; F3090-F3120 HydrophobicContact CD1-CE2 3.52Å; F3090-F3120 VanDerWaalsContact CD1-CE2 3.42Å; F3090-F3120 AromaticContact CD1-CG 3.66Å; F3090-F3120 HydrophobicContact CD1-CG 3.66Å; F3090-F3120 AromaticContact CD1-CZ 3.6Å; F3090-F3120 HydrophobicContact CD1-CZ 3.6Å; F3090-F3120 HydrophobicContact CD2-CB 4.29Å; F3090-F3120 HydrophobicContact CD2-CD2 4.45Å; F3090-F3120 HydrophobicContact CD2-CG 4.37Å; F3090-F3120 HydrophobicContact CE1-CB 4.38Å; F3090-F3120 AromaticContact CE1-CD1 3.61Å; F3090-F3120 HydrophobicContact CE1-CD1 3.61Å; F3090-F3120 VanDerWaalsContact CE1-CD1 3.47Å; F3090-F3120 HydrophobicContact CE1-CD2 4.26Å; F3090-F3120 AromaticContact CE1-CE1 3.72Å; F3090-F3120 HydrophobicContact CE1-CE1 3.72Å; F3090-F3120 HydrophobicContact CE1-CE2 4.3Å; F3090-F3120 AromaticContact CE1-CG 3.83Å; F3090-F3120 HydrophobicContact CE1-CG 3.9Å; F3090-F3120 AromaticContact CE1-CZ 3.9Å; F3090-F3120 HydrophobicContact CE1-CZ 4.08Å; F3090-F3120 HydrophobicContact CE2-CB 4.33Å; F3090-F3120 HydrophobicContact CE2-CG 4.42Å; F3090-F3120 HydrophobicContact CG-CB 4.34Å; F3090-F3120 HydrophobicContact CG-CD1 4.45Å; F3090-F3120 AromaticContact CG-CD2 3.72Å; F3090-F3120 HydrophobicContact CG-CD2 3.72Å; F3090-F3120 AromaticContact CG-CE2 3.9Å; F3090-F3120 HydrophobicContact CG-CE2 4.01Å; F3090-F3120 AromaticContact CG-CG 3.9Å; F3090-F3120 HydrophobicContact CG-CG 3.99Å; F3090-F3120 HydrophobicContact CG-CZ 4.46Å; F3090-F3120 HydrophobicContact CZ-CB 4.21Å; F3090-F3120 HydrophobicContact CZ-CD1 4.26Å; F3090-F3120 HydrophobicContact CZ-CG 4.35Å; L3091-F3120 HydrophobicContact CD1-CE2 3.87Å; L3091-F3120 HydrophobicContact CD1-CZ 4.14Å; L3091-F3120 HydrophobicContact CD2-CE2 4.44Å; L3091-F3120 HydrophobicContact CD2-CZ 3.89Å; L3091-F3120 HydrophobicContact CG-CE2 3.96Å; L3091-F3120 HydrophobicContact CG-CZ 3.91Å; I3095-F3120 HydrophobicContact CD1-CZ 4.42Å; F3118-F3120 HydrophobicContact CE1-CB 4.1Å; F3118-F3120 HydrophobicContact CZ-CB 4.3Å; F3118-F3120 HydrophobicContact CZ-CD2 4.33Å; F3120-F3123 PolarHBondContact O-N 3.15Å; F3120-M3124 HydrophobicContact CD1-CG 4.39Å; F3120-M3124 HydrophobicContact CD2-CG 3.87Å; F3120-M3124 HydrophobicContact CE1-CB 4.43Å; F3120-M3124 HydrophobicContact CE1-CG 4.08Å; F3120-M3124 HydrophobicContact CE2-CG 3.44Å; F3120-M3124 VanDerWaalsContact CE2-CG 3.45Å; F3120-M3124 HydrophobicContact CE2-SD 4.26Å; F3120-M3124 HydrophobicContact CG-CG 4.37Å; F3120-M3124 HydrophobicContact CZ-CB 4.37Å; F3120-M3124 HydrophobicContact CZ-CG 3.57Å; F3120-M3124 WeakPolarHBondContact O-CB 3.35Å; F3120-M3124 WeakPolarHBondContact O-CG 3.37Å; F3120-M3124 PolarHBondContact O-N 3.08Å; F3120-E3146 HydrophobicContact CD1-CB 4.45Å; F3120-E3146 HydrophobicContact CD1-CG 4.19Å; F3120-E3146 HydrophobicContact CE1-CB 4.46Å; F3120-E3146 HydrophobicContact CE1-CG 4.43Å; F3120-L3149 HydrophobicContact CE1-CB 4.36Å
3121L85.5Confident80Confident35 Ų3567.6 Ų67.618%0.18338%0.381CS..Hα-helixtrans-65.7-44.5-176.9-68.1179.1000111D3119 F3123 M3124 G3125 E3142 V3145 E3146 L3149D3119-L3121 VanDerWaalsContact C-N 3.31Å; D3119-L3121 PolarHBondContact O-N 3Å; D3119-L3121 WeakPolarHBondContact OD1-CB 3.46Å; D3119-L3121 PolarHBondContact OD1-N 3.15Å; D3119-L3121 VanDerWaalsContact OD1-N 3.12Å; L3121-F3123 VanDerWaalsContact C-N 3.34Å; L3121-M3124 PolarHBondContact O-N 3.21Å; L3121-G3125 WeakPolarHBondContact O-CA 3.37Å; L3121-G3125 PolarHBondContact O-N 3.21Å; L3121-E3142 HydrophobicContact CD1-CB 4.3Å; L3121-E3142 HydrophobicContact CD1-CG 4.29Å; L3121-V3145 HydrophobicContact CD2-CB 4.15Å; L3121-V3145 HydrophobicContact CD2-CG1 3.77Å; L3121-E3146 HydrophobicContact CD2-CB 4.46Å; L3121-E3146 HydrophobicContact CD2-CG 3.75Å; L3121-E3146 HydrophobicContact CG-CG 4.28Å; L3121-L3149 HydrophobicContact CD2-CD1 3.79Å
3122R83.5Confident80.1Confident205.2 Ų205.267.5 Ų67.577%0.77437%0.367SS*.Hα-helixtrans-68.9-32.5177.2-83.3177.2-175.3-169.2-2.2113.2D3119D3119-R3122 HydrophobicContact CB-CB 4.25Å; D3119-R3122 HydrophobicContact CB-CG 4.32Å; D3119-R3122 PolarHBondContact O-N 3.05Å; D3119-R3122 VanDerWaalsContact OD2-CD 3.25Å; D3119-R3122 WeakPolarHBondContact OD2-CD 3.29Å; D3119-R3122 VanDerWaalsContact OD2-CG 3.27Å; D3119-R3122 WeakPolarHBondContact OD2-CG 3.43Å; D3119-R3122 IonicContact OD2-CZ 2.7Å; D3119-R3122 IonicContact OD2-NE 3.18Å; D3119-R3122 PolarHBondContact OD2-NE 2.83Å
3123F87.8Confident80.2Confident33.6 Ų33.664 Ų6415%0.14735%0.345CS..Hα-helixtrans-72.8-42.6178.2-176.9-97.9000111.7F2762 K2766 L3080 L3083 A3084 A3087 F3118 D3119 F3120 L3121F2762-F3123 HydrophobicContact CB-CE1 4.45Å; F2762-F3123 HydrophobicContact CD2-CE1 4.42Å; F2762-F3123 HydrophobicContact CG-CE1 4.44Å; K2766-F3123 WeakPolarHBondContact CE-O 3.37Å; K2766-F3123 HydrophobicContact CG-CE1 4.41Å; K2766-F3123 HydrophobicContact CG-CE2 4.48Å; K2766-F3123 HydrophobicContact CG-CZ 4.02Å; K2766-F3123 PolarHBondContact NZ-O 3.16Å; L3080-F3123 HydrophobicContact CD1-CE2 3.91Å; L3080-F3123 HydrophobicContact CD1-CZ 3.95Å; L3083-F3123 HydrophobicContact CB-CD2 4.09Å; L3083-F3123 HydrophobicContact CB-CE2 3.73Å; L3083-F3123 HydrophobicContact CB-CZ 4.31Å; L3083-F3123 HydrophobicContact CD1-CD2 4.34Å; L3083-F3123 HydrophobicContact CD1-CE2 4.37Å; A3084-F3123 HydrophobicContact CB-CE1 4.43Å; A3084-F3123 HydrophobicContact CB-CZ 4.3Å; A3087-F3123 HydrophobicContact CB-CD1 3.53Å; A3087-F3123 VanDerWaalsContact CB-CD1 3.46Å; A3087-F3123 HydrophobicContact CB-CE1 3.47Å; A3087-F3123 VanDerWaalsContact CB-CE1 3.43Å; A3087-F3123 HydrophobicContact CB-CG 4.45Å; A3087-F3123 HydrophobicContact CB-CZ 4.42Å; F3118-F3123 HydrophobicContact CD2-CB 4.47Å; F3118-F3123 HydrophobicContact CE2-CB 3.83Å; F3118-F3123 HydrophobicContact CE2-CD1 4.33Å; F3118-F3123 HydrophobicContact CE2-CD2 4.32Å; F3118-F3123 AromaticContact CE2-CG 3.8Å; F3118-F3123 HydrophobicContact CE2-CG 3.9Å; F3118-F3123 HydrophobicContact CZ-CB 4.36Å; F3118-F3123 HydrophobicContact CZ-CD1 4.33Å; F3118-F3123 HydrophobicContact CZ-CG 4.39Å; D3119-F3123 WeakPolarHBondContact O-CB 3.37Å; D3119-F3123 PolarHBondContact O-N 3.23Å; D3119-F3123 VanDerWaalsContact O-N 3.09Å; F3120-F3123 PolarHBondContact O-N 3.15Å; L3121-F3123 VanDerWaalsContact C-N 3.34Å
3124M85.7Confident80.2Confident18.8 Ų18.867.1 Ų67.19%0.09336%0.358CS..Hα-helixtrans-88-33.2-174.4-69.7-55.6-57.400113.9F2762 K2766 A3087 L3091 F3120 L3121 L3149 N3153F2762-M3124 HydrophobicContact CD1-CE 4.42Å; F2762-M3124 HydrophobicContact CD1-SD 4.39Å; F2762-M3124 HydrophobicContact CE1-CE 3.47Å; F2762-M3124 VanDerWaalsContact CE1-CE 3.46Å; F2762-M3124 HydrophobicContact CE1-SD 3.87Å; F2762-M3124 HydrophobicContact CE2-CE 4.43Å; F2762-M3124 HydrophobicContact CE2-SD 3.99Å; F2762-M3124 HydrophobicContact CZ-CE 3.45Å; F2762-M3124 VanDerWaalsContact CZ-CE 3.45Å; F2762-M3124 HydrophobicContact CZ-SD 3.57Å; F2762-M3124 WeakPolarHBondContact CZ-SD 3.45Å; K2766-M3124 PolarHBondContact NZ-O 3.49Å; A3087-M3124 HydrophobicContact CB-SD 4.25Å; L3091-M3124 HydrophobicContact CD1-CE 4.27Å; L3091-M3124 HydrophobicContact CD1-SD 4.38Å; F3120-M3124 HydrophobicContact CD1-CG 4.39Å; F3120-M3124 HydrophobicContact CD2-CG 3.87Å; F3120-M3124 HydrophobicContact CE1-CB 4.43Å; F3120-M3124 HydrophobicContact CE1-CG 4.08Å; F3120-M3124 HydrophobicContact CE2-CG 3.44Å; F3120-M3124 VanDerWaalsContact CE2-CG 3.45Å; F3120-M3124 HydrophobicContact CE2-SD 4.26Å; F3120-M3124 HydrophobicContact CG-CG 4.37Å; F3120-M3124 HydrophobicContact CZ-CB 4.37Å; F3120-M3124 HydrophobicContact CZ-CG 3.57Å; F3120-M3124 WeakPolarHBondContact O-CB 3.35Å; F3120-M3124 WeakPolarHBondContact O-CG 3.37Å; F3120-M3124 PolarHBondContact O-N 3.08Å; L3121-M3124 PolarHBondContact O-N 3.21Å; M3124-L3149 HydrophobicContact CB-CB 4.44Å; M3124-L3149 HydrophobicContact CB-CD1 4.06Å; M3124-L3149 HydrophobicContact CB-CD2 4.45Å; M3124-N3153 HydrophobicContact CE-CB 3.43Å; M3124-N3153 VanDerWaalsContact CE-CB 3.49Å; M3124-N3153 VanDerWaalsContact CE-CG 3.44Å; M3124-N3153 VanDerWaalsContact CE-ND2 3.3Å; M3124-N3153 WeakPolarHBondContact CE-ND2 3.32Å
3125G78.7Confident80.3Confident14.8 Ų14.870.7 Ų70.715%0.15336%0.357CS..  trans-126.3160.4-17400000113.4L3121L3121-G3125 WeakPolarHBondContact O-CA 3.37Å; L3121-G3125 PolarHBondContact O-N 3.21Å
3126T79.1Confident80.8Confident79.2 Ų79.270.9 Ų70.949%0.48636%0.357SS..  trans-99.1161.8166.365.20000109.9V3128 N3129 Y3130T3126-V3128 PolarHBondContact O-N 3.27Å; T3126-V3128 VanDerWaalsContact O-N 3.09Å; T3126-V3128 PolarHBondContact OG1-N 2.8Å; T3126-N3129 PolarHBondContact N-OD1 3.47Å; T3126-N3129 VanDerWaalsContact N-OD1 3.1Å; T3126-N3129 WeakPolarHBondContact O-CB 3.28Å; T3126-N3129 PolarHBondContact O-N 3.06Å; T3126-N3129 VanDerWaalsContact O-N 3.08Å; T3126-N3129 PolarHBondContact OG1-N 3.01Å; T3126-N3129 PolarHBondContact OG1-OD1 2.95Å; T3126-Y3130 PolarHBondContact O-N 3.07Å; T3126-Y3130 VanDerWaalsContact O-N 3.12Å
3127D74.3Confident81.2Confident125.8 Ų125.864.1 Ų64.167%0.67334%0.338SS*.Hα-helixtrans-56.4-29.9173.3-64.9-31.1000111.9N3129 Y3130 L3131 K3264D3127-N3129 VanDerWaalsContact C-N 3.32Å; D3127-N3129 PolarHBondContact O-N 3.39Å; D3127-Y3130 WeakPolarHBondContact O-CB 3.49Å; D3127-Y3130 PolarHBondContact O-N 3.12Å; D3127-L3131 WeakPolarHBondContact O-CB 3.42Å; D3127-L3131 VanDerWaalsContact O-CG 3.26Å; D3127-L3131 WeakPolarHBondContact O-CG 3.4Å; D3127-L3131 PolarHBondContact O-N 3.24Å; D3127-K3264 IonicContact OD2-NZ 2.82Å; D3127-K3264 PolarHBondContact OD2-NZ 2.85Å
3128V76.8Confident81.6Confident78 Ų7861.2 Ų61.247%0.47331%0.306SS..Hα-helixtrans-65.6-42.5175.51800000111.6T3126 Y3130 L3131 N3132 E3268T3126-V3128 PolarHBondContact O-N 3.27Å; T3126-V3128 VanDerWaalsContact O-N 3.09Å; T3126-V3128 PolarHBondContact OG1-N 2.8Å; V3128-Y3130 VanDerWaalsContact C-N 3.32Å; V3128-Y3130 PolarHBondContact O-N 3.15Å; V3128-L3131 PolarHBondContact O-N 3.17Å; V3128-N3132 WeakPolarHBondContact O-CB 3.36Å; V3128-N3132 VanDerWaalsContact O-CG 3.24Å; V3128-N3132 PolarHBondContact O-N 2.99Å; V3128-N3132 PolarHBondContact O-ND2 2.89Å; V3128-E3268 WeakPolarHBondContact CG2-OE2 3.48Å
3129N78.1Confident81.3Confident64.4 Ų64.461.9 Ų61.934%0.34431%0.312SS..Hα-helixtrans-61.4-46.3175.9-66.328.6000110.4T3126 D3127 L3131 N3132 F3133T3126-N3129 PolarHBondContact N-OD1 3.47Å; T3126-N3129 VanDerWaalsContact N-OD1 3.1Å; T3126-N3129 WeakPolarHBondContact O-CB 3.28Å; T3126-N3129 PolarHBondContact O-N 3.06Å; T3126-N3129 VanDerWaalsContact O-N 3.08Å; T3126-N3129 PolarHBondContact OG1-N 3.01Å; T3126-N3129 PolarHBondContact OG1-OD1 2.95Å; D3127-N3129 VanDerWaalsContact C-N 3.32Å; D3127-N3129 PolarHBondContact O-N 3.39Å; N3129-L3131 VanDerWaalsContact C-N 3.33Å; N3129-L3131 PolarHBondContact O-N 3.16Å; N3129-N3132 WeakPolarHBondContact O-CB 3.07Å; N3129-N3132 PolarHBondContact O-N 3.24Å; N3129-N3132 VanDerWaalsContact O-N 3.08Å; N3129-F3133 HydrophobicContact CB-CE2 4.19Å; N3129-F3133 HydrophobicContact CB-CZ 4.17Å; N3129-F3133 VanDerWaalsContact O-CD1 3.29Å; N3129-F3133 WeakPolarHBondContact O-CD1 3.48Å; N3129-F3133 WeakPolarHBondContact O-CD2 3.35Å; N3129-F3133 VanDerWaalsContact O-CG 3.27Å; N3129-F3133 WeakPolarHBondContact O-CG 3.39Å; N3129-F3133 PolarHBondContact O-N 3.2Å
3130Y77.5Confident80.9Confident75 Ų7563.1 Ų63.129%0.29432%0.319SS..Hα-helixtrans-57.5-48.7177.5179.2-99.9000112.2T3126 D3127 V3128 N3132 F3133 K3134 D3140 V3145T3126-Y3130 PolarHBondContact O-N 3.07Å; T3126-Y3130 VanDerWaalsContact O-N 3.12Å; D3127-Y3130 WeakPolarHBondContact O-CB 3.49Å; D3127-Y3130 PolarHBondContact O-N 3.12Å; V3128-Y3130 VanDerWaalsContact C-N 3.32Å; V3128-Y3130 PolarHBondContact O-N 3.15Å; Y3130-N3132 VanDerWaalsContact C-N 3.29Å; Y3130-N3132 PolarHBondContact O-N 3.17Å; Y3130-F3133 PolarHBondContact O-N 3.09Å; Y3130-K3134 HydrophobicContact CE1-CD 4.41Å; Y3130-K3134 VanDerWaalsContact CZ-NZ 3.28Å; Y3130-K3134 WeakPolarHBondContact O-CB 3.35Å; Y3130-K3134 PolarHBondContact O-N 3.22Å; Y3130-K3134 VanDerWaalsContact O-N 3.11Å; Y3130-K3134 WeakPolarHBondContact OH-CE 3.36Å; Y3130-K3134 PolarHBondContact OH-NZ 3.2Å; Y3130-D3140 PolarHBondContact OH-O 3.21Å; Y3130-D3140 PolarHBondContact OH-OD1 3.22Å; Y3130-D3140 VanDerWaalsContact OH-OD1 3.1Å; Y3130-V3145 HydrophobicContact CD2-CB 4.3Å; Y3130-V3145 HydrophobicContact CD2-CG1 3.87Å; Y3130-V3145 HydrophobicContact CD2-CG2 3.65Å; Y3130-V3145 VanDerWaalsContact CD2-CG2 3.46Å; Y3130-V3145 HydrophobicContact CE2-CB 4.23Å; Y3130-V3145 HydrophobicContact CE2-CG1 4.26Å; Y3130-V3145 HydrophobicContact CE2-CG2 3.48Å
3131L77Confident80.4Confident76.2 Ų76.267.7 Ų67.740%0.39934%0.34SS..Hα-helixtrans-64.1-34.9177.9-68.3172.1000112.4D3127 V3128 N3129 F3133 K3134 R3135 E3261 K3264D3127-L3131 WeakPolarHBondContact O-CB 3.42Å; D3127-L3131 VanDerWaalsContact O-CG 3.26Å; D3127-L3131 WeakPolarHBondContact O-CG 3.4Å; D3127-L3131 PolarHBondContact O-N 3.24Å; V3128-L3131 PolarHBondContact O-N 3.17Å; N3129-L3131 VanDerWaalsContact C-N 3.33Å; N3129-L3131 PolarHBondContact O-N 3.16Å; L3131-F3133 PolarHBondContact O-N 3.45Å; L3131-K3134 WeakPolarHBondContact O-CB 3.06Å; L3131-K3134 PolarHBondContact O-N 3.09Å; L3131-R3135 WeakPolarHBondContact O-CD 3.32Å; L3131-R3135 VanDerWaalsContact O-CG 3.28Å; L3131-R3135 WeakPolarHBondContact O-CG 3.35Å; L3131-R3135 PolarHBondContact O-N 3.25Å; L3131-R3135 VanDerWaalsContact O-N 3.1Å; L3131-E3261 HydrophobicContact CB-CB 4.39Å; L3131-E3261 HydrophobicContact CB-CG 4.02Å; L3131-E3261 HydrophobicContact CD1-CB 3.95Å; L3131-E3261 HydrophobicContact CD1-CG 3.73Å; L3131-E3261 HydrophobicContact CD2-CB 4.47Å; L3131-E3261 HydrophobicContact CD2-CG 3.39Å; L3131-E3261 WeakPolarHBondContact CD2-OE1 3.26Å; L3131-E3261 HydrophobicContact CG-CB 4.43Å; L3131-E3261 HydrophobicContact CG-CG 3.82Å; L3131-K3264 HydrophobicContact CD1-CD 4.19Å
3132N81.8Confident80.2Confident55.4 Ų55.471.2 Ų71.230%0.29636%0.356SS..Hα-helixtrans-68.2-45176.2-75.4-22.7000111.9V3128 N3129 Y3130 K3134 R3135 E3136V3128-N3132 WeakPolarHBondContact O-CB 3.36Å; V3128-N3132 VanDerWaalsContact O-CG 3.24Å; V3128-N3132 PolarHBondContact O-N 2.99Å; V3128-N3132 PolarHBondContact O-ND2 2.89Å; N3129-N3132 WeakPolarHBondContact O-CB 3.07Å; N3129-N3132 PolarHBondContact O-N 3.24Å; N3129-N3132 VanDerWaalsContact O-N 3.08Å; Y3130-N3132 VanDerWaalsContact C-N 3.29Å; Y3130-N3132 PolarHBondContact O-N 3.17Å; N3132-K3134 VanDerWaalsContact C-N 3.28Å; N3132-K3134 PolarHBondContact O-N 3.02Å; N3132-R3135 WeakPolarHBondContact O-CB 3.46Å; N3132-R3135 PolarHBondContact O-N 2.91Å; N3132-R3135 VanDerWaalsContact O-N 3.13Å; N3132-E3136 WeakPolarHBondContact O-CB 3.36Å; N3132-E3136 VanDerWaalsContact O-CD 3.31Å; N3132-E3136 VanDerWaalsContact O-CG 3.27Å; N3132-E3136 WeakPolarHBondContact O-CG 3.33Å; N3132-E3136 PolarHBondContact O-N 2.91Å
3133F84.8Confident80.2Confident5.2 Ų5.262.7 Ų62.72%0.02333%0.327CS..Hα-helixtrans-59.5-40.9176.4-58.4-29.2000111.8N3129 Y3130 L3131 R3135 E3136 G3137 L3138 V3145 A3148 L3149 L3152 W3170 H3174N3129-F3133 HydrophobicContact CB-CE2 4.19Å; N3129-F3133 HydrophobicContact CB-CZ 4.17Å; N3129-F3133 VanDerWaalsContact O-CD1 3.29Å; N3129-F3133 WeakPolarHBondContact O-CD1 3.48Å; N3129-F3133 WeakPolarHBondContact O-CD2 3.35Å; N3129-F3133 VanDerWaalsContact O-CG 3.27Å; N3129-F3133 WeakPolarHBondContact O-CG 3.39Å; N3129-F3133 PolarHBondContact O-N 3.2Å; Y3130-F3133 PolarHBondContact O-N 3.09Å; L3131-F3133 PolarHBondContact O-N 3.45Å; F3133-R3135 VanDerWaalsContact C-N 3.34Å; F3133-R3135 PolarHBondContact O-N 3.26Å; F3133-E3136 WeakPolarHBondContact O-CB 3.28Å; F3133-E3136 PolarHBondContact O-N 3.38Å; F3133-E3136 VanDerWaalsContact O-N 3.12Å; F3133-G3137 PolarHBondContact O-N 3.09Å; F3133-G3137 VanDerWaalsContact O-N 3.14Å; F3133-L3138 HydrophobicContact CB-CB 4.05Å; F3133-L3138 HydrophobicContact CB-CD2 3.73Å; F3133-L3138 HydrophobicContact CD2-CD2 4.34Å; F3133-L3138 HydrophobicContact CG-CD2 4.29Å; F3133-L3138 VanDerWaalsContact O-CB 3.26Å; F3133-L3138 WeakPolarHBondContact O-CB 3.39Å; F3133-L3138 PolarHBondContact O-N 3.02Å; F3133-V3145 HydrophobicContact CD2-CG1 4.29Å; F3133-V3145 HydrophobicContact CE2-CG1 4.41Å; F3133-A3148 HydrophobicContact CD2-CB 4.34Å; F3133-A3148 HydrophobicContact CE2-CB 4.37Å; F3133-L3149 HydrophobicContact CE2-CD2 3.84Å; F3133-L3149 HydrophobicContact CE2-CG 4.21Å; F3133-L3149 HydrophobicContact CZ-CD2 4.18Å; F3133-L3152 HydrophobicContact CE1-CD1 3.64Å; F3133-L3152 HydrophobicContact CE2-CD1 4.34Å; F3133-L3152 HydrophobicContact CZ-CD1 3.55Å; F3133-W3170 HydrophobicContact CB-CZ2 4.31Å; F3133-W3170 AromaticContact CD1-CE2 3.96Å; F3133-W3170 AromaticContact CD1-CZ2 3.74Å; F3133-W3170 HydrophobicContact CD1-CZ2 3.74Å; F3133-W3170 AromaticContact CD1-NE1 3.82Å; F3133-W3170 HydrophobicContact CD2-CZ2 4.41Å; F3133-W3170 AromaticContact CE1-CZ2 3.89Å; F3133-W3170 HydrophobicContact CE1-CZ2 3.93Å; F3133-W3170 AromaticContact CG-CZ2 3.83Å; F3133-W3170 HydrophobicContact CG-CZ2 4.2Å; F3133-W3170 HydrophobicContact CZ-CZ2 4.44Å; F3133-H3174 AromaticContact CD1-CE1 3.98Å; F3133-H3174 AromaticContact CD1-ND1 3.98Å; F3133-H3174 AromaticContact CE1-CE1 3.58Å; F3133-H3174 VanDerWaalsContact CE1-CE1 3.47Å; F3133-H3174 WeakPolarHBondContact CE1-CE1 3.42Å; F3133-H3174 AromaticContact CE1-ND1 3.93Å; F3133-H3174 AromaticContact CE1-NE2 3.92Å
3134K79.6Confident79.9Confident79.4 Ų79.461.7 Ų61.735%0.34532%0.324SS..Hα-helixtrans-61.8-43175-158.4175.1-173.7160.70112.7Y3130 L3131 N3132 E3136 G3137 D3140 L3257Y3130-K3134 HydrophobicContact CE1-CD 4.41Å; Y3130-K3134 VanDerWaalsContact CZ-NZ 3.28Å; Y3130-K3134 WeakPolarHBondContact O-CB 3.35Å; Y3130-K3134 PolarHBondContact O-N 3.22Å; Y3130-K3134 VanDerWaalsContact O-N 3.11Å; Y3130-K3134 WeakPolarHBondContact OH-CE 3.36Å; Y3130-K3134 PolarHBondContact OH-NZ 3.2Å; L3131-K3134 WeakPolarHBondContact O-CB 3.06Å; L3131-K3134 PolarHBondContact O-N 3.09Å; N3132-K3134 VanDerWaalsContact C-N 3.28Å; N3132-K3134 PolarHBondContact O-N 3.02Å; K3134-E3136 PolarHBondContact O-N 3.05Å; K3134-G3137 PolarHBondContact O-N 3.33Å; K3134-G3137 VanDerWaalsContact O-N 3.12Å; K3134-D3140 WeakPolarHBondContact CD-OD1 3.29Å; K3134-D3140 VanDerWaalsContact CE-CG 3.43Å; K3134-D3140 WeakPolarHBondContact CE-OD1 3.28Å; K3134-D3140 WeakPolarHBondContact CE-OD2 3.43Å; K3134-D3140 WeakPolarHBondContact CG-OD1 2.83Å; K3134-D3140 IonicContact NZ-OD1 3.33Å; K3134-D3140 PolarHBondContact NZ-OD1 3.03Å; K3134-D3140 IonicContact NZ-OD2 3.32Å; K3134-D3140 PolarHBondContact NZ-OD2 3.12Å; K3134-L3257 HydrophobicContact CD-CD2 3.74Å
3135R79.4Confident79.9Confident172.2 Ų172.261.1 Ų61.165%0.6532%0.322SS*.Hα-helixtrans-65.8-27.1174.8-72.8172177.3-175.4-2.5112.8L3131 N3132 F3133 G3137 K3173 E3258 E3261L3131-R3135 WeakPolarHBondContact O-CD 3.32Å; L3131-R3135 VanDerWaalsContact O-CG 3.28Å; L3131-R3135 WeakPolarHBondContact O-CG 3.35Å; L3131-R3135 PolarHBondContact O-N 3.25Å; L3131-R3135 VanDerWaalsContact O-N 3.1Å; N3132-R3135 WeakPolarHBondContact O-CB 3.46Å; N3132-R3135 PolarHBondContact O-N 2.91Å; N3132-R3135 VanDerWaalsContact O-N 3.13Å; F3133-R3135 VanDerWaalsContact C-N 3.34Å; F3133-R3135 PolarHBondContact O-N 3.26Å; R3135-G3137 VanDerWaalsContact C-N 3.33Å; R3135-K3173 PolarHBondContact O-NZ 3.21Å; R3135-E3258 PolarHBondContact NH2-O 3.16Å; R3135-E3258 VanDerWaalsContact NH2-O 3.12Å; R3135-E3261 IonicContact CZ-OE2 3.31Å; R3135-E3261 IonicContact NE-OE2 2.61Å; R3135-E3261 PolarHBondContact NE-OE2 3.33Å; R3135-E3261 VanDerWaalsContact NH2-CB 3.31Å; R3135-E3261 IonicContact NH2-OE2 2.82Å
3136E84.5Confident80.3Confident13 Ų1361.2 Ų61.26%0.06132%0.319CS..Hα-helixtrans-79.3-19.7178-71.6161.3-178.500112.6N3132 F3133 K3134 W3170 K3173 H3174 K3177N3132-E3136 WeakPolarHBondContact O-CB 3.36Å; N3132-E3136 VanDerWaalsContact O-CD 3.31Å; N3132-E3136 VanDerWaalsContact O-CG 3.27Å; N3132-E3136 WeakPolarHBondContact O-CG 3.33Å; N3132-E3136 PolarHBondContact O-N 2.91Å; F3133-E3136 WeakPolarHBondContact O-CB 3.28Å; F3133-E3136 PolarHBondContact O-N 3.38Å; F3133-E3136 VanDerWaalsContact O-N 3.12Å; K3134-E3136 PolarHBondContact O-N 3.05Å; E3136-W3170 HydrophobicContact CB-CG 4.5Å; E3136-W3170 PolarHBondContact OE2-NE1 3.11Å; E3136-W3170 VanDerWaalsContact OE2-NE1 3.11Å; E3136-K3173 HydrophobicContact CB-CD 4.31Å; E3136-K3173 HydrophobicContact CG-CD 4.41Å; E3136-K3173 HydrophobicContact CG-CG 4.43Å; E3136-K3173 WeakPolarHBondContact O-CD 3.42Å; E3136-K3173 WeakPolarHBondContact O-CE 3.42Å; E3136-K3173 PolarHBondContact O-NZ 3.36Å; E3136-H3174 VanDerWaalsContact CD-ND1 3.28Å; E3136-H3174 IonicContact OE1-CE1 3.81Å; E3136-H3174 IonicContact OE1-ND1 3.63Å; E3136-H3174 PolarHBondContact OE1-ND1 3.15Å; E3136-H3174 VanDerWaalsContact OE1-ND1 3.17Å; E3136-H3174 WeakPolarHBondContact OE2-CB 3.42Å; E3136-H3174 IonicContact OE2-CE1 3.36Å; E3136-H3174 IonicContact OE2-CG 3.27Å; E3136-H3174 IonicContact OE2-ND1 3.3Å; E3136-H3174 PolarHBondContact OE2-ND1 3.13Å; E3136-K3177 WeakPolarHBondContact OE1-CE 3.32Å; E3136-K3177 IonicContact OE1-NZ 3.22Å; E3136-K3177 PolarHBondContact OE1-NZ 3.18Å
3137G80.4Confident80.6Confident46.6 Ų46.659.8 Ų59.848%0.4831%0.308SS..THydrogen-bonded Turntrans11511.1175.300000114.4F3133 K3134 R3135F3133-G3137 PolarHBondContact O-N 3.09Å; F3133-G3137 VanDerWaalsContact O-N 3.14Å; K3134-G3137 PolarHBondContact O-N 3.33Å; K3134-G3137 VanDerWaalsContact O-N 3.12Å; R3135-G3137 VanDerWaalsContact C-N 3.33Å
3138L83.6Confident81.3Confident11.6 Ų11.653.9 Ų53.96%0.06128%0.277CS..  trans-68138.5172.5-166.572.1000110.1F3133 A3144 V3145 A3148 W3170F3133-L3138 HydrophobicContact CB-CB 4.05Å; F3133-L3138 HydrophobicContact CB-CD2 3.73Å; F3133-L3138 HydrophobicContact CD2-CD2 4.34Å; F3133-L3138 HydrophobicContact CG-CD2 4.29Å; F3133-L3138 VanDerWaalsContact O-CB 3.26Å; F3133-L3138 WeakPolarHBondContact O-CB 3.39Å; F3133-L3138 PolarHBondContact O-N 3.02Å; L3138-A3144 HydrophobicContact CD1-CB 4.36Å; L3138-A3144 HydrophobicContact CD2-CB 4.44Å; L3138-A3144 HydrophobicContact CG-CB 4.22Å; L3138-V3145 HydrophobicContact CD2-CG2 4.08Å; L3138-A3148 HydrophobicContact CD1-CB 4.33Å; L3138-A3148 HydrophobicContact CD2-CB 3.56Å; L3138-W3170 HydrophobicContact CB-CD2 4.36Å; L3138-W3170 HydrophobicContact CB-CG 4.1Å; L3138-W3170 HydrophobicContact CD1-CB 4.48Å; L3138-W3170 HydrophobicContact CD1-CD2 3.88Å; L3138-W3170 HydrophobicContact CD1-CE3 4.06Å; L3138-W3170 HydrophobicContact CD1-CG 4.04Å; L3138-W3170 HydrophobicContact CD1-CZ3 4.46Å; L3138-W3170 HydrophobicContact CG-CD2 4.46Å
3139P78.7Confident81.8Confident36.4 Ų36.450.4 Ų50.424%0.23626%0.255CS..  trans-56.1148.4174.6-2735.6000113.4E3141 A3144P3139-E3141 HydrophobicContact CB-CG 4.28Å; P3139-E3141 PolarHBondContact O-N 3.13Å; P3139-E3141 VanDerWaalsContact O-N 3.12Å; P3139-A3144 HydrophobicContact CB-CB 4.08Å; P3139-A3144 HydrophobicContact CG-CB 4.42Å
3140D74.3Confident82.2Confident91.8 Ų91.847.7 Ų47.749%0.49124%0.242SC..SBendtrans-76.926.3-178.4-144.613.5000113.3Y3130 K3134Y3130-D3140 PolarHBondContact OH-O 3.21Å; Y3130-D3140 PolarHBondContact OH-OD1 3.22Å; Y3130-D3140 VanDerWaalsContact OH-OD1 3.1Å; K3134-D3140 WeakPolarHBondContact CD-OD1 3.29Å; K3134-D3140 VanDerWaalsContact CE-CG 3.43Å; K3134-D3140 WeakPolarHBondContact CE-OD1 3.28Å; K3134-D3140 WeakPolarHBondContact CE-OD2 3.43Å; K3134-D3140 WeakPolarHBondContact CG-OD1 2.83Å; K3134-D3140 IonicContact NZ-OD1 3.33Å; K3134-D3140 PolarHBondContact NZ-OD1 3.03Å; K3134-D3140 IonicContact NZ-OD2 3.32Å; K3134-D3140 PolarHBondContact NZ-OD2 3.12Å
3141E78.2Confident82.6Confident103.6 Ų103.645.8 Ų45.848%0.48424%0.238SC..  trans-100.5136.4-176.7-62.5-179.1179.500110.5P3139 T3143 A3144 V3145 G3232 Q3236P3139-E3141 HydrophobicContact CB-CG 4.28Å; P3139-E3141 PolarHBondContact O-N 3.13Å; P3139-E3141 VanDerWaalsContact O-N 3.12Å; E3141-T3143 PolarHBondContact O-N 3.22Å; E3141-T3143 VanDerWaalsContact O-N 3.15Å; E3141-A3144 HydrophobicContact CB-CB 4.25Å; E3141-A3144 WeakPolarHBondContact O-CB 3.37Å; E3141-A3144 PolarHBondContact O-N 3.32Å; E3141-A3144 VanDerWaalsContact O-N 3.09Å; E3141-V3145 WeakPolarHBondContact O-CG2 3.35Å; E3141-V3145 PolarHBondContact O-N 3.1Å; E3141-G3232 VanDerWaalsContact OE1-C 3.29Å; E3141-G3232 WeakPolarHBondContact OE1-CA 3.4Å; E3141-G3232 WeakPolarHBondContact OE2-CA 3.46Å; E3141-Q3236 WeakPolarHBondContact OE1-CG 3.22Å
3142E80.6Confident83.1Confident110 Ų11044.8 Ų44.851%0.51423%0.233SC..Hα-helixtrans-52.7-41.9177.7-69179.3169.500111.5K3103 L3121 A3144 V3145 E3146K3103-E3142 WeakPolarHBondContact CE-OE2 3.44Å; K3103-E3142 IonicContact NZ-OE2 2.79Å; K3103-E3142 PolarHBondContact NZ-OE2 3.12Å; L3121-E3142 HydrophobicContact CD1-CB 4.3Å; L3121-E3142 HydrophobicContact CD1-CG 4.29Å; E3142-A3144 VanDerWaalsContact C-N 3.34Å; E3142-A3144 PolarHBondContact O-N 3.05Å; E3142-V3145 PolarHBondContact O-N 3.1Å; E3142-V3145 VanDerWaalsContact O-N 3.16Å; E3142-E3146 WeakPolarHBondContact O-CB 3.46Å; E3142-E3146 VanDerWaalsContact O-CG 3.29Å; E3142-E3146 WeakPolarHBondContact O-CG 3.34Å; E3142-E3146 PolarHBondContact O-N 3.02Å
3143T82.3Confident83.3Confident26.4 Ų26.444.3 Ų44.316%0.16223%0.23CC..Hα-helixtrans-64.3-35.6179.654.60000113.1E3099 E3141 V3145 N3147 S3231E3099-T3143 HydrophobicContact CB-CG2 4.06Å; E3099-T3143 HydrophobicContact CG-CG2 3.85Å; E3141-T3143 PolarHBondContact O-N 3.22Å; E3141-T3143 VanDerWaalsContact O-N 3.15Å; T3143-V3145 VanDerWaalsContact C-N 3.34Å; T3143-N3147 WeakPolarHBondContact O-CB 3.36Å; T3143-N3147 PolarHBondContact O-N 3.18Å; T3143-N3147 PolarHBondContact O-ND2 3.04Å; T3143-N3147 VanDerWaalsContact O-ND2 3.15Å; T3143-N3147 PolarHBondContact O-OD1 3.26Å; T3143-S3231 WeakPolarHBondContact CG2-OG 3.32Å
3144A83.2Confident83Confident11.4 Ų11.445.3 Ų45.39%0.09424%0.242CC..Hα-helixtrans-66.8-40.5176.200000110.7L3138 P3139 E3141 E3142 N3147 A3148L3138-A3144 HydrophobicContact CD1-CB 4.36Å; L3138-A3144 HydrophobicContact CD2-CB 4.44Å; L3138-A3144 HydrophobicContact CG-CB 4.22Å; P3139-A3144 HydrophobicContact CB-CB 4.08Å; P3139-A3144 HydrophobicContact CG-CB 4.42Å; E3141-A3144 HydrophobicContact CB-CB 4.25Å; E3141-A3144 WeakPolarHBondContact O-CB 3.37Å; E3141-A3144 PolarHBondContact O-N 3.32Å; E3141-A3144 VanDerWaalsContact O-N 3.09Å; E3142-A3144 VanDerWaalsContact C-N 3.34Å; E3142-A3144 PolarHBondContact O-N 3.05Å; A3144-N3147 PolarHBondContact O-N 3.2Å; A3144-A3148 WeakPolarHBondContact O-CB 3.23Å; A3144-A3148 PolarHBondContact O-N 3.05Å
3145V85.4Confident82.8Confident6 Ų645.1 Ų45.14%0.03625%0.249CC..Hα-helixtrans-71-40.8177-177.80000111.7L3121 Y3130 F3133 L3138 E3141 E3142 T3143 N3147 A3148 L3149L3121-V3145 HydrophobicContact CD2-CB 4.15Å; L3121-V3145 HydrophobicContact CD2-CG1 3.77Å; Y3130-V3145 HydrophobicContact CD2-CB 4.3Å; Y3130-V3145 HydrophobicContact CD2-CG1 3.87Å; Y3130-V3145 HydrophobicContact CD2-CG2 3.65Å; Y3130-V3145 VanDerWaalsContact CD2-CG2 3.46Å; Y3130-V3145 HydrophobicContact CE2-CB 4.23Å; Y3130-V3145 HydrophobicContact CE2-CG1 4.26Å; Y3130-V3145 HydrophobicContact CE2-CG2 3.48Å; F3133-V3145 HydrophobicContact CD2-CG1 4.29Å; F3133-V3145 HydrophobicContact CE2-CG1 4.41Å; L3138-V3145 HydrophobicContact CD2-CG2 4.08Å; E3141-V3145 WeakPolarHBondContact O-CG2 3.35Å; E3141-V3145 PolarHBondContact O-N 3.1Å; E3142-V3145 PolarHBondContact O-N 3.1Å; E3142-V3145 VanDerWaalsContact O-N 3.16Å; T3143-V3145 VanDerWaalsContact C-N 3.34Å; V3145-N3147 VanDerWaalsContact C-N 3.28Å; V3145-N3147 PolarHBondContact O-N 3.03Å; V3145-A3148 PolarHBondContact O-N 3.07Å; V3145-L3149 HydrophobicContact CG1-CD1 4.04Å; V3145-L3149 HydrophobicContact CG1-CG 4.33Å; V3145-L3149 WeakPolarHBondContact O-CB 3.39Å; V3145-L3149 VanDerWaalsContact O-CG 3.32Å; V3145-L3149 WeakPolarHBondContact O-CG 3.3Å; V3145-L3149 PolarHBondContact O-N 3.09Å
3146E87.1Confident82.7Confident18.4 Ų18.441.5 Ų41.59%0.08624%0.24CC..Hα-helixtrans-55.5-45.7171.9-73.9175.2163.400110.9F3090 R3102 F3120 L3121 E3142 L3149 A3150F3090-E3146 HydrophobicContact CE1-CB 4.24Å; F3090-E3146 HydrophobicContact CE1-CG 4.23Å; F3090-E3146 HydrophobicContact CZ-CB 4.25Å; F3090-E3146 VanDerWaalsContact CZ-CD 3.48Å; F3090-E3146 HydrophobicContact CZ-CG 4.11Å; F3090-E3146 WeakPolarHBondContact CZ-OE1 3.39Å; R3102-E3146 WeakPolarHBondContact CD-OE2 3.2Å; R3102-E3146 IonicContact CZ-OE2 3.28Å; R3102-E3146 IonicContact NE-OE2 3.75Å; R3102-E3146 IonicContact NH1-OE2 3.26Å; R3102-E3146 PolarHBondContact NH1-OE2 3.3Å; R3102-E3146 IonicContact NH2-OE2 2.74Å; R3102-E3146 PolarHBondContact NH2-OE2 3.08Å; F3120-E3146 HydrophobicContact CD1-CB 4.45Å; F3120-E3146 HydrophobicContact CD1-CG 4.19Å; F3120-E3146 HydrophobicContact CE1-CB 4.46Å; F3120-E3146 HydrophobicContact CE1-CG 4.43Å; L3121-E3146 HydrophobicContact CD2-CB 4.46Å; L3121-E3146 HydrophobicContact CD2-CG 3.75Å; L3121-E3146 HydrophobicContact CG-CG 4.28Å; E3142-E3146 WeakPolarHBondContact O-CB 3.46Å; E3142-E3146 VanDerWaalsContact O-CG 3.29Å; E3142-E3146 WeakPolarHBondContact O-CG 3.34Å; E3142-E3146 PolarHBondContact O-N 3.02Å; E3146-L3149 PolarHBondContact O-N 3.42Å; E3146-A3150 VanDerWaalsContact O-CB 3.24Å; E3146-A3150 WeakPolarHBondContact O-CB 3.41Å; E3146-A3150 PolarHBondContact O-N 2.91Å; E3146-A3150 VanDerWaalsContact O-N 3.12Å
3147N86Confident82.6Confident48.4 Ų48.446 Ų4626%0.25927%0.268SS..Hα-helixtrans-66.8-41.9177.8-67.2-11.7000111.8I3095 R3102 T3143 A3144 V3145 A3150 V3151 Q3228I3095-N3147 WeakPolarHBondContact CG2-OD1 3.48Å; R3102-N3147 PolarHBondContact NH1-OD1 3.15Å; R3102-N3147 PolarHBondContact NH2-OD1 3.25Å; T3143-N3147 WeakPolarHBondContact O-CB 3.36Å; T3143-N3147 PolarHBondContact O-N 3.18Å; T3143-N3147 PolarHBondContact O-ND2 3.04Å; T3143-N3147 VanDerWaalsContact O-ND2 3.15Å; T3143-N3147 PolarHBondContact O-OD1 3.26Å; A3144-N3147 PolarHBondContact O-N 3.2Å; V3145-N3147 VanDerWaalsContact C-N 3.28Å; V3145-N3147 PolarHBondContact O-N 3.03Å; N3147-A3150 VanDerWaalsContact O-CB 3.29Å; N3147-A3150 WeakPolarHBondContact O-CB 3.27Å; N3147-A3150 PolarHBondContact O-N 3.28Å; N3147-A3150 VanDerWaalsContact O-N 3.16Å; N3147-V3151 VanDerWaalsContact O-CG2 3.3Å; N3147-V3151 WeakPolarHBondContact O-CG2 3.25Å; N3147-V3151 PolarHBondContact O-N 3.13Å; N3147-V3151 VanDerWaalsContact O-N 3.09Å; N3147-Q3228 WeakPolarHBondContact ND2-CG 3.34Å; N3147-Q3228 PolarHBondContact ND2-OE1 3.33Å
3148A87.8Confident82.8Confident2.2 Ų2.246.1 Ų46.12%0.01826%0.264CS..Hα-helixtrans-61.2-48.6176.500000112F3133 L3138 A3144 V3145 A3150 V3151 L3152 W3170F3133-A3148 HydrophobicContact CD2-CB 4.34Å; F3133-A3148 HydrophobicContact CE2-CB 4.37Å; L3138-A3148 HydrophobicContact CD1-CB 4.33Å; L3138-A3148 HydrophobicContact CD2-CB 3.56Å; A3144-A3148 WeakPolarHBondContact O-CB 3.23Å; A3144-A3148 PolarHBondContact O-N 3.05Å; V3145-A3148 PolarHBondContact O-N 3.07Å; A3148-A3150 VanDerWaalsContact C-N 3.28Å; A3148-A3150 PolarHBondContact O-N 3.19Å; A3148-A3150 VanDerWaalsContact O-N 3.17Å; A3148-V3151 PolarHBondContact O-N 3Å; A3148-L3152 WeakPolarHBondContact O-CG 3.26Å; A3148-L3152 PolarHBondContact O-N 3.07Å; A3148-L3152 VanDerWaalsContact O-N 3.12Å; A3148-W3170 HydrophobicContact CB-CH2 3.39Å; A3148-W3170 VanDerWaalsContact CB-CH2 3.44Å; A3148-W3170 HydrophobicContact CB-CZ2 3.74Å; A3148-W3170 HydrophobicContact CB-CZ3 3.89Å
3149L87.6Confident82.8Confident4.4 Ų4.451 Ų512%0.02329%0.29CS..Hα-helixtrans-60.7-34.2175.9-71.4171.4000111.7F3120 L3121 M3124 F3133 V3145 E3146 L3152 N3153F3120-L3149 HydrophobicContact CE1-CB 4.36Å; L3121-L3149 HydrophobicContact CD2-CD1 3.79Å; M3124-L3149 HydrophobicContact CB-CB 4.44Å; M3124-L3149 HydrophobicContact CB-CD1 4.06Å; M3124-L3149 HydrophobicContact CB-CD2 4.45Å; F3133-L3149 HydrophobicContact CE2-CD2 3.84Å; F3133-L3149 HydrophobicContact CE2-CG 4.21Å; F3133-L3149 HydrophobicContact CZ-CD2 4.18Å; V3145-L3149 HydrophobicContact CG1-CD1 4.04Å; V3145-L3149 HydrophobicContact CG1-CG 4.33Å; V3145-L3149 WeakPolarHBondContact O-CB 3.39Å; V3145-L3149 VanDerWaalsContact O-CG 3.32Å; V3145-L3149 WeakPolarHBondContact O-CG 3.3Å; V3145-L3149 PolarHBondContact O-N 3.09Å; E3146-L3149 PolarHBondContact O-N 3.42Å; L3149-L3152 PolarHBondContact O-N 3.2Å; L3149-N3153 VanDerWaalsContact O-CB 3.27Å; L3149-N3153 WeakPolarHBondContact O-CB 3.37Å; L3149-N3153 PolarHBondContact O-N 3.15Å; L3149-N3153 VanDerWaalsContact O-N 3.08Å; L3149-N3153 PolarHBondContact O-ND2 3.2Å
3150A85.9Confident83.2Confident9 Ų952.4 Ų52.47%0.07430%0.295CS..Hα-helixtrans-70-40.2176.800000114.1L3091 I3095 E3146 N3147 A3148 L3152 N3153 G3154L3091-A3150 HydrophobicContact CD1-CB 4.37Å; L3091-A3150 HydrophobicContact CD2-CB 3.53Å; L3091-A3150 VanDerWaalsContact CD2-CB 3.42Å; L3091-A3150 HydrophobicContact CG-CB 4.2Å; I3095-A3150 HydrophobicContact CD1-CB 3.2Å; I3095-A3150 HydrophobicContact CG1-CB 4.02Å; I3095-A3150 HydrophobicContact CG2-CB 4.28Å; E3146-A3150 VanDerWaalsContact O-CB 3.24Å; E3146-A3150 WeakPolarHBondContact O-CB 3.41Å; E3146-A3150 PolarHBondContact O-N 2.91Å; E3146-A3150 VanDerWaalsContact O-N 3.12Å; N3147-A3150 VanDerWaalsContact O-CB 3.29Å; N3147-A3150 WeakPolarHBondContact O-CB 3.27Å; N3147-A3150 PolarHBondContact O-N 3.28Å; N3147-A3150 VanDerWaalsContact O-N 3.16Å; A3148-A3150 VanDerWaalsContact C-N 3.28Å; A3148-A3150 PolarHBondContact O-N 3.19Å; A3148-A3150 VanDerWaalsContact O-N 3.17Å; A3150-L3152 PolarHBondContact O-N 3.35Å; A3150-N3153 PolarHBondContact O-N 2.82Å; A3150-G3154 WeakPolarHBondContact O-CA 3.37Å; A3150-G3154 PolarHBondContact O-N 3.26Å
3151V86.9Confident83.5Confident35 Ų3554.8 Ų54.821%0.21231%0.308CS..Hα-helixtrans-62.8-42.3175.7172.10000110.7N3147 A3148 A3158 L3160 L3171N3147-V3151 VanDerWaalsContact O-CG2 3.3Å; N3147-V3151 WeakPolarHBondContact O-CG2 3.25Å; N3147-V3151 PolarHBondContact O-N 3.13Å; N3147-V3151 VanDerWaalsContact O-N 3.09Å; A3148-V3151 PolarHBondContact O-N 3Å; V3151-A3158 HydrophobicContact CG1-CB 4.49Å; V3151-A3158 HydrophobicContact CG2-CB 4.14Å; V3151-L3160 HydrophobicContact CG2-CD1 4.2Å; V3151-L3160 HydrophobicContact CG2-CD2 3.64Å; V3151-L3160 VanDerWaalsContact CG2-CD2 3.44Å; V3151-L3160 HydrophobicContact CG2-CG 4.3Å; V3151-L3171 HydrophobicContact CG1-CD1 3.9Å; V3151-L3171 HydrophobicContact CG1-CD2 4.37Å
3152L87.1Confident83.7Confident54.8 Ų54.851.4 Ų51.429%0.28729%0.292SS..Hα-helixtrans-77.5-32.2-175.9-62.7172.8000113.3F3133 A3148 L3149 A3150 W3170 L3175F3133-L3152 HydrophobicContact CE1-CD1 3.64Å; F3133-L3152 HydrophobicContact CE2-CD1 4.34Å; F3133-L3152 HydrophobicContact CZ-CD1 3.55Å; A3148-L3152 WeakPolarHBondContact O-CG 3.26Å; A3148-L3152 PolarHBondContact O-N 3.07Å; A3148-L3152 VanDerWaalsContact O-N 3.12Å; L3149-L3152 PolarHBondContact O-N 3.2Å; A3150-L3152 PolarHBondContact O-N 3.35Å; L3152-W3170 HydrophobicContact CD1-CH2 4.08Å; L3152-W3170 HydrophobicContact CD1-CZ2 4.15Å; L3152-W3170 HydrophobicContact CD2-CH2 4.35Å; L3152-W3170 HydrophobicContact CG-CH2 4.22Å; L3152-L3175 HydrophobicContact CD2-CD2 4.14Å
3153N85.7Confident83.4Confident44.6 Ų44.652 Ų5224%0.23931%0.306CS..Hα-helixtrans-102.9-7-174.6-65.3-75.8000114.3Q2758 K2761 F2762 L3091 M3124 L3149 A3150Q2758-N3153 PolarHBondContact NE2-O 3.03Å; K2761-N3153 PolarHBondContact NZ-O 3.3Å; F2762-N3153 HydrophobicContact CE1-CB 4.18Å; F2762-N3153 HydrophobicContact CZ-CB 4.42Å; L3091-N3153 HydrophobicContact CD1-CB 4.17Å; M3124-N3153 HydrophobicContact CE-CB 3.43Å; M3124-N3153 VanDerWaalsContact CE-CB 3.49Å; M3124-N3153 VanDerWaalsContact CE-CG 3.44Å; M3124-N3153 VanDerWaalsContact CE-ND2 3.3Å; M3124-N3153 WeakPolarHBondContact CE-ND2 3.32Å; L3149-N3153 VanDerWaalsContact O-CB 3.27Å; L3149-N3153 WeakPolarHBondContact O-CB 3.37Å; L3149-N3153 PolarHBondContact O-N 3.15Å; L3149-N3153 VanDerWaalsContact O-N 3.08Å; L3149-N3153 PolarHBondContact O-ND2 3.2Å; A3150-N3153 PolarHBondContact O-N 2.82Å
3154G79.5Confident83.1Confident25.6 Ų25.653.6 Ų53.626%0.26432%0.318SS..  trans-70.3140.3-177.600000113.7A3150 Q3156A3150-G3154 WeakPolarHBondContact O-CA 3.37Å; A3150-G3154 PolarHBondContact O-N 3.26Å; G3154-Q3156 VanDerWaalsContact C-N 3.29Å; G3154-Q3156 PolarHBondContact O-N 3.01Å
3155C74.8Confident82.9Confident74.8 Ų74.859.5 Ų59.551%0.50534%0.344SS..SBendtrans-79.4-1.6173.5-64.90000113.9Q2758 K2761Q2758-C3155 PolarHBondContact OE1-SG 3.16Å; K2761-C3155 VanDerWaalsContact CD-SG 3.58Å
3156Q76.6Confident82.6Confident96.8 Ų96.863.9 Ų63.945%0.45236%0.364SS..SBendtrans-125.4150.7-177.7-63-168.5-36.800110.8A2754 H3092 G3154 A3158 D3223 Q3224A2754-Q3156 VanDerWaalsContact CB-CD 3.41Å; A2754-Q3156 HydrophobicContact CB-CG 4.04Å; H3092-Q3156 PolarHBondContact CE1-OE1 2.89Å; H3092-Q3156 VanDerWaalsContact CE1-OE1 3.26Å; G3154-Q3156 VanDerWaalsContact C-N 3.29Å; G3154-Q3156 PolarHBondContact O-N 3.01Å; Q3156-A3158 PolarHBondContact O-N 3.15Å; Q3156-A3158 VanDerWaalsContact O-N 3.11Å; Q3156-D3223 HydrophobicContact CB-CB 3.8Å; Q3156-D3223 HydrophobicContact CG-CB 3.79Å; Q3156-D3223 PolarHBondContact NE2-OD1 3.39Å; Q3156-Q3224 WeakPolarHBondContact CB-O 3.38Å; Q3156-Q3224 PolarHBondContact OE1-O 3.01Å
3157V83.3Confident82.4Confident107.2 Ų107.264.5 Ų64.565%0.6537%0.37SS*.  trans-62.4118.9175.9-177.40000109.7L3221 D3223 Q3224V3157-L3221 HydrophobicContact CB-CD2 3.79Å; V3157-L3221 HydrophobicContact CG1-CD2 3.9Å; V3157-L3221 HydrophobicContact CG2-CD2 3.96Å; V3157-D3223 WeakPolarHBondContact CB-O 3.24Å; V3157-D3223 WeakPolarHBondContact CG2-O 3.35Å; V3157-D3223 PolarHBondContact N-O 3.39Å; V3157-Q3224 CarbonylContact O-C 3.59Å
3158A83.5Confident82.4Confident49 Ų4964.6 Ų64.641%0.40537%0.37SS..  trans-78.9135.7-177.300000112V3151 Q3156 I3226V3151-A3158 HydrophobicContact CG1-CB 4.49Å; V3151-A3158 HydrophobicContact CG2-CB 4.14Å; Q3156-A3158 PolarHBondContact O-N 3.15Å; Q3156-A3158 VanDerWaalsContact O-N 3.11Å; A3158-I3226 HydrophobicContact CB-CD1 3.82Å; A3158-I3226 HydrophobicContact CB-CG1 4.31Å
3159L85.2Confident82.2Confident115 Ų11567.4 Ų67.460%0.60239%0.393SS*.  trans-97.4116.2166.4179.864.1000108.7L3161 V3210 F3225 I3226L3159-L3161 HydrophobicContact CD2-CD2 4.48Å; L3159-V3210 HydrophobicContact CD1-CB 4.35Å; L3159-V3210 HydrophobicContact CD1-CG1 4.26Å; L3159-F3225 HydrophobicContact CB-CB 3.56Å; L3159-F3225 HydrophobicContact CB-CD1 3.47Å; L3159-F3225 VanDerWaalsContact CB-CD1 3.47Å; L3159-F3225 HydrophobicContact CB-CE1 4.33Å; L3159-F3225 HydrophobicContact CB-CG 3.86Å; L3159-F3225 HydrophobicContact CD2-CB 4.33Å; L3159-F3225 HydrophobicContact CG-CD1 4.4Å; L3159-I3226 CarbonylContact O-C 3.33Å; L3159-I3226 WeakPolarHBondContact O-CA 3.37Å; L3159-I3226 VanDerWaalsContact O-CB 3.32Å; L3159-I3226 WeakPolarHBondContact O-CB 3.49Å; L3159-I3226 PolarHBondContact O-N 3.17Å
3160L85Confident82.3Confident65.8 Ų65.867.5 Ų67.535%0.34539%0.393SS..  trans-99.6123.2-178.3-68.5173.3000111.2V3151 D3162 L3171V3151-L3160 HydrophobicContact CG2-CD1 4.2Å; V3151-L3160 HydrophobicContact CG2-CD2 3.64Å; V3151-L3160 VanDerWaalsContact CG2-CD2 3.44Å; V3151-L3160 HydrophobicContact CG2-CG 4.3Å; L3160-D3162 PolarHBondContact O-N 3.19Å; L3160-L3171 HydrophobicContact CD1-CD2 3.96Å
3161L81.8Confident82.5Confident142.8 Ų142.867.7 Ų67.775%0.74839%0.393SS*.  trans-90.989.3169.5-61.5179.8000108.6L3159 P3163 Y3227L3159-L3161 HydrophobicContact CD2-CD2 4.48Å; L3161-P3163 VanDerWaalsContact C-CD 3.48Å; L3161-P3163 VanDerWaalsContact O-CD 3.28Å; L3161-P3163 WeakPolarHBondContact O-CD 3.39Å; L3161-Y3227 HydrophobicContact CD1-CD1 3.13Å; L3161-Y3227 HydrophobicContact CD1-CE1 3.6Å; L3161-Y3227 HydrophobicContact CD1-CG 3.82Å; L3161-Y3227 HydrophobicContact CG-CD1 4.35Å
3162D81.3Confident82.5Confident31 Ų3167.4 Ų67.417%0.16639%0.391CS..  trans-114.979.4-176.4-174.716000112L3160 S3164 Q3165 Q3166 S3167 M3168L3160-D3162 PolarHBondContact O-N 3.19Å; D3162-S3164 PolarHBondContact O-N 3.26Å; D3162-S3164 VanDerWaalsContact O-N 3.13Å; D3162-S3164 WeakPolarHBondContact OD1-CA 3.35Å; D3162-S3164 WeakPolarHBondContact OD1-CB 3.32Å; D3162-S3164 PolarHBondContact OD1-N 2.99Å; D3162-S3164 PolarHBondContact OD1-OG 3.18Å; D3162-Q3165 VanDerWaalsContact CG-CA 3.47Å; D3162-Q3165 VanDerWaalsContact CG-N 3.31Å; D3162-Q3165 PolarHBondContact O-N 3.21Å; D3162-Q3165 WeakPolarHBondContact OD1-CA 3.4Å; D3162-Q3165 PolarHBondContact OD1-N 2.99Å; D3162-Q3165 WeakPolarHBondContact OD2-CA 3.39Å; D3162-Q3165 PolarHBondContact OD2-N 3.11Å; D3162-Q3166 PolarHBondContact OD1-N 3.2Å; D3162-Q3166 PolarHBondContact OD2-N 3.01Å; D3162-Q3166 VanDerWaalsContact OD2-N 3.14Å; D3162-S3167 VanDerWaalsContact CG-OG 3.3Å; D3162-S3167 WeakPolarHBondContact OD1-CB 3.45Å; D3162-S3167 PolarHBondContact OD1-N 3.38Å; D3162-S3167 PolarHBondContact OD1-OG 3.42Å; D3162-S3167 WeakPolarHBondContact OD2-CA 3.12Å; D3162-S3167 VanDerWaalsContact OD2-CB 3.29Å; D3162-S3167 WeakPolarHBondContact OD2-CB 3.27Å; D3162-S3167 PolarHBondContact OD2-N 3.24Å; D3162-M3168 PolarHBondContact OD2-N 3.14Å; D3162-M3168 VanDerWaalsContact OD2-N 3.1Å
3163P75.1Confident82.6Confident122.6 Ų122.669.7 Ų69.780%0.79640%0.399SS*.THydrogen-bonded Turntrans-66-17.2177.428.3-35.1000113L3161 L3354L3161-P3163 VanDerWaalsContact C-CD 3.48Å; L3161-P3163 VanDerWaalsContact O-CD 3.28Å; L3161-P3163 WeakPolarHBondContact O-CD 3.39Å; P3163-L3354 HydrophobicContact CG-CD2 4.42Å
3164S76.9Confident82.7Confident60 Ų6068.9 Ų68.942%0.4239%0.394SS..THydrogen-bonded Turntrans-92.4-13.8-178.971.70000114D3162 Q3166D3162-S3164 PolarHBondContact O-N 3.26Å; D3162-S3164 VanDerWaalsContact O-N 3.13Å; D3162-S3164 WeakPolarHBondContact OD1-CA 3.35Å; D3162-S3164 WeakPolarHBondContact OD1-CB 3.32Å; D3162-S3164 PolarHBondContact OD1-N 2.99Å; D3162-S3164 PolarHBondContact OD1-OG 3.18Å; S3164-Q3166 PolarHBondContact O-N 3.23Å; S3164-Q3166 VanDerWaalsContact O-N 3.12Å; S3164-Q3166 WeakPolarHBondContact OG-CB 3.21Å; S3164-Q3166 WeakPolarHBondContact OG-CG 3.37Å; S3164-Q3166 PolarHBondContact OG-N 3.1Å
3165Q77.3Confident83.1Confident135.2 Ų135.268.9 Ų68.963%0.63239%0.388SS*.SBendtrans58.49-171.2-56.8-17611.200115.3D3162 M3168 A3169D3162-Q3165 VanDerWaalsContact CG-CA 3.47Å; D3162-Q3165 VanDerWaalsContact CG-N 3.31Å; D3162-Q3165 PolarHBondContact O-N 3.21Å; D3162-Q3165 WeakPolarHBondContact OD1-CA 3.4Å; D3162-Q3165 PolarHBondContact OD1-N 2.99Å; D3162-Q3165 WeakPolarHBondContact OD2-CA 3.39Å; D3162-Q3165 PolarHBondContact OD2-N 3.11Å; Q3165-M3168 HydrophobicContact CB-CE 4.39Å; Q3165-M3168 HydrophobicContact CG-CE 4.45Å; Q3165-A3169 PolarHBondContact O-N 3.18Å; Q3165-A3169 VanDerWaalsContact O-N 3.09Å
3166Q80.2Confident83.6Confident98.4 Ų98.471.2 Ų71.246%0.4639%0.391SS..Hα-helixtrans-74.5-38.6179.8-65.4-179.110.400112D3162 S3164 M3168 A3169 W3170D3162-Q3166 PolarHBondContact OD1-N 3.2Å; D3162-Q3166 PolarHBondContact OD2-N 3.01Å; D3162-Q3166 VanDerWaalsContact OD2-N 3.14Å; S3164-Q3166 PolarHBondContact O-N 3.23Å; S3164-Q3166 VanDerWaalsContact O-N 3.12Å; S3164-Q3166 WeakPolarHBondContact OG-CB 3.21Å; S3164-Q3166 WeakPolarHBondContact OG-CG 3.37Å; S3164-Q3166 PolarHBondContact OG-N 3.1Å; Q3166-M3168 VanDerWaalsContact C-N 3.31Å; Q3166-M3168 PolarHBondContact O-N 3.19Å; Q3166-A3169 PolarHBondContact O-N 3.14Å; Q3166-W3170 WeakPolarHBondContact O-CB 3.34Å; Q3166-W3170 PolarHBondContact O-N 3.04Å
3167S83.5Confident83.7Confident31.2 Ų31.273.2 Ų73.222%0.21840%0.398CS..Hα-helixtrans-66.2-37.4178.5-51.10000110.7D3162 W3170 L3171D3162-S3167 VanDerWaalsContact CG-OG 3.3Å; D3162-S3167 WeakPolarHBondContact OD1-CB 3.45Å; D3162-S3167 PolarHBondContact OD1-N 3.38Å; D3162-S3167 PolarHBondContact OD1-OG 3.42Å; D3162-S3167 WeakPolarHBondContact OD2-CA 3.12Å; D3162-S3167 VanDerWaalsContact OD2-CB 3.29Å; D3162-S3167 WeakPolarHBondContact OD2-CB 3.27Å; D3162-S3167 PolarHBondContact OD2-N 3.24Å; S3167-W3170 PolarHBondContact O-N 3.4Å; S3167-L3171 VanDerWaalsContact O-CB 3.25Å; S3167-L3171 WeakPolarHBondContact O-CB 3.45Å; S3167-L3171 PolarHBondContact O-N 3.12Å
3168M84.5Confident83.3Confident50.6 Ų50.675.8 Ų75.825%0.24940%0.403CS..Hα-helixtrans-63.8-47174.9-152.5-88.7-73.600111.8D3162 Q3165 Q3166 W3170 L3171 V3172 A3183 I3206 F3208D3162-M3168 PolarHBondContact OD2-N 3.14Å; D3162-M3168 VanDerWaalsContact OD2-N 3.1Å; Q3165-M3168 HydrophobicContact CB-CE 4.39Å; Q3165-M3168 HydrophobicContact CG-CE 4.45Å; Q3166-M3168 VanDerWaalsContact C-N 3.31Å; Q3166-M3168 PolarHBondContact O-N 3.19Å; M3168-W3170 VanDerWaalsContact C-N 3.32Å; M3168-W3170 PolarHBondContact O-N 2.89Å; M3168-L3171 PolarHBondContact O-N 3.18Å; M3168-V3172 WeakPolarHBondContact O-CG2 3.44Å; M3168-V3172 PolarHBondContact O-N 3.19Å; M3168-V3172 VanDerWaalsContact O-N 3.07Å; M3168-V3172 HydrophobicContact SD-CG2 3.93Å; M3168-A3183 HydrophobicContact SD-CB 4.38Å; M3168-I3206 HydrophobicContact CE-CG2 3.43Å; M3168-I3206 VanDerWaalsContact CE-CG2 3.43Å; M3168-I3206 HydrophobicContact CG-CG2 4.42Å; M3168-I3206 HydrophobicContact SD-CG2 3.75Å; M3168-F3208 HydrophobicContact CE-CB 3.95Å; M3168-F3208 HydrophobicContact CE-CD1 4.31Å; M3168-F3208 HydrophobicContact CE-CG 4.46Å
3169A84.7Confident83Confident61 Ų6175.1 Ų75.150%0.50440%0.395SS..Hα-helixtrans-62.5-41.4177.900000112.5Q3165 Q3166 K3173Q3165-A3169 PolarHBondContact O-N 3.18Å; Q3165-A3169 VanDerWaalsContact O-N 3.09Å; Q3166-A3169 PolarHBondContact O-N 3.14Å; A3169-K3173 WeakPolarHBondContact O-CB 3.24Å; A3169-K3173 PolarHBondContact O-N 3.14Å
3170W89.3Confident82.9Confident6.4 Ų6.477.2 Ų77.22%0.02440%0.399CS..Hα-helixtrans-60.8-50.2172.7165.172.4000111.5F3133 E3136 L3138 A3148 L3152 Q3166 S3167 M3168 V3172 K3173 H3174F3133-W3170 HydrophobicContact CB-CZ2 4.31Å; F3133-W3170 AromaticContact CD1-CE2 3.96Å; F3133-W3170 AromaticContact CD1-CZ2 3.74Å; F3133-W3170 HydrophobicContact CD1-CZ2 3.74Å; F3133-W3170 AromaticContact CD1-NE1 3.82Å; F3133-W3170 HydrophobicContact CD2-CZ2 4.41Å; F3133-W3170 AromaticContact CE1-CZ2 3.89Å; F3133-W3170 HydrophobicContact CE1-CZ2 3.93Å; F3133-W3170 AromaticContact CG-CZ2 3.83Å; F3133-W3170 HydrophobicContact CG-CZ2 4.2Å; F3133-W3170 HydrophobicContact CZ-CZ2 4.44Å; E3136-W3170 HydrophobicContact CB-CG 4.5Å; E3136-W3170 PolarHBondContact OE2-NE1 3.11Å; E3136-W3170 VanDerWaalsContact OE2-NE1 3.11Å; L3138-W3170 HydrophobicContact CB-CD2 4.36Å; L3138-W3170 HydrophobicContact CB-CG 4.1Å; L3138-W3170 HydrophobicContact CD1-CB 4.48Å; L3138-W3170 HydrophobicContact CD1-CD2 3.88Å; L3138-W3170 HydrophobicContact CD1-CE3 4.06Å; L3138-W3170 HydrophobicContact CD1-CG 4.04Å; L3138-W3170 HydrophobicContact CD1-CZ3 4.46Å; L3138-W3170 HydrophobicContact CG-CD2 4.46Å; A3148-W3170 HydrophobicContact CB-CH2 3.39Å; A3148-W3170 VanDerWaalsContact CB-CH2 3.44Å; A3148-W3170 HydrophobicContact CB-CZ2 3.74Å; A3148-W3170 HydrophobicContact CB-CZ3 3.89Å; L3152-W3170 HydrophobicContact CD1-CH2 4.08Å; L3152-W3170 HydrophobicContact CD1-CZ2 4.15Å; L3152-W3170 HydrophobicContact CD2-CH2 4.35Å; L3152-W3170 HydrophobicContact CG-CH2 4.22Å; Q3166-W3170 WeakPolarHBondContact O-CB 3.34Å; Q3166-W3170 PolarHBondContact O-N 3.04Å; S3167-W3170 PolarHBondContact O-N 3.4Å; M3168-W3170 VanDerWaalsContact C-N 3.32Å; M3168-W3170 PolarHBondContact O-N 2.89Å; W3170-V3172 PolarHBondContact O-N 3.16Å; W3170-K3173 PolarHBondContact O-N 3.23Å; W3170-H3174 HydrophobicContact CZ2-CB 4.41Å; W3170-H3174 WeakPolarHBondContact O-CB 3.42Å; W3170-H3174 PolarHBondContact O-N 3.24Å
3171L89.6Confident83Confident14.2 Ų14.275.3 Ų75.37%0.07439%0.391CS..Hα-helixtrans-62.6-42.4-174.3-17563.6000112.2V3151 L3160 S3167 M3168 H3174 L3175 I3206V3151-L3171 HydrophobicContact CG1-CD1 3.9Å; V3151-L3171 HydrophobicContact CG1-CD2 4.37Å; L3160-L3171 HydrophobicContact CD1-CD2 3.96Å; S3167-L3171 VanDerWaalsContact O-CB 3.25Å; S3167-L3171 WeakPolarHBondContact O-CB 3.45Å; S3167-L3171 PolarHBondContact O-N 3.12Å; M3168-L3171 PolarHBondContact O-N 3.18Å; L3171-H3174 PolarHBondContact O-N 3.08Å; L3171-L3175 HydrophobicContact CD1-CD1 3.64Å; L3171-L3175 HydrophobicContact CD1-CG 4.04Å; L3171-L3175 HydrophobicContact CD2-CD1 4.45Å; L3171-L3175 HydrophobicContact CG-CD1 3.74Å; L3171-L3175 HydrophobicContact CG-CG 4.42Å; L3171-L3175 WeakPolarHBondContact O-CB 3.39Å; L3171-L3175 VanDerWaalsContact O-CG 3.31Å; L3171-L3175 WeakPolarHBondContact O-CG 3.36Å; L3171-L3175 PolarHBondContact O-N 3.21Å; L3171-I3206 HydrophobicContact CD2-CD1 4.08Å; L3171-I3206 HydrophobicContact CD2-CG1 4.48Å; L3171-I3206 HydrophobicContact CG-CD1 4.09Å
3172V88.4Confident83.2Confident29.2 Ų29.270.5 Ų70.518%0.17736%0.364CS..Hα-helixtrans-58.4-52.6174.2172.40000110.2M3168 W3170 H3174 L3175 E3176 V3181 A3183 I3206M3168-V3172 WeakPolarHBondContact O-CG2 3.44Å; M3168-V3172 PolarHBondContact O-N 3.19Å; M3168-V3172 VanDerWaalsContact O-N 3.07Å; M3168-V3172 HydrophobicContact SD-CG2 3.93Å; W3170-V3172 PolarHBondContact O-N 3.16Å; V3172-H3174 VanDerWaalsContact C-N 3.29Å; V3172-H3174 PolarHBondContact O-N 3.29Å; V3172-L3175 PolarHBondContact O-N 3.24Å; V3172-E3176 HydrophobicContact CG1-CG 4.26Å; V3172-E3176 WeakPolarHBondContact CG1-OE1 3.44Å; V3172-E3176 WeakPolarHBondContact O-CB 3.26Å; V3172-E3176 VanDerWaalsContact O-CG 3.27Å; V3172-E3176 WeakPolarHBondContact O-CG 3.38Å; V3172-E3176 PolarHBondContact O-N 3.1Å; V3172-V3181 HydrophobicContact CG1-CG1 4.47Å; V3172-V3181 HydrophobicContact CG2-CG1 4.32Å; V3172-A3183 HydrophobicContact CG2-CB 4.43Å; V3172-I3206 HydrophobicContact CG2-CD1 3.74Å
3173K87.6Confident83.5Confident101.6 Ų101.671.3 Ų71.344%0.44238%0.376SS..Hα-helixtrans-63.9-31.4-178.2-175178.6173.7-173.30113.2R3135 E3136 A3169 W3170R3135-K3173 PolarHBondContact O-NZ 3.21Å; E3136-K3173 HydrophobicContact CB-CD 4.31Å; E3136-K3173 HydrophobicContact CG-CD 4.41Å; E3136-K3173 HydrophobicContact CG-CG 4.43Å; E3136-K3173 WeakPolarHBondContact O-CD 3.42Å; E3136-K3173 WeakPolarHBondContact O-CE 3.42Å; E3136-K3173 PolarHBondContact O-NZ 3.36Å; A3169-K3173 WeakPolarHBondContact O-CB 3.24Å; A3169-K3173 PolarHBondContact O-N 3.14Å; W3170-K3173 PolarHBondContact O-N 3.23Å
3174H88.8Confident84.2Confident29 Ų2965.9 Ų65.913%0.13434%0.34CS..Hα-helixtrans-71.4-51.6176.3-169.877.7000111.1F3133 E3136 W3170 L3171 V3172 E3176 K3177F3133-H3174 AromaticContact CD1-CE1 3.98Å; F3133-H3174 AromaticContact CD1-ND1 3.98Å; F3133-H3174 AromaticContact CE1-CE1 3.58Å; F3133-H3174 VanDerWaalsContact CE1-CE1 3.47Å; F3133-H3174 WeakPolarHBondContact CE1-CE1 3.42Å; F3133-H3174 AromaticContact CE1-ND1 3.93Å; F3133-H3174 AromaticContact CE1-NE2 3.92Å; E3136-H3174 VanDerWaalsContact CD-ND1 3.28Å; E3136-H3174 IonicContact OE1-CE1 3.81Å; E3136-H3174 IonicContact OE1-ND1 3.63Å; E3136-H3174 PolarHBondContact OE1-ND1 3.15Å; E3136-H3174 VanDerWaalsContact OE1-ND1 3.17Å; E3136-H3174 WeakPolarHBondContact OE2-CB 3.42Å; E3136-H3174 IonicContact OE2-CE1 3.36Å; E3136-H3174 IonicContact OE2-CG 3.27Å; E3136-H3174 IonicContact OE2-ND1 3.3Å; E3136-H3174 PolarHBondContact OE2-ND1 3.13Å; W3170-H3174 HydrophobicContact CZ2-CB 4.41Å; W3170-H3174 WeakPolarHBondContact O-CB 3.42Å; W3170-H3174 PolarHBondContact O-N 3.24Å; L3171-H3174 PolarHBondContact O-N 3.08Å; V3172-H3174 VanDerWaalsContact C-N 3.29Å; V3172-H3174 PolarHBondContact O-N 3.29Å; H3174-E3176 PolarHBondContact O-N 3.16Å; H3174-K3177 WeakPolarHBondContact O-CB 3.29Å; H3174-K3177 WeakPolarHBondContact O-CG 3.4Å; H3174-K3177 PolarHBondContact O-N 2.91Å
3175L87.8Confident84.7Confident25.8 Ų25.863.9 Ų63.914%0.13533%0.326CS..Hα-helixtrans-73.8-26.6-173.8-67.6172.7000113.8L3152 L3171 V3172 K3177 E3178 S3179 V3181 T3204 I3206L3152-L3175 HydrophobicContact CD2-CD2 4.14Å; L3171-L3175 HydrophobicContact CD1-CD1 3.64Å; L3171-L3175 HydrophobicContact CD1-CG 4.04Å; L3171-L3175 HydrophobicContact CD2-CD1 4.45Å; L3171-L3175 HydrophobicContact CG-CD1 3.74Å; L3171-L3175 HydrophobicContact CG-CG 4.42Å; L3171-L3175 WeakPolarHBondContact O-CB 3.39Å; L3171-L3175 VanDerWaalsContact O-CG 3.31Å; L3171-L3175 WeakPolarHBondContact O-CG 3.36Å; L3171-L3175 PolarHBondContact O-N 3.21Å; V3172-L3175 PolarHBondContact O-N 3.24Å; L3175-K3177 PolarHBondContact O-N 2.97Å; L3175-K3177 VanDerWaalsContact O-N 3.11Å; L3175-E3178 PolarHBondContact O-N 3.25Å; L3175-E3178 VanDerWaalsContact O-N 3.11Å; L3175-S3179 PolarHBondContact O-N 3.08Å; L3175-S3179 VanDerWaalsContact O-O 3.08Å; L3175-S3179 PolarHBondContact O-OG 3.35Å; L3175-V3181 VanDerWaalsContact C-CG2 3.49Å; L3175-V3181 HydrophobicContact CB-CG2 3.44Å; L3175-V3181 VanDerWaalsContact CB-CG2 3.43Å; L3175-T3204 HydrophobicContact CD1-CG2 3.92Å; L3175-I3206 HydrophobicContact CD1-CD1 4.31Å
3176E85.2Confident85.1Confident121.6 Ų121.658.8 Ų58.857%0.56830%0.302SS*.THydrogen-bonded Turntrans-58.8-17.8174.8-83.8179.6167.200113.7V3172 H3174 S3179 V3181V3172-E3176 HydrophobicContact CG1-CG 4.26Å; V3172-E3176 WeakPolarHBondContact CG1-OE1 3.44Å; V3172-E3176 WeakPolarHBondContact O-CB 3.26Å; V3172-E3176 VanDerWaalsContact O-CG 3.27Å; V3172-E3176 WeakPolarHBondContact O-CG 3.38Å; V3172-E3176 PolarHBondContact O-N 3.1Å; H3174-E3176 PolarHBondContact O-N 3.16Å; E3176-S3179 WeakPolarHBondContact CA-O 3.39Å; E3176-V3181 HydrophobicContact CB-CG2 4.47Å; E3176-V3181 HydrophobicContact CG-CB 4.11Å; E3176-V3181 HydrophobicContact CG-CG2 3.99Å
3177K79.7Confident85.1Confident138.8 Ų138.860.1 Ų60.160%0.60331%0.306SS*.THydrogen-bonded Turntrans-74.6-31.7175.5-63.2176.3178.5178.30113.1E3136 H3174 L3175E3136-K3177 WeakPolarHBondContact OE1-CE 3.32Å; E3136-K3177 IonicContact OE1-NZ 3.22Å; E3136-K3177 PolarHBondContact OE1-NZ 3.18Å; H3174-K3177 WeakPolarHBondContact O-CB 3.29Å; H3174-K3177 WeakPolarHBondContact O-CG 3.4Å; H3174-K3177 PolarHBondContact O-N 2.91Å; L3175-K3177 PolarHBondContact O-N 2.97Å; L3175-K3177 VanDerWaalsContact O-N 3.11Å
3178E74.2Confident85.1Confident161.8 Ų161.861.9 Ų61.976%0.75631%0.314SS*.THydrogen-bonded Turntrans-103.4-37.2-173.6-63-171.6165.400112.2L3175L3175-E3178 PolarHBondContact O-N 3.25Å; L3175-E3178 VanDerWaalsContact O-N 3.11Å
3179S76Confident84.9Confident35.6 Ų35.664 Ų6425%0.24934%0.339CS..SBendtrans-143.3165.7-174.177.80000112.3L3175 E3176 V3181 T3204L3175-S3179 PolarHBondContact O-N 3.08Å; L3175-S3179 VanDerWaalsContact O-O 3.08Å; L3175-S3179 PolarHBondContact O-OG 3.35Å; E3176-S3179 WeakPolarHBondContact CA-O 3.39Å; S3179-V3181 PolarHBondContact O-N 3.09Å; S3179-T3204 WeakPolarHBondContact OG-CB 3.31Å; S3179-T3204 PolarHBondContact OG-OG1 3.01Å
3180K83.3Confident84.8Confident158.2 Ų158.265.9 Ų65.969%0.68834%0.341SS*.  trans-73.9116.9167.9-72.8-177.1179.4177.60108.7K3203 T3204K3180-K3203 HydrophobicContact CB-CG 4.27Å; K3180-K3203 WeakPolarHBondContact O-CA 3.47Å; K3180-K3203 WeakPolarHBondContact O-CB 3.35Å; K3180-T3204 PolarHBondContact O-N 3.2Å; K3180-T3204 VanDerWaalsContact O-N 3.09Å
3181V87.5Confident84.7Confident26.6 Ų26.666.2 Ų66.216%0.16134%0.342CS..EExtended strand (participates in β ladder)trans-95.8138.9177.7-174.70000109.9V3172 L3175 E3176 S3179 T3204 I3206V3172-V3181 HydrophobicContact CG1-CG1 4.47Å; V3172-V3181 HydrophobicContact CG2-CG1 4.32Å; L3175-V3181 VanDerWaalsContact C-CG2 3.49Å; L3175-V3181 HydrophobicContact CB-CG2 3.44Å; L3175-V3181 VanDerWaalsContact CB-CG2 3.43Å; E3176-V3181 HydrophobicContact CB-CG2 4.47Å; E3176-V3181 HydrophobicContact CG-CB 4.11Å; E3176-V3181 HydrophobicContact CG-CG2 3.99Å; S3179-V3181 PolarHBondContact O-N 3.09Å; V3181-T3204 CarbonylContact C-O 3.54Å; V3181-T3204 VanDerWaalsContact CA-O 3.3Å; V3181-T3204 WeakPolarHBondContact CA-O 3.27Å; V3181-I3206 HydrophobicContact CG1-CD1 3.62Å; V3181-I3206 HydrophobicContact CG1-CG1 4.06Å
3182E86.4Confident84.4Confident42 Ų4267.1 Ų67.120%0.19635%0.348CS..EExtended strand (participates in β ladder)trans-128.1120.7172.4-151.5160.9176.400109V3184 Q3194 S3198 K3203 T3204 L3205 I3206E3182-V3184 HydrophobicContact CG-CG2 4.13Å; E3182-Q3194 PolarHBondContact OE1-NE2 3.02Å; E3182-Q3194 VanDerWaalsContact OE1-NE2 3.16Å; E3182-Q3194 PolarHBondContact OE1-OE1 3.42Å; E3182-Q3194 PolarHBondContact OE2-OE1 2.93Å; E3182-Q3194 VanDerWaalsContact OE2-OE1 3.14Å; E3182-S3198 PolarHBondContact OE2-OG 3.44Å; E3182-K3203 HydrophobicContact CG-CD 4.25Å; E3182-K3203 WeakPolarHBondContact OE1-CD 3.44Å; E3182-K3203 IonicContact OE1-NZ 2.89Å; E3182-K3203 PolarHBondContact OE1-NZ 3.38Å; E3182-K3203 WeakPolarHBondContact OE2-CD 3.28Å; E3182-K3203 IonicContact OE2-NZ 3.72Å; E3182-K3203 PolarHBondContact OE2-NZ 3.08Å; E3182-T3204 PolarHBondContact N-O 3.15Å; E3182-L3205 HydrophobicContact CB-CD1 4.26Å; E3182-L3205 CarbonylContact O-C 3.56Å; E3182-L3205 WeakPolarHBondContact O-CA 3.44Å; E3182-I3206 PolarHBondContact O-N 3.03Å
3183A87.7Confident84.3Confident48.2 Ų48.269.2 Ų69.240%0.39836%0.361SS..EExtended strand (participates in β ladder)trans-104.5121.7178.700000110M3168 V3172 I3206 F3208M3168-A3183 HydrophobicContact SD-CB 4.38Å; V3172-A3183 HydrophobicContact CG2-CB 4.43Å; A3183-I3206 CarbonylContact C-O 3.6Å; A3183-I3206 WeakPolarHBondContact CA-O 3.34Å; A3183-I3206 HydrophobicContact CB-CB 4.42Å; A3183-F3208 HydrophobicContact CB-CE1 4.41Å
3184V89.4Confident84.1Confident7.8 Ų7.866.8 Ų66.85%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-137136.4-174.8143.90000110.9E3182 N3188 Y3191 Q3194 L3205 I3206 L3207 F3208E3182-V3184 HydrophobicContact CG-CG2 4.13Å; V3184-N3188 HydrophobicContact CG1-CB 4.22Å; V3184-N3188 HydrophobicContact CG2-CB 3.94Å; V3184-Y3191 HydrophobicContact CG1-CD2 4.32Å; V3184-Q3194 HydrophobicContact CG1-CB 4.35Å; V3184-Q3194 HydrophobicContact CG2-CB 4.09Å; V3184-Q3194 VanDerWaalsContact CG2-CD 3.41Å; V3184-Q3194 HydrophobicContact CG2-CG 4.27Å; V3184-L3205 HydrophobicContact CB-CD1 4.25Å; V3184-L3205 HydrophobicContact CG1-CD1 3.77Å; V3184-L3205 HydrophobicContact CG1-CG 4.48Å; V3184-L3205 HydrophobicContact CG2-CD1 3.77Å; V3184-I3206 PolarHBondContact N-O 3.27Å; V3184-L3207 HydrophobicContact CB-CD2 4.24Å; V3184-L3207 HydrophobicContact CG1-CD2 3.46Å; V3184-L3207 VanDerWaalsContact CG1-CD2 3.46Å; V3184-L3207 VanDerWaalsContact O-CA 3.31Å; V3184-L3207 WeakPolarHBondContact O-CA 3.35Å; V3184-L3207 WeakPolarHBondContact O-CD2 3.17Å; V3184-F3208 VanDerWaalsContact C-CD1 3.42Å; V3184-F3208 WeakPolarHBondContact O-CD1 3.35Å; V3184-F3208 PolarHBondContact O-N 3.04Å; V3184-F3208 VanDerWaalsContact O-N 3.12Å
3185S87.3Confident84Confident18.4 Ų18.466 Ų6613%0.12935%0.348CS..EExtended strand (participates in β ladder)trans-71.9134.9172.4-177.20000109.7K3187 N3188 F3208 D3209S3185-K3187 PolarHBondContact O-N 3.15Å; S3185-K3187 VanDerWaalsContact O-N 3.14Å; S3185-K3187 WeakPolarHBondContact OG-CB 3.36Å; S3185-K3187 PolarHBondContact OG-N 3.28Å; S3185-N3188 VanDerWaalsContact O-CB 3.26Å; S3185-N3188 WeakPolarHBondContact O-CB 3.38Å; S3185-N3188 PolarHBondContact O-N 2.98Å; S3185-F3208 WeakPolarHBondContact CA-O 3.35Å; S3185-F3208 VanDerWaalsContact CB-CE2 3.49Å; S3185-F3208 VanDerWaalsContact N-CE1 3.31Å; S3185-D3209 WeakPolarHBondContact CB-OD2 3.29Å; S3185-D3209 VanDerWaalsContact OG-CB 3.29Å; S3185-D3209 WeakPolarHBondContact OG-CB 3.38Å; S3185-D3209 PolarHBondContact OG-OD2 3.04Å
3186Q85.9Confident83.7Confident28.6 Ų28.669.7 Ų69.713%0.13436%0.364CS..THydrogen-bonded Turntrans-61-21.5172.3-168.9-176.78.400111.9N3188 Y3191 F3208 V3210 G3212 D3214Q3186-N3188 VanDerWaalsContact C-N 3.26Å; Q3186-N3188 PolarHBondContact O-N 3.28Å; Q3186-Y3191 HydrophobicContact CG-CD1 4.15Å; Q3186-Y3191 HydrophobicContact CG-CE1 4.25Å; Q3186-Y3191 HydrophobicContact CG-CE2 4.45Å; Q3186-Y3191 VanDerWaalsContact O-CD1 3.25Å; Q3186-Y3191 WeakPolarHBondContact O-CD1 3.42Å; Q3186-F3208 PolarHBondContact N-O 2.89Å; Q3186-V3210 HydrophobicContact CB-CG2 4.41Å; Q3186-V3210 VanDerWaalsContact OE1-CA 3.26Å; Q3186-V3210 VanDerWaalsContact OE1-CG1 3.29Å; Q3186-G3212 PolarHBondContact NE2-O 3.15Å; Q3186-G3212 PolarHBondContact OE1-O 3.1Å; Q3186-D3214 PolarHBondContact NE2-OD2 3.38Å
3187K80.9Confident83.6Confident125.6 Ų125.666.8 Ų66.855%0.54635%0.352SS..THydrogen-bonded Turntrans-75.4-10.7175.3-61.5175-178.5166.20113.3S3185 A3189 D3209 E3621S3185-K3187 PolarHBondContact O-N 3.15Å; S3185-K3187 VanDerWaalsContact O-N 3.14Å; S3185-K3187 WeakPolarHBondContact OG-CB 3.36Å; S3185-K3187 PolarHBondContact OG-N 3.28Å; K3187-A3189 PolarHBondContact O-N 3.08Å; K3187-D3209 HydrophobicContact CD-CB 4.05Å; K3187-D3209 HydrophobicContact CG-CB 4.2Å; K3187-D3209 VanDerWaalsContact NZ-CG 3.32Å; K3187-D3209 IonicContact NZ-OD1 3.1Å; K3187-D3209 PolarHBondContact NZ-OD1 2.7Å; K3187-E3621 IonicContact NZ-OE2 3.97Å; K3187-E3621 PolarHBondContact NZ-OE2 2.83Å
3188N83.7Confident83.8Confident69.6 Ų69.660.3 Ų60.337%0.37233%0.325SS..SBendtrans-73.3126.1178.3-173.6-13.3000110.2V3184 S3185 Q3186 N3190 Y3191 Q3194V3184-N3188 HydrophobicContact CG1-CB 4.22Å; V3184-N3188 HydrophobicContact CG2-CB 3.94Å; S3185-N3188 VanDerWaalsContact O-CB 3.26Å; S3185-N3188 WeakPolarHBondContact O-CB 3.38Å; S3185-N3188 PolarHBondContact O-N 2.98Å; Q3186-N3188 VanDerWaalsContact C-N 3.26Å; Q3186-N3188 PolarHBondContact O-N 3.28Å; N3188-N3190 PolarHBondContact O-N 3.26Å; N3188-N3190 VanDerWaalsContact O-N 3.12Å; N3188-N3190 PolarHBondContact OD1-N 3.06Å; N3188-N3190 VanDerWaalsContact OD1-N 3.13Å; N3188-Y3191 WeakPolarHBondContact O-CB 3.44Å; N3188-Y3191 VanDerWaalsContact O-CD1 3.32Å; N3188-Y3191 WeakPolarHBondContact O-CD1 3.45Å; N3188-Y3191 PolarHBondContact O-N 2.98Å; N3188-Q3194 PolarHBondContact ND2-OE1 3.06Å
3189A79.2Confident84.2Confident94.2 Ų94.256.6 Ų56.678%0.77931%0.309SS*.THydrogen-bonded Turntrans-55.8-27.3178.400000113.6K3187 Y3191K3187-A3189 PolarHBondContact O-N 3.08Å; A3189-Y3191 VanDerWaalsContact C-N 3.33Å
3190N83.3Confident84.1Confident101.2 Ų101.262.7 Ų62.754%0.54133%0.327SS..THydrogen-bonded Turntrans-93.76.6-179.6-63.4-16.3000113.7N3188 V3192 T3193 Q3194N3188-N3190 PolarHBondContact O-N 3.26Å; N3188-N3190 VanDerWaalsContact O-N 3.12Å; N3188-N3190 PolarHBondContact OD1-N 3.06Å; N3188-N3190 VanDerWaalsContact OD1-N 3.13Å; N3190-V3192 VanDerWaalsContact C-N 3.29Å; N3190-V3192 PolarHBondContact O-N 3.08Å; N3190-T3193 WeakPolarHBondContact O-CB 3.36Å; N3190-T3193 PolarHBondContact O-N 3.23Å; N3190-T3193 VanDerWaalsContact O-N 3.11Å; N3190-Q3194 WeakPolarHBondContact O-CG 3.37Å; N3190-Q3194 PolarHBondContact O-N 3.13Å; N3190-Q3194 VanDerWaalsContact O-N 3.11Å
3191Y86.8Confident84.1Confident12 Ų1261.9 Ų61.95%0.04732%0.324CS..Hα-helixtrans-60.2-36.9-175.2106.1-99.1000112.2V3184 Q3186 N3188 A3189 T3193 Q3194 L3195 L3207 D3214 V3216 L3217V3184-Y3191 HydrophobicContact CG1-CD2 4.32Å; Q3186-Y3191 HydrophobicContact CG-CD1 4.15Å; Q3186-Y3191 HydrophobicContact CG-CE1 4.25Å; Q3186-Y3191 HydrophobicContact CG-CE2 4.45Å; Q3186-Y3191 VanDerWaalsContact O-CD1 3.25Å; Q3186-Y3191 WeakPolarHBondContact O-CD1 3.42Å; N3188-Y3191 WeakPolarHBondContact O-CB 3.44Å; N3188-Y3191 VanDerWaalsContact O-CD1 3.32Å; N3188-Y3191 WeakPolarHBondContact O-CD1 3.45Å; N3188-Y3191 PolarHBondContact O-N 2.98Å; A3189-Y3191 VanDerWaalsContact C-N 3.33Å; Y3191-T3193 VanDerWaalsContact C-N 3.33Å; Y3191-T3193 PolarHBondContact O-N 3.26Å; Y3191-Q3194 CarbonylContact O-C 3.55Å; Y3191-Q3194 WeakPolarHBondContact O-CA 3.45Å; Y3191-Q3194 WeakPolarHBondContact O-CB 3.5Å; Y3191-Q3194 PolarHBondContact O-N 3.29Å; Y3191-Q3194 VanDerWaalsContact O-N 3.16Å; Y3191-L3195 HydrophobicContact CE2-CB 4.29Å; Y3191-L3195 WeakPolarHBondContact O-CB 3.4Å; Y3191-L3195 PolarHBondContact O-N 3.12Å; Y3191-L3207 HydrophobicContact CD2-CD1 4.46Å; Y3191-L3207 HydrophobicContact CD2-CD2 4.01Å; Y3191-L3207 HydrophobicContact CE2-CD1 3.98Å; Y3191-L3207 HydrophobicContact CE2-CD2 3.37Å; Y3191-L3207 HydrophobicContact CE2-CG 4.1Å; Y3191-D3214 VanDerWaalsContact OH-CB 3.31Å; Y3191-D3214 WeakPolarHBondContact OH-CB 3.43Å; Y3191-D3214 PolarHBondContact OH-OD2 3.02Å; Y3191-D3214 VanDerWaalsContact OH-OD2 3.06Å; Y3191-V3216 VanDerWaalsContact OH-CG1 3.27Å; Y3191-V3216 WeakPolarHBondContact OH-CG1 3.45Å; Y3191-L3217 HydrophobicContact CE2-CD2 4.48Å; Y3191-L3217 WeakPolarHBondContact OH-CD1 3.46Å; Y3191-L3217 WeakPolarHBondContact OH-CD2 3.32Å; Y3191-L3217 WeakPolarHBondContact OH-CG 3.47Å
3192V84.4Confident83.7Confident32.4 Ų32.463.7 Ų63.720%0.19635%0.347CS..Hα-helixtrans-65.3-41.2178.5-177.40000111.1P2568 N3190 Q3194 L3195 E3196 V3216P2568-V3192 HydrophobicContact CB-CB 4.37Å; P2568-V3192 HydrophobicContact CB-CG1 4.41Å; P2568-V3192 HydrophobicContact CB-CG2 4.12Å; P2568-V3192 HydrophobicContact CG-CB 3.81Å; P2568-V3192 HydrophobicContact CG-CG1 3.36Å; P2568-V3192 HydrophobicContact CG-CG2 3.85Å; N3190-V3192 VanDerWaalsContact C-N 3.29Å; N3190-V3192 PolarHBondContact O-N 3.08Å; V3192-Q3194 VanDerWaalsContact C-N 3.27Å; V3192-Q3194 PolarHBondContact O-N 2.91Å; V3192-L3195 WeakPolarHBondContact O-CA 3.33Å; V3192-L3195 WeakPolarHBondContact O-CB 3.23Å; V3192-L3195 PolarHBondContact O-N 3.24Å; V3192-L3195 VanDerWaalsContact O-N 3.12Å; V3192-E3196 HydrophobicContact CG1-CG 4.36Å; V3192-E3196 WeakPolarHBondContact O-CG 3.35Å; V3192-E3196 PolarHBondContact O-N 3.12Å; V3192-V3216 HydrophobicContact CG1-CG1 4.15Å; V3192-V3216 HydrophobicContact CG1-CG2 4.41Å
3193T84.3Confident83.7Confident74.6 Ų74.664.5 Ų64.546%0.45835%0.35SS..Hα-helixtrans-62.3-40.2174.4-480000110.9N3190 Y3191 L3195 E3196 L3197N3190-T3193 WeakPolarHBondContact O-CB 3.36Å; N3190-T3193 PolarHBondContact O-N 3.23Å; N3190-T3193 VanDerWaalsContact O-N 3.11Å; Y3191-T3193 VanDerWaalsContact C-N 3.33Å; Y3191-T3193 PolarHBondContact O-N 3.26Å; T3193-L3195 VanDerWaalsContact C-N 3.31Å; T3193-L3195 PolarHBondContact O-N 2.98Å; T3193-E3196 PolarHBondContact O-N 2.84Å; T3193-L3197 HydrophobicContact CG2-CD1 4.18Å; T3193-L3197 HydrophobicContact CG2-CG 4.42Å; T3193-L3197 VanDerWaalsContact O-CB 3.31Å; T3193-L3197 WeakPolarHBondContact O-CB 3.35Å; T3193-L3197 WeakPolarHBondContact O-CD1 3.24Å; T3193-L3197 VanDerWaalsContact O-CG 3.23Å; T3193-L3197 WeakPolarHBondContact O-CG 3.4Å; T3193-L3197 PolarHBondContact O-N 3.02Å
3194Q83.9Confident83.7Confident49.8 Ų49.864.7 Ų64.723%0.23335%0.346CS..Hα-helixtrans-68.7-33.8175.7-66.2-105.3-19.700112.9E3182 V3184 N3188 N3190 Y3191 V3192 L3197 S3198 L3205E3182-Q3194 PolarHBondContact OE1-NE2 3.02Å; E3182-Q3194 VanDerWaalsContact OE1-NE2 3.16Å; E3182-Q3194 PolarHBondContact OE1-OE1 3.42Å; E3182-Q3194 PolarHBondContact OE2-OE1 2.93Å; E3182-Q3194 VanDerWaalsContact OE2-OE1 3.14Å; V3184-Q3194 HydrophobicContact CG1-CB 4.35Å; V3184-Q3194 HydrophobicContact CG2-CB 4.09Å; V3184-Q3194 VanDerWaalsContact CG2-CD 3.41Å; V3184-Q3194 HydrophobicContact CG2-CG 4.27Å; N3188-Q3194 PolarHBondContact ND2-OE1 3.06Å; N3190-Q3194 WeakPolarHBondContact O-CG 3.37Å; N3190-Q3194 PolarHBondContact O-N 3.13Å; N3190-Q3194 VanDerWaalsContact O-N 3.11Å; Y3191-Q3194 CarbonylContact O-C 3.55Å; Y3191-Q3194 WeakPolarHBondContact O-CA 3.45Å; Y3191-Q3194 WeakPolarHBondContact O-CB 3.5Å; Y3191-Q3194 PolarHBondContact O-N 3.29Å; Y3191-Q3194 VanDerWaalsContact O-N 3.16Å; V3192-Q3194 VanDerWaalsContact C-N 3.27Å; V3192-Q3194 PolarHBondContact O-N 2.91Å; Q3194-L3197 PolarHBondContact O-N 3.12Å; Q3194-S3198 VanDerWaalsContact O-CB 3.25Å; Q3194-S3198 WeakPolarHBondContact O-CB 3.43Å; Q3194-S3198 PolarHBondContact O-N 2.97Å; Q3194-S3198 PolarHBondContact O-OG 3.02Å; Q3194-L3205 HydrophobicContact CB-CD1 4.49Å
3195L86.4Confident83.7Confident13 Ų1366.2 Ų66.27%0.06835%0.354CS..Hα-helixtrans-61.9-49.4170.9176.369.7000111.1Y3191 V3192 T3193 L3197 S3198 I3199 L3205 V3216 L3217 V3220Y3191-L3195 HydrophobicContact CE2-CB 4.29Å; Y3191-L3195 WeakPolarHBondContact O-CB 3.4Å; Y3191-L3195 PolarHBondContact O-N 3.12Å; V3192-L3195 WeakPolarHBondContact O-CA 3.33Å; V3192-L3195 WeakPolarHBondContact O-CB 3.23Å; V3192-L3195 PolarHBondContact O-N 3.24Å; V3192-L3195 VanDerWaalsContact O-N 3.12Å; T3193-L3195 VanDerWaalsContact C-N 3.31Å; T3193-L3195 PolarHBondContact O-N 2.98Å; L3195-L3197 VanDerWaalsContact C-N 3.33Å; L3195-L3197 PolarHBondContact O-N 3.35Å; L3195-S3198 PolarHBondContact O-N 3.17Å; L3195-S3198 VanDerWaalsContact O-N 3.11Å; L3195-I3199 HydrophobicContact CD1-CD1 4Å; L3195-I3199 HydrophobicContact CD1-CG1 4.44Å; L3195-I3199 HydrophobicContact CG-CD1 3.96Å; L3195-I3199 WeakPolarHBondContact O-CD1 3.31Å; L3195-I3199 VanDerWaalsContact O-CG1 3.29Å; L3195-I3199 WeakPolarHBondContact O-CG1 3.33Å; L3195-I3199 PolarHBondContact O-N 3.3Å; L3195-L3205 HydrophobicContact CB-CD2 4.03Å; L3195-L3205 HydrophobicContact CD1-CD2 3.56Å; L3195-L3205 VanDerWaalsContact CD1-CD2 3.42Å; L3195-L3205 HydrophobicContact CG-CD2 4.43Å; L3195-V3216 HydrophobicContact CD2-CG1 4.22Å; L3195-V3216 HydrophobicContact CD2-CG2 4.36Å; L3195-L3217 HydrophobicContact CD1-CD2 4.23Å; L3195-L3217 HydrophobicContact CD2-CD2 3.76Å; L3195-V3220 HydrophobicContact CD2-CG2 4.39Å
3196E82.3Confident83.9Confident102.8 Ų102.866.2 Ų66.248%0.4835%0.353SS..Hα-helixtrans-59.8-46.1176.5-87.6-179.3-176.300112V3192 T3193 S3198 I3199 R3200V3192-E3196 HydrophobicContact CG1-CG 4.36Å; V3192-E3196 WeakPolarHBondContact O-CG 3.35Å; V3192-E3196 PolarHBondContact O-N 3.12Å; T3193-E3196 PolarHBondContact O-N 2.84Å; E3196-S3198 VanDerWaalsContact C-N 3.31Å; E3196-S3198 PolarHBondContact O-N 2.87Å; E3196-I3199 PolarHBondContact O-N 3.01Å; E3196-R3200 VanDerWaalsContact O-CB 3.25Å; E3196-R3200 WeakPolarHBondContact O-CB 3.38Å; E3196-R3200 VanDerWaalsContact O-CG 3.27Å; E3196-R3200 WeakPolarHBondContact O-CG 3.41Å; E3196-R3200 PolarHBondContact O-N 2.98Å; E3196-R3200 IonicContact OE1-CZ 2.94Å; E3196-R3200 IonicContact OE1-NE 2.67Å; E3196-R3200 PolarHBondContact OE1-NE 2.74Å; E3196-R3200 VanDerWaalsContact OE1-NE 3.17Å; E3196-R3200 IonicContact OE1-NH2 2.71Å; E3196-R3200 PolarHBondContact OE1-NH2 3.11Å; E3196-R3200 IonicContact OE2-CZ 3.33Å; E3196-R3200 IonicContact OE2-NH2 3.56Å; E3196-R3200 PolarHBondContact OE2-NH2 3.38Å
3197L82.7Confident84Confident60.6 Ų60.666.9 Ų66.932%0.31736%0.357SS..Hα-helixtrans-63.5-39.7176.7-67.7169.2000111.1T3193 Q3194 L3195 R3200 F3201T3193-L3197 HydrophobicContact CG2-CD1 4.18Å; T3193-L3197 HydrophobicContact CG2-CG 4.42Å; T3193-L3197 VanDerWaalsContact O-CB 3.31Å; T3193-L3197 WeakPolarHBondContact O-CB 3.35Å; T3193-L3197 WeakPolarHBondContact O-CD1 3.24Å; T3193-L3197 VanDerWaalsContact O-CG 3.23Å; T3193-L3197 WeakPolarHBondContact O-CG 3.4Å; T3193-L3197 PolarHBondContact O-N 3.02Å; Q3194-L3197 PolarHBondContact O-N 3.12Å; L3195-L3197 VanDerWaalsContact C-N 3.33Å; L3195-L3197 PolarHBondContact O-N 3.35Å; L3197-R3200 PolarHBondContact O-N 2.92Å; L3197-F3201 HydrophobicContact CB-CD2 4.29Å; L3197-F3201 HydrophobicContact CB-CE2 4.41Å; L3197-F3201 HydrophobicContact CD2-CD2 4.37Å; L3197-F3201 HydrophobicContact CD2-CE2 3.75Å; L3197-F3201 WeakPolarHBondContact O-CB 3.34Å; L3197-F3201 WeakPolarHBondContact O-CD2 3.4Å; L3197-F3201 PolarHBondContact O-N 3.15Å
3198S85Confident84.3Confident3.2 Ų3.264.4 Ų64.42%0.02235%0.346CS..Hα-helixtrans-66.2-43179.2-62.90000111.9E3182 Q3194 L3195 E3196 R3200 F3201 G3202 K3203E3182-S3198 PolarHBondContact OE2-OG 3.44Å; Q3194-S3198 VanDerWaalsContact O-CB 3.25Å; Q3194-S3198 WeakPolarHBondContact O-CB 3.43Å; Q3194-S3198 PolarHBondContact O-N 2.97Å; Q3194-S3198 PolarHBondContact O-OG 3.02Å; L3195-S3198 PolarHBondContact O-N 3.17Å; L3195-S3198 VanDerWaalsContact O-N 3.11Å; E3196-S3198 VanDerWaalsContact C-N 3.31Å; E3196-S3198 PolarHBondContact O-N 2.87Å; S3198-R3200 VanDerWaalsContact C-N 3.34Å; S3198-R3200 PolarHBondContact O-N 2.88Å; S3198-F3201 PolarHBondContact O-N 3.21Å; S3198-G3202 CarbonylContact O-C 3.57Å; S3198-G3202 WeakPolarHBondContact O-CA 3.38Å; S3198-G3202 PolarHBondContact O-N 3.07Å; S3198-K3203 PolarHBondContact O-N 3.16Å
3199I80.9Confident84.3Confident83.4 Ų83.464.6 Ų64.643%0.42835%0.347SS..Hα-helixtrans-62.8-47.2174.4-66.7164.3000110.5L3195 E3196 F3201 G3202 V3220 F3225L3195-I3199 HydrophobicContact CD1-CD1 4Å; L3195-I3199 HydrophobicContact CD1-CG1 4.44Å; L3195-I3199 HydrophobicContact CG-CD1 3.96Å; L3195-I3199 WeakPolarHBondContact O-CD1 3.31Å; L3195-I3199 VanDerWaalsContact O-CG1 3.29Å; L3195-I3199 WeakPolarHBondContact O-CG1 3.33Å; L3195-I3199 PolarHBondContact O-N 3.3Å; E3196-I3199 PolarHBondContact O-N 3.01Å; I3199-F3201 VanDerWaalsContact C-N 3.34Å; I3199-F3201 PolarHBondContact O-N 3.25Å; I3199-G3202 PolarHBondContact O-N 3.31Å; I3199-V3220 HydrophobicContact CD1-CG1 4.31Å; I3199-V3220 HydrophobicContact CD1-CG2 3.89Å; I3199-F3225 HydrophobicContact CD1-CE1 4.28Å; I3199-F3225 HydrophobicContact CG1-CE1 4.39Å; I3199-F3225 HydrophobicContact CG2-CD1 4.31Å; I3199-F3225 HydrophobicContact CG2-CE1 3.96Å
3200R75.7Confident84.5Confident163.8 Ų163.862.5 Ų62.562%0.61832%0.324SS*.Hα-helixtrans-64.9-37.2-178.9-106.5179.5-179.2-167.56.5113E3196 L3197 S3198E3196-R3200 VanDerWaalsContact O-CB 3.25Å; E3196-R3200 WeakPolarHBondContact O-CB 3.38Å; E3196-R3200 VanDerWaalsContact O-CG 3.27Å; E3196-R3200 WeakPolarHBondContact O-CG 3.41Å; E3196-R3200 PolarHBondContact O-N 2.98Å; E3196-R3200 IonicContact OE1-CZ 2.94Å; E3196-R3200 IonicContact OE1-NE 2.67Å; E3196-R3200 PolarHBondContact OE1-NE 2.74Å; E3196-R3200 VanDerWaalsContact OE1-NE 3.17Å; E3196-R3200 IonicContact OE1-NH2 2.71Å; E3196-R3200 PolarHBondContact OE1-NH2 3.11Å; E3196-R3200 IonicContact OE2-CZ 3.33Å; E3196-R3200 IonicContact OE2-NH2 3.56Å; E3196-R3200 PolarHBondContact OE2-NH2 3.38Å; L3197-R3200 PolarHBondContact O-N 2.92Å; S3198-R3200 VanDerWaalsContact C-N 3.34Å; S3198-R3200 PolarHBondContact O-N 2.88Å
3201F81.7Confident84.1Confident142.75 Ų142.7564.3 Ų64.363%0.62633%0.334SS*.Hα-helixtrans-1022.2-176.1-65.9-61.5000114.1L3197 S3198 I3199 K3203L3197-F3201 HydrophobicContact CB-CD2 4.29Å; L3197-F3201 HydrophobicContact CB-CE2 4.41Å; L3197-F3201 HydrophobicContact CD2-CD2 4.37Å; L3197-F3201 HydrophobicContact CD2-CE2 3.75Å; L3197-F3201 WeakPolarHBondContact O-CB 3.34Å; L3197-F3201 WeakPolarHBondContact O-CD2 3.4Å; L3197-F3201 PolarHBondContact O-N 3.15Å; S3198-F3201 PolarHBondContact O-N 3.21Å; I3199-F3201 VanDerWaalsContact C-N 3.34Å; I3199-F3201 PolarHBondContact O-N 3.25Å; F3201-K3203 VanDerWaalsContact C-N 3.32Å; F3201-K3203 HydrophobicContact CB-CD 4.39Å; F3201-K3203 HydrophobicContact CB-CG 4.16Å; F3201-K3203 PolarHBondContact O-N 3.17Å
3202G80.7Confident83.7Confident64 Ų6465.6 Ų65.666%0.6635%0.351SS*.THydrogen-bonded Turntrans63.935.5-178.200000113.4S3198 I3199S3198-G3202 CarbonylContact O-C 3.57Å; S3198-G3202 WeakPolarHBondContact O-CA 3.38Å; S3198-G3202 PolarHBondContact O-N 3.07Å; I3199-G3202 PolarHBondContact O-N 3.31Å
3203K85.5Confident83.5Confident59.5 Ų59.568.3 Ų68.326%0.25936%0.363SS..  trans-85.9149175.5-59.7177.8179.9175.20110.6K3180 E3182 S3198 F3201 L3205K3180-K3203 HydrophobicContact CB-CG 4.27Å; K3180-K3203 WeakPolarHBondContact O-CA 3.47Å; K3180-K3203 WeakPolarHBondContact O-CB 3.35Å; E3182-K3203 HydrophobicContact CG-CD 4.25Å; E3182-K3203 WeakPolarHBondContact OE1-CD 3.44Å; E3182-K3203 IonicContact OE1-NZ 2.89Å; E3182-K3203 PolarHBondContact OE1-NZ 3.38Å; E3182-K3203 WeakPolarHBondContact OE2-CD 3.28Å; E3182-K3203 IonicContact OE2-NZ 3.72Å; E3182-K3203 PolarHBondContact OE2-NZ 3.08Å; S3198-K3203 PolarHBondContact O-N 3.16Å; F3201-K3203 VanDerWaalsContact C-N 3.32Å; F3201-K3203 HydrophobicContact CB-CD 4.39Å; F3201-K3203 HydrophobicContact CB-CG 4.16Å; F3201-K3203 PolarHBondContact O-N 3.17Å; K3203-L3205 PolarHBondContact O-N 3.13Å
3204T87.9Confident83.3Confident51 Ų5167.1 Ų67.131%0.31335%0.354SS..EExtended strand (participates in β ladder)trans-83.5112172.3-54.10000109.6L3175 S3179 K3180 V3181 E3182L3175-T3204 HydrophobicContact CD1-CG2 3.92Å; S3179-T3204 WeakPolarHBondContact OG-CB 3.31Å; S3179-T3204 PolarHBondContact OG-OG1 3.01Å; K3180-T3204 PolarHBondContact O-N 3.2Å; K3180-T3204 VanDerWaalsContact O-N 3.09Å; V3181-T3204 CarbonylContact C-O 3.54Å; V3181-T3204 VanDerWaalsContact CA-O 3.3Å; V3181-T3204 WeakPolarHBondContact CA-O 3.27Å; E3182-T3204 PolarHBondContact N-O 3.15Å
3205L89.6Confident83.1Confident39.5 Ų39.567 Ų6721%0.20736%0.358CS..EExtended strand (participates in β ladder)trans-95.2127179.9-176.373.7000110.9E3182 V3184 Q3194 L3195 K3203 L3207E3182-L3205 HydrophobicContact CB-CD1 4.26Å; E3182-L3205 CarbonylContact O-C 3.56Å; E3182-L3205 WeakPolarHBondContact O-CA 3.44Å; V3184-L3205 HydrophobicContact CB-CD1 4.25Å; V3184-L3205 HydrophobicContact CG1-CD1 3.77Å; V3184-L3205 HydrophobicContact CG1-CG 4.48Å; V3184-L3205 HydrophobicContact CG2-CD1 3.77Å; Q3194-L3205 HydrophobicContact CB-CD1 4.49Å; L3195-L3205 HydrophobicContact CB-CD2 4.03Å; L3195-L3205 HydrophobicContact CD1-CD2 3.56Å; L3195-L3205 VanDerWaalsContact CD1-CD2 3.42Å; L3195-L3205 HydrophobicContact CG-CD2 4.43Å; K3203-L3205 PolarHBondContact O-N 3.13Å; L3205-L3207 HydrophobicContact CD1-CD2 4.13Å; L3205-L3207 HydrophobicContact CD2-CD1 4.44Å; L3205-L3207 HydrophobicContact CD2-CD2 3.85Å; L3205-L3207 HydrophobicContact CD2-CG 4.08Å; L3205-L3207 HydrophobicContact CG-CD2 4.09Å; L3205-L3207 HydrophobicContact CG-CG 4.27Å
3206I90.3Very high82.8Confident19.5 Ų19.568.5 Ų68.510%0.137%0.368CS..EExtended strand (participates in β ladder)trans-107.6116172.5-59175.6000108.4M3168 L3171 V3172 L3175 V3181 E3182 A3183 V3184M3168-I3206 HydrophobicContact CE-CG2 3.43Å; M3168-I3206 VanDerWaalsContact CE-CG2 3.43Å; M3168-I3206 HydrophobicContact CG-CG2 4.42Å; M3168-I3206 HydrophobicContact SD-CG2 3.75Å; L3171-I3206 HydrophobicContact CD2-CD1 4.08Å; L3171-I3206 HydrophobicContact CD2-CG1 4.48Å; L3171-I3206 HydrophobicContact CG-CD1 4.09Å; V3172-I3206 HydrophobicContact CG2-CD1 3.74Å; L3175-I3206 HydrophobicContact CD1-CD1 4.31Å; V3181-I3206 HydrophobicContact CG1-CD1 3.62Å; V3181-I3206 HydrophobicContact CG1-CG1 4.06Å; E3182-I3206 PolarHBondContact O-N 3.03Å; A3183-I3206 CarbonylContact C-O 3.6Å; A3183-I3206 WeakPolarHBondContact CA-O 3.34Å; A3183-I3206 HydrophobicContact CB-CB 4.42Å; V3184-I3206 PolarHBondContact N-O 3.27Å
3207L89Confident82.9Confident43.25 Ų43.2564.3 Ų64.323%0.22635%0.348CS..EExtended strand (participates in β ladder)trans-95.5122.4175.5-64.7177.6000110.4V3184 Y3191 L3205 V3210 L3217V3184-L3207 HydrophobicContact CB-CD2 4.24Å; V3184-L3207 HydrophobicContact CG1-CD2 3.46Å; V3184-L3207 VanDerWaalsContact CG1-CD2 3.46Å; V3184-L3207 VanDerWaalsContact O-CA 3.31Å; V3184-L3207 WeakPolarHBondContact O-CA 3.35Å; V3184-L3207 WeakPolarHBondContact O-CD2 3.17Å; Y3191-L3207 HydrophobicContact CD2-CD1 4.46Å; Y3191-L3207 HydrophobicContact CD2-CD2 4.01Å; Y3191-L3207 HydrophobicContact CE2-CD1 3.98Å; Y3191-L3207 HydrophobicContact CE2-CD2 3.37Å; Y3191-L3207 HydrophobicContact CE2-CG 4.1Å; L3205-L3207 HydrophobicContact CD1-CD2 4.13Å; L3205-L3207 HydrophobicContact CD2-CD1 4.44Å; L3205-L3207 HydrophobicContact CD2-CD2 3.85Å; L3205-L3207 HydrophobicContact CD2-CG 4.08Å; L3205-L3207 HydrophobicContact CG-CD2 4.09Å; L3205-L3207 HydrophobicContact CG-CG 4.27Å; L3207-V3210 HydrophobicContact CB-CG2 4.04Å; L3207-L3217 HydrophobicContact CD1-CD1 3.89Å; L3207-L3217 HydrophobicContact CD1-CD2 3.82Å; L3207-L3217 HydrophobicContact CD1-CG 4.42Å
3208F87.8Confident82.7Confident72.75 Ų72.7564.4 Ų64.432%0.31935%0.347SS..EExtended strand (participates in β ladder)trans-113.9170174.266.6-90.8000111.6M3168 A3183 V3184 S3185 Q3186 V3210M3168-F3208 HydrophobicContact CE-CB 3.95Å; M3168-F3208 HydrophobicContact CE-CD1 4.31Å; M3168-F3208 HydrophobicContact CE-CG 4.46Å; A3183-F3208 HydrophobicContact CB-CE1 4.41Å; V3184-F3208 VanDerWaalsContact C-CD1 3.42Å; V3184-F3208 WeakPolarHBondContact O-CD1 3.35Å; V3184-F3208 PolarHBondContact O-N 3.04Å; V3184-F3208 VanDerWaalsContact O-N 3.12Å; S3185-F3208 WeakPolarHBondContact CA-O 3.35Å; S3185-F3208 VanDerWaalsContact CB-CE2 3.49Å; S3185-F3208 VanDerWaalsContact N-CE1 3.31Å; Q3186-F3208 PolarHBondContact N-O 2.89Å; F3208-V3210 VanDerWaalsContact C-N 3.31Å; F3208-V3210 PolarHBondContact O-N 2.93Å
3209D82.8Confident82.3Confident72.75 Ų72.7566.8 Ų66.839%0.38937%0.367SS..SBendtrans58.434-171.5-60.3-43.4000114.6S3185 K3187 N3211S3185-D3209 WeakPolarHBondContact CB-OD2 3.29Å; S3185-D3209 VanDerWaalsContact OG-CB 3.29Å; S3185-D3209 WeakPolarHBondContact OG-CB 3.38Å; S3185-D3209 PolarHBondContact OG-OD2 3.04Å; K3187-D3209 HydrophobicContact CD-CB 4.05Å; K3187-D3209 HydrophobicContact CG-CB 4.2Å; K3187-D3209 VanDerWaalsContact NZ-CG 3.32Å; K3187-D3209 IonicContact NZ-OD1 3.1Å; K3187-D3209 PolarHBondContact NZ-OD1 2.7Å; D3209-N3211 PolarHBondContact O-N 3.14Å; D3209-N3211 VanDerWaalsContact O-N 3.13Å
3210V82.7Confident82.1Confident50.25 Ų50.2565.1 Ų65.131%0.30536%0.361SS..  trans-75.899.5-178-179.30000110.8L3159 Q3186 L3207 F3208 G3212L3159-V3210 HydrophobicContact CD1-CB 4.35Å; L3159-V3210 HydrophobicContact CD1-CG1 4.26Å; Q3186-V3210 HydrophobicContact CB-CG2 4.41Å; Q3186-V3210 VanDerWaalsContact OE1-CA 3.26Å; Q3186-V3210 VanDerWaalsContact OE1-CG1 3.29Å; L3207-V3210 HydrophobicContact CB-CG2 4.04Å; F3208-V3210 VanDerWaalsContact C-N 3.31Å; F3208-V3210 PolarHBondContact O-N 2.93Å; V3210-G3212 VanDerWaalsContact C-N 3.34Å
3211N76.4Confident82.2Confident139 Ų13959.8 Ų59.874%0.74334%0.344SS*.SBendtrans-82.2-21.8175-75.3-6.7000112.8D3209D3209-N3211 PolarHBondContact O-N 3.14Å; D3209-N3211 VanDerWaalsContact O-N 3.13Å
3212G77.6Confident81.8Confident39 Ų3958.6 Ų58.640%0.40234%0.336SS..SBendtrans-172.9159.2-177.600000110.4Q3186 V3210 D3214Q3186-G3212 PolarHBondContact NE2-O 3.15Å; Q3186-G3212 PolarHBondContact OE1-O 3.1Å; V3210-G3212 VanDerWaalsContact C-N 3.34Å; G3212-D3214 PolarHBondContact O-N 3.13Å
3213I80.6Confident80.9Confident89 Ų8960.8 Ų60.846%0.45633%0.332SS..  trans-78.5111.2-179.4-55.3172.4000108.2L3217 H3218 L3221 F3225I3213-L3217 HydrophobicContact CG2-CB 4.08Å; I3213-L3217 HydrophobicContact CG2-CD1 4.49Å; I3213-H3218 VanDerWaalsContact CG2-CE1 3.43Å; I3213-H3218 WeakPolarHBondContact CG2-CE1 3.49Å; I3213-H3218 WeakPolarHBondContact CG2-ND1 3.4Å; I3213-H3218 PolarHBondContact O-CE1 3.45Å; I3213-H3218 VanDerWaalsContact O-CE1 3.26Å; I3213-L3221 HydrophobicContact CB-CD1 4.45Å; I3213-L3221 HydrophobicContact CD1-CD1 4.4Å; I3213-L3221 HydrophobicContact CG1-CD1 4.48Å; I3213-L3221 HydrophobicContact CG2-CD1 3.63Å; I3213-F3225 HydrophobicContact CD1-CD2 4.27Å; I3213-F3225 HydrophobicContact CD1-CE2 3.34Å; I3213-F3225 HydrophobicContact CD1-CZ 3.89Å; I3213-F3225 HydrophobicContact CG1-CE2 3.77Å; I3213-F3225 HydrophobicContact CG1-CZ 3.77Å
3214D80.9Confident79.4Confident49.25 Ų49.2562.3 Ų62.326%0.26334%0.34SS..  trans-61.8137.9173-150.1-48.5000110Q3186 Y3191 G3212 V3216 L3217 H3218Q3186-D3214 PolarHBondContact NE2-OD2 3.38Å; Y3191-D3214 VanDerWaalsContact OH-CB 3.31Å; Y3191-D3214 WeakPolarHBondContact OH-CB 3.43Å; Y3191-D3214 PolarHBondContact OH-OD2 3.02Å; Y3191-D3214 VanDerWaalsContact OH-OD2 3.06Å; G3212-D3214 PolarHBondContact O-N 3.13Å; D3214-V3216 HydrophobicContact CB-CG1 4.27Å; D3214-V3216 PolarHBondContact O-N 3.16Å; D3214-V3216 VanDerWaalsContact O-N 3.16Å; D3214-V3216 WeakPolarHBondContact OD1-CB 3.3Å; D3214-V3216 WeakPolarHBondContact OD1-CG2 3.25Å; D3214-V3216 PolarHBondContact OD1-N 3.19Å; D3214-L3217 HydrophobicContact CB-CB 4.48Å; D3214-L3217 HydrophobicContact CB-CD1 4.31Å; D3214-L3217 HydrophobicContact CB-CG 4.3Å; D3214-L3217 WeakPolarHBondContact O-CA 3.39Å; D3214-L3217 WeakPolarHBondContact O-CB 3.27Å; D3214-L3217 PolarHBondContact O-N 3.03Å; D3214-H3218 PolarHBondContact O-N 3.13Å; D3214-H3218 PolarHBondContact O-ND1 3.19Å
3215P78.7Confident77.6Confident48.5 Ų48.563.9 Ų63.932%0.31534%0.343SS..THydrogen-bonded Turntrans-49.4-32.3176.8-29.434.6000114.9I2566 Y2600 L2603 L3217 H3218I2566-P3215 HydrophobicContact CB-CB 4.19Å; I2566-P3215 HydrophobicContact CD1-CB 3.55Å; I2566-P3215 HydrophobicContact CD1-CG 4.21Å; I2566-P3215 HydrophobicContact CG1-CB 4.44Å; I2566-P3215 HydrophobicContact CG2-CB 3.89Å; Y2600-P3215 HydrophobicContact CD2-CB 4.07Å; L2603-P3215 HydrophobicContact CD2-CB 4.35Å; L2603-P3215 HydrophobicContact CD2-CG 3.5Å; L2603-P3215 VanDerWaalsContact CD2-CG 3.48Å; L2603-P3215 HydrophobicContact CG-CG 4.43Å; P3215-L3217 VanDerWaalsContact C-N 3.25Å; P3215-L3217 PolarHBondContact O-N 3.29Å; P3215-H3218 VanDerWaalsContact CA-ND1 3.35Å; P3215-H3218 WeakPolarHBondContact CA-ND1 3.24Å; P3215-H3218 WeakPolarHBondContact O-CB 3.36Å; P3215-H3218 PolarHBondContact O-N 2.97Å; P3215-H3218 VanDerWaalsContact O-N 3.12Å; P3215-H3218 PolarHBondContact O-ND1 2.99Å
3216V80.8Confident75.4Confident45.25 Ų45.2567.4 Ų67.427%0.27436%0.361SS..THydrogen-bonded Turntrans-62.5-33177.2159.30000111.8I2566 P2568 Y3191 V3192 L3195 D3214 H3218I2566-V3216 HydrophobicContact CG2-CG2 4.15Å; P2568-V3216 HydrophobicContact CG-CG2 4.42Å; Y3191-V3216 VanDerWaalsContact OH-CG1 3.27Å; Y3191-V3216 WeakPolarHBondContact OH-CG1 3.45Å; V3192-V3216 HydrophobicContact CG1-CG1 4.15Å; V3192-V3216 HydrophobicContact CG1-CG2 4.41Å; L3195-V3216 HydrophobicContact CD2-CG1 4.22Å; L3195-V3216 HydrophobicContact CD2-CG2 4.36Å; D3214-V3216 HydrophobicContact CB-CG1 4.27Å; D3214-V3216 PolarHBondContact O-N 3.16Å; D3214-V3216 VanDerWaalsContact O-N 3.16Å; D3214-V3216 WeakPolarHBondContact OD1-CB 3.3Å; D3214-V3216 WeakPolarHBondContact OD1-CG2 3.25Å; D3214-V3216 PolarHBondContact OD1-N 3.19Å; V3216-H3218 VanDerWaalsContact C-N 3.29Å; V3216-H3218 PolarHBondContact O-N 3.17Å
3217L83.6Confident73.1Confident14.25 Ų14.2575.2 Ų75.28%0.07539%0.39CS..Hα-helixtrans-74.2-20.2178.6-63.3174.6000112.7Y3191 L3195 L3207 I3213 D3214 P3215 A3219 V3220 L3221Y3191-L3217 HydrophobicContact CE2-CD2 4.48Å; Y3191-L3217 WeakPolarHBondContact OH-CD1 3.46Å; Y3191-L3217 WeakPolarHBondContact OH-CD2 3.32Å; Y3191-L3217 WeakPolarHBondContact OH-CG 3.47Å; L3195-L3217 HydrophobicContact CD1-CD2 4.23Å; L3195-L3217 HydrophobicContact CD2-CD2 3.76Å; L3207-L3217 HydrophobicContact CD1-CD1 3.89Å; L3207-L3217 HydrophobicContact CD1-CD2 3.82Å; L3207-L3217 HydrophobicContact CD1-CG 4.42Å; I3213-L3217 HydrophobicContact CG2-CB 4.08Å; I3213-L3217 HydrophobicContact CG2-CD1 4.49Å; D3214-L3217 HydrophobicContact CB-CB 4.48Å; D3214-L3217 HydrophobicContact CB-CD1 4.31Å; D3214-L3217 HydrophobicContact CB-CG 4.3Å; D3214-L3217 WeakPolarHBondContact O-CA 3.39Å; D3214-L3217 WeakPolarHBondContact O-CB 3.27Å; D3214-L3217 PolarHBondContact O-N 3.03Å; P3215-L3217 VanDerWaalsContact C-N 3.25Å; P3215-L3217 PolarHBondContact O-N 3.29Å; L3217-A3219 VanDerWaalsContact C-N 3.31Å; L3217-A3219 PolarHBondContact O-N 3.18Å; L3217-V3220 CarbonylContact O-C 3.56Å; L3217-V3220 PolarHBondContact O-N 3.22Å; L3217-V3220 VanDerWaalsContact O-N 3.17Å; L3217-L3221 HydrophobicContact CB-CD1 3.89Å; L3217-L3221 HydrophobicContact CB-CG 4.28Å; L3217-L3221 HydrophobicContact CD1-CD1 4.18Å; L3217-L3221 HydrophobicContact CG-CD1 4.31Å; L3217-L3221 WeakPolarHBondContact O-CB 3.22Å; L3217-L3221 VanDerWaalsContact O-CG 3.25Å; L3217-L3221 WeakPolarHBondContact O-CG 3.28Å; L3217-L3221 PolarHBondContact O-N 3.15Å
3218H79.3Confident70.6Confident62.75 Ų62.7578.3 Ų78.329%0.29140%0.404SS..Hα-helixtrans-61.9-34.2-176.8-76.723.2000113.4Y2600 I3213 D3214 P3215 V3216 V3220 R3222Y2600-H3218 WeakPolarHBondContact CB-NE2 3.38Å; Y2600-H3218 AromaticContact CD1-CD2 3.84Å; Y2600-H3218 HydrophobicContact CD2-CB 3.91Å; Y2600-H3218 AromaticContact CD2-CD2 3.66Å; Y2600-H3218 AromaticContact CD2-CE1 3.97Å; Y2600-H3218 AromaticContact CD2-CG 3.49Å; Y2600-H3218 VanDerWaalsContact CD2-CG 3.49Å; Y2600-H3218 AromaticContact CD2-ND1 3.71Å; Y2600-H3218 AromaticContact CD2-NE2 3.99Å; Y2600-H3218 HydrophobicContact CE1-CB 4.41Å; Y2600-H3218 HydrophobicContact CE2-CB 3.56Å; Y2600-H3218 AromaticContact CE2-CG 3.71Å; Y2600-H3218 HydrophobicContact CG-CB 4.48Å; Y2600-H3218 AromaticContact CG-CD2 3.49Å; Y2600-H3218 VanDerWaalsContact CG-CD2 3.49Å; Y2600-H3218 AromaticContact CG-CG 3.84Å; Y2600-H3218 AromaticContact CG-NE2 3.71Å; I3213-H3218 VanDerWaalsContact CG2-CE1 3.43Å; I3213-H3218 WeakPolarHBondContact CG2-CE1 3.49Å; I3213-H3218 WeakPolarHBondContact CG2-ND1 3.4Å; I3213-H3218 PolarHBondContact O-CE1 3.45Å; I3213-H3218 VanDerWaalsContact O-CE1 3.26Å; D3214-H3218 PolarHBondContact O-N 3.13Å; D3214-H3218 PolarHBondContact O-ND1 3.19Å; P3215-H3218 VanDerWaalsContact CA-ND1 3.35Å; P3215-H3218 WeakPolarHBondContact CA-ND1 3.24Å; P3215-H3218 WeakPolarHBondContact O-CB 3.36Å; P3215-H3218 PolarHBondContact O-N 2.97Å; P3215-H3218 VanDerWaalsContact O-N 3.12Å; P3215-H3218 PolarHBondContact O-ND1 2.99Å; V3216-H3218 VanDerWaalsContact C-N 3.29Å; V3216-H3218 PolarHBondContact O-N 3.17Å; H3218-V3220 VanDerWaalsContact C-N 3.32Å; H3218-R3222 VanDerWaalsContact O-CB 3.31Å; H3218-R3222 WeakPolarHBondContact O-CB 3.2Å; H3218-R3222 WeakPolarHBondContact O-CD 3.4Å; H3218-R3222 VanDerWaalsContact O-CG 3.24Å; H3218-R3222 WeakPolarHBondContact O-CG 3.32Å; H3218-R3222 PolarHBondContact O-N 2.77Å; H3218-R3222 VanDerWaalsContact O-N 3.13Å
3219A75Confident68.6Low53 Ų5379.2 Ų79.244%0.43841%0.414SS..Hα-helixtrans-67.9-40.9176.300000111.4L3217 R3222 D3223 Q3224L3217-A3219 VanDerWaalsContact C-N 3.31Å; L3217-A3219 PolarHBondContact O-N 3.18Å; A3219-R3222 PolarHBondContact O-N 2.99Å; A3219-D3223 PolarHBondContact O-N 3.22Å; A3219-Q3224 HydrophobicContact CB-CB 4.43Å; A3219-Q3224 WeakPolarHBondContact O-CB 3.33Å; A3219-Q3224 PolarHBondContact O-N 3Å
3220V78.1Confident67.2Low48.25 Ų48.2580.8 Ų80.829%0.29242%0.42SS..Hα-helixtrans-71.7-46.1179.9-174.10000111.1L3195 I3199 L3217 H3218 R3222 D3223 F3225L3195-V3220 HydrophobicContact CD2-CG2 4.39Å; I3199-V3220 HydrophobicContact CD1-CG1 4.31Å; I3199-V3220 HydrophobicContact CD1-CG2 3.89Å; L3217-V3220 CarbonylContact O-C 3.56Å; L3217-V3220 PolarHBondContact O-N 3.22Å; L3217-V3220 VanDerWaalsContact O-N 3.17Å; H3218-V3220 VanDerWaalsContact C-N 3.32Å; V3220-R3222 PolarHBondContact O-N 3.3Å; V3220-R3222 VanDerWaalsContact O-N 3.13Å; V3220-D3223 PolarHBondContact O-N 3.25Å; V3220-D3223 VanDerWaalsContact O-N 3.11Å; V3220-F3225 HydrophobicContact CG1-CE1 4.4Å; V3220-F3225 HydrophobicContact CG1-CZ 4.23Å
3221L77.9Confident66.1Low53 Ų5382 Ų8228%0.27743%0.43SS..Hα-helixtrans-71.2-0.7179.8-65.8171.8000114R2750 V3157 I3213 L3217 D3223 F3225R2750-L3221 PolarHBondContact NH2-O 3.17Å; V3157-L3221 HydrophobicContact CB-CD2 3.79Å; V3157-L3221 HydrophobicContact CG1-CD2 3.9Å; V3157-L3221 HydrophobicContact CG2-CD2 3.96Å; I3213-L3221 HydrophobicContact CB-CD1 4.45Å; I3213-L3221 HydrophobicContact CD1-CD1 4.4Å; I3213-L3221 HydrophobicContact CG1-CD1 4.48Å; I3213-L3221 HydrophobicContact CG2-CD1 3.63Å; L3217-L3221 HydrophobicContact CB-CD1 3.89Å; L3217-L3221 HydrophobicContact CB-CG 4.28Å; L3217-L3221 HydrophobicContact CD1-CD1 4.18Å; L3217-L3221 HydrophobicContact CG-CD1 4.31Å; L3217-L3221 WeakPolarHBondContact O-CB 3.22Å; L3217-L3221 VanDerWaalsContact O-CG 3.25Å; L3217-L3221 WeakPolarHBondContact O-CG 3.28Å; L3217-L3221 PolarHBondContact O-N 3.15Å; L3221-D3223 PolarHBondContact O-N 3.08Å; L3221-F3225 HydrophobicContact CB-CZ 4.5Å; L3221-F3225 HydrophobicContact CD1-CE1 4.24Å; L3221-F3225 HydrophobicContact CD1-CE2 4.25Å; L3221-F3225 HydrophobicContact CD1-CZ 3.46Å; L3221-F3225 VanDerWaalsContact CD1-CZ 3.46Å; L3221-F3225 HydrophobicContact CD2-CE1 3.83Å; L3221-F3225 HydrophobicContact CD2-CZ 3.83Å; L3221-F3225 HydrophobicContact CG-CZ 4.16Å
3222R72.5Confident65.5Low117.75 Ų117.7576.5 Ų76.544%0.44441%0.407SS..THydrogen-bonded Turntrans-99.913.9171.4-71.4177.1-179.4-171.9-0.5112.1E2598 H3218 A3219 V3220 Q3224E2598-R3222 VanDerWaalsContact CD-NH1 3.26Å; E2598-R3222 IonicContact OE1-CZ 2.72Å; E2598-R3222 VanDerWaalsContact OE1-CZ 3.31Å; E2598-R3222 IonicContact OE1-NH1 3.94Å; E2598-R3222 PolarHBondContact OE1-NH1 3.22Å; E2598-R3222 IonicContact OE1-NH2 2.79Å; E2598-R3222 PolarHBondContact OE1-NH2 3.05Å; E2598-R3222 IonicContact OE2-CZ 3.69Å; E2598-R3222 IonicContact OE2-NH1 2.76Å; E2598-R3222 PolarHBondContact OE2-NH1 3.15Å; H3218-R3222 VanDerWaalsContact O-CB 3.31Å; H3218-R3222 WeakPolarHBondContact O-CB 3.2Å; H3218-R3222 WeakPolarHBondContact O-CD 3.4Å; H3218-R3222 VanDerWaalsContact O-CG 3.24Å; H3218-R3222 WeakPolarHBondContact O-CG 3.32Å; H3218-R3222 PolarHBondContact O-N 2.77Å; H3218-R3222 VanDerWaalsContact O-N 3.13Å; A3219-R3222 PolarHBondContact O-N 2.99Å; V3220-R3222 PolarHBondContact O-N 3.3Å; V3220-R3222 VanDerWaalsContact O-N 3.13Å; R3222-Q3224 HydrophobicContact CB-CB 4.36Å; R3222-Q3224 HydrophobicContact CB-CG 3.88Å; R3222-Q3224 PolarHBondContact O-N 3.25Å; R3222-Q3224 VanDerWaalsContact O-N 3.09Å
3223D61.8Low65.2Low110.25 Ų110.2575 Ų7559%0.5939%0.389SS*.THydrogen-bonded Turntrans64.749.6176.8-68.7-40.5000113.9Q3156 V3157 A3219 V3220 L3221 F3225Q3156-D3223 HydrophobicContact CB-CB 3.8Å; Q3156-D3223 HydrophobicContact CG-CB 3.79Å; Q3156-D3223 PolarHBondContact NE2-OD1 3.39Å; V3157-D3223 WeakPolarHBondContact CB-O 3.24Å; V3157-D3223 WeakPolarHBondContact CG2-O 3.35Å; V3157-D3223 PolarHBondContact N-O 3.39Å; A3219-D3223 PolarHBondContact O-N 3.22Å; V3220-D3223 PolarHBondContact O-N 3.25Å; V3220-D3223 VanDerWaalsContact O-N 3.11Å; L3221-D3223 PolarHBondContact O-N 3.08Å; D3223-F3225 VanDerWaalsContact C-N 3.34Å; D3223-F3225 HydrophobicContact CB-CD2 4.44Å; D3223-F3225 HydrophobicContact CB-CE2 4.13Å; D3223-F3225 WeakPolarHBondContact O-CD2 3.19Å; D3223-F3225 PolarHBondContact O-N 3.17Å; D3223-F3225 VanDerWaalsContact O-N 3.08Å; D3223-F3225 WeakPolarHBondContact OD1-CE2 3.47Å
3224Q54.5Low65Low89.75 Ų89.7571.7 Ų71.742%0.41937%0.373SS..  trans-91.789.7-173.7-68.1-179.6-20.900111.9Q3156 V3157 A3219 R3222 I3226Q3156-Q3224 WeakPolarHBondContact CB-O 3.38Å; Q3156-Q3224 PolarHBondContact OE1-O 3.01Å; V3157-Q3224 CarbonylContact O-C 3.59Å; A3219-Q3224 HydrophobicContact CB-CB 4.43Å; A3219-Q3224 WeakPolarHBondContact O-CB 3.33Å; A3219-Q3224 PolarHBondContact O-N 3Å; R3222-Q3224 HydrophobicContact CB-CB 4.36Å; R3222-Q3224 HydrophobicContact CB-CG 3.88Å; R3222-Q3224 PolarHBondContact O-N 3.25Å; R3222-Q3224 VanDerWaalsContact O-N 3.09Å; Q3224-I3226 VanDerWaalsContact C-N 3.33Å; Q3224-I3226 PolarHBondContact O-N 3.41Å
3225F50.6Low64.5Low84.75 Ų84.7571.5 Ų71.537%0.37238%0.376SS..  trans-98.5123.8-166.2-62.5-72.1000111.3L3159 I3199 I3213 V3220 L3221 D3223 Y3227L3159-F3225 HydrophobicContact CB-CB 3.56Å; L3159-F3225 HydrophobicContact CB-CD1 3.47Å; L3159-F3225 VanDerWaalsContact CB-CD1 3.47Å; L3159-F3225 HydrophobicContact CB-CE1 4.33Å; L3159-F3225 HydrophobicContact CB-CG 3.86Å; L3159-F3225 HydrophobicContact CD2-CB 4.33Å; L3159-F3225 HydrophobicContact CG-CD1 4.4Å; I3199-F3225 HydrophobicContact CD1-CE1 4.28Å; I3199-F3225 HydrophobicContact CG1-CE1 4.39Å; I3199-F3225 HydrophobicContact CG2-CD1 4.31Å; I3199-F3225 HydrophobicContact CG2-CE1 3.96Å; I3213-F3225 HydrophobicContact CD1-CD2 4.27Å; I3213-F3225 HydrophobicContact CD1-CE2 3.34Å; I3213-F3225 HydrophobicContact CD1-CZ 3.89Å; I3213-F3225 HydrophobicContact CG1-CE2 3.77Å; I3213-F3225 HydrophobicContact CG1-CZ 3.77Å; V3220-F3225 HydrophobicContact CG1-CE1 4.4Å; V3220-F3225 HydrophobicContact CG1-CZ 4.23Å; L3221-F3225 HydrophobicContact CB-CZ 4.5Å; L3221-F3225 HydrophobicContact CD1-CE1 4.24Å; L3221-F3225 HydrophobicContact CD1-CE2 4.25Å; L3221-F3225 HydrophobicContact CD1-CZ 3.46Å; L3221-F3225 VanDerWaalsContact CD1-CZ 3.46Å; L3221-F3225 HydrophobicContact CD2-CE1 3.83Å; L3221-F3225 HydrophobicContact CD2-CZ 3.83Å; L3221-F3225 HydrophobicContact CG-CZ 4.16Å; D3223-F3225 VanDerWaalsContact C-N 3.34Å; D3223-F3225 HydrophobicContact CB-CD2 4.44Å; D3223-F3225 HydrophobicContact CB-CE2 4.13Å; D3223-F3225 WeakPolarHBondContact O-CD2 3.19Å; D3223-F3225 PolarHBondContact O-N 3.17Å; D3223-F3225 VanDerWaalsContact O-N 3.08Å; D3223-F3225 WeakPolarHBondContact OD1-CE2 3.47Å; F3225-Y3227 PolarHBondContact O-N 3.31Å
3226I43.2Very low64.3Low113.25 Ų113.2572.7 Ų72.758%0.58138%0.377SS*.  trans-96.4117.8175.2-55.9175000109.4I3095 A3158 L3159 Q3224 Q3228I3095-I3226 HydrophobicContact CB-CG2 4.39Å; I3095-I3226 HydrophobicContact CG2-CD1 4.46Å; I3095-I3226 HydrophobicContact CG2-CG2 3.38Å; A3158-I3226 HydrophobicContact CB-CD1 3.82Å; A3158-I3226 HydrophobicContact CB-CG1 4.31Å; L3159-I3226 CarbonylContact O-C 3.33Å; L3159-I3226 WeakPolarHBondContact O-CA 3.37Å; L3159-I3226 VanDerWaalsContact O-CB 3.32Å; L3159-I3226 WeakPolarHBondContact O-CB 3.49Å; L3159-I3226 PolarHBondContact O-N 3.17Å; Q3224-I3226 VanDerWaalsContact C-N 3.33Å; Q3224-I3226 PolarHBondContact O-N 3.41Å; I3226-Q3228 HydrophobicContact CG2-CG 4Å; I3226-Q3228 PolarHBondContact O-N 3.08Å; I3226-Q3228 VanDerWaalsContact O-N 3.08Å
3227Y40.8Very low64.4Low183 Ų18370.6 Ų70.672%0.71836%0.364SS*.  trans-80.3121.5169.5-65.9-89.8000109.4L3161 F3225 V3229L3161-Y3227 HydrophobicContact CD1-CD1 3.13Å; L3161-Y3227 HydrophobicContact CD1-CE1 3.6Å; L3161-Y3227 HydrophobicContact CD1-CG 3.82Å; L3161-Y3227 HydrophobicContact CG-CD1 4.35Å; F3225-Y3227 PolarHBondContact O-N 3.31Å; Y3227-V3229 PolarHBondContact O-N 3.08Å; Y3227-V3229 VanDerWaalsContact O-N 3.16Å
3228Q36.8Very low64.4Low109.25 Ų109.2570.2 Ų70.251%0.51136%0.362SS..  trans-82.1106.1178-98.5177.6-27.800111.1N3147 I3226 E3230 S3231 G3232N3147-Q3228 WeakPolarHBondContact ND2-CG 3.34Å; N3147-Q3228 PolarHBondContact ND2-OE1 3.33Å; I3226-Q3228 HydrophobicContact CG2-CG 4Å; I3226-Q3228 PolarHBondContact O-N 3.08Å; I3226-Q3228 VanDerWaalsContact O-N 3.08Å; Q3228-E3230 PolarHBondContact O-N 2.93Å; Q3228-E3230 VanDerWaalsContact O-N 3.11Å; Q3228-S3231 PolarHBondContact O-N 3.19Å; Q3228-S3231 PolarHBondContact O-OG 3.23Å; Q3228-G3232 PolarHBondContact O-N 2.91Å
3229V46.8Very low64.2Low90 Ų9068.5 Ų68.555%0.54536%0.358SS..  trans-78.4-101.2-178.4-171.70000112.1Y3227 S3231 G3232 L3233 F3338Y3227-V3229 PolarHBondContact O-N 3.08Å; Y3227-V3229 VanDerWaalsContact O-N 3.16Å; V3229-S3231 VanDerWaalsContact C-N 3.29Å; V3229-S3231 PolarHBondContact O-N 2.91Å; V3229-S3231 VanDerWaalsContact O-N 3.15Å; V3229-G3232 WeakPolarHBondContact O-CA 3.31Å; V3229-G3232 PolarHBondContact O-N 3.18Å; V3229-G3232 VanDerWaalsContact O-N 3.11Å; V3229-L3233 WeakPolarHBondContact O-CB 3.29Å; V3229-L3233 PolarHBondContact O-N 3.06Å; V3229-L3233 VanDerWaalsContact O-N 3.08Å; V3229-F3338 HydrophobicContact CB-CZ 4.38Å; V3229-F3338 HydrophobicContact CG1-CZ 4.1Å
3230E53.6Low64.5Low108 Ų10867.1 Ų67.151%0.50534%0.343SS..Hα-helixtrans-33.9-46.7173.9-97-172.7169.300115.8Q3228 G3232 T3234 C3334 F3338Q3228-E3230 PolarHBondContact O-N 2.93Å; Q3228-E3230 VanDerWaalsContact O-N 3.11Å; E3230-G3232 VanDerWaalsContact C-N 3.32Å; E3230-G3232 PolarHBondContact O-N 2.96Å; E3230-T3234 VanDerWaalsContact O-CB 3.29Å; E3230-T3234 WeakPolarHBondContact O-CB 3.43Å; E3230-T3234 PolarHBondContact O-N 3.04Å; E3230-T3234 PolarHBondContact O-OG1 3.26Å; E3230-C3334 HydrophobicContact CG-CB 4.48Å; E3230-C3334 PolarHBondContact O-SG 3.38Å; E3230-F3338 HydrophobicContact CB-CE2 4.26Å; E3230-F3338 HydrophobicContact CB-CZ 4.03Å; E3230-F3338 HydrophobicContact CG-CD1 4.07Å; E3230-F3338 HydrophobicContact CG-CD2 4.24Å; E3230-F3338 HydrophobicContact CG-CE1 3.44Å; E3230-F3338 VanDerWaalsContact CG-CE1 3.44Å; E3230-F3338 HydrophobicContact CG-CE2 3.75Å; E3230-F3338 HydrophobicContact CG-CG 4.41Å; E3230-F3338 HydrophobicContact CG-CZ 3.74Å
3231S58Low64.7Low75.5 Ų75.564.8 Ų64.853%0.52833%0.329SS..Hα-helixtrans-69-36.1-177.2650000112.7E3099 T3143 Q3228 V3229 L3233 T3234 S3235E3099-S3231 WeakPolarHBondContact OE2-CB 3.41Å; E3099-S3231 PolarHBondContact OE2-OG 3.04Å; T3143-S3231 WeakPolarHBondContact CG2-OG 3.32Å; Q3228-S3231 PolarHBondContact O-N 3.19Å; Q3228-S3231 PolarHBondContact O-OG 3.23Å; V3229-S3231 VanDerWaalsContact C-N 3.29Å; V3229-S3231 PolarHBondContact O-N 2.91Å; V3229-S3231 VanDerWaalsContact O-N 3.15Å; S3231-L3233 PolarHBondContact O-N 2.91Å; S3231-T3234 PolarHBondContact O-N 3.21Å; S3231-S3235 VanDerWaalsContact O-CB 3.31Å; S3231-S3235 WeakPolarHBondContact O-CB 3.28Å; S3231-S3235 PolarHBondContact O-N 2.9Å
3232G63.6Low64.8Low23.5 Ų23.562.4 Ų62.424%0.24232%0.316CS..Hα-helixtrans-64.8-48178.300000112.5E3141 Q3228 V3229 E3230 T3234 S3235 Q3236E3141-G3232 VanDerWaalsContact OE1-C 3.29Å; E3141-G3232 WeakPolarHBondContact OE1-CA 3.4Å; E3141-G3232 WeakPolarHBondContact OE2-CA 3.46Å; Q3228-G3232 PolarHBondContact O-N 2.91Å; V3229-G3232 WeakPolarHBondContact O-CA 3.31Å; V3229-G3232 PolarHBondContact O-N 3.18Å; V3229-G3232 VanDerWaalsContact O-N 3.11Å; E3230-G3232 VanDerWaalsContact C-N 3.32Å; E3230-G3232 PolarHBondContact O-N 2.96Å; G3232-T3234 PolarHBondContact O-N 3.17Å; G3232-T3234 VanDerWaalsContact O-N 3.13Å; G3232-S3235 WeakPolarHBondContact O-CB 3.42Å; G3232-S3235 PolarHBondContact O-N 3.24Å; G3232-S3235 VanDerWaalsContact O-N 3.17Å; G3232-Q3236 WeakPolarHBondContact O-CG 3.39Å; G3232-Q3236 PolarHBondContact O-N 3.23Å
3233L72.5Confident65.1Low7.5 Ų7.563.1 Ų63.14%0.03932%0.319CS..Hα-helixtrans-63.9-39.6179.3-178.760.1000111.9V3229 S3231 S3235 Q3236 L3237 Y3337 F3338 L3354 M3358V3229-L3233 WeakPolarHBondContact O-CB 3.29Å; V3229-L3233 PolarHBondContact O-N 3.06Å; V3229-L3233 VanDerWaalsContact O-N 3.08Å; S3231-L3233 PolarHBondContact O-N 2.91Å; L3233-S3235 VanDerWaalsContact C-N 3.3Å; L3233-S3235 PolarHBondContact O-N 3.11Å; L3233-Q3236 PolarHBondContact O-N 3.23Å; L3233-L3237 HydrophobicContact CD1-CD1 4.15Å; L3233-L3237 HydrophobicContact CD1-CD2 4.45Å; L3233-L3237 HydrophobicContact CD1-CG 4.06Å; L3233-L3237 HydrophobicContact CD2-CD1 4.46Å; L3233-L3237 HydrophobicContact CG-CD1 3.87Å; L3233-L3237 HydrophobicContact CG-CG 4.27Å; L3233-L3237 WeakPolarHBondContact O-CB 3.33Å; L3233-L3237 VanDerWaalsContact O-CG 3.3Å; L3233-L3237 WeakPolarHBondContact O-CG 3.36Å; L3233-L3237 PolarHBondContact O-N 3.11Å; L3233-Y3337 HydrophobicContact CD2-CD1 3.27Å; L3233-Y3337 HydrophobicContact CD2-CD2 4.32Å; L3233-Y3337 HydrophobicContact CD2-CE1 3.87Å; L3233-Y3337 HydrophobicContact CD2-CG 3.77Å; L3233-Y3337 VanDerWaalsContact CD2-CG 3.48Å; L3233-F3338 HydrophobicContact CD2-CE2 4.43Å; L3233-L3354 HydrophobicContact CD1-CD1 3.64Å; L3233-L3354 HydrophobicContact CD1-CD2 4.38Å; L3233-L3354 HydrophobicContact CD1-CG 4.49Å; L3233-L3354 HydrophobicContact CD2-CD1 4.33Å; L3233-L3354 HydrophobicContact CG-CD1 4.39Å; L3233-M3358 HydrophobicContact CD1-CE 4.38Å; L3233-M3358 HydrophobicContact CD1-SD 4.18Å
3234T76Confident65.8Low18.75 Ų18.7560.3 Ų60.312%0.11530%0.302CS..Hα-helixtrans-59.5-41.8174.7-56.10000111.1E3230 S3231 G3232 L3237 L3238 L3327 A3330 K3331 C3334E3230-T3234 VanDerWaalsContact O-CB 3.29Å; E3230-T3234 WeakPolarHBondContact O-CB 3.43Å; E3230-T3234 PolarHBondContact O-N 3.04Å; E3230-T3234 PolarHBondContact O-OG1 3.26Å; S3231-T3234 PolarHBondContact O-N 3.21Å; G3232-T3234 PolarHBondContact O-N 3.17Å; G3232-T3234 VanDerWaalsContact O-N 3.13Å; T3234-L3237 PolarHBondContact O-N 3.3Å; T3234-L3238 VanDerWaalsContact O-CB 3.27Å; T3234-L3238 WeakPolarHBondContact O-CB 3.35Å; T3234-L3238 PolarHBondContact O-N 3.02Å; T3234-L3327 HydrophobicContact CG2-CD1 3.86Å; T3234-A3330 HydrophobicContact CG2-CB 4.12Å; T3234-K3331 HydrophobicContact CG2-CG 3.95Å; T3234-C3334 WeakPolarHBondContact OG1-CB 3.5Å; T3234-C3334 PolarHBondContact OG1-SG 3.22Å; T3234-C3334 VanDerWaalsContact OG1-SG 3.39Å
3235S69.9Low66.9Low45.25 Ų45.2558.1 Ų58.132%0.31629%0.292SS..Hα-helixtrans-68.1-39.3177.5-168.50000112.2S3231 G3232 L3233 L3238 S3239 R3323S3231-S3235 VanDerWaalsContact O-CB 3.31Å; S3231-S3235 WeakPolarHBondContact O-CB 3.28Å; S3231-S3235 PolarHBondContact O-N 2.9Å; G3232-S3235 WeakPolarHBondContact O-CB 3.42Å; G3232-S3235 PolarHBondContact O-N 3.24Å; G3232-S3235 VanDerWaalsContact O-N 3.17Å; L3233-S3235 VanDerWaalsContact C-N 3.3Å; L3233-S3235 PolarHBondContact O-N 3.11Å; S3235-L3238 PolarHBondContact O-N 3.02Å; S3235-S3239 WeakPolarHBondContact O-CB 3.42Å; S3235-S3239 PolarHBondContact O-N 3.19Å; S3235-S3239 PolarHBondContact O-OG 3.08Å; S3235-R3323 PolarHBondContact OG-NH2 3.4Å
3236Q74.5Confident68.1Low74.5 Ų74.556.8 Ų56.835%0.34829%0.289SS..Hα-helixtrans-63.4-48.6174.8-70.6178.52.700111.6E3141 G3232 L3233 L3238 S3239 L3240 M3358E3141-Q3236 WeakPolarHBondContact OE1-CG 3.22Å; G3232-Q3236 WeakPolarHBondContact O-CG 3.39Å; G3232-Q3236 PolarHBondContact O-N 3.23Å; L3233-Q3236 PolarHBondContact O-N 3.23Å; Q3236-L3238 VanDerWaalsContact C-N 3.31Å; Q3236-L3238 PolarHBondContact O-N 3.21Å; Q3236-S3239 PolarHBondContact O-N 3.02Å; Q3236-L3240 WeakPolarHBondContact O-CB 3.49Å; Q3236-L3240 WeakPolarHBondContact O-CG 3.37Å; Q3236-L3240 PolarHBondContact O-N 3.15Å; Q3236-M3358 HydrophobicContact CB-CE 4.14Å
3237L83.7Confident69.7Low0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-61.6-40176.6-70.1168.7000111.4L3233 T3234 S3239 L3240 T3241 A3330 A3333 C3334 F3357 M3358 Y3361L3233-L3237 HydrophobicContact CD1-CD1 4.15Å; L3233-L3237 HydrophobicContact CD1-CD2 4.45Å; L3233-L3237 HydrophobicContact CD1-CG 4.06Å; L3233-L3237 HydrophobicContact CD2-CD1 4.46Å; L3233-L3237 HydrophobicContact CG-CD1 3.87Å; L3233-L3237 HydrophobicContact CG-CG 4.27Å; L3233-L3237 WeakPolarHBondContact O-CB 3.33Å; L3233-L3237 VanDerWaalsContact O-CG 3.3Å; L3233-L3237 WeakPolarHBondContact O-CG 3.36Å; L3233-L3237 PolarHBondContact O-N 3.11Å; T3234-L3237 PolarHBondContact O-N 3.3Å; L3237-S3239 PolarHBondContact O-N 2.81Å; L3237-L3240 WeakPolarHBondContact O-CB 3.44Å; L3237-L3240 PolarHBondContact O-N 2.99Å; L3237-T3241 WeakPolarHBondContact O-CB 3.42Å; L3237-T3241 PolarHBondContact O-N 3.24Å; L3237-T3241 PolarHBondContact O-OG1 3.04Å; L3237-A3330 HydrophobicContact CB-CB 4.3Å; L3237-A3333 HydrophobicContact CD1-CB 3.9Å; L3237-C3334 HydrophobicContact CD1-CB 4.14Å; L3237-F3357 HydrophobicContact CD1-CE1 4.17Å; L3237-F3357 HydrophobicContact CD2-CD1 4.41Å; L3237-F3357 HydrophobicContact CD2-CE1 3.99Å; L3237-M3358 HydrophobicContact CD2-SD 3.56Å; L3237-M3358 VanDerWaalsContact CD2-SD 3.52Å; L3237-M3358 HydrophobicContact CG-SD 4.31Å; L3237-Y3361 HydrophobicContact CB-CE1 4.26Å; L3237-Y3361 HydrophobicContact CD2-CD1 3.62Å; L3237-Y3361 HydrophobicContact CD2-CD2 4.25Å; L3237-Y3361 HydrophobicContact CD2-CE1 3.98Å; L3237-Y3361 HydrophobicContact CD2-CG 3.91Å
3238L82.5Confident71.5Confident6 Ų651.2 Ų51.23%0.03128%0.276CS..Hα-helixtrans-64.3-45.3176.1-175.958.5000112T3234 S3235 Q3236 L3240 T3241 I3242 R3323 F3326 L3327 A3330T3234-L3238 VanDerWaalsContact O-CB 3.27Å; T3234-L3238 WeakPolarHBondContact O-CB 3.35Å; T3234-L3238 PolarHBondContact O-N 3.02Å; S3235-L3238 PolarHBondContact O-N 3.02Å; Q3236-L3238 VanDerWaalsContact C-N 3.31Å; Q3236-L3238 PolarHBondContact O-N 3.21Å; L3238-L3240 VanDerWaalsContact C-N 3.32Å; L3238-L3240 PolarHBondContact O-N 3.09Å; L3238-T3241 WeakPolarHBondContact O-CB 3.4Å; L3238-T3241 PolarHBondContact O-N 3Å; L3238-T3241 VanDerWaalsContact O-N 3.15Å; L3238-I3242 HydrophobicContact CD1-CD1 4.03Å; L3238-I3242 HydrophobicContact CD1-CG1 4.32Å; L3238-I3242 HydrophobicContact CG-CD1 4.11Å; L3238-I3242 VanDerWaalsContact O-CG1 3.31Å; L3238-I3242 WeakPolarHBondContact O-CG1 3.38Å; L3238-I3242 PolarHBondContact O-N 3.13Å; L3238-I3242 VanDerWaalsContact O-N 3.07Å; L3238-R3323 HydrophobicContact CD1-CG 4.41Å; L3238-R3323 HydrophobicContact CD2-CB 3.86Å; L3238-R3323 HydrophobicContact CD2-CG 3.8Å; L3238-R3323 HydrophobicContact CG-CB 4.36Å; L3238-R3323 HydrophobicContact CG-CG 4.13Å; L3238-F3326 HydrophobicContact CD1-CB 3.67Å; L3238-L3327 HydrophobicContact CD2-CB 4.3Å; L3238-L3327 HydrophobicContact CD2-CD1 4.09Å; L3238-A3330 HydrophobicContact CB-CB 3.98Å; L3238-A3330 HydrophobicContact CD1-CB 4.34Å
3239S76.4Confident73.3Confident28.25 Ų28.2547.2 Ų47.220%0.19826%0.258CS..Hα-helixtrans-65.5-36.4177.2-59.60000111.6S3235 Q3236 L3237 I3242 R3243 E3250 R3253 R3323S3235-S3239 WeakPolarHBondContact O-CB 3.42Å; S3235-S3239 PolarHBondContact O-N 3.19Å; S3235-S3239 PolarHBondContact O-OG 3.08Å; Q3236-S3239 PolarHBondContact O-N 3.02Å; L3237-S3239 PolarHBondContact O-N 2.81Å; S3239-I3242 PolarHBondContact O-N 3.33Å; S3239-R3243 VanDerWaalsContact O-CB 3.29Å; S3239-R3243 WeakPolarHBondContact O-CB 3.43Å; S3239-R3243 PolarHBondContact O-N 3.19Å; S3239-E3250 VanDerWaalsContact CB-OE1 3.29Å; S3239-E3250 WeakPolarHBondContact CB-OE1 3.48Å; S3239-E3250 PolarHBondContact OG-OE1 3.4Å; S3239-R3253 PolarHBondContact OG-NH1 3.05Å; S3239-R3323 PolarHBondContact OG-NH2 3.26Å; S3239-R3323 VanDerWaalsContact OG-NH2 3.12Å
3240L81Confident74.3Confident23.25 Ų23.2544.1 Ų44.112%0.12224%0.237CC..Hα-helixtrans-62.4-46.9170.4-91.6178.5000111.6Q3236 L3237 L3238 I3242 R3243 E3244 M3358 Y3361Q3236-L3240 WeakPolarHBondContact O-CB 3.49Å; Q3236-L3240 WeakPolarHBondContact O-CG 3.37Å; Q3236-L3240 PolarHBondContact O-N 3.15Å; L3237-L3240 WeakPolarHBondContact O-CB 3.44Å; L3237-L3240 PolarHBondContact O-N 2.99Å; L3238-L3240 VanDerWaalsContact C-N 3.32Å; L3238-L3240 PolarHBondContact O-N 3.09Å; L3240-I3242 VanDerWaalsContact C-N 3.3Å; L3240-I3242 PolarHBondContact O-N 3.16Å; L3240-R3243 VanDerWaalsContact CD2-CZ 3.43Å; L3240-R3243 PolarHBondContact O-N 3.19Å; L3240-E3244 HydrophobicContact CD2-CG 3.74Å; L3240-E3244 WeakPolarHBondContact O-CG 3.3Å; L3240-E3244 PolarHBondContact O-N 3.14Å; L3240-E3244 VanDerWaalsContact O-N 3.11Å; L3240-M3358 HydrophobicContact CD1-CB 4.39Å; L3240-M3358 HydrophobicContact CD1-CE 3.42Å; L3240-M3358 HydrophobicContact CD1-SD 3.71Å; L3240-M3358 VanDerWaalsContact CD1-SD 3.57Å; L3240-M3358 WeakPolarHBondContact CD1-SD 3.3Å; L3240-M3358 HydrophobicContact CG-CE 4.11Å; L3240-Y3361 HydrophobicContact CD2-CD1 4.39Å
3241T83Confident75.4Confident0 Ų045.1 Ų45.10%024%0.24CC..Hα-helixtrans-56.5-45.9178.4-540000111.4L3237 L3238 E3244 M3245 F3326 L3329 Y3361 I3365L3237-T3241 WeakPolarHBondContact O-CB 3.42Å; L3237-T3241 PolarHBondContact O-N 3.24Å; L3237-T3241 PolarHBondContact O-OG1 3.04Å; L3238-T3241 WeakPolarHBondContact O-CB 3.4Å; L3238-T3241 PolarHBondContact O-N 3Å; L3238-T3241 VanDerWaalsContact O-N 3.15Å; T3241-E3244 PolarHBondContact O-N 3.11Å; T3241-M3245 HydrophobicContact CG2-CG 4.33Å; T3241-M3245 VanDerWaalsContact O-CB 3.27Å; T3241-M3245 WeakPolarHBondContact O-CB 3.31Å; T3241-M3245 VanDerWaalsContact O-CG 3.22Å; T3241-M3245 WeakPolarHBondContact O-CG 3.29Å; T3241-M3245 PolarHBondContact O-N 3.39Å; T3241-F3326 HydrophobicContact CG2-CB 4.11Å; T3241-F3326 HydrophobicContact CG2-CD1 3.82Å; T3241-F3326 HydrophobicContact CG2-CD2 4.23Å; T3241-F3326 HydrophobicContact CG2-CE1 4.19Å; T3241-F3326 HydrophobicContact CG2-CG 3.98Å; T3241-L3329 HydrophobicContact CG2-CD2 4.25Å; T3241-Y3361 VanDerWaalsContact OG1-CE1 3.31Å; T3241-Y3361 WeakPolarHBondContact OG1-CE1 3.34Å; T3241-Y3361 PolarHBondContact OG1-OH 3.23Å; T3241-I3365 HydrophobicContact CG2-CD1 4.22Å
3242I79.4Confident76.2Confident2.25 Ų2.2546.5 Ų46.51%0.01223%0.234CC..Hα-helixtrans-69.9-44.5-178.4-65.4167.7000110.7L3238 S3239 L3240 E3244 M3245 N3246 L3249 E3250 R3323 F3326L3238-I3242 HydrophobicContact CD1-CD1 4.03Å; L3238-I3242 HydrophobicContact CD1-CG1 4.32Å; L3238-I3242 HydrophobicContact CG-CD1 4.11Å; L3238-I3242 VanDerWaalsContact O-CG1 3.31Å; L3238-I3242 WeakPolarHBondContact O-CG1 3.38Å; L3238-I3242 PolarHBondContact O-N 3.13Å; L3238-I3242 VanDerWaalsContact O-N 3.07Å; S3239-I3242 PolarHBondContact O-N 3.33Å; L3240-I3242 VanDerWaalsContact C-N 3.3Å; L3240-I3242 PolarHBondContact O-N 3.16Å; I3242-E3244 VanDerWaalsContact C-N 3.31Å; I3242-E3244 PolarHBondContact O-N 3.2Å; I3242-M3245 PolarHBondContact O-N 3.31Å; I3242-N3246 CarbonylContact O-C 3.55Å; I3242-N3246 VanDerWaalsContact O-C 3.29Å; I3242-N3246 WeakPolarHBondContact O-CA 3.4Å; I3242-N3246 PolarHBondContact O-N 2.98Å; I3242-N3246 VanDerWaalsContact O-O 3.05Å; I3242-L3249 HydrophobicContact CD1-CD2 4.45Å; I3242-L3249 HydrophobicContact CG2-CB 3.99Å; I3242-L3249 HydrophobicContact CG2-CD2 3.54Å; I3242-L3249 HydrophobicContact CG2-CG 4.33Å; I3242-E3250 HydrophobicContact CG2-CB 4.2Å; I3242-E3250 WeakPolarHBondContact CG2-OE2 3.28Å; I3242-R3323 HydrophobicContact CD1-CB 4Å; I3242-R3323 HydrophobicContact CD1-CG 3.32Å; I3242-F3326 HydrophobicContact CG1-CB 4.43Å; I3242-F3326 HydrophobicContact CG1-CD2 4.11Å; I3242-F3326 HydrophobicContact CG1-CG 4.42Å
3243R77.4Confident76.6Confident132.25 Ų132.2548.5 Ų48.550%0.49923%0.234SC..Hα-helixtrans-57.1-41.3177.4-171.9-174.654.2-174.83.3112.4S3239 L3240 P3247 E3250S3239-R3243 VanDerWaalsContact O-CB 3.29Å; S3239-R3243 WeakPolarHBondContact O-CB 3.43Å; S3239-R3243 PolarHBondContact O-N 3.19Å; L3240-R3243 VanDerWaalsContact CD2-CZ 3.43Å; L3240-R3243 PolarHBondContact O-N 3.19Å; R3243-P3247 VanDerWaalsContact O-CA 3.31Å; R3243-P3247 WeakPolarHBondContact O-CA 3.15Å; R3243-P3247 WeakPolarHBondContact O-CB 3.48Å; R3243-E3250 HydrophobicContact CB-CG 4.24Å; R3243-E3250 HydrophobicContact CG-CG 4.47Å
3244E78.3Confident76.5Confident51.5 Ų51.550.9 Ų50.924%0.24125%0.251CS..Hα-helixtrans-78.3-45.6-180-64.1-56.4144.400112.5L3240 T3241 I3242 I3365 K3369L3240-E3244 HydrophobicContact CD2-CG 3.74Å; L3240-E3244 WeakPolarHBondContact O-CG 3.3Å; L3240-E3244 PolarHBondContact O-N 3.14Å; L3240-E3244 VanDerWaalsContact O-N 3.11Å; T3241-E3244 PolarHBondContact O-N 3.11Å; I3242-E3244 VanDerWaalsContact C-N 3.31Å; I3242-E3244 PolarHBondContact O-N 3.2Å; E3244-I3365 HydrophobicContact CB-CB 4.34Å; E3244-I3365 HydrophobicContact CB-CG2 3.59Å; E3244-I3365 VanDerWaalsContact CB-CG2 3.46Å; E3244-I3365 HydrophobicContact CG-CG2 4.33Å; E3244-K3369 VanDerWaalsContact O-CD 3.25Å; E3244-K3369 WeakPolarHBondContact O-CD 3.33Å; E3244-K3369 WeakPolarHBondContact O-CE 3.4Å; E3244-K3369 PolarHBondContact O-NZ 3.23Å
3245M76.5Confident76.7Confident42.5 Ų42.553.6 Ų53.621%0.20926%0.263CS..Hα-helixtrans-75.2-45.6-176.5-70.3-67.6-101.500113.1T3241 I3242 P3247 F3326 I3365 Q3368 K3369 L3376 L3381T3241-M3245 HydrophobicContact CG2-CG 4.33Å; T3241-M3245 VanDerWaalsContact O-CB 3.27Å; T3241-M3245 WeakPolarHBondContact O-CB 3.31Å; T3241-M3245 VanDerWaalsContact O-CG 3.22Å; T3241-M3245 WeakPolarHBondContact O-CG 3.29Å; T3241-M3245 PolarHBondContact O-N 3.39Å; I3242-M3245 PolarHBondContact O-N 3.31Å; M3245-P3247 VanDerWaalsContact C-CD 3.49Å; M3245-F3326 HydrophobicContact CE-CZ 4.2Å; M3245-F3326 HydrophobicContact CG-CZ 4.44Å; M3245-I3365 HydrophobicContact CE-CD1 4.47Å; M3245-I3365 HydrophobicContact CE-CG2 4.14Å; M3245-I3365 HydrophobicContact CG-CG2 3.73Å; M3245-I3365 HydrophobicContact SD-CG2 3.99Å; M3245-Q3368 HydrophobicContact CE-CB 3.94Å; M3245-K3369 HydrophobicContact SD-CB 4.16Å; M3245-L3376 HydrophobicContact CE-CD1 4.47Å; M3245-L3381 HydrophobicContact CE-CD1 4Å; M3245-L3381 HydrophobicContact CE-CD2 4.23Å
3246N76.9Confident77Confident58.75 Ų58.7551.6 Ų51.631%0.31425%0.249SC..  trans-135.371.3-174.3-133.5-19.4000110.6I3242 D3248 L3249 E3250I3242-N3246 CarbonylContact O-C 3.55Å; I3242-N3246 VanDerWaalsContact O-C 3.29Å; I3242-N3246 WeakPolarHBondContact O-CA 3.4Å; I3242-N3246 PolarHBondContact O-N 2.98Å; I3242-N3246 VanDerWaalsContact O-O 3.05Å; N3246-D3248 VanDerWaalsContact C-N 3.28Å; N3246-D3248 PolarHBondContact O-N 3.25Å; N3246-D3248 PolarHBondContact OD1-N 3.09Å; N3246-L3249 HydrophobicContact CB-CB 4.18Å; N3246-L3249 HydrophobicContact CB-CD1 4.33Å; N3246-L3249 WeakPolarHBondContact O-CB 3.35Å; N3246-L3249 PolarHBondContact O-N 3.35Å; N3246-L3249 VanDerWaalsContact O-N 3.13Å; N3246-L3249 PolarHBondContact OD1-N 3.3Å; N3246-E3250 PolarHBondContact O-N 3.11Å; N3246-E3250 VanDerWaalsContact O-N 3.1Å
3247P76.7Confident76.8Confident54.75 Ų54.7550.8 Ų50.836%0.35625%0.246SC..Hα-helixtrans-60.8-31.2-176.924.5-34.3000112.7R3243 M3245 L3249 E3250 K3251R3243-P3247 VanDerWaalsContact O-CA 3.31Å; R3243-P3247 WeakPolarHBondContact O-CA 3.15Å; R3243-P3247 WeakPolarHBondContact O-CB 3.48Å; M3245-P3247 VanDerWaalsContact C-CD 3.49Å; P3247-L3249 VanDerWaalsContact C-N 3.31Å; P3247-L3249 PolarHBondContact O-N 3.41Å; P3247-E3250 PolarHBondContact O-N 3.05Å; P3247-K3251 VanDerWaalsContact O-CB 3.3Å; P3247-K3251 WeakPolarHBondContact O-CB 3.35Å; P3247-K3251 PolarHBondContact O-N 3.16Å
3248D77.7Confident76.2Confident124 Ų12457.2 Ų57.266%0.66328%0.276SS*.Hα-helixtrans-65.7-36.3178.4-61.6-39.4000111.9N3246 R3252N3246-D3248 VanDerWaalsContact C-N 3.28Å; N3246-D3248 PolarHBondContact O-N 3.25Å; N3246-D3248 PolarHBondContact OD1-N 3.09Å; D3248-R3252 WeakPolarHBondContact O-CB 3.38Å; D3248-R3252 PolarHBondContact O-N 3.19Å
3249L74.2Confident75.8Confident24 Ų2461.9 Ų61.913%0.12630%0.298CS..Hα-helixtrans-68.6-42.2176.2-140157.4000111.7I3242 N3246 P3247 R3252 R3253 L3315 K3318 V3319 E3322 R3323I3242-L3249 HydrophobicContact CD1-CD2 4.45Å; I3242-L3249 HydrophobicContact CG2-CB 3.99Å; I3242-L3249 HydrophobicContact CG2-CD2 3.54Å; I3242-L3249 HydrophobicContact CG2-CG 4.33Å; N3246-L3249 HydrophobicContact CB-CB 4.18Å; N3246-L3249 HydrophobicContact CB-CD1 4.33Å; N3246-L3249 WeakPolarHBondContact O-CB 3.35Å; N3246-L3249 PolarHBondContact O-N 3.35Å; N3246-L3249 VanDerWaalsContact O-N 3.13Å; N3246-L3249 PolarHBondContact OD1-N 3.3Å; P3247-L3249 VanDerWaalsContact C-N 3.31Å; P3247-L3249 PolarHBondContact O-N 3.41Å; L3249-R3252 PolarHBondContact O-N 3.07Å; L3249-R3253 VanDerWaalsContact O-CB 3.27Å; L3249-R3253 WeakPolarHBondContact O-CB 3.43Å; L3249-R3253 PolarHBondContact O-N 3.13Å; L3249-L3315 HydrophobicContact CD2-CD1 3.96Å; L3249-L3315 HydrophobicContact CD2-CG 4.42Å; L3249-K3318 HydrophobicContact CD1-CB 4.48Å; L3249-K3318 HydrophobicContact CD2-CB 4.5Å; L3249-V3319 HydrophobicContact CD2-CB 4.38Å; L3249-V3319 HydrophobicContact CD2-CG1 4.05Å; L3249-V3319 HydrophobicContact CD2-CG2 3.92Å; L3249-V3319 HydrophobicContact CG-CG2 4.29Å; L3249-E3322 HydrophobicContact CD1-CB 3.79Å; L3249-E3322 HydrophobicContact CD1-CG 4.34Å; L3249-E3322 WeakPolarHBondContact CD1-OE2 3.46Å; L3249-E3322 HydrophobicContact CD2-CB 4.14Å; L3249-R3323 HydrophobicContact CD2-CB 4.34Å
3250E69.2Low75.7Confident25.25 Ų25.2563.2 Ų63.212%0.11830%0.299CS..Hα-helixtrans-69.2-38.6177.8-166.267.9-174.900111.4S3239 I3242 R3243 N3246 P3247 R3253 S3254S3239-E3250 VanDerWaalsContact CB-OE1 3.29Å; S3239-E3250 WeakPolarHBondContact CB-OE1 3.48Å; S3239-E3250 PolarHBondContact OG-OE1 3.4Å; I3242-E3250 HydrophobicContact CG2-CB 4.2Å; I3242-E3250 WeakPolarHBondContact CG2-OE2 3.28Å; R3243-E3250 HydrophobicContact CB-CG 4.24Å; R3243-E3250 HydrophobicContact CG-CG 4.47Å; N3246-E3250 PolarHBondContact O-N 3.11Å; N3246-E3250 VanDerWaalsContact O-N 3.1Å; P3247-E3250 PolarHBondContact O-N 3.05Å; E3250-R3253 VanDerWaalsContact CD-CZ 3.43Å; E3250-R3253 VanDerWaalsContact CD-NH1 3.29Å; E3250-R3253 VanDerWaalsContact CD-NH2 3.3Å; E3250-R3253 WeakPolarHBondContact O-CB 3.18Å; E3250-R3253 PolarHBondContact O-N 2.93Å; E3250-R3253 IonicContact OE1-CZ 3.22Å; E3250-R3253 IonicContact OE1-NH1 3.21Å; E3250-R3253 PolarHBondContact OE1-NH1 3.22Å; E3250-R3253 VanDerWaalsContact OE1-NH1 3.16Å; E3250-R3253 IonicContact OE1-NH2 3.74Å; E3250-R3253 PolarHBondContact OE1-NH2 2.86Å; E3250-R3253 WeakPolarHBondContact OE2-CD 3.41Å; E3250-R3253 IonicContact OE2-CZ 3.18Å; E3250-R3253 VanDerWaalsContact OE2-CZ 3.26Å; E3250-R3253 IonicContact OE2-NE 3.31Å; E3250-R3253 IonicContact OE2-NH1 3.22Å; E3250-R3253 PolarHBondContact OE2-NH1 2.99Å; E3250-R3253 IonicContact OE2-NH2 3.77Å; E3250-S3254 PolarHBondContact O-N 3.2Å; E3250-S3254 VanDerWaalsContact O-N 3.07Å; E3250-S3254 PolarHBondContact O-OG 3.16Å
3251K76.3Confident75.1Confident129 Ų12965.9 Ų65.956%0.56131%0.311SS*.Hα-helixtrans-62.3-49.4172.8-171.5179.9179.8-149.90110.8P3247 R3253 S3254 E3255P3247-K3251 VanDerWaalsContact O-CB 3.3Å; P3247-K3251 WeakPolarHBondContact O-CB 3.35Å; P3247-K3251 PolarHBondContact O-N 3.16Å; K3251-R3253 VanDerWaalsContact C-N 3.31Å; K3251-R3253 PolarHBondContact O-N 3.18Å; K3251-S3254 WeakPolarHBondContact O-CA 3.33Å; K3251-S3254 WeakPolarHBondContact O-CB 3.3Å; K3251-S3254 PolarHBondContact O-N 3.16Å; K3251-S3254 VanDerWaalsContact O-N 3.1Å; K3251-E3255 WeakPolarHBondContact CD-OE1 3.4Å; K3251-E3255 VanDerWaalsContact CE-OE1 3.29Å; K3251-E3255 WeakPolarHBondContact CE-OE1 3.37Å; K3251-E3255 HydrophobicContact CG-CG 4.42Å; K3251-E3255 WeakPolarHBondContact CG-OE1 3.47Å; K3251-E3255 IonicContact NZ-OE1 3.09Å; K3251-E3255 PolarHBondContact NZ-OE1 3.2Å; K3251-E3255 WeakPolarHBondContact O-CB 3.46Å; K3251-E3255 WeakPolarHBondContact O-CG 3.37Å; K3251-E3255 PolarHBondContact O-N 3.27Å
3252R75Confident74.8Confident104.5 Ų104.569.6 Ų69.639%0.39433%0.331SS..Hα-helixtrans-62.6-36.2177.3-169.1122.7-170.9165.16.7112.4D3248 L3249 S3254 E3255 V3256 E3259 E3311 L3315 V3319D3248-R3252 WeakPolarHBondContact O-CB 3.38Å; D3248-R3252 PolarHBondContact O-N 3.19Å; L3249-R3252 PolarHBondContact O-N 3.07Å; R3252-S3254 VanDerWaalsContact C-N 3.31Å; R3252-S3254 PolarHBondContact O-N 3.02Å; R3252-E3255 WeakPolarHBondContact CA-OE2 3.48Å; R3252-E3255 WeakPolarHBondContact CD-OE2 3.15Å; R3252-E3255 IonicContact CZ-OE2 2.76Å; R3252-E3255 IonicContact NH1-OE2 3.22Å; R3252-E3255 PolarHBondContact NH1-OE2 2.93Å; R3252-E3255 PolarHBondContact O-N 3.41Å; R3252-V3256 HydrophobicContact CG-CG2 4.26Å; R3252-V3256 VanDerWaalsContact O-CB 3.27Å; R3252-V3256 WeakPolarHBondContact O-CB 3.35Å; R3252-V3256 VanDerWaalsContact O-CG2 3.26Å; R3252-V3256 WeakPolarHBondContact O-CG2 3.36Å; R3252-V3256 PolarHBondContact O-N 3.18Å; R3252-V3256 VanDerWaalsContact O-N 3.11Å; R3252-E3259 IonicContact NH1-OE1 3.4Å; R3252-E3259 IonicContact NH2-OE1 3.1Å; R3252-E3259 IonicContact NH2-OE2 3.92Å; R3252-E3311 IonicContact CZ-OE1 2.94Å; R3252-E3311 IonicContact NE-OE1 3.01Å; R3252-E3311 IonicContact NH2-OE1 3.16Å; R3252-E3311 PolarHBondContact NH2-OE1 3.4Å; R3252-E3311 IonicContact NH2-OE2 2.9Å; R3252-L3315 HydrophobicContact CB-CD1 4.46Å; R3252-L3315 HydrophobicContact CB-CD2 4.46Å; R3252-L3315 HydrophobicContact CG-CD1 4.09Å; R3252-L3315 HydrophobicContact CG-CD2 4.27Å; R3252-V3319 HydrophobicContact CG-CG2 4.38Å
3253R71.5Confident74.5Confident66.25 Ų66.2570.9 Ų70.925%0.2534%0.337CS..Hα-helixtrans-61.3-43.9173-175.9-169.1126.1-142.5-6.5111.1S3239 L3249 E3250 K3251 V3256 L3257 L3315 V3319 E3320S3239-R3253 PolarHBondContact OG-NH1 3.05Å; L3249-R3253 VanDerWaalsContact O-CB 3.27Å; L3249-R3253 WeakPolarHBondContact O-CB 3.43Å; L3249-R3253 PolarHBondContact O-N 3.13Å; E3250-R3253 VanDerWaalsContact CD-CZ 3.43Å; E3250-R3253 VanDerWaalsContact CD-NH1 3.29Å; E3250-R3253 VanDerWaalsContact CD-NH2 3.3Å; E3250-R3253 WeakPolarHBondContact O-CB 3.18Å; E3250-R3253 PolarHBondContact O-N 2.93Å; E3250-R3253 IonicContact OE1-CZ 3.22Å; E3250-R3253 IonicContact OE1-NH1 3.21Å; E3250-R3253 PolarHBondContact OE1-NH1 3.22Å; E3250-R3253 VanDerWaalsContact OE1-NH1 3.16Å; E3250-R3253 IonicContact OE1-NH2 3.74Å; E3250-R3253 PolarHBondContact OE1-NH2 2.86Å; E3250-R3253 WeakPolarHBondContact OE2-CD 3.41Å; E3250-R3253 IonicContact OE2-CZ 3.18Å; E3250-R3253 VanDerWaalsContact OE2-CZ 3.26Å; E3250-R3253 IonicContact OE2-NE 3.31Å; E3250-R3253 IonicContact OE2-NH1 3.22Å; E3250-R3253 PolarHBondContact OE2-NH1 2.99Å; E3250-R3253 IonicContact OE2-NH2 3.77Å; K3251-R3253 VanDerWaalsContact C-N 3.31Å; K3251-R3253 PolarHBondContact O-N 3.18Å; R3253-V3256 PolarHBondContact O-N 3.44Å; R3253-L3257 VanDerWaalsContact O-CB 3.26Å; R3253-L3257 WeakPolarHBondContact O-CB 3.31Å; R3253-L3257 PolarHBondContact O-N 3.13Å; R3253-L3315 HydrophobicContact CB-CD2 4.19Å; R3253-V3319 HydrophobicContact CB-CG1 3.74Å; R3253-V3319 HydrophobicContact CB-CG2 4.34Å; R3253-V3319 HydrophobicContact CG-CG1 4.25Å; R3253-V3319 HydrophobicContact CG-CG2 4.21Å; R3253-E3320 IonicContact NE-OE2 2.59Å
3254S71.1Confident74.2Confident57.75 Ų57.7568.3 Ų68.340%0.40433%0.329SS..Hα-helixtrans-66.2-46.6178.9-56.40000111.2E3250 K3251 R3252 V3256 L3257 E3258E3250-S3254 PolarHBondContact O-N 3.2Å; E3250-S3254 VanDerWaalsContact O-N 3.07Å; E3250-S3254 PolarHBondContact O-OG 3.16Å; K3251-S3254 WeakPolarHBondContact O-CA 3.33Å; K3251-S3254 WeakPolarHBondContact O-CB 3.3Å; K3251-S3254 PolarHBondContact O-N 3.16Å; K3251-S3254 VanDerWaalsContact O-N 3.1Å; R3252-S3254 VanDerWaalsContact C-N 3.31Å; R3252-S3254 PolarHBondContact O-N 3.02Å; S3254-V3256 PolarHBondContact O-N 3.27Å; S3254-L3257 WeakPolarHBondContact O-CB 3.47Å; S3254-L3257 PolarHBondContact O-N 3.09Å; S3254-L3257 VanDerWaalsContact O-N 3.14Å; S3254-E3258 WeakPolarHBondContact O-CB 3.34Å; S3254-E3258 WeakPolarHBondContact O-CG 3.16Å; S3254-E3258 PolarHBondContact O-N 3.11Å
3255E79.2Confident73.9Confident75.5 Ų75.569 Ų6935%0.35334%0.339SS..Hα-helixtrans-59.7-48.1176.6-69.8169.4174.600112.2K3251 R3252 L3257 E3258 E3259K3251-E3255 WeakPolarHBondContact CD-OE1 3.4Å; K3251-E3255 VanDerWaalsContact CE-OE1 3.29Å; K3251-E3255 WeakPolarHBondContact CE-OE1 3.37Å; K3251-E3255 HydrophobicContact CG-CG 4.42Å; K3251-E3255 WeakPolarHBondContact CG-OE1 3.47Å; K3251-E3255 IonicContact NZ-OE1 3.09Å; K3251-E3255 PolarHBondContact NZ-OE1 3.2Å; K3251-E3255 WeakPolarHBondContact O-CB 3.46Å; K3251-E3255 WeakPolarHBondContact O-CG 3.37Å; K3251-E3255 PolarHBondContact O-N 3.27Å; R3252-E3255 WeakPolarHBondContact CA-OE2 3.48Å; R3252-E3255 WeakPolarHBondContact CD-OE2 3.15Å; R3252-E3255 IonicContact CZ-OE2 2.76Å; R3252-E3255 IonicContact NH1-OE2 3.22Å; R3252-E3255 PolarHBondContact NH1-OE2 2.93Å; R3252-E3255 PolarHBondContact O-N 3.41Å; E3255-L3257 VanDerWaalsContact C-N 3.3Å; E3255-L3257 PolarHBondContact O-N 2.99Å; E3255-E3258 PolarHBondContact O-N 3.24Å; E3255-E3259 WeakPolarHBondContact O-CB 3.42Å; E3255-E3259 WeakPolarHBondContact O-CG 3.17Å; E3255-E3259 PolarHBondContact O-N 2.9Å; E3255-E3259 VanDerWaalsContact O-N 3.08Å
3256V75.8Confident73.7Confident4 Ų472.8 Ų72.82%0.02435%0.351CS..Hα-helixtrans-68.2-30.1179.6171.70000112.1R3252 R3253 S3254 Y3260 E3311 L3315 R3316R3252-V3256 HydrophobicContact CG-CG2 4.26Å; R3252-V3256 VanDerWaalsContact O-CB 3.27Å; R3252-V3256 WeakPolarHBondContact O-CB 3.35Å; R3252-V3256 VanDerWaalsContact O-CG2 3.26Å; R3252-V3256 WeakPolarHBondContact O-CG2 3.36Å; R3252-V3256 PolarHBondContact O-N 3.18Å; R3252-V3256 VanDerWaalsContact O-N 3.11Å; R3253-V3256 PolarHBondContact O-N 3.44Å; S3254-V3256 PolarHBondContact O-N 3.27Å; V3256-Y3260 VanDerWaalsContact O-CB 3.28Å; V3256-Y3260 WeakPolarHBondContact O-CB 3.21Å; V3256-Y3260 PolarHBondContact O-N 3.2Å; V3256-E3311 HydrophobicContact CG1-CB 4.38Å; V3256-E3311 HydrophobicContact CG1-CG 4.15Å; V3256-E3311 HydrophobicContact CG2-CG 4.42Å; V3256-L3315 HydrophobicContact CB-CD1 3.81Å; V3256-L3315 HydrophobicContact CB-CD2 4.02Å; V3256-L3315 HydrophobicContact CG1-CD1 4Å; V3256-L3315 HydrophobicContact CG1-CD2 4.4Å; V3256-L3315 HydrophobicContact CG1-CG 4.36Å; V3256-L3315 HydrophobicContact CG2-CD1 3.57Å; V3256-L3315 HydrophobicContact CG2-CD2 3.72Å; V3256-L3315 HydrophobicContact CG2-CG 3.98Å; V3256-R3316 HydrophobicContact CG1-CB 3.94Å
3257L70.4Confident73.5Confident56 Ų5671.3 Ų71.329%0.29334%0.343SS..Hα-helixtrans-69.1-46.2174.1-167.681.5000110.6K3134 R3253 S3254 E3255 E3259 Y3260 E3261K3134-L3257 HydrophobicContact CD-CD2 3.74Å; R3253-L3257 VanDerWaalsContact O-CB 3.26Å; R3253-L3257 WeakPolarHBondContact O-CB 3.31Å; R3253-L3257 PolarHBondContact O-N 3.13Å; S3254-L3257 WeakPolarHBondContact O-CB 3.47Å; S3254-L3257 PolarHBondContact O-N 3.09Å; S3254-L3257 VanDerWaalsContact O-N 3.14Å; E3255-L3257 VanDerWaalsContact C-N 3.3Å; E3255-L3257 PolarHBondContact O-N 2.99Å; L3257-E3259 VanDerWaalsContact C-N 3.31Å; L3257-E3259 PolarHBondContact O-N 3.23Å; L3257-Y3260 WeakPolarHBondContact O-CB 3.31Å; L3257-Y3260 PolarHBondContact O-N 2.95Å; L3257-E3261 WeakPolarHBondContact CD2-OE1 3.32Å; L3257-E3261 HydrophobicContact CG-CG 4.36Å; L3257-E3261 WeakPolarHBondContact CG-OE1 3.37Å; L3257-E3261 WeakPolarHBondContact O-CB 3.45Å; L3257-E3261 WeakPolarHBondContact O-CG 3.4Å; L3257-E3261 PolarHBondContact O-N 3.1Å
3258E72.5Confident73.2Confident135 Ų13572.7 Ų72.763%0.63135%0.345SS*.Hα-helixtrans-61.6-44.1177-150.4175.4-172.800111.6R3135 S3254 E3255 Y3260 E3261 D3262R3135-E3258 PolarHBondContact NH2-O 3.16Å; R3135-E3258 VanDerWaalsContact NH2-O 3.12Å; S3254-E3258 WeakPolarHBondContact O-CB 3.34Å; S3254-E3258 WeakPolarHBondContact O-CG 3.16Å; S3254-E3258 PolarHBondContact O-N 3.11Å; E3255-E3258 PolarHBondContact O-N 3.24Å; E3258-Y3260 VanDerWaalsContact C-N 3.33Å; E3258-Y3260 PolarHBondContact O-N 2.97Å; E3258-E3261 PolarHBondContact O-N 2.92Å; E3258-D3262 WeakPolarHBondContact O-CB 3.34Å; E3258-D3262 PolarHBondContact O-N 3.09Å
3259E74.3Confident72.9Confident104.75 Ų104.7569.8 Ų69.849%0.48933%0.334SS..Hα-helixtrans-60.6-42.6173.3-74.9-179.7175.500112R3252 E3255 L3257 E3261 D3262 M3263R3252-E3259 IonicContact NH1-OE1 3.4Å; R3252-E3259 IonicContact NH2-OE1 3.1Å; R3252-E3259 IonicContact NH2-OE2 3.92Å; E3255-E3259 WeakPolarHBondContact O-CB 3.42Å; E3255-E3259 WeakPolarHBondContact O-CG 3.17Å; E3255-E3259 PolarHBondContact O-N 2.9Å; E3255-E3259 VanDerWaalsContact O-N 3.08Å; L3257-E3259 VanDerWaalsContact C-N 3.31Å; L3257-E3259 PolarHBondContact O-N 3.23Å; E3259-E3261 VanDerWaalsContact C-N 3.32Å; E3259-E3261 PolarHBondContact O-N 3.09Å; E3259-D3262 PolarHBondContact O-N 3.11Å; E3259-M3263 VanDerWaalsContact O-CB 3.28Å; E3259-M3263 WeakPolarHBondContact O-CB 3.4Å; E3259-M3263 WeakPolarHBondContact O-CG 3.42Å; E3259-M3263 PolarHBondContact O-N 2.91Å; E3259-M3263 VanDerWaalsContact O-N 3.12Å
3260Y72.4Confident72.7Confident55.75 Ų55.7569.9 Ų69.922%0.21934%0.336CS..Hα-helixtrans-65-41.4177.7176-94.7000111.9V3256 L3257 E3258 M3263 K3264 L3305 M3309V3256-Y3260 VanDerWaalsContact O-CB 3.28Å; V3256-Y3260 WeakPolarHBondContact O-CB 3.21Å; V3256-Y3260 PolarHBondContact O-N 3.2Å; L3257-Y3260 WeakPolarHBondContact O-CB 3.31Å; L3257-Y3260 PolarHBondContact O-N 2.95Å; E3258-Y3260 VanDerWaalsContact C-N 3.33Å; E3258-Y3260 PolarHBondContact O-N 2.97Å; Y3260-M3263 PolarHBondContact O-N 3.19Å; Y3260-K3264 HydrophobicContact CE1-CD 4.4Å; Y3260-K3264 VanDerWaalsContact O-CB 3.3Å; Y3260-K3264 WeakPolarHBondContact O-CB 3.33Å; Y3260-K3264 PolarHBondContact O-N 3.15Å; Y3260-K3264 VanDerWaalsContact O-N 3.09Å; Y3260-L3305 HydrophobicContact CD2-CD2 4.11Å; Y3260-L3305 HydrophobicContact CE2-CD2 3.74Å; Y3260-L3305 HydrophobicContact CE2-CG 4.34Å; Y3260-M3309 HydrophobicContact CD2-CB 4.35Å; Y3260-M3309 HydrophobicContact CE2-CB 4.02Å; Y3260-M3309 HydrophobicContact CE2-CG 4.29Å
3261E70.4Confident72.8Confident81 Ų8172.9 Ų72.938%0.37935%0.35SS..Hα-helixtrans-66.9-45.4178.4-72.9175.2-17400111.7L3131 R3135 L3257 E3258 E3259 M3263 K3264 C3265L3131-E3261 HydrophobicContact CB-CB 4.39Å; L3131-E3261 HydrophobicContact CB-CG 4.02Å; L3131-E3261 HydrophobicContact CD1-CB 3.95Å; L3131-E3261 HydrophobicContact CD1-CG 3.73Å; L3131-E3261 HydrophobicContact CD2-CB 4.47Å; L3131-E3261 HydrophobicContact CD2-CG 3.39Å; L3131-E3261 WeakPolarHBondContact CD2-OE1 3.26Å; L3131-E3261 HydrophobicContact CG-CB 4.43Å; L3131-E3261 HydrophobicContact CG-CG 3.82Å; R3135-E3261 IonicContact CZ-OE2 3.31Å; R3135-E3261 IonicContact NE-OE2 2.61Å; R3135-E3261 PolarHBondContact NE-OE2 3.33Å; R3135-E3261 VanDerWaalsContact NH2-CB 3.31Å; R3135-E3261 IonicContact NH2-OE2 2.82Å; L3257-E3261 WeakPolarHBondContact CD2-OE1 3.32Å; L3257-E3261 HydrophobicContact CG-CG 4.36Å; L3257-E3261 WeakPolarHBondContact CG-OE1 3.37Å; L3257-E3261 WeakPolarHBondContact O-CB 3.45Å; L3257-E3261 WeakPolarHBondContact O-CG 3.4Å; L3257-E3261 PolarHBondContact O-N 3.1Å; E3258-E3261 PolarHBondContact O-N 2.92Å; E3259-E3261 VanDerWaalsContact C-N 3.32Å; E3259-E3261 PolarHBondContact O-N 3.09Å; E3261-M3263 VanDerWaalsContact C-N 3.29Å; E3261-M3263 PolarHBondContact O-N 3.16Å; E3261-K3264 PolarHBondContact O-N 3.08Å; E3261-C3265 PolarHBondContact O-N 3.2Å; E3261-C3265 PolarHBondContact O-SG 3.02Å
3262D74.8Confident72.5Confident76.5 Ų76.573.5 Ų73.541%0.40936%0.355SS..Hα-helixtrans-59.2-46.1174.7-177.760.3000111.3E3258 E3259 K3264 C3265 R3266E3258-D3262 WeakPolarHBondContact O-CB 3.34Å; E3258-D3262 PolarHBondContact O-N 3.09Å; E3259-D3262 PolarHBondContact O-N 3.11Å; D3262-K3264 VanDerWaalsContact C-N 3.29Å; D3262-K3264 PolarHBondContact O-N 3.02Å; D3262-C3265 PolarHBondContact O-N 3.11Å; D3262-R3266 VanDerWaalsContact CG-CD 3.42Å; D3262-R3266 WeakPolarHBondContact O-CB 3.38Å; D3262-R3266 VanDerWaalsContact O-CG 3.27Å; D3262-R3266 WeakPolarHBondContact O-CG 3.38Å; D3262-R3266 PolarHBondContact O-N 3.1Å; D3262-R3266 VanDerWaalsContact OD1-CD 3.26Å; D3262-R3266 WeakPolarHBondContact OD1-CD 3.34Å; D3262-R3266 IonicContact OD1-NH2 2.73Å; D3262-R3266 VanDerWaalsContact OD2-CD 3.27Å; D3262-R3266 WeakPolarHBondContact OD2-CD 3.23Å; D3262-R3266 IonicContact OD2-CZ 3.54Å; D3262-R3266 IonicContact OD2-NE 2.6Å; D3262-R3266 IonicContact OD2-NH1 3.21Å; D3262-R3266 PolarHBondContact OD2-NH1 3.2Å; D3262-R3266 IonicContact OD2-NH2 2.63Å; D3262-R3266 PolarHBondContact OD2-NH2 2.76Å
3263M74.6Confident72.3Confident29 Ų2970.5 Ų70.514%0.14335%0.352CS..Hα-helixtrans-65.3-33.6179.3-68.9-70.5-72.700112.4E3259 Y3260 E3261 R3266 L3267 K3304 L3305 A3308 M3309E3259-M3263 VanDerWaalsContact O-CB 3.28Å; E3259-M3263 WeakPolarHBondContact O-CB 3.4Å; E3259-M3263 WeakPolarHBondContact O-CG 3.42Å; E3259-M3263 PolarHBondContact O-N 2.91Å; E3259-M3263 VanDerWaalsContact O-N 3.12Å; Y3260-M3263 PolarHBondContact O-N 3.19Å; E3261-M3263 VanDerWaalsContact C-N 3.29Å; E3261-M3263 PolarHBondContact O-N 3.16Å; M3263-R3266 PolarHBondContact O-N 3.29Å; M3263-L3267 WeakPolarHBondContact O-CB 3.33Å; M3263-L3267 PolarHBondContact O-N 3.13Å; M3263-K3304 HydrophobicContact CE-CB 3.43Å; M3263-K3304 VanDerWaalsContact CE-CB 3.43Å; M3263-K3304 HydrophobicContact CE-CD 3.94Å; M3263-K3304 HydrophobicContact CE-CG 4.35Å; M3263-L3305 HydrophobicContact CB-CD1 4.24Å; M3263-L3305 HydrophobicContact CB-CG 4.15Å; M3263-L3305 HydrophobicContact CE-CB 4.31Å; M3263-L3305 HydrophobicContact CE-CD2 3.37Å; M3263-L3305 VanDerWaalsContact CE-CD2 3.46Å; M3263-L3305 HydrophobicContact CE-CG 4.41Å; M3263-L3305 WeakPolarHBondContact O-CD1 3.38Å; M3263-L3305 HydrophobicContact SD-CD2 3.43Å; M3263-L3305 VanDerWaalsContact SD-CD2 3.58Å; M3263-L3305 WeakPolarHBondContact SD-CD2 3.42Å; M3263-A3308 HydrophobicContact CE-CB 3.35Å; M3263-M3309 VanDerWaalsContact C-CE 3.5Å; M3263-M3309 HydrophobicContact CB-CE 4.31Å; M3263-M3309 HydrophobicContact CB-CG 4.44Å; M3263-M3309 VanDerWaalsContact O-CE 3.25Å; M3263-M3309 WeakPolarHBondContact O-CE 3.39Å
3264K71.2Confident72.1Confident78 Ų7868.7 Ų68.734%0.33935%0.347SS..Hα-helixtrans-69.1-47.5174.8-171.1178.8176.4-153.10111.9D3127 L3131 Y3260 E3261 D3262 R3266 L3267 E3268 L3305 M3309D3127-K3264 IonicContact OD2-NZ 2.82Å; D3127-K3264 PolarHBondContact OD2-NZ 2.85Å; L3131-K3264 HydrophobicContact CD1-CD 4.19Å; Y3260-K3264 HydrophobicContact CE1-CD 4.4Å; Y3260-K3264 VanDerWaalsContact O-CB 3.3Å; Y3260-K3264 WeakPolarHBondContact O-CB 3.33Å; Y3260-K3264 PolarHBondContact O-N 3.15Å; Y3260-K3264 VanDerWaalsContact O-N 3.09Å; E3261-K3264 PolarHBondContact O-N 3.08Å; D3262-K3264 VanDerWaalsContact C-N 3.29Å; D3262-K3264 PolarHBondContact O-N 3.02Å; K3264-R3266 VanDerWaalsContact C-N 3.29Å; K3264-R3266 PolarHBondContact O-N 2.97Å; K3264-L3267 WeakPolarHBondContact O-CB 3.24Å; K3264-L3267 PolarHBondContact O-N 3.32Å; K3264-L3267 VanDerWaalsContact O-N 3.15Å; K3264-E3268 VanDerWaalsContact CE-OE1 3.27Å; K3264-E3268 WeakPolarHBondContact CE-OE1 3.3Å; K3264-E3268 IonicContact NZ-OE1 2.77Å; K3264-E3268 PolarHBondContact NZ-OE1 3.01Å; K3264-E3268 IonicContact NZ-OE2 3.38Å; K3264-E3268 PolarHBondContact NZ-OE2 3.48Å; K3264-E3268 WeakPolarHBondContact O-CG 3.35Å; K3264-E3268 PolarHBondContact O-N 3.13Å; K3264-L3305 HydrophobicContact CB-CD1 4.15Å; K3264-L3305 HydrophobicContact CG-CD1 4.48Å; K3264-M3309 VanDerWaalsContact CA-CE 3.43Å; K3264-M3309 HydrophobicContact CB-CE 3.92Å; K3264-M3309 HydrophobicContact CG-CE 4.34Å
3265C70.4Confident71.9Confident66 Ų6670.6 Ų70.645%0.44635%0.352SS..Hα-helixtrans-58.2-41.3173.8-670000111.4E3261 D3262 L3267 E3268 S3269E3261-C3265 PolarHBondContact O-N 3.2Å; E3261-C3265 PolarHBondContact O-SG 3.02Å; D3262-C3265 PolarHBondContact O-N 3.11Å; C3265-L3267 PolarHBondContact O-N 3.08Å; C3265-E3268 PolarHBondContact O-N 3.16Å; C3265-S3269 WeakPolarHBondContact O-CB 3.29Å; C3265-S3269 PolarHBondContact O-N 3.35Å; C3265-S3269 PolarHBondContact O-OG 3.4Å
3266R72.4Confident71.4Confident123.5 Ų123.570.2 Ų70.247%0.46636%0.358SS..Hα-helixtrans-63.9-43175.9-74.7177.586163.75.7112.3D3262 M3263 K3264 S3269 T3270 L3305D3262-R3266 VanDerWaalsContact CG-CD 3.42Å; D3262-R3266 WeakPolarHBondContact O-CB 3.38Å; D3262-R3266 VanDerWaalsContact O-CG 3.27Å; D3262-R3266 WeakPolarHBondContact O-CG 3.38Å; D3262-R3266 PolarHBondContact O-N 3.1Å; D3262-R3266 VanDerWaalsContact OD1-CD 3.26Å; D3262-R3266 WeakPolarHBondContact OD1-CD 3.34Å; D3262-R3266 IonicContact OD1-NH2 2.73Å; D3262-R3266 VanDerWaalsContact OD2-CD 3.27Å; D3262-R3266 WeakPolarHBondContact OD2-CD 3.23Å; D3262-R3266 IonicContact OD2-CZ 3.54Å; D3262-R3266 IonicContact OD2-NE 2.6Å; D3262-R3266 IonicContact OD2-NH1 3.21Å; D3262-R3266 PolarHBondContact OD2-NH1 3.2Å; D3262-R3266 IonicContact OD2-NH2 2.63Å; D3262-R3266 PolarHBondContact OD2-NH2 2.76Å; M3263-R3266 PolarHBondContact O-N 3.29Å; K3264-R3266 VanDerWaalsContact C-N 3.29Å; K3264-R3266 PolarHBondContact O-N 2.97Å; R3266-S3269 WeakPolarHBondContact CA-OG 3.4Å; R3266-S3269 PolarHBondContact O-N 3.03Å; R3266-S3269 PolarHBondContact O-OG 3.07Å; R3266-T3270 VanDerWaalsContact O-CG2 3.29Å; R3266-T3270 WeakPolarHBondContact O-CG2 3.34Å; R3266-T3270 PolarHBondContact O-N 3.09Å; R3266-T3270 PolarHBondContact O-OG1 3.11Å; R3266-T3270 VanDerWaalsContact O-OG1 3.09Å; R3266-L3305 HydrophobicContact CB-CD1 4.32Å; R3266-L3305 HydrophobicContact CB-CD2 4.49Å
3267L73.2Confident71Confident26.25 Ų26.2572.8 Ų72.814%0.13737%0.37CS..Hα-helixtrans-60.5-50.7177.1-174.8115.6000111M3263 K3264 C3265 S3269 T3270 E3271 L3305 E3306 M3309M3263-L3267 WeakPolarHBondContact O-CB 3.33Å; M3263-L3267 PolarHBondContact O-N 3.13Å; K3264-L3267 WeakPolarHBondContact O-CB 3.24Å; K3264-L3267 PolarHBondContact O-N 3.32Å; K3264-L3267 VanDerWaalsContact O-N 3.15Å; C3265-L3267 PolarHBondContact O-N 3.08Å; L3267-S3269 VanDerWaalsContact C-N 3.32Å; L3267-S3269 PolarHBondContact O-N 2.95Å; L3267-T3270 WeakPolarHBondContact CA-OG1 3.49Å; L3267-T3270 CarbonylContact O-C 3.55Å; L3267-T3270 PolarHBondContact O-N 3.26Å; L3267-T3270 VanDerWaalsContact O-N 3.12Å; L3267-T3270 PolarHBondContact O-OG1 3.18Å; L3267-E3271 HydrophobicContact CD2-CG 4.29Å; L3267-E3271 WeakPolarHBondContact CD2-OE1 3.4Å; L3267-E3271 HydrophobicContact CG-CG 4.48Å; L3267-E3271 WeakPolarHBondContact O-CG 3.43Å; L3267-E3271 PolarHBondContact O-N 3.19Å; L3267-L3305 HydrophobicContact CB-CD1 4.06Å; L3267-L3305 HydrophobicContact CD1-CB 4.12Å; L3267-L3305 HydrophobicContact CD1-CD1 3.96Å; L3267-L3305 HydrophobicContact CG-CD1 4.37Å; L3267-E3306 HydrophobicContact CD1-CG 4.2Å; L3267-M3309 HydrophobicContact CB-CE 3.79Å; L3267-M3309 HydrophobicContact CD1-CE 4.02Å; L3267-M3309 HydrophobicContact CD1-SD 4.18Å; L3267-M3309 HydrophobicContact CD2-CE 4.34Å; L3267-M3309 HydrophobicContact CG-CE 4.37Å
3268E70.3Confident70.7Confident85.25 Ų85.2573.2 Ų73.240%0.39837%0.372SS..Hα-helixtrans-57.8-44.2177.2-70.7175.7-179.100111.1V3128 K3264 C3265 T3270 E3271 E3272V3128-E3268 WeakPolarHBondContact CG2-OE2 3.48Å; K3264-E3268 VanDerWaalsContact CE-OE1 3.27Å; K3264-E3268 WeakPolarHBondContact CE-OE1 3.3Å; K3264-E3268 IonicContact NZ-OE1 2.77Å; K3264-E3268 PolarHBondContact NZ-OE1 3.01Å; K3264-E3268 IonicContact NZ-OE2 3.38Å; K3264-E3268 PolarHBondContact NZ-OE2 3.48Å; K3264-E3268 WeakPolarHBondContact O-CG 3.35Å; K3264-E3268 PolarHBondContact O-N 3.13Å; C3265-E3268 PolarHBondContact O-N 3.16Å; E3268-T3270 VanDerWaalsContact C-N 3.32Å; E3268-T3270 PolarHBondContact O-N 3.15Å; E3268-E3271 PolarHBondContact O-N 3.18Å; E3268-E3271 VanDerWaalsContact O-N 3.16Å; E3268-E3272 WeakPolarHBondContact O-CB 3.5Å; E3268-E3272 PolarHBondContact O-N 3.26Å
3269S71.7Confident70.4Confident62.25 Ų62.2570.1 Ų70.144%0.43537%0.369SS..Hα-helixtrans-63.8-35.4176.175.10000113.5C3265 R3266 L3267 A3273C3265-S3269 WeakPolarHBondContact O-CB 3.29Å; C3265-S3269 PolarHBondContact O-N 3.35Å; C3265-S3269 PolarHBondContact O-OG 3.4Å; R3266-S3269 WeakPolarHBondContact CA-OG 3.4Å; R3266-S3269 PolarHBondContact O-N 3.03Å; R3266-S3269 PolarHBondContact O-OG 3.07Å; L3267-S3269 VanDerWaalsContact C-N 3.32Å; L3267-S3269 PolarHBondContact O-N 2.95Å; S3269-A3273 VanDerWaalsContact O-CB 3.27Å; S3269-A3273 WeakPolarHBondContact O-CB 3.37Å; S3269-A3273 PolarHBondContact O-N 3.23Å; S3269-A3273 VanDerWaalsContact O-N 3.08Å
3270T70.7Confident69.9Low26.25 Ų26.2570.1 Ų70.116%0.16138%0.376CS..Hα-helixtrans-73.3-33.3175.954.60000112.1R3266 L3267 E3268 A3273 I3274 L3305R3266-T3270 VanDerWaalsContact O-CG2 3.29Å; R3266-T3270 WeakPolarHBondContact O-CG2 3.34Å; R3266-T3270 PolarHBondContact O-N 3.09Å; R3266-T3270 PolarHBondContact O-OG1 3.11Å; R3266-T3270 VanDerWaalsContact O-OG1 3.09Å; L3267-T3270 WeakPolarHBondContact CA-OG1 3.49Å; L3267-T3270 CarbonylContact O-C 3.55Å; L3267-T3270 PolarHBondContact O-N 3.26Å; L3267-T3270 VanDerWaalsContact O-N 3.12Å; L3267-T3270 PolarHBondContact O-OG1 3.18Å; E3268-T3270 VanDerWaalsContact C-N 3.32Å; E3268-T3270 PolarHBondContact O-N 3.15Å; T3270-A3273 PolarHBondContact O-N 3.09Å; T3270-I3274 WeakPolarHBondContact O-CB 3.41Å; T3270-I3274 WeakPolarHBondContact O-CD1 3.2Å; T3270-I3274 VanDerWaalsContact O-CG1 3.25Å; T3270-I3274 WeakPolarHBondContact O-CG1 3.36Å; T3270-I3274 PolarHBondContact O-N 3.04Å; T3270-L3305 HydrophobicContact CG2-CD1 4.38Å
3271E69.9Low69.1Low89 Ų8969.6 Ų69.642%0.41638%0.377SS..Hα-helixtrans-68.2-43.8173.7-71.8-174.3157.400111.1R3065 L3267 E3268 A3273 I3274 L3275R3065-E3271 IonicContact CZ-OE1 3.16Å; R3065-E3271 VanDerWaalsContact CZ-OE1 3.31Å; R3065-E3271 IonicContact NH1-OE1 3.09Å; R3065-E3271 PolarHBondContact NH1-OE1 3.06Å; R3065-E3271 IonicContact NH2-OE1 2.64Å; R3065-E3271 PolarHBondContact NH2-OE1 2.71Å; L3267-E3271 HydrophobicContact CD2-CG 4.29Å; L3267-E3271 WeakPolarHBondContact CD2-OE1 3.4Å; L3267-E3271 HydrophobicContact CG-CG 4.48Å; L3267-E3271 WeakPolarHBondContact O-CG 3.43Å; L3267-E3271 PolarHBondContact O-N 3.19Å; E3268-E3271 PolarHBondContact O-N 3.18Å; E3268-E3271 VanDerWaalsContact O-N 3.16Å; E3271-A3273 VanDerWaalsContact C-N 3.34Å; E3271-A3273 PolarHBondContact O-N 3.14Å; E3271-I3274 PolarHBondContact O-N 3.07Å; E3271-I3274 VanDerWaalsContact O-N 3.17Å; E3271-L3275 WeakPolarHBondContact O-CB 3.35Å; E3271-L3275 WeakPolarHBondContact O-CG 3.29Å; E3271-L3275 PolarHBondContact O-N 3.05Å
3272E71.2Confident68.5Low141.75 Ų141.7574.1 Ų74.166%0.66240%0.396SS*.Hα-helixtrans-62.4-40.4174.2-117.7179.8-171.700111.9E3268 I3274 L3275 S3276E3268-E3272 WeakPolarHBondContact O-CB 3.5Å; E3268-E3272 PolarHBondContact O-N 3.26Å; E3272-I3274 VanDerWaalsContact C-N 3.35Å; E3272-I3274 PolarHBondContact O-N 2.92Å; E3272-L3275 PolarHBondContact O-N 3.08Å; E3272-S3276 VanDerWaalsContact O-CB 3.28Å; E3272-S3276 WeakPolarHBondContact O-CB 3.32Å; E3272-S3276 PolarHBondContact O-N 3.13Å; E3272-S3276 PolarHBondContact O-OG 2.84Å
3273A69.5Low67.8Low40.75 Ų40.7572.9 Ų72.934%0.33740%0.401SS..Hα-helixtrans-62-43.8174.400000112.1S3269 T3270 E3271 L3275 S3276 Q3277 T3294S3269-A3273 VanDerWaalsContact O-CB 3.27Å; S3269-A3273 WeakPolarHBondContact O-CB 3.37Å; S3269-A3273 PolarHBondContact O-N 3.23Å; S3269-A3273 VanDerWaalsContact O-N 3.08Å; T3270-A3273 PolarHBondContact O-N 3.09Å; E3271-A3273 VanDerWaalsContact C-N 3.34Å; E3271-A3273 PolarHBondContact O-N 3.14Å; A3273-L3275 PolarHBondContact O-N 3.2Å; A3273-S3276 PolarHBondContact O-N 3.09Å; A3273-S3276 PolarHBondContact O-OG 3.23Å; A3273-Q3277 WeakPolarHBondContact O-CB 3.26Å; A3273-Q3277 VanDerWaalsContact O-CG 3.29Å; A3273-Q3277 WeakPolarHBondContact O-CG 3.3Å; A3273-Q3277 PolarHBondContact O-N 3.26Å; A3273-T3294 HydrophobicContact CB-CG2 4.07Å
3274I68Low67Low28.75 Ų28.7573.7 Ų73.715%0.14742%0.416CS..Hα-helixtrans-62.2-45.6175.5-70.1164000110.5W3066 T3270 E3271 E3272 S3276 Q3277 L3278 T3294 L3295 A3298W3066-I3274 HydrophobicContact CH2-CG2 4.47Å; T3270-I3274 WeakPolarHBondContact O-CB 3.41Å; T3270-I3274 WeakPolarHBondContact O-CD1 3.2Å; T3270-I3274 VanDerWaalsContact O-CG1 3.25Å; T3270-I3274 WeakPolarHBondContact O-CG1 3.36Å; T3270-I3274 PolarHBondContact O-N 3.04Å; E3271-I3274 PolarHBondContact O-N 3.07Å; E3271-I3274 VanDerWaalsContact O-N 3.17Å; E3272-I3274 VanDerWaalsContact C-N 3.35Å; E3272-I3274 PolarHBondContact O-N 2.92Å; I3274-S3276 PolarHBondContact O-N 2.84Å; I3274-Q3277 PolarHBondContact O-N 3.09Å; I3274-L3278 HydrophobicContact CG2-CD1 3.84Å; I3274-L3278 HydrophobicContact CG2-CG 4.35Å; I3274-L3278 VanDerWaalsContact O-CB 3.29Å; I3274-L3278 WeakPolarHBondContact O-CB 3.46Å; I3274-L3278 VanDerWaalsContact O-CG 3.26Å; I3274-L3278 WeakPolarHBondContact O-CG 3.39Å; I3274-L3278 PolarHBondContact O-N 3Å; I3274-T3294 HydrophobicContact CG1-CG2 3.88Å; I3274-L3295 HydrophobicContact CD1-CD1 4.32Å; I3274-L3295 HydrophobicContact CD1-CG 4.44Å; I3274-L3295 HydrophobicContact CG2-CD1 4.22Å; I3274-L3295 HydrophobicContact CG2-CG 4.27Å; I3274-A3298 HydrophobicContact CD1-CB 3.72Å; I3274-A3298 VanDerWaalsContact CD1-CB 3.42Å; I3274-A3298 HydrophobicContact CG1-CB 3.72Å
3275L66.9Low66.4Low97 Ų9774.6 Ų74.651%0.50842%0.424SS..Hα-helixtrans-63.9-41.3179.2-73.8170000112W3066 E3271 E3272 A3273 L3278 A3279W3066-L3275 HydrophobicContact CD2-CD2 4.47Å; W3066-L3275 HydrophobicContact CH2-CD2 3.9Å; W3066-L3275 HydrophobicContact CZ2-CD2 3.79Å; W3066-L3275 HydrophobicContact CZ2-CG 4.44Å; W3066-L3275 HydrophobicContact CZ3-CD2 4.25Å; E3271-L3275 WeakPolarHBondContact O-CB 3.35Å; E3271-L3275 WeakPolarHBondContact O-CG 3.29Å; E3271-L3275 PolarHBondContact O-N 3.05Å; E3272-L3275 PolarHBondContact O-N 3.08Å; A3273-L3275 PolarHBondContact O-N 3.2Å; L3275-L3278 PolarHBondContact O-N 2.88Å; L3275-A3279 WeakPolarHBondContact O-CB 3.39Å; L3275-A3279 PolarHBondContact O-N 3.19Å; L3275-A3279 VanDerWaalsContact O-N 3.08Å
3276S69.4Low65.7Low67.25 Ų67.2577.9 Ų77.947%0.4744%0.437SS..Hα-helixtrans-65-43.9176.7127.20000112.3E3272 A3273 I3274 L3278 A3279 T3280E3272-S3276 VanDerWaalsContact O-CB 3.28Å; E3272-S3276 WeakPolarHBondContact O-CB 3.32Å; E3272-S3276 PolarHBondContact O-N 3.13Å; E3272-S3276 PolarHBondContact O-OG 2.84Å; A3273-S3276 PolarHBondContact O-N 3.09Å; A3273-S3276 PolarHBondContact O-OG 3.23Å; I3274-S3276 PolarHBondContact O-N 2.84Å; S3276-L3278 PolarHBondContact O-N 3.24Å; S3276-A3279 WeakPolarHBondContact O-CB 3.36Å; S3276-A3279 PolarHBondContact O-N 2.94Å; S3276-T3280 WeakPolarHBondContact O-CB 3.3Å; S3276-T3280 PolarHBondContact O-N 3.1Å; S3276-T3280 PolarHBondContact O-OG1 2.94Å
3277Q67.7Low65.2Low59.5 Ų59.580.1 Ų80.128%0.27845%0.452SS..Hα-helixtrans-64.2-43.8176.6-75.6-178.9-8.500111.4A3273 I3274 A3279 T3280 L3281 L3291 T3294A3273-Q3277 WeakPolarHBondContact O-CB 3.26Å; A3273-Q3277 VanDerWaalsContact O-CG 3.29Å; A3273-Q3277 WeakPolarHBondContact O-CG 3.3Å; A3273-Q3277 PolarHBondContact O-N 3.26Å; I3274-Q3277 PolarHBondContact O-N 3.09Å; Q3277-A3279 VanDerWaalsContact C-N 3.3Å; Q3277-A3279 PolarHBondContact O-N 3.15Å; Q3277-T3280 PolarHBondContact O-N 3.03Å; Q3277-T3280 VanDerWaalsContact O-N 3.12Å; Q3277-T3280 PolarHBondContact O-OG1 3.22Å; Q3277-L3281 WeakPolarHBondContact O-CB 3.2Å; Q3277-L3281 WeakPolarHBondContact O-CD1 3.28Å; Q3277-L3281 WeakPolarHBondContact O-CG 3.27Å; Q3277-L3281 PolarHBondContact O-N 3.28Å; Q3277-L3291 HydrophobicContact CB-CD1 4.06Å; Q3277-L3291 HydrophobicContact CB-CD2 4.07Å; Q3277-L3291 HydrophobicContact CB-CG 4.35Å; Q3277-T3294 PolarHBondContact NE2-OG1 3.17Å; Q3277-T3294 VanDerWaalsContact OE1-CB 3.31Å; Q3277-T3294 PolarHBondContact OE1-OG1 3.07Å
3278L63.7Low64.7Low64.25 Ų64.2581.7 Ų81.734%0.33646%0.461SS..Hα-helixtrans-60.2-39.3174-75.4169.3000112.1W3066 I3274 L3275 S3276 T3280 L3281 L3291 L3295W3066-L3278 HydrophobicContact CH2-CD1 3.5Å; W3066-L3278 VanDerWaalsContact CH2-CD1 3.5Å; W3066-L3278 HydrophobicContact CZ3-CD1 3.83Å; I3274-L3278 HydrophobicContact CG2-CD1 3.84Å; I3274-L3278 HydrophobicContact CG2-CG 4.35Å; I3274-L3278 VanDerWaalsContact O-CB 3.29Å; I3274-L3278 WeakPolarHBondContact O-CB 3.46Å; I3274-L3278 VanDerWaalsContact O-CG 3.26Å; I3274-L3278 WeakPolarHBondContact O-CG 3.39Å; I3274-L3278 PolarHBondContact O-N 3Å; L3275-L3278 PolarHBondContact O-N 2.88Å; S3276-L3278 PolarHBondContact O-N 3.24Å; L3278-T3280 VanDerWaalsContact C-N 3.34Å; L3278-T3280 PolarHBondContact O-N 3.15Å; L3278-L3281 HydrophobicContact CD2-CD1 4.31Å; L3278-L3291 HydrophobicContact CD2-CD1 3.98Å; L3278-L3291 HydrophobicContact CD2-CD2 4.29Å; L3278-L3291 HydrophobicContact CG-CD1 4.05Å; L3278-L3295 HydrophobicContact CD2-CD1 4.17Å; L3278-L3295 HydrophobicContact CG-CD1 4.29Å
3279A65Low64.5Low68.5 Ų68.582.1 Ų82.157%0.56647%0.472SS*.Hα-helixtrans-69.8-28179.200000113.6K2783 L3275 S3276 Q3277K2783-A3279 PolarHBondContact NZ-O 2.8Å; L3275-A3279 WeakPolarHBondContact O-CB 3.39Å; L3275-A3279 PolarHBondContact O-N 3.19Å; L3275-A3279 VanDerWaalsContact O-N 3.08Å; S3276-A3279 WeakPolarHBondContact O-CB 3.36Å; S3276-A3279 PolarHBondContact O-N 2.94Å; Q3277-A3279 VanDerWaalsContact C-N 3.3Å; Q3277-A3279 PolarHBondContact O-N 3.15Å
3280T64.1Low64.2Low105 Ų10586 Ų8664%0.64448%0.483SS*.Hα-helixtrans-88.2-14.2-174.3-29.80000113.6S3276 Q3277 L3278 K3282S3276-T3280 WeakPolarHBondContact O-CB 3.3Å; S3276-T3280 PolarHBondContact O-N 3.1Å; S3276-T3280 PolarHBondContact O-OG1 2.94Å; Q3277-T3280 PolarHBondContact O-N 3.03Å; Q3277-T3280 VanDerWaalsContact O-N 3.12Å; Q3277-T3280 PolarHBondContact O-OG1 3.22Å; L3278-T3280 VanDerWaalsContact C-N 3.34Å; L3278-T3280 PolarHBondContact O-N 3.15Å; T3280-K3282 PolarHBondContact O-N 3.06Å; T3280-K3282 VanDerWaalsContact O-N 3.12Å
3281L55.9Low63.9Low46.25 Ų46.2585.7 Ų85.724%0.24248%0.481CS..  trans-62117.4-179.1-92.2163.6000113.4K2783 Q3277 L3278 D3288 L3291K2783-L3281 PolarHBondContact NZ-O 2.79Å; Q3277-L3281 WeakPolarHBondContact O-CB 3.2Å; Q3277-L3281 WeakPolarHBondContact O-CD1 3.28Å; Q3277-L3281 WeakPolarHBondContact O-CG 3.27Å; Q3277-L3281 PolarHBondContact O-N 3.28Å; L3278-L3281 HydrophobicContact CD2-CD1 4.31Å; L3281-D3288 HydrophobicContact CD2-CB 4.27Å; L3281-D3288 WeakPolarHBondContact CD2-OD2 3.3Å; L3281-L3291 HydrophobicContact CD1-CD1 3.73Å; L3281-L3291 HydrophobicContact CD1-CD2 3.89Å; L3281-L3291 HydrophobicContact CD1-CG 4.33Å; L3281-L3291 HydrophobicContact CD2-CD1 3.79Å; L3281-L3291 HydrophobicContact CG-CD1 3.68Å; L3281-L3291 VanDerWaalsContact CG-CD1 3.47Å
3282K57.3Low63.7Low175.5 Ų175.585.2 Ų85.276%0.76348%0.481SS*.  trans-102.5-3.1171.7-72.9-176.2177.5177.70114K2783 E2786 H3074 E3078 T3280K2783-K3282 HydrophobicContact CD-CD 4.26Å; K2783-K3282 HydrophobicContact CD-CG 3.81Å; K2783-K3282 HydrophobicContact CG-CD 3.78Å; K2783-K3282 HydrophobicContact CG-CG 3.93Å; E2786-K3282 IonicContact OE1-NZ 2.82Å; E2786-K3282 PolarHBondContact OE1-NZ 2.92Å; E2786-K3282 WeakPolarHBondContact OE2-CD 3.4Å; E2786-K3282 WeakPolarHBondContact OE2-CE 3.33Å; E2786-K3282 IonicContact OE2-NZ 3.38Å; E2786-K3282 PolarHBondContact OE2-NZ 3.46Å; H3074-K3282 WeakPolarHBondContact NE2-CE 3.41Å; H3074-K3282 PolarHBondContact NE2-NZ 3.18Å; E3078-K3282 WeakPolarHBondContact OE1-CE 3.1Å; E3078-K3282 IonicContact OE1-NZ 3.74Å; E3078-K3282 PolarHBondContact OE1-NZ 3.26Å; E3078-K3282 IonicContact OE2-NZ 3.03Å; E3078-K3282 PolarHBondContact OE2-NZ 2.81Å; T3280-K3282 PolarHBondContact O-N 3.06Å; T3280-K3282 VanDerWaalsContact O-N 3.12Å
3283G60.9Low63.7Low51.25 Ų51.2585.4 Ų85.453%0.52848%0.481SS..SBendtrans-115177-176.700000113.8I3285G3283-I3285 PolarHBondContact O-N 3.02Å
3284G58Low63.7Low45 Ų4585.5 Ų85.546%0.46448%0.478SS..  trans-67.1129.917600000111.6L3286 E3287G3284-L3286 PolarHBondContact O-N 3.19Å; G3284-E3287 PolarHBondContact O-N 3.09Å; G3284-E3287 VanDerWaalsContact O-N 3.16Å
3285I58.9Low63.7Low96.75 Ų96.7586.4 Ų86.450%0.49648%0.483SS..THydrogen-bonded Turntrans-53.3-21.8-176.2-65.2164.9000113.6L3055 G3283 E3287 L3291L3055-I3285 HydrophobicContact CD1-CG2 3.85Å; L3055-I3285 HydrophobicContact CD2-CG2 3.87Å; G3283-I3285 PolarHBondContact O-N 3.02Å; I3285-E3287 VanDerWaalsContact C-N 3.32Å; I3285-E3287 PolarHBondContact O-N 2.92Å; I3285-L3291 HydrophobicContact CG2-CD2 3.94Å
3286L55.7Low64Low136.75 Ų136.7585.7 Ų85.772%0.71648%0.479SS*.THydrogen-bonded Turntrans-82.5-14.3-177.4-69.3167000114.6A3052 G3284A3052-L3286 VanDerWaalsContact CA-CD2 3.46Å; A3052-L3286 HydrophobicContact CB-CD1 4.13Å; A3052-L3286 HydrophobicContact CB-CD2 3.5Å; A3052-L3286 HydrophobicContact CB-CG 4.47Å; G3284-L3286 PolarHBondContact O-N 3.19Å
3287E61.4Low64.2Low168.25 Ų168.2585 Ų8579%0.78648%0.478SS*.SBendtrans-97-13.5-171.8-64.7-177.8174.200113.8G3284 I3285 C3289G3284-E3287 PolarHBondContact O-N 3.09Å; G3284-E3287 VanDerWaalsContact O-N 3.16Å; I3285-E3287 VanDerWaalsContact C-N 3.32Å; I3285-E3287 PolarHBondContact O-N 2.92Å; E3287-C3289 PolarHBondContact O-N 3.24Å
3288D62.2Low64.4Low61 Ų6182.9 Ų82.933%0.32647%0.47SS..  trans-99.4105.3-174-159.5-19.2000111.8L3281 E3290 L3291 L3292L3281-D3288 HydrophobicContact CD2-CB 4.27Å; L3281-D3288 WeakPolarHBondContact CD2-OD2 3.3Å; D3288-E3290 VanDerWaalsContact C-N 3.26Å; D3288-E3290 PolarHBondContact O-N 3.02Å; D3288-E3290 WeakPolarHBondContact OD1-CA 3.3Å; D3288-E3290 WeakPolarHBondContact OD1-CB 3.34Å; D3288-E3290 PolarHBondContact OD1-N 3.42Å; D3288-L3291 HydrophobicContact CB-CB 3.94Å; D3288-L3291 HydrophobicContact CB-CD1 4.11Å; D3288-L3291 PolarHBondContact O-N 3.33Å; D3288-L3291 VanDerWaalsContact O-N 3.16Å; D3288-L3291 PolarHBondContact OD1-N 3.03Å; D3288-L3291 WeakPolarHBondContact OD2-CD1 3.2Å; D3288-L3292 PolarHBondContact O-N 3.11Å; D3288-L3292 VanDerWaalsContact O-N 3.08Å
3289C65.8Low64.9Low92.5 Ų92.585.9 Ų85.963%0.62548%0.481SS*.Hα-helixtrans-74.9-32.5-178.5-69.50000113E3287 L3291 L3292 E3293E3287-C3289 PolarHBondContact O-N 3.24Å; C3289-L3291 VanDerWaalsContact C-N 3.33Å; C3289-L3291 PolarHBondContact O-N 2.94Å; C3289-L3292 PolarHBondContact O-N 3.11Å; C3289-L3292 VanDerWaalsContact O-N 3.14Å; C3289-E3293 WeakPolarHBondContact O-CB 3.1Å; C3289-E3293 WeakPolarHBondContact O-CG 3.39Å; C3289-E3293 PolarHBondContact O-N 2.94Å
3290E65.3Low65.4Low144.5 Ų144.588.5 Ų88.568%0.67548%0.481SS*.Hα-helixtrans-66.9-38.1-179.3-67.3-171.6167.400111.2D3288 L3292 E3293 T3294D3288-E3290 VanDerWaalsContact C-N 3.26Å; D3288-E3290 PolarHBondContact O-N 3.02Å; D3288-E3290 WeakPolarHBondContact OD1-CA 3.3Å; D3288-E3290 WeakPolarHBondContact OD1-CB 3.34Å; D3288-E3290 PolarHBondContact OD1-N 3.42Å; E3290-L3292 VanDerWaalsContact C-N 3.34Å; E3290-L3292 PolarHBondContact O-N 3.14Å; E3290-L3292 VanDerWaalsContact O-N 3.12Å; E3290-E3293 CarbonylContact O-C 3.59Å; E3290-E3293 WeakPolarHBondContact O-CA 3.42Å; E3290-E3293 WeakPolarHBondContact O-CB 3.32Å; E3290-E3293 PolarHBondContact O-N 3.12Å; E3290-E3293 VanDerWaalsContact O-N 3.08Å; E3290-T3294 WeakPolarHBondContact O-CB 3.33Å; E3290-T3294 PolarHBondContact O-N 3.13Å; E3290-T3294 PolarHBondContact O-OG1 3.25Å
3291L65.7Low65.8Low20.25 Ų20.2584.8 Ų84.811%0.10646%0.459CS..Hα-helixtrans-63.1-36.5175.7-129.5142.7000112.7Q3277 L3278 L3281 I3285 D3288 C3289 E3293 T3294 L3295Q3277-L3291 HydrophobicContact CB-CD1 4.06Å; Q3277-L3291 HydrophobicContact CB-CD2 4.07Å; Q3277-L3291 HydrophobicContact CB-CG 4.35Å; L3278-L3291 HydrophobicContact CD2-CD1 3.98Å; L3278-L3291 HydrophobicContact CD2-CD2 4.29Å; L3278-L3291 HydrophobicContact CG-CD1 4.05Å; L3281-L3291 HydrophobicContact CD1-CD1 3.73Å; L3281-L3291 HydrophobicContact CD1-CD2 3.89Å; L3281-L3291 HydrophobicContact CD1-CG 4.33Å; L3281-L3291 HydrophobicContact CD2-CD1 3.79Å; L3281-L3291 HydrophobicContact CG-CD1 3.68Å; L3281-L3291 VanDerWaalsContact CG-CD1 3.47Å; I3285-L3291 HydrophobicContact CG2-CD2 3.94Å; D3288-L3291 HydrophobicContact CB-CB 3.94Å; D3288-L3291 HydrophobicContact CB-CD1 4.11Å; D3288-L3291 PolarHBondContact O-N 3.33Å; D3288-L3291 VanDerWaalsContact O-N 3.16Å; D3288-L3291 PolarHBondContact OD1-N 3.03Å; D3288-L3291 WeakPolarHBondContact OD2-CD1 3.2Å; C3289-L3291 VanDerWaalsContact C-N 3.33Å; C3289-L3291 PolarHBondContact O-N 2.94Å; L3291-E3293 VanDerWaalsContact C-N 3.32Å; L3291-E3293 PolarHBondContact O-N 2.88Å; L3291-T3294 VanDerWaalsContact CA-OG1 3.26Å; L3291-T3294 WeakPolarHBondContact CA-OG1 3.25Å; L3291-T3294 PolarHBondContact O-N 3.07Å; L3291-T3294 PolarHBondContact O-OG1 3.2Å; L3291-L3295 HydrophobicContact CD2-CD1 3.77Å; L3291-L3295 VanDerWaalsContact O-CB 3.29Å; L3291-L3295 WeakPolarHBondContact O-CB 3.45Å; L3291-L3295 PolarHBondContact O-N 3.02Å
3292L65.9Low66.6Low79 Ų7984.2 Ų84.241%0.41446%0.459SS..Hα-helixtrans-68.7-35.2176.1-84.6164.4000112.6L3055 D3288 C3289 E3290 N3296L3055-L3292 HydrophobicContact CD1-CD2 3.96Å; L3055-L3292 HydrophobicContact CD1-CG 4.46Å; D3288-L3292 PolarHBondContact O-N 3.11Å; D3288-L3292 VanDerWaalsContact O-N 3.08Å; C3289-L3292 PolarHBondContact O-N 3.11Å; C3289-L3292 VanDerWaalsContact O-N 3.14Å; E3290-L3292 VanDerWaalsContact C-N 3.34Å; E3290-L3292 PolarHBondContact O-N 3.14Å; E3290-L3292 VanDerWaalsContact O-N 3.12Å; L3292-N3296 VanDerWaalsContact O-CB 3.24Å; L3292-N3296 WeakPolarHBondContact O-CB 3.17Å; L3292-N3296 VanDerWaalsContact O-CG 3.28Å; L3292-N3296 PolarHBondContact O-N 3.34Å; L3292-N3296 VanDerWaalsContact O-N 3.08Å; L3292-N3296 PolarHBondContact O-ND2 3.03Å
3293E69.6Low67.6Low145.75 Ų145.7578.2 Ų78.268%0.68144%0.442SS*.Hα-helixtrans-71.1-45.1175.2-74.1-169.9170.300111.7C3289 E3290 L3291 L3295 N3296 A3297C3289-E3293 WeakPolarHBondContact O-CB 3.1Å; C3289-E3293 WeakPolarHBondContact O-CG 3.39Å; C3289-E3293 PolarHBondContact O-N 2.94Å; E3290-E3293 CarbonylContact O-C 3.59Å; E3290-E3293 WeakPolarHBondContact O-CA 3.42Å; E3290-E3293 WeakPolarHBondContact O-CB 3.32Å; E3290-E3293 PolarHBondContact O-N 3.12Å; E3290-E3293 VanDerWaalsContact O-N 3.08Å; L3291-E3293 VanDerWaalsContact C-N 3.32Å; L3291-E3293 PolarHBondContact O-N 2.88Å; E3293-L3295 VanDerWaalsContact C-N 3.34Å; E3293-L3295 PolarHBondContact O-N 3.27Å; E3293-N3296 CarbonylContact O-C 3.56Å; E3293-N3296 PolarHBondContact O-N 3.03Å; E3293-A3297 VanDerWaalsContact O-CB 3.25Å; E3293-A3297 WeakPolarHBondContact O-CB 3.37Å; E3293-A3297 PolarHBondContact O-N 3.05Å
3294T70.3Confident68.3Low42.75 Ų42.7581.9 Ų81.926%0.26244%0.444SS..Hα-helixtrans-63.5-40.9177.33.20000111.7A3273 I3274 Q3277 E3290 L3291 N3296 A3297 A3298A3273-T3294 HydrophobicContact CB-CG2 4.07Å; I3274-T3294 HydrophobicContact CG1-CG2 3.88Å; Q3277-T3294 PolarHBondContact NE2-OG1 3.17Å; Q3277-T3294 VanDerWaalsContact OE1-CB 3.31Å; Q3277-T3294 PolarHBondContact OE1-OG1 3.07Å; E3290-T3294 WeakPolarHBondContact O-CB 3.33Å; E3290-T3294 PolarHBondContact O-N 3.13Å; E3290-T3294 PolarHBondContact O-OG1 3.25Å; L3291-T3294 VanDerWaalsContact CA-OG1 3.26Å; L3291-T3294 WeakPolarHBondContact CA-OG1 3.25Å; L3291-T3294 PolarHBondContact O-N 3.07Å; L3291-T3294 PolarHBondContact O-OG1 3.2Å; T3294-N3296 VanDerWaalsContact C-N 3.31Å; T3294-N3296 PolarHBondContact O-N 3.01Å; T3294-A3297 CarbonylContact O-C 3.6Å; T3294-A3297 PolarHBondContact O-N 3.1Å; T3294-A3298 WeakPolarHBondContact O-CB 3.36Å; T3294-A3298 PolarHBondContact O-N 3.24Å
3295L69.2Low69.1Low48 Ų4880.5 Ų80.525%0.25143%0.426SS..Hα-helixtrans-67.6-37.1176.9-150.1135.1000111.8K3058 L3059 I3274 L3278 L3291 E3293 A3298 K3299K3058-L3295 HydrophobicContact CB-CD2 4.26Å; K3058-L3295 HydrophobicContact CD-CD2 4.34Å; L3059-L3295 HydrophobicContact CD2-CD1 4.15Å; L3059-L3295 HydrophobicContact CD2-CD2 4.32Å; I3274-L3295 HydrophobicContact CD1-CD1 4.32Å; I3274-L3295 HydrophobicContact CD1-CG 4.44Å; I3274-L3295 HydrophobicContact CG2-CD1 4.22Å; I3274-L3295 HydrophobicContact CG2-CG 4.27Å; L3278-L3295 HydrophobicContact CD2-CD1 4.17Å; L3278-L3295 HydrophobicContact CG-CD1 4.29Å; L3291-L3295 HydrophobicContact CD2-CD1 3.77Å; L3291-L3295 VanDerWaalsContact O-CB 3.29Å; L3291-L3295 WeakPolarHBondContact O-CB 3.45Å; L3291-L3295 PolarHBondContact O-N 3.02Å; E3293-L3295 VanDerWaalsContact C-N 3.34Å; E3293-L3295 PolarHBondContact O-N 3.27Å; L3295-A3298 PolarHBondContact O-N 3.37Å; L3295-K3299 VanDerWaalsContact O-CB 3.27Å; L3295-K3299 WeakPolarHBondContact O-CB 3.3Å; L3295-K3299 PolarHBondContact O-N 3.12Å; L3295-K3299 VanDerWaalsContact O-N 3.11Å
3296N73Confident69.9Low81.25 Ų81.2580.9 Ų80.943%0.43443%0.426SS..Hα-helixtrans-69.1-39.4172.4-81.8-43.4000111.9K3058 L3292 E3293 T3294 K3299 Q3300K3058-N3296 PolarHBondContact NZ-OD1 3.33Å; L3292-N3296 VanDerWaalsContact O-CB 3.24Å; L3292-N3296 WeakPolarHBondContact O-CB 3.17Å; L3292-N3296 VanDerWaalsContact O-CG 3.28Å; L3292-N3296 PolarHBondContact O-N 3.34Å; L3292-N3296 VanDerWaalsContact O-N 3.08Å; L3292-N3296 PolarHBondContact O-ND2 3.03Å; E3293-N3296 CarbonylContact O-C 3.56Å; E3293-N3296 PolarHBondContact O-N 3.03Å; T3294-N3296 VanDerWaalsContact C-N 3.31Å; T3294-N3296 PolarHBondContact O-N 3.01Å; N3296-K3299 PolarHBondContact O-N 3.37Å; N3296-Q3300 VanDerWaalsContact O-CB 3.26Å; N3296-Q3300 WeakPolarHBondContact O-CB 3.33Å; N3296-Q3300 VanDerWaalsContact O-CG 3.23Å; N3296-Q3300 WeakPolarHBondContact O-CG 3.39Å; N3296-Q3300 PolarHBondContact O-N 3.15Å
3297A72.7Confident71.1Confident52.5 Ų52.580.3 Ų80.343%0.43442%0.42SS..Hα-helixtrans-64.4-44.2175.800000111.4E3293 T3294 K3299 Q3300 S3301E3293-A3297 VanDerWaalsContact O-CB 3.25Å; E3293-A3297 WeakPolarHBondContact O-CB 3.37Å; E3293-A3297 PolarHBondContact O-N 3.05Å; T3294-A3297 CarbonylContact O-C 3.6Å; T3294-A3297 PolarHBondContact O-N 3.1Å; A3297-K3299 VanDerWaalsContact C-N 3.31Å; A3297-K3299 PolarHBondContact O-N 3.09Å; A3297-Q3300 PolarHBondContact O-N 3.26Å; A3297-Q3300 VanDerWaalsContact O-N 3.12Å; A3297-S3301 VanDerWaalsContact O-CB 3.28Å; A3297-S3301 WeakPolarHBondContact O-CB 3.25Å; A3297-S3301 PolarHBondContact O-N 3.18Å; A3297-S3301 PolarHBondContact O-OG 3.18Å; A3297-S3301 VanDerWaalsContact O-OG 3.13Å
3298A72.9Confident71.8Confident15 Ų1573.4 Ų73.412%0.12439%0.392CS..Hα-helixtrans-64.4-39.617600000112.1I3274 T3294 L3295 Q3300 S3301 S3302I3274-A3298 HydrophobicContact CD1-CB 3.72Å; I3274-A3298 VanDerWaalsContact CD1-CB 3.42Å; I3274-A3298 HydrophobicContact CG1-CB 3.72Å; T3294-A3298 WeakPolarHBondContact O-CB 3.36Å; T3294-A3298 PolarHBondContact O-N 3.24Å; L3295-A3298 PolarHBondContact O-N 3.37Å; A3298-Q3300 PolarHBondContact O-N 3.43Å; A3298-S3301 VanDerWaalsContact CA-OG 3.29Å; A3298-S3301 WeakPolarHBondContact CA-OG 3.37Å; A3298-S3301 PolarHBondContact O-N 3.37Å; A3298-S3301 PolarHBondContact O-OG 3.28Å; A3298-S3302 WeakPolarHBondContact O-CA 3.32Å; A3298-S3302 WeakPolarHBondContact O-CB 3.4Å; A3298-S3302 PolarHBondContact O-N 3.15Å
3299K73.9Confident72.3Confident127.75 Ų127.7573.5 Ų73.556%0.55539%0.392SS*.Hα-helixtrans-66.8-38.8173.6-128.8-179-179.61800112.3K3058 L3295 N3296 A3297 S3301 S3302 A3303K3058-K3299 PolarHBondContact O-NZ 3.45Å; K3058-K3299 VanDerWaalsContact O-NZ 3.1Å; L3295-K3299 VanDerWaalsContact O-CB 3.27Å; L3295-K3299 WeakPolarHBondContact O-CB 3.3Å; L3295-K3299 PolarHBondContact O-N 3.12Å; L3295-K3299 VanDerWaalsContact O-N 3.11Å; N3296-K3299 PolarHBondContact O-N 3.37Å; A3297-K3299 VanDerWaalsContact C-N 3.31Å; A3297-K3299 PolarHBondContact O-N 3.09Å; K3299-S3301 VanDerWaalsContact C-N 3.35Å; K3299-S3302 PolarHBondContact O-N 2.75Å; K3299-A3303 VanDerWaalsContact O-CB 3.25Å; K3299-A3303 WeakPolarHBondContact O-CB 3.28Å; K3299-A3303 PolarHBondContact O-N 2.95Å; K3299-A3303 VanDerWaalsContact O-N 3.13Å
3300Q74.7Confident72.9Confident123 Ų12375.6 Ų75.658%0.57539%0.39SS*.Hα-helixtrans-68.3-39174.8-75.4-177.319.200111.9N3296 A3297 A3298 K3304N3296-Q3300 VanDerWaalsContact O-CB 3.26Å; N3296-Q3300 WeakPolarHBondContact O-CB 3.33Å; N3296-Q3300 VanDerWaalsContact O-CG 3.23Å; N3296-Q3300 WeakPolarHBondContact O-CG 3.39Å; N3296-Q3300 PolarHBondContact O-N 3.15Å; A3297-Q3300 PolarHBondContact O-N 3.26Å; A3297-Q3300 VanDerWaalsContact O-N 3.12Å; A3298-Q3300 PolarHBondContact O-N 3.43Å; Q3300-K3304 VanDerWaalsContact O-CB 3.29Å; Q3300-K3304 WeakPolarHBondContact O-CB 3.28Å; Q3300-K3304 WeakPolarHBondContact O-CG 3.35Å; Q3300-K3304 PolarHBondContact O-N 3.15Å
3301S72.8Confident73.6Confident26.75 Ų26.7573.5 Ų73.519%0.18738%0.38CS..Hα-helixtrans-66.8-44.6174.658.30000110.9A3297 A3298 K3299 A3303 K3304 L3305A3297-S3301 VanDerWaalsContact O-CB 3.28Å; A3297-S3301 WeakPolarHBondContact O-CB 3.25Å; A3297-S3301 PolarHBondContact O-N 3.18Å; A3297-S3301 PolarHBondContact O-OG 3.18Å; A3297-S3301 VanDerWaalsContact O-OG 3.13Å; A3298-S3301 VanDerWaalsContact CA-OG 3.29Å; A3298-S3301 WeakPolarHBondContact CA-OG 3.37Å; A3298-S3301 PolarHBondContact O-N 3.37Å; A3298-S3301 PolarHBondContact O-OG 3.28Å; K3299-S3301 VanDerWaalsContact C-N 3.35Å; S3301-A3303 PolarHBondContact O-N 3.13Å; S3301-K3304 CarbonylContact O-C 3.5Å; S3301-K3304 PolarHBondContact O-N 3.05Å; S3301-K3304 VanDerWaalsContact O-N 3.12Å; S3301-L3305 VanDerWaalsContact O-CB 3.31Å; S3301-L3305 WeakPolarHBondContact O-CB 3.29Å; S3301-L3305 WeakPolarHBondContact O-CG 3.33Å; S3301-L3305 PolarHBondContact O-N 3.06Å
3302S73.1Confident74Confident34 Ų3473.3 Ų73.324%0.23838%0.381CS..Hα-helixtrans-59.6-45.7175.5-179.10000112.1A3298 K3299 K3304 L3305 E3306A3298-S3302 WeakPolarHBondContact O-CA 3.32Å; A3298-S3302 WeakPolarHBondContact O-CB 3.4Å; A3298-S3302 PolarHBondContact O-N 3.15Å; K3299-S3302 PolarHBondContact O-N 2.75Å; S3302-K3304 VanDerWaalsContact C-N 3.32Å; S3302-K3304 PolarHBondContact O-N 3.15Å; S3302-L3305 CarbonylContact O-C 3.6Å; S3302-L3305 WeakPolarHBondContact O-CB 3.18Å; S3302-L3305 PolarHBondContact O-N 2.99Å; S3302-L3305 VanDerWaalsContact O-N 3.17Å; S3302-E3306 WeakPolarHBondContact O-CB 3.24Å; S3302-E3306 PolarHBondContact O-N 3.16Å
3303A78.3Confident74.4Confident49.5 Ų49.575.5 Ų75.541%0.40939%0.387SS..Hα-helixtrans-64-38.4176.700000112.7K3299 S3301 L3305 E3306 M3307K3299-A3303 VanDerWaalsContact O-CB 3.25Å; K3299-A3303 WeakPolarHBondContact O-CB 3.28Å; K3299-A3303 PolarHBondContact O-N 2.95Å; K3299-A3303 VanDerWaalsContact O-N 3.13Å; S3301-A3303 PolarHBondContact O-N 3.13Å; A3303-L3305 VanDerWaalsContact C-N 3.31Å; A3303-E3306 PolarHBondContact O-N 3.41Å; A3303-M3307 WeakPolarHBondContact O-CB 3.36Å; A3303-M3307 VanDerWaalsContact O-CG 3.31Å; A3303-M3307 WeakPolarHBondContact O-CG 3.38Å; A3303-M3307 PolarHBondContact O-N 3.19Å; A3303-M3307 VanDerWaalsContact O-N 3.1Å
3304K75.8Confident74.9Confident130.5 Ų130.572 Ų7257%0.56738%0.376SS*.Hα-helixtrans-67.9-38.8173.4-74.4173.9-178.8176.70111.7M3263 Q3300 S3301 S3302 E3306 M3307 A3308M3263-K3304 HydrophobicContact CE-CB 3.43Å; M3263-K3304 VanDerWaalsContact CE-CB 3.43Å; M3263-K3304 HydrophobicContact CE-CD 3.94Å; M3263-K3304 HydrophobicContact CE-CG 4.35Å; Q3300-K3304 VanDerWaalsContact O-CB 3.29Å; Q3300-K3304 WeakPolarHBondContact O-CB 3.28Å; Q3300-K3304 WeakPolarHBondContact O-CG 3.35Å; Q3300-K3304 PolarHBondContact O-N 3.15Å; S3301-K3304 CarbonylContact O-C 3.5Å; S3301-K3304 PolarHBondContact O-N 3.05Å; S3301-K3304 VanDerWaalsContact O-N 3.12Å; S3302-K3304 VanDerWaalsContact C-N 3.32Å; S3302-K3304 PolarHBondContact O-N 3.15Å; K3304-E3306 VanDerWaalsContact C-N 3.34Å; K3304-E3306 PolarHBondContact O-N 3.05Å; K3304-M3307 HydrophobicContact CG-CE 4.18Å; K3304-M3307 CarbonylContact O-C 3.53Å; K3304-M3307 WeakPolarHBondContact O-CB 3.35Å; K3304-M3307 PolarHBondContact O-N 3.01Å; K3304-A3308 VanDerWaalsContact O-CB 3.23Å; K3304-A3308 WeakPolarHBondContact O-CB 3.32Å; K3304-A3308 PolarHBondContact O-N 3Å
3305L73.9Confident75.2Confident15.5 Ų15.571.6 Ų71.68%0.08137%0.372CS..Hα-helixtrans-65.3-41.6175.9-116161.3000110.7Y3260 M3263 K3264 R3266 L3267 T3270 S3301 S3302 A3303 M3307 A3308 M3309Y3260-L3305 HydrophobicContact CD2-CD2 4.11Å; Y3260-L3305 HydrophobicContact CE2-CD2 3.74Å; Y3260-L3305 HydrophobicContact CE2-CG 4.34Å; M3263-L3305 HydrophobicContact CB-CD1 4.24Å; M3263-L3305 HydrophobicContact CB-CG 4.15Å; M3263-L3305 HydrophobicContact CE-CB 4.31Å; M3263-L3305 HydrophobicContact CE-CD2 3.37Å; M3263-L3305 VanDerWaalsContact CE-CD2 3.46Å; M3263-L3305 HydrophobicContact CE-CG 4.41Å; M3263-L3305 WeakPolarHBondContact O-CD1 3.38Å; M3263-L3305 HydrophobicContact SD-CD2 3.43Å; M3263-L3305 VanDerWaalsContact SD-CD2 3.58Å; M3263-L3305 WeakPolarHBondContact SD-CD2 3.42Å; K3264-L3305 HydrophobicContact CB-CD1 4.15Å; K3264-L3305 HydrophobicContact CG-CD1 4.48Å; R3266-L3305 HydrophobicContact CB-CD1 4.32Å; R3266-L3305 HydrophobicContact CB-CD2 4.49Å; L3267-L3305 HydrophobicContact CB-CD1 4.06Å; L3267-L3305 HydrophobicContact CD1-CB 4.12Å; L3267-L3305 HydrophobicContact CD1-CD1 3.96Å; L3267-L3305 HydrophobicContact CG-CD1 4.37Å; T3270-L3305 HydrophobicContact CG2-CD1 4.38Å; S3301-L3305 VanDerWaalsContact O-CB 3.31Å; S3301-L3305 WeakPolarHBondContact O-CB 3.29Å; S3301-L3305 WeakPolarHBondContact O-CG 3.33Å; S3301-L3305 PolarHBondContact O-N 3.06Å; S3302-L3305 CarbonylContact O-C 3.6Å; S3302-L3305 WeakPolarHBondContact O-CB 3.18Å; S3302-L3305 PolarHBondContact O-N 2.99Å; S3302-L3305 VanDerWaalsContact O-N 3.17Å; A3303-L3305 VanDerWaalsContact C-N 3.31Å; L3305-M3307 VanDerWaalsContact C-N 3.33Å; L3305-M3307 PolarHBondContact O-N 3.16Å; L3305-A3308 CarbonylContact O-C 3.56Å; L3305-A3308 PolarHBondContact O-N 3.4Å; L3305-M3309 WeakPolarHBondContact O-CA 3.43Å; L3305-M3309 VanDerWaalsContact O-CB 3.29Å; L3305-M3309 WeakPolarHBondContact O-CB 3.35Å; L3305-M3309 WeakPolarHBondContact O-CG 3.41Å; L3305-M3309 PolarHBondContact O-N 3.11Å
3306E76.6Confident75.4Confident104.5 Ų104.575.4 Ų75.449%0.48838%0.383SS..Hα-helixtrans-61.1-41.3172.5-84.6-165.3-176.100112.5L3267 S3302 A3303 K3304 M3309 K3310L3267-E3306 HydrophobicContact CD1-CG 4.2Å; S3302-E3306 WeakPolarHBondContact O-CB 3.24Å; S3302-E3306 PolarHBondContact O-N 3.16Å; A3303-E3306 PolarHBondContact O-N 3.41Å; K3304-E3306 VanDerWaalsContact C-N 3.34Å; K3304-E3306 PolarHBondContact O-N 3.05Å; E3306-M3309 PolarHBondContact O-N 2.95Å; E3306-K3310 WeakPolarHBondContact O-CB 3.48Å; E3306-K3310 WeakPolarHBondContact O-CD 3.26Å; E3306-K3310 VanDerWaalsContact O-CG 3.27Å; E3306-K3310 WeakPolarHBondContact O-CG 3.4Å; E3306-K3310 PolarHBondContact O-N 2.99Å; E3306-K3310 IonicContact OE2-NZ 3.46Å; E3306-K3310 PolarHBondContact OE2-NZ 3.11Å
3307M79Confident75.5Confident123.25 Ų123.2574.5 Ų74.561%0.60738%0.383SS*.Hα-helixtrans-65.2-48.4175.6-75.2-17737.700111.4A3303 K3304 L3305 M3309 K3310 E3311A3303-M3307 WeakPolarHBondContact O-CB 3.36Å; A3303-M3307 VanDerWaalsContact O-CG 3.31Å; A3303-M3307 WeakPolarHBondContact O-CG 3.38Å; A3303-M3307 PolarHBondContact O-N 3.19Å; A3303-M3307 VanDerWaalsContact O-N 3.1Å; K3304-M3307 HydrophobicContact CG-CE 4.18Å; K3304-M3307 CarbonylContact O-C 3.53Å; K3304-M3307 WeakPolarHBondContact O-CB 3.35Å; K3304-M3307 PolarHBondContact O-N 3.01Å; L3305-M3307 VanDerWaalsContact C-N 3.33Å; L3305-M3307 PolarHBondContact O-N 3.16Å; M3307-M3309 VanDerWaalsContact C-N 3.3Å; M3307-M3309 PolarHBondContact O-N 3.12Å; M3307-K3310 WeakPolarHBondContact O-CB 3.49Å; M3307-K3310 PolarHBondContact O-N 3.06Å; M3307-K3310 VanDerWaalsContact O-N 3.15Å; M3307-E3311 WeakPolarHBondContact O-CB 3.26Å; M3307-E3311 WeakPolarHBondContact O-CG 3.41Å; M3307-E3311 PolarHBondContact O-N 2.94Å; M3307-E3311 VanDerWaalsContact O-N 3.11Å
3308A76.6Confident75.8Confident24 Ų2478.1 Ų78.120%0.19839%0.388CS..Hα-helixtrans-65.4-32.2177.300000112.1M3263 K3304 L3305 K3310 E3311 S3312M3263-A3308 HydrophobicContact CE-CB 3.35Å; K3304-A3308 VanDerWaalsContact O-CB 3.23Å; K3304-A3308 WeakPolarHBondContact O-CB 3.32Å; K3304-A3308 PolarHBondContact O-N 3Å; L3305-A3308 CarbonylContact O-C 3.56Å; L3305-A3308 PolarHBondContact O-N 3.4Å; A3308-K3310 PolarHBondContact O-N 3.39Å; A3308-E3311 PolarHBondContact O-N 3.04Å; A3308-S3312 WeakPolarHBondContact O-CA 3.39Å; A3308-S3312 VanDerWaalsContact O-CB 3.23Å; A3308-S3312 WeakPolarHBondContact O-CB 3.41Å; A3308-S3312 PolarHBondContact O-N 3.07Å
3309M73.1Confident75.8Confident63 Ų6377.6 Ų77.631%0.3138%0.384SS..Hα-helixtrans-66-41.8171.6-131-175.8-179.300111.4Y3260 M3263 K3264 L3267 L3305 E3306 M3307 E3311 S3312 F3313Y3260-M3309 HydrophobicContact CD2-CB 4.35Å; Y3260-M3309 HydrophobicContact CE2-CB 4.02Å; Y3260-M3309 HydrophobicContact CE2-CG 4.29Å; M3263-M3309 VanDerWaalsContact C-CE 3.5Å; M3263-M3309 HydrophobicContact CB-CE 4.31Å; M3263-M3309 HydrophobicContact CB-CG 4.44Å; M3263-M3309 VanDerWaalsContact O-CE 3.25Å; M3263-M3309 WeakPolarHBondContact O-CE 3.39Å; K3264-M3309 VanDerWaalsContact CA-CE 3.43Å; K3264-M3309 HydrophobicContact CB-CE 3.92Å; K3264-M3309 HydrophobicContact CG-CE 4.34Å; L3267-M3309 HydrophobicContact CB-CE 3.79Å; L3267-M3309 HydrophobicContact CD1-CE 4.02Å; L3267-M3309 HydrophobicContact CD1-SD 4.18Å; L3267-M3309 HydrophobicContact CD2-CE 4.34Å; L3267-M3309 HydrophobicContact CG-CE 4.37Å; L3305-M3309 WeakPolarHBondContact O-CA 3.43Å; L3305-M3309 VanDerWaalsContact O-CB 3.29Å; L3305-M3309 WeakPolarHBondContact O-CB 3.35Å; L3305-M3309 WeakPolarHBondContact O-CG 3.41Å; L3305-M3309 PolarHBondContact O-N 3.11Å; E3306-M3309 PolarHBondContact O-N 2.95Å; M3307-M3309 VanDerWaalsContact C-N 3.3Å; M3307-M3309 PolarHBondContact O-N 3.12Å; M3309-E3311 VanDerWaalsContact C-N 3.33Å; M3309-S3312 PolarHBondContact O-N 3.25Å; M3309-F3313 HydrophobicContact CE-CD2 4.46Å; M3309-F3313 HydrophobicContact CE-CE2 3.85Å; M3309-F3313 HydrophobicContact CG-CD2 4.08Å; M3309-F3313 HydrophobicContact CG-CE2 4.37Å; M3309-F3313 VanDerWaalsContact O-CB 3.27Å; M3309-F3313 WeakPolarHBondContact O-CB 3.28Å; M3309-F3313 WeakPolarHBondContact O-CD2 3.18Å; M3309-F3313 PolarHBondContact O-N 2.97Å
3310K79.1Confident75.8Confident137.5 Ų137.575.6 Ų75.660%0.59838%0.377SS*.Hα-helixtrans-64.4-43.5174.5-74.9169.8-174.7166.60111E3306 M3307 A3308 F3313 T3314E3306-K3310 WeakPolarHBondContact O-CB 3.48Å; E3306-K3310 WeakPolarHBondContact O-CD 3.26Å; E3306-K3310 VanDerWaalsContact O-CG 3.27Å; E3306-K3310 WeakPolarHBondContact O-CG 3.4Å; E3306-K3310 PolarHBondContact O-N 2.99Å; E3306-K3310 IonicContact OE2-NZ 3.46Å; E3306-K3310 PolarHBondContact OE2-NZ 3.11Å; M3307-K3310 WeakPolarHBondContact O-CB 3.49Å; M3307-K3310 PolarHBondContact O-N 3.06Å; M3307-K3310 VanDerWaalsContact O-N 3.15Å; A3308-K3310 PolarHBondContact O-N 3.39Å; K3310-F3313 PolarHBondContact O-N 3.19Å; K3310-T3314 WeakPolarHBondContact O-CG2 3.29Å; K3310-T3314 PolarHBondContact O-N 3.13Å; K3310-T3314 PolarHBondContact O-OG1 2.88Å
3311E79.7Confident75.9Confident100.25 Ų100.2572.4 Ų72.447%0.46837%0.371SS..Hα-helixtrans-62.3-49.3175.2-121.4176.8177.800111.2R3252 V3256 M3307 A3308 M3309 F3313 T3314 L3315R3252-E3311 IonicContact CZ-OE1 2.94Å; R3252-E3311 IonicContact NE-OE1 3.01Å; R3252-E3311 IonicContact NH2-OE1 3.16Å; R3252-E3311 PolarHBondContact NH2-OE1 3.4Å; R3252-E3311 IonicContact NH2-OE2 2.9Å; V3256-E3311 HydrophobicContact CG1-CB 4.38Å; V3256-E3311 HydrophobicContact CG1-CG 4.15Å; V3256-E3311 HydrophobicContact CG2-CG 4.42Å; M3307-E3311 WeakPolarHBondContact O-CB 3.26Å; M3307-E3311 WeakPolarHBondContact O-CG 3.41Å; M3307-E3311 PolarHBondContact O-N 2.94Å; M3307-E3311 VanDerWaalsContact O-N 3.11Å; A3308-E3311 PolarHBondContact O-N 3.04Å; M3309-E3311 VanDerWaalsContact C-N 3.33Å; E3311-F3313 VanDerWaalsContact C-N 3.32Å; E3311-F3313 PolarHBondContact O-N 3.28Å; E3311-T3314 WeakPolarHBondContact CA-OG1 3.34Å; E3311-T3314 CarbonylContact O-C 3.59Å; E3311-T3314 PolarHBondContact O-N 3.15Å; E3311-T3314 VanDerWaalsContact O-N 3.11Å; E3311-T3314 PolarHBondContact O-OG1 3.05Å; E3311-L3315 HydrophobicContact CG-CD1 4.15Å; E3311-L3315 VanDerWaalsContact O-CB 3.28Å; E3311-L3315 WeakPolarHBondContact O-CB 3.46Å; E3311-L3315 PolarHBondContact O-N 3.13Å
3312S73.9Confident76Confident15.5 Ų15.575 Ų7511%0.10838%0.381CS..Hα-helixtrans-57.8-41.2174.9179.30000111.9A3308 M3309 T3314 L3315 R3316A3308-S3312 WeakPolarHBondContact O-CA 3.39Å; A3308-S3312 VanDerWaalsContact O-CB 3.23Å; A3308-S3312 WeakPolarHBondContact O-CB 3.41Å; A3308-S3312 PolarHBondContact O-N 3.07Å; M3309-S3312 PolarHBondContact O-N 3.25Å; S3312-T3314 PolarHBondContact O-N 3.2Å; S3312-L3315 CarbonylContact O-C 3.5Å; S3312-L3315 WeakPolarHBondContact O-CB 3.3Å; S3312-L3315 PolarHBondContact O-N 3.43Å; S3312-L3315 VanDerWaalsContact O-N 3.12Å; S3312-R3316 VanDerWaalsContact O-CB 3.3Å; S3312-R3316 WeakPolarHBondContact O-CB 3.3Å; S3312-R3316 WeakPolarHBondContact O-CG 3.38Å; S3312-R3316 PolarHBondContact O-N 3.26Å
3313F74.3Confident76.1Confident124.5 Ų124.575 Ų7555%0.54638%0.375SS..Hα-helixtrans-62.9-42.5174.2-159.8-90.1000112M3309 K3310 E3311 L3315 R3316 S3317M3309-F3313 HydrophobicContact CE-CD2 4.46Å; M3309-F3313 HydrophobicContact CE-CE2 3.85Å; M3309-F3313 HydrophobicContact CG-CD2 4.08Å; M3309-F3313 HydrophobicContact CG-CE2 4.37Å; M3309-F3313 VanDerWaalsContact O-CB 3.27Å; M3309-F3313 WeakPolarHBondContact O-CB 3.28Å; M3309-F3313 WeakPolarHBondContact O-CD2 3.18Å; M3309-F3313 PolarHBondContact O-N 2.97Å; K3310-F3313 PolarHBondContact O-N 3.19Å; E3311-F3313 VanDerWaalsContact C-N 3.32Å; E3311-F3313 PolarHBondContact O-N 3.28Å; F3313-L3315 VanDerWaalsContact C-N 3.32Å; F3313-L3315 PolarHBondContact O-N 3.49Å; F3313-R3316 PolarHBondContact O-N 3.12Å; F3313-S3317 VanDerWaalsContact O-CB 3.27Å; F3313-S3317 WeakPolarHBondContact O-CB 3.32Å; F3313-S3317 PolarHBondContact O-N 3.17Å; F3313-S3317 PolarHBondContact O-OG 3.11Å; F3313-S3317 VanDerWaalsContact O-OG 3.07Å
3314T80.1Confident76Confident73.5 Ų73.576.1 Ų76.145%0.45138%0.377SS..Hα-helixtrans-66.9-37.1175.363.20000112.5K3310 E3311 S3312 S3317 K3318K3310-T3314 WeakPolarHBondContact O-CG2 3.29Å; K3310-T3314 PolarHBondContact O-N 3.13Å; K3310-T3314 PolarHBondContact O-OG1 2.88Å; E3311-T3314 WeakPolarHBondContact CA-OG1 3.34Å; E3311-T3314 CarbonylContact O-C 3.59Å; E3311-T3314 PolarHBondContact O-N 3.15Å; E3311-T3314 VanDerWaalsContact O-N 3.11Å; E3311-T3314 PolarHBondContact O-OG1 3.05Å; S3312-T3314 PolarHBondContact O-N 3.2Å; T3314-S3317 PolarHBondContact O-N 3.07Å; T3314-K3318 VanDerWaalsContact O-CG 3.3Å; T3314-K3318 WeakPolarHBondContact O-CG 3.25Å; T3314-K3318 PolarHBondContact O-N 3.22Å; T3314-K3318 VanDerWaalsContact O-N 3.15Å
3315L76.5Confident76.2Confident33.5 Ų33.572.1 Ų72.118%0.17537%0.368CS..Hα-helixtrans-68.6-45.3176.4-152.689.3000110.9L3249 R3252 R3253 V3256 E3311 S3312 F3313 S3317 K3318 V3319L3249-L3315 HydrophobicContact CD2-CD1 3.96Å; L3249-L3315 HydrophobicContact CD2-CG 4.42Å; R3252-L3315 HydrophobicContact CB-CD1 4.46Å; R3252-L3315 HydrophobicContact CB-CD2 4.46Å; R3252-L3315 HydrophobicContact CG-CD1 4.09Å; R3252-L3315 HydrophobicContact CG-CD2 4.27Å; R3253-L3315 HydrophobicContact CB-CD2 4.19Å; V3256-L3315 HydrophobicContact CB-CD1 3.81Å; V3256-L3315 HydrophobicContact CB-CD2 4.02Å; V3256-L3315 HydrophobicContact CG1-CD1 4Å; V3256-L3315 HydrophobicContact CG1-CD2 4.4Å; V3256-L3315 HydrophobicContact CG1-CG 4.36Å; V3256-L3315 HydrophobicContact CG2-CD1 3.57Å; V3256-L3315 HydrophobicContact CG2-CD2 3.72Å; V3256-L3315 HydrophobicContact CG2-CG 3.98Å; E3311-L3315 HydrophobicContact CG-CD1 4.15Å; E3311-L3315 VanDerWaalsContact O-CB 3.28Å; E3311-L3315 WeakPolarHBondContact O-CB 3.46Å; E3311-L3315 PolarHBondContact O-N 3.13Å; S3312-L3315 CarbonylContact O-C 3.5Å; S3312-L3315 WeakPolarHBondContact O-CB 3.3Å; S3312-L3315 PolarHBondContact O-N 3.43Å; S3312-L3315 VanDerWaalsContact O-N 3.12Å; F3313-L3315 VanDerWaalsContact C-N 3.32Å; F3313-L3315 PolarHBondContact O-N 3.49Å; L3315-S3317 VanDerWaalsContact C-N 3.3Å; L3315-S3317 PolarHBondContact O-N 3.04Å; L3315-K3318 WeakPolarHBondContact O-CB 3.43Å; L3315-K3318 PolarHBondContact O-N 3.14Å; L3315-K3318 VanDerWaalsContact O-N 3.14Å; L3315-V3319 WeakPolarHBondContact O-CB 3.37Å; L3315-V3319 VanDerWaalsContact O-CG2 3.25Å; L3315-V3319 WeakPolarHBondContact O-CG2 3.42Å; L3315-V3319 PolarHBondContact O-N 3.15Å
3316R72.8Confident76.6Confident128.5 Ų128.573 Ų7349%0.48537%0.371SS..Hα-helixtrans-58.2-42172.8-157.1176.5173.9179.30111.4V3256 S3312 F3313 K3318 V3319 E3320V3256-R3316 HydrophobicContact CG1-CB 3.94Å; S3312-R3316 VanDerWaalsContact O-CB 3.3Å; S3312-R3316 WeakPolarHBondContact O-CB 3.3Å; S3312-R3316 WeakPolarHBondContact O-CG 3.38Å; S3312-R3316 PolarHBondContact O-N 3.26Å; F3313-R3316 PolarHBondContact O-N 3.12Å; R3316-K3318 VanDerWaalsContact C-N 3.33Å; R3316-K3318 PolarHBondContact O-N 3.01Å; R3316-V3319 PolarHBondContact O-N 3.19Å; R3316-E3320 VanDerWaalsContact O-CB 3.29Å; R3316-E3320 WeakPolarHBondContact O-CB 3.43Å; R3316-E3320 PolarHBondContact O-N 3.19Å
3317S75.8Confident76.9Confident61.25 Ų61.2570.6 Ų70.643%0.42836%0.362SS..Hα-helixtrans-64.8-37.6175.9-61.50000112.4F3313 T3314 L3315 A3321F3313-S3317 VanDerWaalsContact O-CB 3.27Å; F3313-S3317 WeakPolarHBondContact O-CB 3.32Å; F3313-S3317 PolarHBondContact O-N 3.17Å; F3313-S3317 PolarHBondContact O-OG 3.11Å; F3313-S3317 VanDerWaalsContact O-OG 3.07Å; T3314-S3317 PolarHBondContact O-N 3.07Å; L3315-S3317 VanDerWaalsContact C-N 3.3Å; L3315-S3317 PolarHBondContact O-N 3.04Å; S3317-A3321 VanDerWaalsContact O-CB 3.27Å; S3317-A3321 WeakPolarHBondContact O-CB 3.45Å; S3317-A3321 PolarHBondContact O-N 3.28Å
3318K78.3Confident77.2Confident128 Ų12867.6 Ų67.656%0.55735%0.351SS*.Hα-helixtrans-67.8-46173.8-72.2171.4-177.9175.60111.9L3249 T3314 L3315 R3316 E3320 A3321 E3322L3249-K3318 HydrophobicContact CD1-CB 4.48Å; L3249-K3318 HydrophobicContact CD2-CB 4.5Å; T3314-K3318 VanDerWaalsContact O-CG 3.3Å; T3314-K3318 WeakPolarHBondContact O-CG 3.25Å; T3314-K3318 PolarHBondContact O-N 3.22Å; T3314-K3318 VanDerWaalsContact O-N 3.15Å; L3315-K3318 WeakPolarHBondContact O-CB 3.43Å; L3315-K3318 PolarHBondContact O-N 3.14Å; L3315-K3318 VanDerWaalsContact O-N 3.14Å; R3316-K3318 VanDerWaalsContact C-N 3.33Å; R3316-K3318 PolarHBondContact O-N 3.01Å; K3318-E3320 VanDerWaalsContact C-N 3.33Å; K3318-E3320 PolarHBondContact O-N 3.16Å; K3318-A3321 WeakPolarHBondContact O-CB 3.32Å; K3318-A3321 PolarHBondContact O-N 3.21Å; K3318-E3322 WeakPolarHBondContact O-CG 3.4Å; K3318-E3322 PolarHBondContact O-N 3.3Å; K3318-E3322 VanDerWaalsContact O-N 3.15Å
3319V74.1Confident77.7Confident6.25 Ų6.2566.5 Ų66.54%0.03834%0.342CS..Hα-helixtrans-61.9-42.4176.51720000110.6L3249 R3252 R3253 L3315 R3316 E3322 R3323L3249-V3319 HydrophobicContact CD2-CB 4.38Å; L3249-V3319 HydrophobicContact CD2-CG1 4.05Å; L3249-V3319 HydrophobicContact CD2-CG2 3.92Å; L3249-V3319 HydrophobicContact CG-CG2 4.29Å; R3252-V3319 HydrophobicContact CG-CG2 4.38Å; R3253-V3319 HydrophobicContact CB-CG1 3.74Å; R3253-V3319 HydrophobicContact CB-CG2 4.34Å; R3253-V3319 HydrophobicContact CG-CG1 4.25Å; R3253-V3319 HydrophobicContact CG-CG2 4.21Å; L3315-V3319 WeakPolarHBondContact O-CB 3.37Å; L3315-V3319 VanDerWaalsContact O-CG2 3.25Å; L3315-V3319 WeakPolarHBondContact O-CG2 3.42Å; L3315-V3319 PolarHBondContact O-N 3.15Å; R3316-V3319 PolarHBondContact O-N 3.19Å; V3319-E3322 PolarHBondContact O-N 2.75Å; V3319-R3323 HydrophobicContact CG1-CG 4.22Å; V3319-R3323 WeakPolarHBondContact O-CB 3.33Å; V3319-R3323 VanDerWaalsContact O-CG 3.25Å; V3319-R3323 WeakPolarHBondContact O-CG 3.33Å; V3319-R3323 PolarHBondContact O-N 2.96Å
3320E73.7Confident78.3Confident84.5 Ų84.563.5 Ų63.540%0.39533%0.327SS..Hα-helixtrans-68.2-35.7177-168.160.3-15100111.6R3253 R3316 K3318 E3322 R3323 T3324R3253-E3320 IonicContact NE-OE2 2.59Å; R3316-E3320 VanDerWaalsContact O-CB 3.29Å; R3316-E3320 WeakPolarHBondContact O-CB 3.43Å; R3316-E3320 PolarHBondContact O-N 3.19Å; K3318-E3320 VanDerWaalsContact C-N 3.33Å; K3318-E3320 PolarHBondContact O-N 3.16Å; E3320-E3322 PolarHBondContact O-N 3.46Å; E3320-R3323 CarbonylContact O-C 3.43Å; E3320-R3323 WeakPolarHBondContact O-CA 3.44Å; E3320-R3323 WeakPolarHBondContact O-CB 3.49Å; E3320-R3323 PolarHBondContact O-N 3.14Å; E3320-R3323 WeakPolarHBondContact OE1-CD 3.09Å; E3320-R3323 WeakPolarHBondContact OE1-CG 3.27Å; E3320-R3323 IonicContact OE1-CZ 3.06Å; E3320-R3323 IonicContact OE1-NE 2.64Å; E3320-R3323 IonicContact OE1-NH1 3.12Å; E3320-R3323 PolarHBondContact OE1-NH1 3.17Å; E3320-R3323 VanDerWaalsContact OE1-NH1 3.13Å; E3320-R3323 IonicContact OE2-NH1 3.17Å; E3320-R3323 PolarHBondContact OE2-NH1 3.09Å; E3320-R3323 VanDerWaalsContact OE2-NH1 3.12Å; E3320-T3324 HydrophobicContact CG-CG2 4.43Å; E3320-T3324 WeakPolarHBondContact O-CB 3.4Å; E3320-T3324 VanDerWaalsContact O-CG2 3.27Å; E3320-T3324 WeakPolarHBondContact O-CG2 3.27Å; E3320-T3324 PolarHBondContact O-N 3.2Å; E3320-T3324 PolarHBondContact O-OG1 3.16Å
3321A77Confident78.6Confident55.75 Ų55.7562.5 Ų62.546%0.46132%0.323SS..Hα-helixtrans-62.6-43.1172.700000112.1S3317 K3318 R3323 T3324 A3325S3317-A3321 VanDerWaalsContact O-CB 3.27Å; S3317-A3321 WeakPolarHBondContact O-CB 3.45Å; S3317-A3321 PolarHBondContact O-N 3.28Å; K3318-A3321 WeakPolarHBondContact O-CB 3.32Å; K3318-A3321 PolarHBondContact O-N 3.21Å; A3321-R3323 VanDerWaalsContact C-N 3.31Å; A3321-R3323 PolarHBondContact O-N 3.43Å; A3321-T3324 WeakPolarHBondContact CA-OG1 3.28Å; A3321-T3324 PolarHBondContact O-N 3.2Å; A3321-T3324 VanDerWaalsContact O-N 3.1Å; A3321-T3324 PolarHBondContact O-OG1 3.01Å; A3321-A3325 WeakPolarHBondContact O-CB 3.17Å; A3321-A3325 PolarHBondContact O-N 2.81Å; A3321-A3325 VanDerWaalsContact O-N 3.14Å
3322E74.9Confident79Confident82.25 Ų82.2558.3 Ų58.338%0.38430%0.304SS..Hα-helixtrans-65.2-40.4173.5-70-125.6176.900111.7L3249 K3318 V3319 E3320 T3324 A3325 F3326L3249-E3322 HydrophobicContact CD1-CB 3.79Å; L3249-E3322 HydrophobicContact CD1-CG 4.34Å; L3249-E3322 WeakPolarHBondContact CD1-OE2 3.46Å; L3249-E3322 HydrophobicContact CD2-CB 4.14Å; K3318-E3322 WeakPolarHBondContact O-CG 3.4Å; K3318-E3322 PolarHBondContact O-N 3.3Å; K3318-E3322 VanDerWaalsContact O-N 3.15Å; V3319-E3322 PolarHBondContact O-N 2.75Å; E3320-E3322 PolarHBondContact O-N 3.46Å; E3322-T3324 VanDerWaalsContact C-N 3.34Å; E3322-T3324 PolarHBondContact O-N 3.18Å; E3322-A3325 VanDerWaalsContact O-CB 3.28Å; E3322-A3325 WeakPolarHBondContact O-CB 3.34Å; E3322-A3325 PolarHBondContact O-N 2.99Å; E3322-F3326 WeakPolarHBondContact O-CD2 3.4Å; E3322-F3326 PolarHBondContact O-N 3.36Å; E3322-F3326 VanDerWaalsContact O-N 3.12Å; E3322-F3326 VanDerWaalsContact OE2-CE2 3.27Å; E3322-F3326 WeakPolarHBondContact OE2-CE2 3.37Å
3323R74.9Confident79.7Confident34 Ų3457.5 Ų57.513%0.12830%0.299CS..Hα-helixtrans-60.1-43.4173.6-136.2166.6142.8-168.92.2111.7S3235 L3238 S3239 I3242 L3249 V3319 E3320 A3321 A3325 F3326 L3327S3235-R3323 PolarHBondContact OG-NH2 3.4Å; L3238-R3323 HydrophobicContact CD1-CG 4.41Å; L3238-R3323 HydrophobicContact CD2-CB 3.86Å; L3238-R3323 HydrophobicContact CD2-CG 3.8Å; L3238-R3323 HydrophobicContact CG-CB 4.36Å; L3238-R3323 HydrophobicContact CG-CG 4.13Å; S3239-R3323 PolarHBondContact OG-NH2 3.26Å; S3239-R3323 VanDerWaalsContact OG-NH2 3.12Å; I3242-R3323 HydrophobicContact CD1-CB 4Å; I3242-R3323 HydrophobicContact CD1-CG 3.32Å; L3249-R3323 HydrophobicContact CD2-CB 4.34Å; V3319-R3323 HydrophobicContact CG1-CG 4.22Å; V3319-R3323 WeakPolarHBondContact O-CB 3.33Å; V3319-R3323 VanDerWaalsContact O-CG 3.25Å; V3319-R3323 WeakPolarHBondContact O-CG 3.33Å; V3319-R3323 PolarHBondContact O-N 2.96Å; E3320-R3323 CarbonylContact O-C 3.43Å; E3320-R3323 WeakPolarHBondContact O-CA 3.44Å; E3320-R3323 WeakPolarHBondContact O-CB 3.49Å; E3320-R3323 PolarHBondContact O-N 3.14Å; E3320-R3323 WeakPolarHBondContact OE1-CD 3.09Å; E3320-R3323 WeakPolarHBondContact OE1-CG 3.27Å; E3320-R3323 IonicContact OE1-CZ 3.06Å; E3320-R3323 IonicContact OE1-NE 2.64Å; E3320-R3323 IonicContact OE1-NH1 3.12Å; E3320-R3323 PolarHBondContact OE1-NH1 3.17Å; E3320-R3323 VanDerWaalsContact OE1-NH1 3.13Å; E3320-R3323 IonicContact OE2-NH1 3.17Å; E3320-R3323 PolarHBondContact OE2-NH1 3.09Å; E3320-R3323 VanDerWaalsContact OE2-NH1 3.12Å; A3321-R3323 VanDerWaalsContact C-N 3.31Å; A3321-R3323 PolarHBondContact O-N 3.43Å; R3323-A3325 VanDerWaalsContact C-N 3.31Å; R3323-A3325 PolarHBondContact O-N 2.95Å; R3323-A3325 VanDerWaalsContact O-N 3.14Å; R3323-F3326 PolarHBondContact O-N 3.06Å; R3323-L3327 VanDerWaalsContact O-CB 3.24Å; R3323-L3327 WeakPolarHBondContact O-CB 3.46Å; R3323-L3327 PolarHBondContact O-N 3.33Å
3324T75.6Confident80.4Confident73 Ų7351.9 Ų51.945%0.44828%0.275SS..Hα-helixtrans-65-26.4177.957.40000113E3320 A3321 E3322 F3326 L3327 P3328E3320-T3324 HydrophobicContact CG-CG2 4.43Å; E3320-T3324 WeakPolarHBondContact O-CB 3.4Å; E3320-T3324 VanDerWaalsContact O-CG2 3.27Å; E3320-T3324 WeakPolarHBondContact O-CG2 3.27Å; E3320-T3324 PolarHBondContact O-N 3.2Å; E3320-T3324 PolarHBondContact O-OG1 3.16Å; A3321-T3324 WeakPolarHBondContact CA-OG1 3.28Å; A3321-T3324 PolarHBondContact O-N 3.2Å; A3321-T3324 VanDerWaalsContact O-N 3.1Å; A3321-T3324 PolarHBondContact O-OG1 3.01Å; E3322-T3324 VanDerWaalsContact C-N 3.34Å; E3322-T3324 PolarHBondContact O-N 3.18Å; T3324-F3326 PolarHBondContact O-N 3.44Å; T3324-L3327 VanDerWaalsContact O-CB 3.24Å; T3324-L3327 WeakPolarHBondContact O-CB 3.42Å; T3324-L3327 PolarHBondContact O-N 3.41Å; T3324-L3327 VanDerWaalsContact O-N 3.13Å; T3324-P3328 WeakPolarHBondContact O-CD 3.3Å
3325A80.1Confident80.8Confident44.75 Ų44.7550.2 Ų50.237%0.3727%0.266SS..Hα-helixtrans-63.4-38173.900000112.6A3321 E3322 R3323 P3328 I3378A3321-A3325 WeakPolarHBondContact O-CB 3.17Å; A3321-A3325 PolarHBondContact O-N 2.81Å; A3321-A3325 VanDerWaalsContact O-N 3.14Å; E3322-A3325 VanDerWaalsContact O-CB 3.28Å; E3322-A3325 WeakPolarHBondContact O-CB 3.34Å; E3322-A3325 PolarHBondContact O-N 2.99Å; R3323-A3325 VanDerWaalsContact C-N 3.31Å; R3323-A3325 PolarHBondContact O-N 2.95Å; R3323-A3325 VanDerWaalsContact O-N 3.14Å; A3325-P3328 WeakPolarHBondContact O-CD 3.28Å; A3325-I3378 HydrophobicContact CB-CD1 4.45Å; A3325-I3378 WeakPolarHBondContact O-CD1 3.42Å
3326F82.5Confident81.5Confident34.75 Ų34.7548.6 Ų48.615%0.15226%0.258CS..Hα-helixtrans-89.7-10.4179.3-67.6-75.1000114.3L3238 T3241 I3242 M3245 E3322 R3323 T3324 P3328 L3329 A3330 L3381L3238-F3326 HydrophobicContact CD1-CB 3.67Å; T3241-F3326 HydrophobicContact CG2-CB 4.11Å; T3241-F3326 HydrophobicContact CG2-CD1 3.82Å; T3241-F3326 HydrophobicContact CG2-CD2 4.23Å; T3241-F3326 HydrophobicContact CG2-CE1 4.19Å; T3241-F3326 HydrophobicContact CG2-CG 3.98Å; I3242-F3326 HydrophobicContact CG1-CB 4.43Å; I3242-F3326 HydrophobicContact CG1-CD2 4.11Å; I3242-F3326 HydrophobicContact CG1-CG 4.42Å; M3245-F3326 HydrophobicContact CE-CZ 4.2Å; M3245-F3326 HydrophobicContact CG-CZ 4.44Å; E3322-F3326 WeakPolarHBondContact O-CD2 3.4Å; E3322-F3326 PolarHBondContact O-N 3.36Å; E3322-F3326 VanDerWaalsContact O-N 3.12Å; E3322-F3326 VanDerWaalsContact OE2-CE2 3.27Å; E3322-F3326 WeakPolarHBondContact OE2-CE2 3.37Å; R3323-F3326 PolarHBondContact O-N 3.06Å; T3324-F3326 PolarHBondContact O-N 3.44Å; F3326-P3328 VanDerWaalsContact C-CD 3.42Å; F3326-P3328 VanDerWaalsContact C-N 3.33Å; F3326-L3329 HydrophobicContact CD1-CD2 4.38Å; F3326-L3329 WeakPolarHBondContact O-CB 3.32Å; F3326-L3329 PolarHBondContact O-N 3Å; F3326-L3329 VanDerWaalsContact O-N 3.08Å; F3326-A3330 PolarHBondContact O-N 3.15Å; F3326-A3330 VanDerWaalsContact O-N 3.12Å; F3326-L3381 HydrophobicContact CE1-CD1 4.1Å
3327L82.6Confident82.3Confident54 Ų5444.4 Ų44.428%0.28324%0.242SC..Hα-helixtrans-53.5-40.3179.9-17866.1000113.9T3234 L3238 R3323 T3324 L3329 A3330 K3331T3234-L3327 HydrophobicContact CG2-CD1 3.86Å; L3238-L3327 HydrophobicContact CD2-CB 4.3Å; L3238-L3327 HydrophobicContact CD2-CD1 4.09Å; R3323-L3327 VanDerWaalsContact O-CB 3.24Å; R3323-L3327 WeakPolarHBondContact O-CB 3.46Å; R3323-L3327 PolarHBondContact O-N 3.33Å; T3324-L3327 VanDerWaalsContact O-CB 3.24Å; T3324-L3327 WeakPolarHBondContact O-CB 3.42Å; T3324-L3327 PolarHBondContact O-N 3.41Å; T3324-L3327 VanDerWaalsContact O-N 3.13Å; L3327-L3329 VanDerWaalsContact C-N 3.3Å; L3327-L3329 PolarHBondContact O-N 3.29Å; L3327-A3330 PolarHBondContact O-N 3.19Å; L3327-K3331 HydrophobicContact CD1-CG 4.31Å; L3327-K3331 HydrophobicContact CG-CD 4.43Å; L3327-K3331 HydrophobicContact CG-CG 4.41Å; L3327-K3331 WeakPolarHBondContact O-CB 3.41Å; L3327-K3331 WeakPolarHBondContact O-CG 3.4Å; L3327-K3331 PolarHBondContact O-N 3.02Å
3328P84.9Confident82.8Confident60.25 Ų60.2544.4 Ų44.439%0.39123%0.234SC..Hα-helixtrans-60.9-36.5176.4-23.935.1000113.3T3324 A3325 F3326 V3332 I3378T3324-P3328 WeakPolarHBondContact O-CD 3.3Å; A3325-P3328 WeakPolarHBondContact O-CD 3.28Å; F3326-P3328 VanDerWaalsContact C-CD 3.42Å; F3326-P3328 VanDerWaalsContact C-N 3.33Å; P3328-V3332 WeakPolarHBondContact O-CG2 3.4Å; P3328-V3332 PolarHBondContact O-N 3.05Å; P3328-V3332 VanDerWaalsContact O-N 3.15Å; P3328-I3378 HydrophobicContact CB-CG2 4.4Å
3329L87Confident83.3Confident1.25 Ų1.2538.8 Ų38.81%0.00721%0.211CC..Hα-helixtrans-70.4-43.3176.9-178.565.2000111T3241 F3326 L3327 K3331 V3332 A3333 I3365 L3381 R3382 F3385T3241-L3329 HydrophobicContact CG2-CD2 4.25Å; F3326-L3329 HydrophobicContact CD1-CD2 4.38Å; F3326-L3329 WeakPolarHBondContact O-CB 3.32Å; F3326-L3329 PolarHBondContact O-N 3Å; F3326-L3329 VanDerWaalsContact O-N 3.08Å; L3327-L3329 VanDerWaalsContact C-N 3.3Å; L3327-L3329 PolarHBondContact O-N 3.29Å; L3329-K3331 VanDerWaalsContact C-N 3.34Å; L3329-K3331 PolarHBondContact O-N 3.14Å; L3329-V3332 PolarHBondContact O-N 3.22Å; L3329-A3333 WeakPolarHBondContact O-CB 3.4Å; L3329-A3333 PolarHBondContact O-N 3.38Å; L3329-I3365 HydrophobicContact CD2-CD1 4.04Å; L3329-L3381 HydrophobicContact CD1-CB 4.35Å; L3329-L3381 HydrophobicContact CD2-CB 4.31Å; L3329-L3381 HydrophobicContact CD2-CD1 4.38Å; L3329-R3382 HydrophobicContact CD1-CG 3.9Å; L3329-F3385 HydrophobicContact CD1-CB 4.49Å
3330A86.7Confident84.1Confident0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-63.6-39.1177.700000112.3T3234 L3237 L3238 F3326 L3327 A3333 C3334T3234-A3330 HydrophobicContact CG2-CB 4.12Å; L3237-A3330 HydrophobicContact CB-CB 4.3Å; L3238-A3330 HydrophobicContact CB-CB 3.98Å; L3238-A3330 HydrophobicContact CD1-CB 4.34Å; F3326-A3330 PolarHBondContact O-N 3.15Å; F3326-A3330 VanDerWaalsContact O-N 3.12Å; L3327-A3330 PolarHBondContact O-N 3.19Å; A3330-A3333 PolarHBondContact O-N 3.26Å; A3330-C3334 VanDerWaalsContact O-CB 3.31Å; A3330-C3334 WeakPolarHBondContact O-CB 3.32Å; A3330-C3334 PolarHBondContact O-N 3.08Å
3331K85.2Confident84.6Confident116.25 Ų116.2536 Ų3651%0.50520%0.203SC..Hα-helixtrans-62-46.4173.9-77.3-174.5175.3-172.40112T3234 L3327 L3329 A3333 C3334 S3335T3234-K3331 HydrophobicContact CG2-CG 3.95Å; L3327-K3331 HydrophobicContact CD1-CG 4.31Å; L3327-K3331 HydrophobicContact CG-CD 4.43Å; L3327-K3331 HydrophobicContact CG-CG 4.41Å; L3327-K3331 WeakPolarHBondContact O-CB 3.41Å; L3327-K3331 WeakPolarHBondContact O-CG 3.4Å; L3327-K3331 PolarHBondContact O-N 3.02Å; L3329-K3331 VanDerWaalsContact C-N 3.34Å; L3329-K3331 PolarHBondContact O-N 3.14Å; K3331-A3333 VanDerWaalsContact C-N 3.3Å; K3331-A3333 PolarHBondContact O-N 3.36Å; K3331-C3334 WeakPolarHBondContact O-CA 3.49Å; K3331-C3334 VanDerWaalsContact O-CB 3.26Å; K3331-C3334 WeakPolarHBondContact O-CB 3.36Å; K3331-C3334 PolarHBondContact O-N 3.15Å; K3331-S3335 PolarHBondContact O-N 3.14Å; K3331-S3335 PolarHBondContact O-OG 3.23Å; K3331-S3335 VanDerWaalsContact O-OG 3.1Å
3332V87.7Confident85Confident12 Ų1237.5 Ų37.57%0.07320%0.2CC..Hα-helixtrans-61.4-43.1176.31700000111.1P3328 L3329 C3334 S3335 V3336 R3382 I3386 I3413P3328-V3332 WeakPolarHBondContact O-CG2 3.4Å; P3328-V3332 PolarHBondContact O-N 3.05Å; P3328-V3332 VanDerWaalsContact O-N 3.15Å; L3329-V3332 PolarHBondContact O-N 3.22Å; V3332-C3334 VanDerWaalsContact C-N 3.31Å; V3332-C3334 PolarHBondContact O-N 3.21Å; V3332-S3335 PolarHBondContact O-N 3.12Å; V3332-V3336 HydrophobicContact CG1-CG2 4.32Å; V3332-V3336 WeakPolarHBondContact O-CB 3.38Å; V3332-V3336 VanDerWaalsContact O-CG2 3.26Å; V3332-V3336 WeakPolarHBondContact O-CG2 3.38Å; V3332-V3336 PolarHBondContact O-N 3.02Å; V3332-R3382 HydrophobicContact CG1-CG 4.34Å; V3332-R3382 HydrophobicContact CG2-CG 4.47Å; V3332-I3386 HydrophobicContact CG1-CD1 4.45Å; V3332-I3386 HydrophobicContact CG1-CG1 4.42Å; V3332-I3413 HydrophobicContact CG1-CD1 4.1Å; V3332-I3413 HydrophobicContact CG1-CG1 4.16Å; V3332-I3413 HydrophobicContact CG1-CG2 3.85Å; V3332-I3413 HydrophobicContact CG2-CG2 4.23Å
3333A89.5Confident85.6Confident0 Ų033.8 Ų33.80%018%0.183CC..Hα-helixtrans-62.3-37.9175.700000112.5L3237 L3329 A3330 K3331 V3336 Y3337 F3357 Y3361 F3385L3237-A3333 HydrophobicContact CD1-CB 3.9Å; L3329-A3333 WeakPolarHBondContact O-CB 3.4Å; L3329-A3333 PolarHBondContact O-N 3.38Å; A3330-A3333 PolarHBondContact O-N 3.26Å; K3331-A3333 VanDerWaalsContact C-N 3.3Å; K3331-A3333 PolarHBondContact O-N 3.36Å; A3333-V3336 WeakPolarHBondContact O-CB 3.37Å; A3333-V3336 PolarHBondContact O-N 3.06Å; A3333-Y3337 PolarHBondContact O-N 3.18Å; A3333-F3357 HydrophobicContact CB-CE1 4.44Å; A3333-F3357 HydrophobicContact CB-CZ 4.22Å; A3333-F3357 WeakPolarHBondContact O-CE1 3.29Å; A3333-F3357 WeakPolarHBondContact O-CZ 3.29Å; A3333-Y3361 HydrophobicContact CB-CD2 3.93Å; A3333-Y3361 HydrophobicContact CB-CE2 3.52Å; A3333-F3385 HydrophobicContact CB-CD1 4.45Å; A3333-F3385 HydrophobicContact CB-CE1 3.85Å; A3333-F3385 HydrophobicContact CB-CZ 4.09Å
3334C88.4Confident86.1Confident5.25 Ų5.2535.7 Ų35.74%0.03519%0.193CC..Hα-helixtrans-61.6-50.4173.4-164.30000111.5E3230 T3234 L3237 A3330 K3331 V3332 V3336 Y3337 F3338E3230-C3334 HydrophobicContact CG-CB 4.48Å; E3230-C3334 PolarHBondContact O-SG 3.38Å; T3234-C3334 WeakPolarHBondContact OG1-CB 3.5Å; T3234-C3334 PolarHBondContact OG1-SG 3.22Å; T3234-C3334 VanDerWaalsContact OG1-SG 3.39Å; L3237-C3334 HydrophobicContact CD1-CB 4.14Å; A3330-C3334 VanDerWaalsContact O-CB 3.31Å; A3330-C3334 WeakPolarHBondContact O-CB 3.32Å; A3330-C3334 PolarHBondContact O-N 3.08Å; K3331-C3334 WeakPolarHBondContact O-CA 3.49Å; K3331-C3334 VanDerWaalsContact O-CB 3.26Å; K3331-C3334 WeakPolarHBondContact O-CB 3.36Å; K3331-C3334 PolarHBondContact O-N 3.15Å; V3332-C3334 VanDerWaalsContact C-N 3.31Å; V3332-C3334 PolarHBondContact O-N 3.21Å; C3334-V3336 VanDerWaalsContact C-N 3.3Å; C3334-V3336 PolarHBondContact O-N 3.1Å; C3334-Y3337 WeakPolarHBondContact O-CB 3.37Å; C3334-Y3337 PolarHBondContact O-N 3.16Å; C3334-Y3337 VanDerWaalsContact O-N 3.11Å; C3334-F3338 VanDerWaalsContact O-CD2 3.23Å; C3334-F3338 WeakPolarHBondContact O-CD2 3.36Å; C3334-F3338 PolarHBondContact O-N 3.08Å; C3334-F3338 VanDerWaalsContact O-N 3.13Å; C3334-F3338 VanDerWaalsContact SG-CE2 3.52Å
3335S88.2Confident86.5Confident38.25 Ų38.2537.8 Ų37.827%0.26720%0.202SC..Hα-helixtrans-59.8-39.9176.5-54.30000112.3K3331 V3332 Y3337 F3338 V3339K3331-S3335 PolarHBondContact O-N 3.14Å; K3331-S3335 PolarHBondContact O-OG 3.23Å; K3331-S3335 VanDerWaalsContact O-OG 3.1Å; V3332-S3335 PolarHBondContact O-N 3.12Å; S3335-Y3337 PolarHBondContact O-N 2.89Å; S3335-F3338 PolarHBondContact O-N 3.28Å; S3335-V3339 WeakPolarHBondContact O-CG2 3.31Å; S3335-V3339 PolarHBondContact O-N 3.06Å; S3335-V3339 VanDerWaalsContact O-N 3.08Å
3336V90.9Very high86.7Confident0.25 Ų0.2539 Ų390%0.00220%0.202CC..Hα-helixtrans-60.6-45.3174.9168.90000111.4V3332 A3333 C3334 F3338 V3339 I3340 F3357 F3385 V3389 L3409 I3413V3332-V3336 HydrophobicContact CG1-CG2 4.32Å; V3332-V3336 WeakPolarHBondContact O-CB 3.38Å; V3332-V3336 VanDerWaalsContact O-CG2 3.26Å; V3332-V3336 WeakPolarHBondContact O-CG2 3.38Å; V3332-V3336 PolarHBondContact O-N 3.02Å; A3333-V3336 WeakPolarHBondContact O-CB 3.37Å; A3333-V3336 PolarHBondContact O-N 3.06Å; C3334-V3336 VanDerWaalsContact C-N 3.3Å; C3334-V3336 PolarHBondContact O-N 3.1Å; V3336-F3338 VanDerWaalsContact C-N 3.32Å; V3336-F3338 PolarHBondContact O-N 3.07Å; V3336-V3339 PolarHBondContact O-N 3.28Å; V3336-I3340 HydrophobicContact CG1-CD1 3.65Å; V3336-I3340 HydrophobicContact CG1-CG1 4.34Å; V3336-I3340 VanDerWaalsContact O-CG1 3.3Å; V3336-I3340 WeakPolarHBondContact O-CG1 3.36Å; V3336-I3340 PolarHBondContact O-N 3.22Å; V3336-F3357 HydrophobicContact CB-CE2 4.34Å; V3336-F3357 HydrophobicContact CB-CZ 4.36Å; V3336-F3357 HydrophobicContact CG1-CE2 3.77Å; V3336-F3357 HydrophobicContact CG1-CZ 4.23Å; V3336-F3385 HydrophobicContact CB-CE1 4.25Å; V3336-F3385 HydrophobicContact CG1-CE1 4.28Å; V3336-F3385 HydrophobicContact CG1-CZ 4.33Å; V3336-F3385 HydrophobicContact CG2-CE1 4.07Å; V3336-V3389 HydrophobicContact CG1-CB 4.35Å; V3336-V3389 HydrophobicContact CG1-CG1 3.7Å; V3336-V3389 HydrophobicContact CG1-CG2 3.98Å; V3336-L3409 HydrophobicContact CB-CD1 4.21Å; V3336-L3409 HydrophobicContact CG1-CD1 4.03Å; V3336-L3409 HydrophobicContact CG2-CD1 3.87Å; V3336-I3413 HydrophobicContact CG2-CD1 3.42Å; V3336-I3413 HydrophobicContact CG2-CG1 4.05Å
3337Y90.9Very high86.8Confident40 Ų4037.8 Ų37.816%0.15720%0.197CC..Hα-helixtrans-58.1-45177.7170.5-103.7000111.7L3233 A3333 C3334 S3335 V3339 I3340 A3341 L3354 F3357L3233-Y3337 HydrophobicContact CD2-CD1 3.27Å; L3233-Y3337 HydrophobicContact CD2-CD2 4.32Å; L3233-Y3337 HydrophobicContact CD2-CE1 3.87Å; L3233-Y3337 HydrophobicContact CD2-CG 3.77Å; L3233-Y3337 VanDerWaalsContact CD2-CG 3.48Å; A3333-Y3337 PolarHBondContact O-N 3.18Å; C3334-Y3337 WeakPolarHBondContact O-CB 3.37Å; C3334-Y3337 PolarHBondContact O-N 3.16Å; C3334-Y3337 VanDerWaalsContact O-N 3.11Å; S3335-Y3337 PolarHBondContact O-N 2.89Å; Y3337-V3339 VanDerWaalsContact C-N 3.35Å; Y3337-V3339 PolarHBondContact O-N 3.09Å; Y3337-I3340 CarbonylContact O-C 3.58Å; Y3337-I3340 WeakPolarHBondContact O-CB 3.19Å; Y3337-I3340 PolarHBondContact O-N 3.08Å; Y3337-A3341 HydrophobicContact CE1-CB 4.47Å; Y3337-A3341 VanDerWaalsContact O-CB 3.29Å; Y3337-A3341 WeakPolarHBondContact O-CB 3.42Å; Y3337-A3341 PolarHBondContact O-N 3.28Å; Y3337-L3354 HydrophobicContact CD2-CD1 4.13Å; Y3337-L3354 HydrophobicContact CE1-CD1 4.32Å; Y3337-L3354 HydrophobicContact CE2-CB 4.16Å; Y3337-L3354 HydrophobicContact CE2-CD1 3.79Å; Y3337-L3354 HydrophobicContact CE2-CG 4.48Å; Y3337-L3354 HydrophobicContact CG-CD1 4.44Å; Y3337-F3357 HydrophobicContact CD2-CB 3.76Å; Y3337-F3357 AromaticContact CD2-CD1 3.93Å; Y3337-F3357 HydrophobicContact CD2-CD1 3.93Å; Y3337-F3357 HydrophobicContact CD2-CD2 4.34Å; Y3337-F3357 AromaticContact CD2-CG 3.73Å; Y3337-F3357 HydrophobicContact CD2-CG 3.73Å; Y3337-F3357 HydrophobicContact CE2-CB 4.3Å; Y3337-F3357 HydrophobicContact CG-CD1 4.21Å; Y3337-F3357 HydrophobicContact CG-CG 4.37Å
3338F86.7Confident86.7Confident60.75 Ų60.7540.2 Ų40.227%0.26621%0.207SC..Hα-helixtrans-64.9-39.1178.7-73.6-67.5000112.6V3229 E3230 L3233 C3334 S3335 V3336 I3340 A3341 E3342V3229-F3338 HydrophobicContact CB-CZ 4.38Å; V3229-F3338 HydrophobicContact CG1-CZ 4.1Å; E3230-F3338 HydrophobicContact CB-CE2 4.26Å; E3230-F3338 HydrophobicContact CB-CZ 4.03Å; E3230-F3338 HydrophobicContact CG-CD1 4.07Å; E3230-F3338 HydrophobicContact CG-CD2 4.24Å; E3230-F3338 HydrophobicContact CG-CE1 3.44Å; E3230-F3338 VanDerWaalsContact CG-CE1 3.44Å; E3230-F3338 HydrophobicContact CG-CE2 3.75Å; E3230-F3338 HydrophobicContact CG-CG 4.41Å; E3230-F3338 HydrophobicContact CG-CZ 3.74Å; L3233-F3338 HydrophobicContact CD2-CE2 4.43Å; C3334-F3338 VanDerWaalsContact O-CD2 3.23Å; C3334-F3338 WeakPolarHBondContact O-CD2 3.36Å; C3334-F3338 PolarHBondContact O-N 3.08Å; C3334-F3338 VanDerWaalsContact O-N 3.13Å; C3334-F3338 VanDerWaalsContact SG-CE2 3.52Å; S3335-F3338 PolarHBondContact O-N 3.28Å; V3336-F3338 VanDerWaalsContact C-N 3.32Å; V3336-F3338 PolarHBondContact O-N 3.07Å; F3338-I3340 VanDerWaalsContact C-N 3.34Å; F3338-I3340 PolarHBondContact O-N 3.28Å; F3338-A3341 PolarHBondContact O-N 3.13Å; F3338-E3342 WeakPolarHBondContact O-CB 3.26Å; F3338-E3342 VanDerWaalsContact O-CG 3.32Å; F3338-E3342 WeakPolarHBondContact O-CG 3.37Å; F3338-E3342 PolarHBondContact O-N 3.19Å
3339V88.9Confident86.7Confident10.75 Ų10.7538.6 Ų38.67%0.06520%0.196CC..Hα-helixtrans-60.5-44.2172.6173.20000111.5S3335 V3336 Y3337 E3342 L3343 F3405 R3408 L3409 A3412S3335-V3339 WeakPolarHBondContact O-CG2 3.31Å; S3335-V3339 PolarHBondContact O-N 3.06Å; S3335-V3339 VanDerWaalsContact O-N 3.08Å; V3336-V3339 PolarHBondContact O-N 3.28Å; Y3337-V3339 VanDerWaalsContact C-N 3.35Å; Y3337-V3339 PolarHBondContact O-N 3.09Å; V3339-E3342 PolarHBondContact O-N 2.93Å; V3339-L3343 WeakPolarHBondContact O-CG 3.29Å; V3339-L3343 PolarHBondContact O-N 3.3Å; V3339-F3405 HydrophobicContact CG1-CD2 4.4Å; V3339-F3405 HydrophobicContact CG1-CE2 4.44Å; V3339-R3408 HydrophobicContact CG1-CB 4.01Å; V3339-L3409 HydrophobicContact CB-CD1 4.34Å; V3339-L3409 HydrophobicContact CG1-CB 4.34Å; V3339-L3409 HydrophobicContact CG1-CD1 4.23Å; V3339-A3412 HydrophobicContact CG2-CB 3.4Å; V3339-A3412 VanDerWaalsContact CG2-CB 3.44Å
3340I89Confident86.7Confident1.5 Ų1.538.6 Ų38.61%0.00820%0.196CC..Hα-helixtrans-65.3-42.7177.9-66.3166.3000110.8V3336 Y3337 F3338 E3342 L3343 Y3352 F3357 V3389 V3393 F3405V3336-I3340 HydrophobicContact CG1-CD1 3.65Å; V3336-I3340 HydrophobicContact CG1-CG1 4.34Å; V3336-I3340 VanDerWaalsContact O-CG1 3.3Å; V3336-I3340 WeakPolarHBondContact O-CG1 3.36Å; V3336-I3340 PolarHBondContact O-N 3.22Å; Y3337-I3340 CarbonylContact O-C 3.58Å; Y3337-I3340 WeakPolarHBondContact O-CB 3.19Å; Y3337-I3340 PolarHBondContact O-N 3.08Å; F3338-I3340 VanDerWaalsContact C-N 3.34Å; F3338-I3340 PolarHBondContact O-N 3.28Å; I3340-E3342 VanDerWaalsContact C-N 3.28Å; I3340-E3342 PolarHBondContact O-N 3.22Å; I3340-L3343 VanDerWaalsContact O-CB 3.27Å; I3340-L3343 WeakPolarHBondContact O-CB 3.44Å; I3340-L3343 PolarHBondContact O-N 3.3Å; I3340-Y3352 HydrophobicContact CG2-CD1 4.26Å; I3340-Y3352 HydrophobicContact CG2-CD2 3.26Å; I3340-Y3352 HydrophobicContact CG2-CE2 3.87Å; I3340-Y3352 HydrophobicContact CG2-CG 3.49Å; I3340-Y3352 VanDerWaalsContact CG2-CG 3.49Å; I3340-F3357 HydrophobicContact CD1-CD2 3.89Å; I3340-F3357 HydrophobicContact CD1-CE2 3.95Å; I3340-V3389 HydrophobicContact CD1-CG1 3.82Å; I3340-V3389 HydrophobicContact CG1-CG1 4.39Å; I3340-V3393 HydrophobicContact CD1-CG2 3.95Å; I3340-V3393 HydrophobicContact CG1-CG2 4.31Å; I3340-V3393 HydrophobicContact CG2-CG2 4.47Å; I3340-F3405 HydrophobicContact CG1-CE2 4.39Å
3341A84.4Confident86.6Confident31.5 Ų31.540.3 Ų40.326%0.2621%0.205SC..Hα-helixtrans-63.5-35.9178.200000111.5Y3337 F3338 L3343 H3344Y3337-A3341 HydrophobicContact CE1-CB 4.47Å; Y3337-A3341 VanDerWaalsContact O-CB 3.29Å; Y3337-A3341 WeakPolarHBondContact O-CB 3.42Å; Y3337-A3341 PolarHBondContact O-N 3.28Å; F3338-A3341 PolarHBondContact O-N 3.13Å; A3341-L3343 VanDerWaalsContact C-N 3.31Å; A3341-L3343 PolarHBondContact O-N 3.23Å; A3341-H3344 PolarHBondContact O-CD2 3.21Å; A3341-H3344 PolarHBondContact O-CE1 3.27Å; A3341-H3344 PolarHBondContact O-N 3.13Å; A3341-H3344 PolarHBondContact O-ND1 2.81Å
3342E85.6Confident86.7Confident86.5 Ų86.535.7 Ų35.740%0.40419%0.185SC..Hα-helixtrans-72.6-15176.1-76.2-179.3-176.100114.4F3338 V3339 I3340 H3344 N3345 R3408F3338-E3342 WeakPolarHBondContact O-CB 3.26Å; F3338-E3342 VanDerWaalsContact O-CG 3.32Å; F3338-E3342 WeakPolarHBondContact O-CG 3.37Å; F3338-E3342 PolarHBondContact O-N 3.19Å; V3339-E3342 PolarHBondContact O-N 2.93Å; I3340-E3342 VanDerWaalsContact C-N 3.28Å; I3340-E3342 PolarHBondContact O-N 3.22Å; E3342-H3344 PolarHBondContact O-N 3.25Å; E3342-H3344 VanDerWaalsContact O-N 3.12Å; E3342-N3345 VanDerWaalsContact O-CB 3.29Å; E3342-N3345 WeakPolarHBondContact O-CB 3.35Å; E3342-N3345 PolarHBondContact O-N 3.35Å; E3342-N3345 PolarHBondContact O-ND2 3.08Å; E3342-R3408 IonicContact OE1-NH2 2.72Å; E3342-R3408 IonicContact OE2-CZ 2.96Å; E3342-R3408 IonicContact OE2-NE 3.69Å; E3342-R3408 IonicContact OE2-NH1 2.78Å; E3342-R3408 IonicContact OE2-NH2 3.4Å; E3342-R3408 PolarHBondContact OE2-NH2 2.96Å
3343L88.3Confident86.4Confident3.75 Ų3.7536.7 Ų36.72%0.0219%0.192CC..G310 helixtrans-59.7-26.5-179.1-73.4174.9000112.9V3339 I3340 A3341 N3345 L3346 C3347 Y3350 Y3352 V3393 V3397 F3405V3339-L3343 WeakPolarHBondContact O-CG 3.29Å; V3339-L3343 PolarHBondContact O-N 3.3Å; I3340-L3343 VanDerWaalsContact O-CB 3.27Å; I3340-L3343 WeakPolarHBondContact O-CB 3.44Å; I3340-L3343 PolarHBondContact O-N 3.3Å; A3341-L3343 VanDerWaalsContact C-N 3.31Å; A3341-L3343 PolarHBondContact O-N 3.23Å; L3343-N3345 PolarHBondContact O-N 3.38Å; L3343-L3346 HydrophobicContact CD2-CD1 3.92Å; L3343-L3346 WeakPolarHBondContact O-CB 3.41Å; L3343-L3346 PolarHBondContact O-N 3.04Å; L3343-C3347 PolarHBondContact O-N 3.44Å; L3343-Y3350 HydrophobicContact CB-CD2 4.09Å; L3343-Y3350 HydrophobicContact CB-CG 4.28Å; L3343-Y3350 WeakPolarHBondContact O-CD2 3.31Å; L3343-Y3352 HydrophobicContact CB-CE2 4.36Å; L3343-Y3352 HydrophobicContact CD1-CE2 3.97Å; L3343-V3393 HydrophobicContact CD1-CG1 3.98Å; L3343-V3397 HydrophobicContact CD1-CG2 4.24Å; L3343-F3405 HydrophobicContact CD1-CD2 3.79Å; L3343-F3405 HydrophobicContact CD1-CE2 4.02Å; L3343-F3405 HydrophobicContact CD1-CG 4.41Å; L3343-F3405 HydrophobicContact CD2-CB 4.14Å; L3343-F3405 HydrophobicContact CD2-CD2 3.93Å; L3343-F3405 HydrophobicContact CD2-CG 4.38Å; L3343-F3405 HydrophobicContact CG-CD2 4.31Å
3344H85.6Confident86Confident75.5 Ų75.538.8 Ų38.835%0.3520%0.203SC..G310 helixtrans-57.5-23.5175.590.4-8.1000113.1A3341 E3342 L3346 C3347 Y3350A3341-H3344 PolarHBondContact O-CD2 3.21Å; A3341-H3344 PolarHBondContact O-CE1 3.27Å; A3341-H3344 PolarHBondContact O-N 3.13Å; A3341-H3344 PolarHBondContact O-ND1 2.81Å; E3342-H3344 PolarHBondContact O-N 3.25Å; E3342-H3344 VanDerWaalsContact O-N 3.12Å; H3344-L3346 VanDerWaalsContact C-N 3.29Å; H3344-L3346 PolarHBondContact O-N 2.98Å; H3344-C3347 CarbonylContact C-O 3.51Å; H3344-C3347 VanDerWaalsContact CA-O 3.29Å; H3344-C3347 WeakPolarHBondContact CA-O 3.27Å; H3344-C3347 CarbonylContact O-C 3.55Å; H3344-C3347 VanDerWaalsContact O-C 3.25Å; H3344-C3347 PolarHBondContact O-N 2.84Å; H3344-Y3350 WeakPolarHBondContact CA-O 3.42Å; H3344-Y3350 WeakPolarHBondContact CB-O 3.37Å; H3344-Y3350 PolarHBondContact N-O 3.05Å
3345N83.3Confident85.6Confident117.25 Ų117.2544.4 Ų44.463%0.62723%0.229SC*.G310 helixtrans-71.2-20.1175.1-63.3-49.1000113.1E3342 L3343E3342-N3345 VanDerWaalsContact O-CB 3.29Å; E3342-N3345 WeakPolarHBondContact O-CB 3.35Å; E3342-N3345 PolarHBondContact O-N 3.35Å; E3342-N3345 PolarHBondContact O-ND2 3.08Å; L3343-N3345 PolarHBondContact O-N 3.38Å
3346L84.3Confident85.5Confident70.25 Ų70.2544.6 Ų44.637%0.36823%0.225SC..THydrogen-bonded Turntrans-87.7-41174.4-63.5175.2000111.4L3343 H3344 Y3350 I3404L3343-L3346 HydrophobicContact CD2-CD1 3.92Å; L3343-L3346 WeakPolarHBondContact O-CB 3.41Å; L3343-L3346 PolarHBondContact O-N 3.04Å; H3344-L3346 VanDerWaalsContact C-N 3.29Å; H3344-L3346 PolarHBondContact O-N 2.98Å; L3346-Y3350 HydrophobicContact CB-CD2 4.43Å; L3346-Y3350 HydrophobicContact CB-CE2 4.44Å; L3346-I3404 HydrophobicContact CD1-CB 4.49Å; L3346-I3404 HydrophobicContact CD1-CG2 3.82Å; L3346-I3404 HydrophobicContact CD2-CG2 4.43Å
3347C84Confident85.4Confident8.75 Ų8.7544.6 Ų44.66%0.05923%0.225CC..  trans-151.8130.7177.1-175.10000109.3L3343 H3344 V3349 Y3350 R3641L3343-C3347 PolarHBondContact O-N 3.44Å; H3344-C3347 CarbonylContact C-O 3.51Å; H3344-C3347 VanDerWaalsContact CA-O 3.29Å; H3344-C3347 WeakPolarHBondContact CA-O 3.27Å; H3344-C3347 CarbonylContact O-C 3.55Å; H3344-C3347 VanDerWaalsContact O-C 3.25Å; H3344-C3347 PolarHBondContact O-N 2.84Å; C3347-V3349 PolarHBondContact O-N 2.97Å; C3347-V3349 VanDerWaalsContact O-N 3.08Å; C3347-Y3350 HydrophobicContact CB-CD1 4.34Å; C3347-Y3350 HydrophobicContact CB-CD2 3.58Å; C3347-Y3350 HydrophobicContact CB-CE1 4.28Å; C3347-Y3350 HydrophobicContact CB-CE2 3.4Å; C3347-Y3350 VanDerWaalsContact CB-CE2 3.44Å; C3347-Y3350 HydrophobicContact CB-CG 4.15Å; C3347-Y3350 WeakPolarHBondContact O-CB 3.43Å; C3347-Y3350 PolarHBondContact O-N 3.12Å; C3347-R3641 VanDerWaalsContact SG-CZ 3.56Å; C3347-R3641 PolarHBondContact SG-NE 3.17Å; C3347-R3641 VanDerWaalsContact SG-NE 3.4Å; C3347-R3641 PolarHBondContact SG-NH1 3.4Å; C3347-R3641 VanDerWaalsContact SG-NH1 3.37Å
3348E80.9Confident85.2Confident103.75 Ų103.7544.5 Ų44.549%0.48523%0.226SC..THydrogen-bonded Turntrans-58.5-26.8-174.4-57.2126.9-174.100112.9Y3350 N3351 R3641 A3643 L3650E3348-Y3350 VanDerWaalsContact C-N 3.25Å; E3348-Y3350 PolarHBondContact O-N 3.22Å; E3348-N3351 PolarHBondContact O-ND2 3.19Å; E3348-R3641 IonicContact OE1-CZ 3.01Å; E3348-R3641 IonicContact OE1-NH2 3.17Å; E3348-R3641 PolarHBondContact OE1-NH2 3.18Å; E3348-R3641 IonicContact OE2-CZ 3.96Å; E3348-R3641 IonicContact OE2-NE 2.57Å; E3348-R3641 PolarHBondContact OE2-NE 2.75Å; E3348-R3641 IonicContact OE2-NH2 3.85Å; E3348-R3641 PolarHBondContact OE2-NH2 2.77Å; E3348-A3643 HydrophobicContact CG-CB 4.17Å; E3348-A3643 VanDerWaalsContact OE2-C 3.27Å; E3348-A3643 WeakPolarHBondContact OE2-CA 3.23Å; E3348-A3643 WeakPolarHBondContact OE2-CB 3.46Å; E3348-L3650 WeakPolarHBondContact O-CD1 3.28Å
3349V84.2Confident85.1Confident26.5 Ų26.546 Ų4616%0.16123%0.233CC..THydrogen-bonded Turntrans-62.1-27.7176.4178.50000112.7C3347 N3351 I3554 R3641 L3650 K3655C3347-V3349 PolarHBondContact O-N 2.97Å; C3347-V3349 VanDerWaalsContact O-N 3.08Å; V3349-N3351 VanDerWaalsContact C-N 3.3Å; V3349-N3351 PolarHBondContact O-N 3.18Å; V3349-I3554 HydrophobicContact CB-CD1 4.19Å; V3349-I3554 HydrophobicContact CG1-CD1 3.19Å; V3349-I3554 HydrophobicContact CG1-CG1 3.98Å; V3349-I3554 HydrophobicContact CG2-CD1 3.94Å; V3349-R3641 HydrophobicContact CG2-CG 4.27Å; V3349-L3650 HydrophobicContact CG1-CD2 4.22Å; V3349-K3655 HydrophobicContact CG1-CD 4.45Å; V3349-K3655 WeakPolarHBondContact O-CD 3.28Å; V3349-K3655 PolarHBondContact O-NZ 3.26Å; V3349-K3655 VanDerWaalsContact O-NZ 3.14Å
3350Y88.4Confident85.1Confident1.5 Ų1.546.2 Ų46.21%0.00623%0.233CC..  trans-80.847.2-174.4-56.6-26.2000113.6L3343 H3344 L3346 C3347 E3348 Y3352 S3396 V3397 F3398 E3401 I3657L3343-Y3350 HydrophobicContact CB-CD2 4.09Å; L3343-Y3350 HydrophobicContact CB-CG 4.28Å; L3343-Y3350 WeakPolarHBondContact O-CD2 3.31Å; H3344-Y3350 WeakPolarHBondContact CA-O 3.42Å; H3344-Y3350 WeakPolarHBondContact CB-O 3.37Å; H3344-Y3350 PolarHBondContact N-O 3.05Å; L3346-Y3350 HydrophobicContact CB-CD2 4.43Å; L3346-Y3350 HydrophobicContact CB-CE2 4.44Å; C3347-Y3350 HydrophobicContact CB-CD1 4.34Å; C3347-Y3350 HydrophobicContact CB-CD2 3.58Å; C3347-Y3350 HydrophobicContact CB-CE1 4.28Å; C3347-Y3350 HydrophobicContact CB-CE2 3.4Å; C3347-Y3350 VanDerWaalsContact CB-CE2 3.44Å; C3347-Y3350 HydrophobicContact CB-CG 4.15Å; C3347-Y3350 WeakPolarHBondContact O-CB 3.43Å; C3347-Y3350 PolarHBondContact O-N 3.12Å; E3348-Y3350 VanDerWaalsContact C-N 3.25Å; E3348-Y3350 PolarHBondContact O-N 3.22Å; Y3350-Y3352 VanDerWaalsContact O-CD2 3.28Å; Y3350-Y3352 WeakPolarHBondContact O-CD2 3.39Å; Y3350-Y3352 WeakPolarHBondContact O-CE2 3.43Å; Y3350-Y3352 PolarHBondContact O-N 2.88Å; Y3350-S3396 WeakPolarHBondContact CD1-O 3.22Å; Y3350-S3396 VanDerWaalsContact CE1-O 3.25Å; Y3350-S3396 WeakPolarHBondContact CE1-O 3.46Å; Y3350-V3397 HydrophobicContact CD1-CG2 4.37Å; Y3350-V3397 HydrophobicContact CE1-CB 4.35Å; Y3350-V3397 HydrophobicContact CE1-CG1 4.43Å; Y3350-V3397 HydrophobicContact CE1-CG2 4.2Å; Y3350-V3397 HydrophobicContact CE2-CG1 4.11Å; Y3350-V3397 HydrophobicContact CE2-CG2 4.45Å; Y3350-F3398 HydrophobicContact CE1-CD2 4.42Å; Y3350-F3398 WeakPolarHBondContact OH-CD2 3.42Å; Y3350-F3398 PolarHBondContact OH-N 3.2Å; Y3350-E3401 WeakPolarHBondContact CE2-OE2 3.28Å; Y3350-E3401 VanDerWaalsContact CZ-OE2 3.25Å; Y3350-E3401 PolarHBondContact OH-OE2 3.24Å; Y3350-I3657 HydrophobicContact CE1-CD1 3.99Å
3351N84.6Confident85.1Confident35.5 Ų35.546.1 Ų46.119%0.1923%0.233CC..  trans-94101.7177.7-97.2-65.3000111.4E3348 V3349 C3647 L3650 R3651 K3655E3348-N3351 PolarHBondContact O-ND2 3.19Å; V3349-N3351 VanDerWaalsContact C-N 3.3Å; V3349-N3351 PolarHBondContact O-N 3.18Å; N3351-C3647 PolarHBondContact ND2-SG 2.96Å; N3351-L3650 HydrophobicContact CB-CB 3.88Å; N3351-L3650 HydrophobicContact CB-CD1 4.41Å; N3351-L3650 CarbonylContact O-C 3.55Å; N3351-R3651 HydrophobicContact CB-CG 4.14Å; N3351-R3651 WeakPolarHBondContact O-CA 3.21Å; N3351-R3651 WeakPolarHBondContact O-CG 3.27Å; N3351-R3651 PolarHBondContact OD1-NE 3.01Å; N3351-R3651 PolarHBondContact OD1-NH2 3.18Å; N3351-K3655 VanDerWaalsContact O-CE 3.27Å; N3351-K3655 WeakPolarHBondContact O-CE 3.38Å; N3351-K3655 PolarHBondContact O-NZ 3.13Å; N3351-K3655 VanDerWaalsContact O-NZ 3.09Å
3352Y85.9Confident85.2Confident20 Ų2046.4 Ų46.48%0.07823%0.233CC..  trans-102138.7179.9-56.4-87.6000111.3I3340 L3343 Y3350 F3356 V3393 S3396I3340-Y3352 HydrophobicContact CG2-CD1 4.26Å; I3340-Y3352 HydrophobicContact CG2-CD2 3.26Å; I3340-Y3352 HydrophobicContact CG2-CE2 3.87Å; I3340-Y3352 HydrophobicContact CG2-CG 3.49Å; I3340-Y3352 VanDerWaalsContact CG2-CG 3.49Å; L3343-Y3352 HydrophobicContact CB-CE2 4.36Å; L3343-Y3352 HydrophobicContact CD1-CE2 3.97Å; Y3350-Y3352 VanDerWaalsContact O-CD2 3.28Å; Y3350-Y3352 WeakPolarHBondContact O-CD2 3.39Å; Y3350-Y3352 WeakPolarHBondContact O-CE2 3.43Å; Y3350-Y3352 PolarHBondContact O-N 2.88Å; Y3352-F3356 AromaticContact CD1-CD1 3.87Å; Y3352-F3356 HydrophobicContact CD1-CD1 3.92Å; Y3352-F3356 AromaticContact CD1-CE1 3.72Å; Y3352-F3356 HydrophobicContact CD1-CE1 3.72Å; Y3352-F3356 HydrophobicContact CD1-CZ 4.26Å; Y3352-F3356 HydrophobicContact CE1-CE1 4.33Å; Y3352-F3356 HydrophobicContact CE1-CZ 4.47Å; Y3352-F3356 HydrophobicContact CG-CD1 4.36Å; Y3352-F3356 HydrophobicContact CG-CE1 4.39Å; Y3352-V3393 HydrophobicContact CE1-CG1 4.39Å; Y3352-V3393 HydrophobicContact CE2-CG1 4.31Å; Y3352-S3396 WeakPolarHBondContact CE1-OG 3.36Å; Y3352-S3396 PolarHBondContact OH-O 2.87Å; Y3352-S3396 PolarHBondContact OH-OG 2.87Å
3353S82.8Confident85.2Confident32.25 Ų32.2544.6 Ų44.623%0.22623%0.23CC..  trans-81.4153.3174.364.20000111.5Q3355 F3356 F3357 R3651S3353-Q3355 PolarHBondContact O-N 3.24Å; S3353-F3356 WeakPolarHBondContact O-CB 3.45Å; S3353-F3356 PolarHBondContact O-N 3.02Å; S3353-F3356 VanDerWaalsContact OG-CB 3.24Å; S3353-F3356 WeakPolarHBondContact OG-CB 3.4Å; S3353-F3356 PolarHBondContact OG-N 2.95Å; S3353-F3357 PolarHBondContact O-N 3.25Å; S3353-F3357 VanDerWaalsContact O-N 3.16Å; S3353-R3651 VanDerWaalsContact CB-O 3.27Å; S3353-R3651 WeakPolarHBondContact CB-O 3.44Å; S3353-R3651 PolarHBondContact OG-O 3.3Å; S3353-R3651 VanDerWaalsContact OG-O 3.13Å
3354L81.2Confident85.2Confident45.5 Ų45.544.6 Ų44.624%0.23823%0.23CC..Hα-helixtrans-59.2-36169.117859.8000110.9P3163 L3233 Y3337 F3356 F3357 M3358P3163-L3354 HydrophobicContact CG-CD2 4.42Å; L3233-L3354 HydrophobicContact CD1-CD1 3.64Å; L3233-L3354 HydrophobicContact CD1-CD2 4.38Å; L3233-L3354 HydrophobicContact CD1-CG 4.49Å; L3233-L3354 HydrophobicContact CD2-CD1 4.33Å; L3233-L3354 HydrophobicContact CG-CD1 4.39Å; Y3337-L3354 HydrophobicContact CD2-CD1 4.13Å; Y3337-L3354 HydrophobicContact CE1-CD1 4.32Å; Y3337-L3354 HydrophobicContact CE2-CB 4.16Å; Y3337-L3354 HydrophobicContact CE2-CD1 3.79Å; Y3337-L3354 HydrophobicContact CE2-CG 4.48Å; Y3337-L3354 HydrophobicContact CG-CD1 4.44Å; L3354-F3356 VanDerWaalsContact C-N 3.34Å; L3354-F3356 PolarHBondContact O-N 3.19Å; L3354-F3357 PolarHBondContact O-N 3.01Å; L3354-F3357 VanDerWaalsContact O-N 3.12Å; L3354-M3358 HydrophobicContact CD1-CG 4Å; L3354-M3358 HydrophobicContact CD1-SD 4.43Å; L3354-M3358 HydrophobicContact CG-CG 4.08Å; L3354-M3358 WeakPolarHBondContact O-CB 3.27Å; L3354-M3358 VanDerWaalsContact O-CG 3.23Å; L3354-M3358 WeakPolarHBondContact O-CG 3.29Å; L3354-M3358 PolarHBondContact O-N 3.05Å
3355Q80.5Confident85.2Confident122.25 Ų122.2541.1 Ų41.157%0.57121%0.214SC*.Hα-helixtrans-63.1-41.2177.8-149-179.64.900112.6Y2504 S3353 F3357 M3358 K3359Y2504-Q3355 PolarHBondContact OH-NE2 3.44Å; S3353-Q3355 PolarHBondContact O-N 3.24Å; Q3355-F3357 VanDerWaalsContact C-N 3.33Å; Q3355-F3357 PolarHBondContact O-N 2.91Å; Q3355-M3358 PolarHBondContact O-N 3.1Å; Q3355-K3359 WeakPolarHBondContact O-CB 3.28Å; Q3355-K3359 VanDerWaalsContact O-CG 3.31Å; Q3355-K3359 WeakPolarHBondContact O-CG 3.37Å; Q3355-K3359 PolarHBondContact O-N 3.28Å
3356F85.4Confident85.2Confident42 Ų4237.8 Ų37.818%0.18420%0.2CC..Hα-helixtrans-56.8-48.4171.8165.8-96.4000111Y3352 S3353 L3354 M3358 K3359 L3360 T3392 V3393 L3654Y3352-F3356 AromaticContact CD1-CD1 3.87Å; Y3352-F3356 HydrophobicContact CD1-CD1 3.92Å; Y3352-F3356 AromaticContact CD1-CE1 3.72Å; Y3352-F3356 HydrophobicContact CD1-CE1 3.72Å; Y3352-F3356 HydrophobicContact CD1-CZ 4.26Å; Y3352-F3356 HydrophobicContact CE1-CE1 4.33Å; Y3352-F3356 HydrophobicContact CE1-CZ 4.47Å; Y3352-F3356 HydrophobicContact CG-CD1 4.36Å; Y3352-F3356 HydrophobicContact CG-CE1 4.39Å; S3353-F3356 WeakPolarHBondContact O-CB 3.45Å; S3353-F3356 PolarHBondContact O-N 3.02Å; S3353-F3356 VanDerWaalsContact OG-CB 3.24Å; S3353-F3356 WeakPolarHBondContact OG-CB 3.4Å; S3353-F3356 PolarHBondContact OG-N 2.95Å; L3354-F3356 VanDerWaalsContact C-N 3.34Å; L3354-F3356 PolarHBondContact O-N 3.19Å; F3356-M3358 PolarHBondContact O-N 2.9Å; F3356-K3359 WeakPolarHBondContact O-CB 3.37Å; F3356-K3359 PolarHBondContact O-N 3.15Å; F3356-L3360 HydrophobicContact CE1-CD1 4.25Å; F3356-L3360 HydrophobicContact CZ-CD1 4.05Å; F3356-L3360 WeakPolarHBondContact O-CB 3.37Å; F3356-L3360 PolarHBondContact O-N 3.16Å; F3356-T3392 HydrophobicContact CE2-CG2 4.42Å; F3356-T3392 HydrophobicContact CZ-CG2 4.2Å; F3356-V3393 HydrophobicContact CE1-CG2 4.38Å; F3356-L3654 HydrophobicContact CE2-CD1 4.46Å
3357F89.2Confident85.1Confident1.75 Ų1.7540.3 Ų40.31%0.00821%0.207CC..Hα-helixtrans-64-41179-173.8-100.7000112.6L3237 A3333 V3336 Y3337 I3340 S3353 L3354 Q3355 L3360 Y3361 F3385L3237-F3357 HydrophobicContact CD1-CE1 4.17Å; L3237-F3357 HydrophobicContact CD2-CD1 4.41Å; L3237-F3357 HydrophobicContact CD2-CE1 3.99Å; A3333-F3357 HydrophobicContact CB-CE1 4.44Å; A3333-F3357 HydrophobicContact CB-CZ 4.22Å; A3333-F3357 WeakPolarHBondContact O-CE1 3.29Å; A3333-F3357 WeakPolarHBondContact O-CZ 3.29Å; V3336-F3357 HydrophobicContact CB-CE2 4.34Å; V3336-F3357 HydrophobicContact CB-CZ 4.36Å; V3336-F3357 HydrophobicContact CG1-CE2 3.77Å; V3336-F3357 HydrophobicContact CG1-CZ 4.23Å; Y3337-F3357 HydrophobicContact CD2-CB 3.76Å; Y3337-F3357 AromaticContact CD2-CD1 3.93Å; Y3337-F3357 HydrophobicContact CD2-CD1 3.93Å; Y3337-F3357 HydrophobicContact CD2-CD2 4.34Å; Y3337-F3357 AromaticContact CD2-CG 3.73Å; Y3337-F3357 HydrophobicContact CD2-CG 3.73Å; Y3337-F3357 HydrophobicContact CE2-CB 4.3Å; Y3337-F3357 HydrophobicContact CG-CD1 4.21Å; Y3337-F3357 HydrophobicContact CG-CG 4.37Å; I3340-F3357 HydrophobicContact CD1-CD2 3.89Å; I3340-F3357 HydrophobicContact CD1-CE2 3.95Å; S3353-F3357 PolarHBondContact O-N 3.25Å; S3353-F3357 VanDerWaalsContact O-N 3.16Å; L3354-F3357 PolarHBondContact O-N 3.01Å; L3354-F3357 VanDerWaalsContact O-N 3.12Å; Q3355-F3357 VanDerWaalsContact C-N 3.33Å; Q3355-F3357 PolarHBondContact O-N 2.91Å; F3357-L3360 WeakPolarHBondContact O-CB 3.49Å; F3357-L3360 PolarHBondContact O-N 3.08Å; F3357-Y3361 WeakPolarHBondContact O-CB 3.35Å; F3357-Y3361 PolarHBondContact O-N 3.03Å; F3357-F3385 AromaticContact CE2-CZ 3.98Å; F3357-F3385 HydrophobicContact CE2-CZ 4.02Å; F3357-F3385 HydrophobicContact CZ-CE1 4.33Å; F3357-F3385 AromaticContact CZ-CZ 3.79Å; F3357-F3385 HydrophobicContact CZ-CZ 3.79Å
3358M86Confident84.9Confident36.25 Ų36.2541.4 Ų41.418%0.17921%0.212CC..Hα-helixtrans-65.6-39.2177.1-67.8-66.4-105.900112L3233 Q3236 L3237 L3240 L3354 Q3355 F3356 Y3361 S3362L3233-M3358 HydrophobicContact CD1-CE 4.38Å; L3233-M3358 HydrophobicContact CD1-SD 4.18Å; Q3236-M3358 HydrophobicContact CB-CE 4.14Å; L3237-M3358 HydrophobicContact CD2-SD 3.56Å; L3237-M3358 VanDerWaalsContact CD2-SD 3.52Å; L3237-M3358 HydrophobicContact CG-SD 4.31Å; L3240-M3358 HydrophobicContact CD1-CB 4.39Å; L3240-M3358 HydrophobicContact CD1-CE 3.42Å; L3240-M3358 HydrophobicContact CD1-SD 3.71Å; L3240-M3358 VanDerWaalsContact CD1-SD 3.57Å; L3240-M3358 WeakPolarHBondContact CD1-SD 3.3Å; L3240-M3358 HydrophobicContact CG-CE 4.11Å; L3354-M3358 HydrophobicContact CD1-CG 4Å; L3354-M3358 HydrophobicContact CD1-SD 4.43Å; L3354-M3358 HydrophobicContact CG-CG 4.08Å; L3354-M3358 WeakPolarHBondContact O-CB 3.27Å; L3354-M3358 VanDerWaalsContact O-CG 3.23Å; L3354-M3358 WeakPolarHBondContact O-CG 3.29Å; L3354-M3358 PolarHBondContact O-N 3.05Å; Q3355-M3358 PolarHBondContact O-N 3.1Å; F3356-M3358 PolarHBondContact O-N 2.9Å; M3358-Y3361 PolarHBondContact O-N 3.47Å; M3358-S3362 VanDerWaalsContact O-CB 3.27Å; M3358-S3362 WeakPolarHBondContact O-CB 3.29Å; M3358-S3362 PolarHBondContact O-N 3.09Å; M3358-S3362 PolarHBondContact O-OG 3.02Å
3359K84.6Confident84.4Confident92.75 Ų92.7541.1 Ų41.140%0.40321%0.209SC..Hα-helixtrans-62.3-45.9171.7-75.7176.3177.7178.60111.3Q3355 F3356 Y3361 S3362 S3363 E3549Q3355-K3359 WeakPolarHBondContact O-CB 3.28Å; Q3355-K3359 VanDerWaalsContact O-CG 3.31Å; Q3355-K3359 WeakPolarHBondContact O-CG 3.37Å; Q3355-K3359 PolarHBondContact O-N 3.28Å; F3356-K3359 WeakPolarHBondContact O-CB 3.37Å; F3356-K3359 PolarHBondContact O-N 3.15Å; K3359-Y3361 VanDerWaalsContact C-N 3.34Å; K3359-Y3361 PolarHBondContact O-N 3.09Å; K3359-S3362 WeakPolarHBondContact CA-OG 3.42Å; K3359-S3362 PolarHBondContact O-N 3.19Å; K3359-S3362 PolarHBondContact O-OG 2.96Å; K3359-S3362 VanDerWaalsContact O-OG 3.08Å; K3359-S3363 VanDerWaalsContact O-CB 3.28Å; K3359-S3363 WeakPolarHBondContact O-CB 3.4Å; K3359-S3363 PolarHBondContact O-N 3.15Å; K3359-E3549 VanDerWaalsContact NZ-CD 3.27Å; K3359-E3549 IonicContact NZ-OE1 3.72Å; K3359-E3549 PolarHBondContact NZ-OE1 3.01Å; K3359-E3549 IonicContact NZ-OE2 3.61Å; K3359-E3549 PolarHBondContact NZ-OE2 3.2Å; K3359-E3549 VanDerWaalsContact NZ-OE2 3.09Å
3360L87.9Confident83.5Confident14.75 Ų14.7546.6 Ų46.68%0.07724%0.237CC..Hα-helixtrans-60.8-45.2177.4-177.4135.3000111.2F3356 F3357 F3364 F3385 V3389 T3392 V3393F3356-L3360 HydrophobicContact CE1-CD1 4.25Å; F3356-L3360 HydrophobicContact CZ-CD1 4.05Å; F3356-L3360 WeakPolarHBondContact O-CB 3.37Å; F3356-L3360 PolarHBondContact O-N 3.16Å; F3357-L3360 WeakPolarHBondContact O-CB 3.49Å; F3357-L3360 PolarHBondContact O-N 3.08Å; L3360-F3364 WeakPolarHBondContact O-CB 3.24Å; L3360-F3364 PolarHBondContact O-N 3Å; L3360-F3385 HydrophobicContact CD2-CE2 3.84Å; L3360-F3385 HydrophobicContact CD2-CZ 4.31Å; L3360-V3389 HydrophobicContact CD2-CG2 3.83Å; L3360-T3392 HydrophobicContact CD1-CG2 3.88Å; L3360-V3393 HydrophobicContact CD1-CG2 4.47Å
3361Y90.4Very high82.2Confident0.5 Ų0.549.5 Ų49.50%0.00226%0.257CS..Hα-helixtrans-66.6-46178.7-169.4-107.9000112.2L3237 L3240 T3241 A3333 F3357 M3358 K3359 S3363 F3364 I3365 F3385L3237-Y3361 HydrophobicContact CB-CE1 4.26Å; L3237-Y3361 HydrophobicContact CD2-CD1 3.62Å; L3237-Y3361 HydrophobicContact CD2-CD2 4.25Å; L3237-Y3361 HydrophobicContact CD2-CE1 3.98Å; L3237-Y3361 HydrophobicContact CD2-CG 3.91Å; L3240-Y3361 HydrophobicContact CD2-CD1 4.39Å; T3241-Y3361 VanDerWaalsContact OG1-CE1 3.31Å; T3241-Y3361 WeakPolarHBondContact OG1-CE1 3.34Å; T3241-Y3361 PolarHBondContact OG1-OH 3.23Å; A3333-Y3361 HydrophobicContact CB-CD2 3.93Å; A3333-Y3361 HydrophobicContact CB-CE2 3.52Å; F3357-Y3361 WeakPolarHBondContact O-CB 3.35Å; F3357-Y3361 PolarHBondContact O-N 3.03Å; M3358-Y3361 PolarHBondContact O-N 3.47Å; K3359-Y3361 VanDerWaalsContact C-N 3.34Å; K3359-Y3361 PolarHBondContact O-N 3.09Å; Y3361-S3363 PolarHBondContact O-N 3.26Å; Y3361-F3364 WeakPolarHBondContact O-CB 3.39Å; Y3361-F3364 PolarHBondContact O-N 3.19Å; Y3361-I3365 HydrophobicContact CD1-CG1 4.26Å; Y3361-I3365 HydrophobicContact CE1-CD1 4.37Å; Y3361-I3365 HydrophobicContact CE1-CG1 3.97Å; Y3361-I3365 HydrophobicContact CE2-CD1 4.34Å; Y3361-I3365 HydrophobicContact CE2-CG1 4.37Å; Y3361-I3365 WeakPolarHBondContact O-CG1 3.41Å; Y3361-I3365 PolarHBondContact O-N 3.19Å; Y3361-F3385 HydrophobicContact CD2-CD2 4.13Å; Y3361-F3385 HydrophobicContact CD2-CE1 4.45Å; Y3361-F3385 AromaticContact CD2-CE2 3.53Å; Y3361-F3385 HydrophobicContact CD2-CE2 3.53Å; Y3361-F3385 VanDerWaalsContact CD2-CE2 3.49Å; Y3361-F3385 AromaticContact CD2-CZ 3.77Å; Y3361-F3385 HydrophobicContact CD2-CZ 3.77Å; Y3361-F3385 HydrophobicContact CE2-CD2 4.38Å; Y3361-F3385 HydrophobicContact CE2-CE2 4.17Å; Y3361-F3385 HydrophobicContact CE2-CZ 4.29Å; Y3361-F3385 HydrophobicContact CG-CE2 4.46Å
3362S86.7Confident80.7Confident36.75 Ų36.7554.6 Ų54.626%0.25729%0.285SS..Hα-helixtrans-63.7-41.9177.178.30000112.3M3358 K3359 F3364 I3365 S3366M3358-S3362 VanDerWaalsContact O-CB 3.27Å; M3358-S3362 WeakPolarHBondContact O-CB 3.29Å; M3358-S3362 PolarHBondContact O-N 3.09Å; M3358-S3362 PolarHBondContact O-OG 3.02Å; K3359-S3362 WeakPolarHBondContact CA-OG 3.42Å; K3359-S3362 PolarHBondContact O-N 3.19Å; K3359-S3362 PolarHBondContact O-OG 2.96Å; K3359-S3362 VanDerWaalsContact O-OG 3.08Å; S3362-F3364 VanDerWaalsContact C-N 3.32Å; S3362-F3364 PolarHBondContact O-N 3.06Å; S3362-I3365 PolarHBondContact O-N 3.32Å; S3362-S3366 WeakPolarHBondContact O-CB 3.35Å; S3362-S3366 PolarHBondContact O-N 3.32Å; S3362-S3366 PolarHBondContact O-OG 3Å
3363S84.7Confident79.1Confident48.25 Ų48.2557.6 Ų57.634%0.33731%0.314SS..Hα-helixtrans-61.9-39.5173.7-1770000111.8K3359 Y3361 S3366 K3367K3359-S3363 VanDerWaalsContact O-CB 3.28Å; K3359-S3363 WeakPolarHBondContact O-CB 3.4Å; K3359-S3363 PolarHBondContact O-N 3.15Å; Y3361-S3363 PolarHBondContact O-N 3.26Å; S3363-S3366 WeakPolarHBondContact CA-OG 3.39Å; S3363-S3366 PolarHBondContact O-OG 2.92Å; S3363-S3366 VanDerWaalsContact O-OG 3.13Å; S3363-K3367 WeakPolarHBondContact O-CB 3.25Å; S3363-K3367 VanDerWaalsContact O-CD 3.3Å; S3363-K3367 WeakPolarHBondContact O-CD 3.42Å; S3363-K3367 VanDerWaalsContact O-CG 3.29Å; S3363-K3367 WeakPolarHBondContact O-CG 3.31Å; S3363-K3367 PolarHBondContact O-N 2.88Å; S3363-K3367 VanDerWaalsContact O-N 3.13Å; S3363-K3367 WeakPolarHBondContact OG-CE 3.27Å; S3363-K3367 PolarHBondContact OG-NZ 3.15Å
3364F88.3Confident77.5Confident4.25 Ų4.2564 Ų642%0.01935%0.346CS..Hα-helixtrans-61.6-53.5173.9168.8-102.5000111.5L3360 Y3361 S3362 S3366 K3367 Q3368 L3381 T3384 F3385 N3388L3360-F3364 WeakPolarHBondContact O-CB 3.24Å; L3360-F3364 PolarHBondContact O-N 3Å; Y3361-F3364 WeakPolarHBondContact O-CB 3.39Å; Y3361-F3364 PolarHBondContact O-N 3.19Å; S3362-F3364 VanDerWaalsContact C-N 3.32Å; S3362-F3364 PolarHBondContact O-N 3.06Å; F3364-S3366 VanDerWaalsContact C-N 3.33Å; F3364-S3366 PolarHBondContact O-N 3.16Å; F3364-K3367 PolarHBondContact O-N 3.14Å; F3364-Q3368 HydrophobicContact CD2-CG 4.19Å; F3364-Q3368 HydrophobicContact CE1-CG 4.2Å; F3364-Q3368 HydrophobicContact CE2-CG 3.76Å; F3364-Q3368 HydrophobicContact CZ-CG 3.72Å; F3364-Q3368 WeakPolarHBondContact O-CG 3.36Å; F3364-Q3368 PolarHBondContact O-N 3.11Å; F3364-Q3368 VanDerWaalsContact O-N 3.1Å; F3364-L3381 HydrophobicContact CE1-CD2 4.34Å; F3364-L3381 HydrophobicContact CZ-CD2 3.97Å; F3364-L3381 WeakPolarHBondContact CZ-O 3.29Å; F3364-T3384 HydrophobicContact CE2-CG2 3.92Å; F3364-F3385 HydrophobicContact CB-CD2 4.27Å; F3364-F3385 HydrophobicContact CD1-CB 4.15Å; F3364-F3385 AromaticContact CD1-CD2 3.62Å; F3364-F3385 HydrophobicContact CD1-CD2 3.62Å; F3364-F3385 HydrophobicContact CD1-CE2 4.45Å; F3364-F3385 HydrophobicContact CD1-CG 4.24Å; F3364-F3385 HydrophobicContact CD2-CB 4.43Å; F3364-F3385 HydrophobicContact CD2-CD2 4.29Å; F3364-F3385 HydrophobicContact CE1-CB 3.67Å; F3364-F3385 AromaticContact CE1-CD2 3.98Å; F3364-F3385 HydrophobicContact CE1-CD2 4.03Å; F3364-F3385 HydrophobicContact CE1-CG 4.19Å; F3364-F3385 VanDerWaalsContact CE2-CA 3.49Å; F3364-F3385 HydrophobicContact CE2-CB 3.98Å; F3364-F3385 HydrophobicContact CG-CB 4.48Å; F3364-F3385 AromaticContact CG-CD2 3.78Å; F3364-F3385 HydrophobicContact CG-CD2 3.78Å; F3364-F3385 HydrophobicContact CZ-CB 3.58Å; F3364-F3385 HydrophobicContact CZ-CD2 4.47Å; F3364-F3385 HydrophobicContact CZ-CG 4.46Å; F3364-N3388 HydrophobicContact CD2-CB 4.34Å
3365I86.7Confident76Confident2.5 Ų2.568.4 Ų68.41%0.01337%0.365CS..Hα-helixtrans-62.6-43.5-177.3-62.3-63000111.4T3241 E3244 M3245 L3329 Y3361 S3362 K3367 Q3368 K3369T3241-I3365 HydrophobicContact CG2-CD1 4.22Å; E3244-I3365 HydrophobicContact CB-CB 4.34Å; E3244-I3365 HydrophobicContact CB-CG2 3.59Å; E3244-I3365 VanDerWaalsContact CB-CG2 3.46Å; E3244-I3365 HydrophobicContact CG-CG2 4.33Å; M3245-I3365 HydrophobicContact CE-CD1 4.47Å; M3245-I3365 HydrophobicContact CE-CG2 4.14Å; M3245-I3365 HydrophobicContact CG-CG2 3.73Å; M3245-I3365 HydrophobicContact SD-CG2 3.99Å; L3329-I3365 HydrophobicContact CD2-CD1 4.04Å; Y3361-I3365 HydrophobicContact CD1-CG1 4.26Å; Y3361-I3365 HydrophobicContact CE1-CD1 4.37Å; Y3361-I3365 HydrophobicContact CE1-CG1 3.97Å; Y3361-I3365 HydrophobicContact CE2-CD1 4.34Å; Y3361-I3365 HydrophobicContact CE2-CG1 4.37Å; Y3361-I3365 WeakPolarHBondContact O-CG1 3.41Å; Y3361-I3365 PolarHBondContact O-N 3.19Å; S3362-I3365 PolarHBondContact O-N 3.32Å; I3365-K3367 VanDerWaalsContact C-N 3.34Å; I3365-K3367 PolarHBondContact O-N 3.29Å; I3365-Q3368 PolarHBondContact O-N 3.14Å; I3365-Q3368 VanDerWaalsContact O-N 3.1Å; I3365-K3369 PolarHBondContact O-N 3.09Å; I3365-K3369 VanDerWaalsContact O-N 3.14Å
3366S83Confident75Confident47.5 Ų47.564.7 Ų64.733%0.33235%0.349SS..Hα-helixtrans-62.3-38178.178.70000112.8S3362 S3363 F3364 Q3368 K3369S3362-S3366 WeakPolarHBondContact O-CB 3.35Å; S3362-S3366 PolarHBondContact O-N 3.32Å; S3362-S3366 PolarHBondContact O-OG 3Å; S3363-S3366 WeakPolarHBondContact CA-OG 3.39Å; S3363-S3366 PolarHBondContact O-OG 2.92Å; S3363-S3366 VanDerWaalsContact O-OG 3.13Å; F3364-S3366 VanDerWaalsContact C-N 3.33Å; F3364-S3366 PolarHBondContact O-N 3.16Å; S3366-Q3368 VanDerWaalsContact C-N 3.34Å; S3366-Q3368 PolarHBondContact O-N 2.97Å; S3366-K3369 WeakPolarHBondContact O-CB 3.35Å; S3366-K3369 PolarHBondContact O-N 3.02Å
3367K81.9Confident74.3Confident122.25 Ų122.2565.7 Ų65.753%0.53236%0.361SS..Hα-helixtrans-64.1-37.2172.5-75.2172.5-178.1171.60112.4S3363 F3364 I3365 N3370S3363-K3367 WeakPolarHBondContact O-CB 3.25Å; S3363-K3367 VanDerWaalsContact O-CD 3.3Å; S3363-K3367 WeakPolarHBondContact O-CD 3.42Å; S3363-K3367 VanDerWaalsContact O-CG 3.29Å; S3363-K3367 WeakPolarHBondContact O-CG 3.31Å; S3363-K3367 PolarHBondContact O-N 2.88Å; S3363-K3367 VanDerWaalsContact O-N 3.13Å; S3363-K3367 WeakPolarHBondContact OG-CE 3.27Å; S3363-K3367 PolarHBondContact OG-NZ 3.15Å; F3364-K3367 PolarHBondContact O-N 3.14Å; I3365-K3367 VanDerWaalsContact C-N 3.34Å; I3365-K3367 PolarHBondContact O-N 3.29Å; K3367-N3370 PolarHBondContact O-N 2.91Å
3368Q79.5Confident73.6Confident32 Ų3268.5 Ų68.515%0.1538%0.375CS..Hα-helixtrans-73.5-28179.6-62.7-55.2-56.300113.3M3245 F3364 I3365 S3366 N3370 C3371 L3376 L3381M3245-Q3368 HydrophobicContact CE-CB 3.94Å; F3364-Q3368 HydrophobicContact CD2-CG 4.19Å; F3364-Q3368 HydrophobicContact CE1-CG 4.2Å; F3364-Q3368 HydrophobicContact CE2-CG 3.76Å; F3364-Q3368 HydrophobicContact CZ-CG 3.72Å; F3364-Q3368 WeakPolarHBondContact O-CG 3.36Å; F3364-Q3368 PolarHBondContact O-N 3.11Å; F3364-Q3368 VanDerWaalsContact O-N 3.1Å; I3365-Q3368 PolarHBondContact O-N 3.14Å; I3365-Q3368 VanDerWaalsContact O-N 3.1Å; S3366-Q3368 VanDerWaalsContact C-N 3.34Å; S3366-Q3368 PolarHBondContact O-N 2.97Å; Q3368-N3370 PolarHBondContact O-N 3.02Å; Q3368-N3370 VanDerWaalsContact O-N 3.15Å; Q3368-C3371 WeakPolarHBondContact O-CB 3.33Å; Q3368-C3371 PolarHBondContact O-N 3.09Å; Q3368-L3376 HydrophobicContact CB-CD2 4.41Å; Q3368-L3381 HydrophobicContact CB-CD2 3.94Å; Q3368-L3381 HydrophobicContact CG-CD2 3.63Å
3369K70.8Confident73.2Confident98 Ų9871.5 Ų71.543%0.42640%0.395SS..Hα-helixtrans-56.7-32.9176.2-172.9-179.7-172.2161.70113.2E3244 M3245 I3365 S3366 C3371E3244-K3369 VanDerWaalsContact O-CD 3.25Å; E3244-K3369 WeakPolarHBondContact O-CD 3.33Å; E3244-K3369 WeakPolarHBondContact O-CE 3.4Å; E3244-K3369 PolarHBondContact O-NZ 3.23Å; M3245-K3369 HydrophobicContact SD-CB 4.16Å; I3365-K3369 PolarHBondContact O-N 3.09Å; I3365-K3369 VanDerWaalsContact O-N 3.14Å; S3366-K3369 WeakPolarHBondContact O-CB 3.35Å; S3366-K3369 PolarHBondContact O-N 3.02Å; K3369-C3371 VanDerWaalsContact C-N 3.28Å; K3369-C3371 PolarHBondContact O-N 2.99Å
3370N65.2Low73Confident141.25 Ų141.2571.9 Ų71.976%0.75540%0.397SS*.THydrogen-bonded Turntrans-81.1-4-180-66.3-18.9000113.3K3367 Q3368K3367-N3370 PolarHBondContact O-N 2.91Å; Q3368-N3370 PolarHBondContact O-N 3.02Å; Q3368-N3370 VanDerWaalsContact O-N 3.15Å
3371C61Low72.7Confident63.25 Ų63.2571.5 Ų71.543%0.42740%0.395SS..SBendtrans-89.7142.2175.1-620000110.7Q3368 K3369 A3373 L3376Q3368-C3371 WeakPolarHBondContact O-CB 3.33Å; Q3368-C3371 PolarHBondContact O-N 3.09Å; K3369-C3371 VanDerWaalsContact C-N 3.28Å; K3369-C3371 PolarHBondContact O-N 2.99Å; C3371-A3373 PolarHBondContact O-N 3.13Å; C3371-A3373 VanDerWaalsContact O-N 3.15Å; C3371-L3376 HydrophobicContact CB-CD1 4.23Å
3372N53.2Low72.5Confident142.5 Ų142.574.2 Ų74.276%0.76241%0.405SS*.  trans-52.3122.5-176.5-71-21.4000112.6N3374 E3375N3372-N3374 PolarHBondContact O-N 3.09Å; N3372-E3375 PolarHBondContact O-N 3.22Å; N3372-E3375 VanDerWaalsContact O-N 3.1Å
3373A52.4Low72.3Confident83.25 Ų83.2574.7 Ų74.769%0.68841%0.409SS*.G310 helixtrans-55.5-26.6-173.700000114.9C3371 E3375 L3376C3371-A3373 PolarHBondContact O-N 3.13Å; C3371-A3373 VanDerWaalsContact O-N 3.15Å; A3373-E3375 VanDerWaalsContact C-N 3.31Å; A3373-E3375 PolarHBondContact O-N 3.04Å; A3373-E3375 VanDerWaalsContact O-N 3.13Å; A3373-L3376 PolarHBondContact O-N 3.33Å
3374N49.6Very low72.4Confident167.5 Ų167.574.4 Ų74.490%0.89641%0.405SS*.G310 helixtrans-72-9.6-174.9-66.2-2.4000114.5N3372N3372-N3374 PolarHBondContact O-N 3.09Å
3375E49.5Very low72.5Confident136.25 Ų136.2574.2 Ų74.264%0.63740%0.404SS*.G310 helixtrans-114.4-0.9-177.9-87.1-167.6-172.700115.3N3372 A3373 S3377 K3380N3372-E3375 PolarHBondContact O-N 3.22Å; N3372-E3375 VanDerWaalsContact O-N 3.1Å; A3373-E3375 VanDerWaalsContact C-N 3.31Å; A3373-E3375 PolarHBondContact O-N 3.04Å; A3373-E3375 VanDerWaalsContact O-N 3.13Å; E3375-S3377 VanDerWaalsContact C-N 3.33Å; E3375-S3377 PolarHBondContact O-N 3Å; E3375-K3380 WeakPolarHBondContact O-CD 3.49Å; E3375-K3380 IonicContact OE2-NZ 3.35Å; E3375-K3380 PolarHBondContact OE2-NZ 2.95Å
3376L58.5Low72.6Confident45 Ų4574.2 Ų74.224%0.23640%0.404CS..  trans-8568.1-172.4-80.4156.3000112.4M3245 Q3368 C3371 A3373 I3378 L3381M3245-L3376 HydrophobicContact CE-CD1 4.47Å; Q3368-L3376 HydrophobicContact CB-CD2 4.41Å; C3371-L3376 HydrophobicContact CB-CD1 4.23Å; A3373-L3376 PolarHBondContact O-N 3.33Å; L3376-I3378 PolarHBondContact O-N 3.44Å; L3376-L3381 HydrophobicContact CB-CD1 4.49Å; L3376-L3381 HydrophobicContact CD2-CD1 4.03Å; L3376-L3381 HydrophobicContact CD2-CD2 3.53Å; L3376-L3381 VanDerWaalsContact CD2-CD2 3.42Å; L3376-L3381 HydrophobicContact CD2-CG 3.73Å
3377S70.3Confident72.9Confident63.5 Ų63.573.2 Ų73.244%0.44439%0.393SS..  trans-63.8137.2164.41250000110E3375 T3379 K3380 L3381E3375-S3377 VanDerWaalsContact C-N 3.33Å; E3375-S3377 PolarHBondContact O-N 3Å; S3377-T3379 PolarHBondContact O-N 3.31Å; S3377-T3379 VanDerWaalsContact O-N 3.11Å; S3377-T3379 PolarHBondContact OG-N 3.08Å; S3377-T3379 PolarHBondContact OG-OG1 3.08Å; S3377-K3380 WeakPolarHBondContact O-CA 3.5Å; S3377-K3380 WeakPolarHBondContact O-CB 3.27Å; S3377-K3380 PolarHBondContact O-N 3.09Å; S3377-K3380 WeakPolarHBondContact OG-CB 3.39Å; S3377-K3380 PolarHBondContact OG-N 3.24Å; S3377-L3381 PolarHBondContact O-N 3.2Å; S3377-L3381 VanDerWaalsContact O-N 3.13Å
3378I75.5Confident73.2Confident60.75 Ų60.7569.2 Ų69.231%0.31238%0.377SS..Hα-helixtrans-53.4-31.8177.1-65.8156.9000111.1A3325 P3328 L3376 L3381 R3382A3325-I3378 HydrophobicContact CB-CD1 4.45Å; A3325-I3378 WeakPolarHBondContact O-CD1 3.42Å; P3328-I3378 HydrophobicContact CB-CG2 4.4Å; L3376-I3378 PolarHBondContact O-N 3.44Å; I3378-L3381 WeakPolarHBondContact O-CB 3.42Å; I3378-L3381 PolarHBondContact O-N 3.02Å; I3378-R3382 HydrophobicContact CG2-CG 4.38Å; I3378-R3382 WeakPolarHBondContact O-CB 3.41Å; I3378-R3382 VanDerWaalsContact O-CG 3.27Å; I3378-R3382 WeakPolarHBondContact O-CG 3.45Å; I3378-R3382 PolarHBondContact O-N 3.05Å
3379T76.8Confident73.8Confident97.75 Ų97.7567.6 Ų67.660%0.637%0.37SS*.Hα-helixtrans-64.6-43175.4-11.30000112.5S3377 R3382 S3383S3377-T3379 PolarHBondContact O-N 3.31Å; S3377-T3379 VanDerWaalsContact O-N 3.11Å; S3377-T3379 PolarHBondContact OG-N 3.08Å; S3377-T3379 PolarHBondContact OG-OG1 3.08Å; T3379-R3382 WeakPolarHBondContact O-CB 3.45Å; T3379-R3382 PolarHBondContact O-N 3.29Å; T3379-S3383 PolarHBondContact O-N 3.21Å; T3379-S3383 VanDerWaalsContact O-N 3.1Å; T3379-S3383 PolarHBondContact O-OG 3.16Å
3380K80.2Confident74.7Confident102.5 Ų102.563 Ų6345%0.44635%0.35SS..Hα-helixtrans-67.8-39.2176.3-170.6178.6-179.5-178.40111.1E3375 S3377 S3383 T3384E3375-K3380 WeakPolarHBondContact O-CD 3.49Å; E3375-K3380 IonicContact OE2-NZ 3.35Å; E3375-K3380 PolarHBondContact OE2-NZ 2.95Å; S3377-K3380 WeakPolarHBondContact O-CA 3.5Å; S3377-K3380 WeakPolarHBondContact O-CB 3.27Å; S3377-K3380 PolarHBondContact O-N 3.09Å; S3377-K3380 WeakPolarHBondContact OG-CB 3.39Å; S3377-K3380 PolarHBondContact OG-N 3.24Å; K3380-S3383 PolarHBondContact O-N 3.36Å; K3380-S3383 PolarHBondContact O-OG 3.11Å; K3380-S3383 VanDerWaalsContact O-OG 3.05Å; K3380-T3384 WeakPolarHBondContact O-CB 3.4Å; K3380-T3384 PolarHBondContact O-N 3.32Å; K3380-T3384 PolarHBondContact O-OG1 3.31Å
3381L83.3Confident75.8Confident6 Ų657 Ų573%0.03132%0.318CS..Hα-helixtrans-60.2-47.7172.8-80.7173.2000111.8M3245 F3326 L3329 F3364 Q3368 L3376 S3377 I3378 S3383 T3384 F3385M3245-L3381 HydrophobicContact CE-CD1 4Å; M3245-L3381 HydrophobicContact CE-CD2 4.23Å; F3326-L3381 HydrophobicContact CE1-CD1 4.1Å; L3329-L3381 HydrophobicContact CD1-CB 4.35Å; L3329-L3381 HydrophobicContact CD2-CB 4.31Å; L3329-L3381 HydrophobicContact CD2-CD1 4.38Å; F3364-L3381 HydrophobicContact CE1-CD2 4.34Å; F3364-L3381 HydrophobicContact CZ-CD2 3.97Å; F3364-L3381 WeakPolarHBondContact CZ-O 3.29Å; Q3368-L3381 HydrophobicContact CB-CD2 3.94Å; Q3368-L3381 HydrophobicContact CG-CD2 3.63Å; L3376-L3381 HydrophobicContact CB-CD1 4.49Å; L3376-L3381 HydrophobicContact CD2-CD1 4.03Å; L3376-L3381 HydrophobicContact CD2-CD2 3.53Å; L3376-L3381 VanDerWaalsContact CD2-CD2 3.42Å; L3376-L3381 HydrophobicContact CD2-CG 3.73Å; S3377-L3381 PolarHBondContact O-N 3.2Å; S3377-L3381 VanDerWaalsContact O-N 3.13Å; I3378-L3381 WeakPolarHBondContact O-CB 3.42Å; I3378-L3381 PolarHBondContact O-N 3.02Å; L3381-S3383 PolarHBondContact O-N 3.18Å; L3381-T3384 PolarHBondContact O-N 3.12Å; L3381-F3385 WeakPolarHBondContact O-CB 3.22Å; L3381-F3385 PolarHBondContact O-N 3.04Å
3382R84.8Confident77Confident57.25 Ų57.2555 Ų5522%0.21630%0.304CS..Hα-helixtrans-55.9-52.3176.4-132.2173.9116.5174-1.9111.4L3329 V3332 I3378 T3379 T3384 F3385 I3386 I3413 Y3414 E3416L3329-R3382 HydrophobicContact CD1-CG 3.9Å; V3332-R3382 HydrophobicContact CG1-CG 4.34Å; V3332-R3382 HydrophobicContact CG2-CG 4.47Å; I3378-R3382 HydrophobicContact CG2-CG 4.38Å; I3378-R3382 WeakPolarHBondContact O-CB 3.41Å; I3378-R3382 VanDerWaalsContact O-CG 3.27Å; I3378-R3382 WeakPolarHBondContact O-CG 3.45Å; I3378-R3382 PolarHBondContact O-N 3.05Å; T3379-R3382 WeakPolarHBondContact O-CB 3.45Å; T3379-R3382 PolarHBondContact O-N 3.29Å; R3382-T3384 VanDerWaalsContact C-N 3.34Å; R3382-T3384 PolarHBondContact O-N 3.02Å; R3382-F3385 PolarHBondContact O-N 3.03Å; R3382-I3386 HydrophobicContact CG-CD1 3.72Å; R3382-I3386 WeakPolarHBondContact O-CB 3.47Å; R3382-I3386 WeakPolarHBondContact O-CD1 3.35Å; R3382-I3386 VanDerWaalsContact O-CG1 3.22Å; R3382-I3386 WeakPolarHBondContact O-CG1 3.27Å; R3382-I3386 PolarHBondContact O-N 3.22Å; R3382-I3413 PolarHBondContact NH2-O 2.81Å; R3382-Y3414 VanDerWaalsContact CZ-CE1 3.47Å; R3382-E3416 IonicContact NH2-OE1 3.69Å; R3382-E3416 PolarHBondContact NH2-OE1 2.94Å; R3382-E3416 VanDerWaalsContact NH2-OE1 3.11Å
3383S84.1Confident78.8Confident46.5 Ų46.548.2 Ų48.233%0.32527%0.268SS..Hα-helixtrans-63.2-38.2-179.7-40.60000112.9T3379 K3380 L3381 W3387T3379-S3383 PolarHBondContact O-N 3.21Å; T3379-S3383 VanDerWaalsContact O-N 3.1Å; T3379-S3383 PolarHBondContact O-OG 3.16Å; K3380-S3383 PolarHBondContact O-N 3.36Å; K3380-S3383 PolarHBondContact O-OG 3.11Å; K3380-S3383 VanDerWaalsContact O-OG 3.05Å; L3381-S3383 PolarHBondContact O-N 3.18Å; S3383-W3387 WeakPolarHBondContact O-CB 3.39Å; S3383-W3387 PolarHBondContact O-N 3.05Å; S3383-W3387 VanDerWaalsContact O-N 3.08Å
3384T86.6Confident80.5Confident41.75 Ų41.7544.4 Ų44.426%0.25624%0.236SC..Hα-helixtrans-70.3-38.3177.8-49.50000111.8F3364 K3380 L3381 R3382 W3387 N3388F3364-T3384 HydrophobicContact CE2-CG2 3.92Å; K3380-T3384 WeakPolarHBondContact O-CB 3.4Å; K3380-T3384 PolarHBondContact O-N 3.32Å; K3380-T3384 PolarHBondContact O-OG1 3.31Å; L3381-T3384 PolarHBondContact O-N 3.12Å; R3382-T3384 VanDerWaalsContact C-N 3.34Å; R3382-T3384 PolarHBondContact O-N 3.02Å; T3384-W3387 PolarHBondContact O-N 3.25Å; T3384-N3388 WeakPolarHBondContact O-CB 3.37Å; T3384-N3388 PolarHBondContact O-N 3.29Å
3385F90.3Very high82.2Confident0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-63.2-48.4175.1176.8-114.6000111.5L3329 A3333 V3336 F3357 L3360 Y3361 F3364 L3381 R3382 W3387 N3388 V3389L3329-F3385 HydrophobicContact CD1-CB 4.49Å; A3333-F3385 HydrophobicContact CB-CD1 4.45Å; A3333-F3385 HydrophobicContact CB-CE1 3.85Å; A3333-F3385 HydrophobicContact CB-CZ 4.09Å; V3336-F3385 HydrophobicContact CB-CE1 4.25Å; V3336-F3385 HydrophobicContact CG1-CE1 4.28Å; V3336-F3385 HydrophobicContact CG1-CZ 4.33Å; V3336-F3385 HydrophobicContact CG2-CE1 4.07Å; F3357-F3385 AromaticContact CE2-CZ 3.98Å; F3357-F3385 HydrophobicContact CE2-CZ 4.02Å; F3357-F3385 HydrophobicContact CZ-CE1 4.33Å; F3357-F3385 AromaticContact CZ-CZ 3.79Å; F3357-F3385 HydrophobicContact CZ-CZ 3.79Å; L3360-F3385 HydrophobicContact CD2-CE2 3.84Å; L3360-F3385 HydrophobicContact CD2-CZ 4.31Å; Y3361-F3385 HydrophobicContact CD2-CD2 4.13Å; Y3361-F3385 HydrophobicContact CD2-CE1 4.45Å; Y3361-F3385 AromaticContact CD2-CE2 3.53Å; Y3361-F3385 HydrophobicContact CD2-CE2 3.53Å; Y3361-F3385 VanDerWaalsContact CD2-CE2 3.49Å; Y3361-F3385 AromaticContact CD2-CZ 3.77Å; Y3361-F3385 HydrophobicContact CD2-CZ 3.77Å; Y3361-F3385 HydrophobicContact CE2-CD2 4.38Å; Y3361-F3385 HydrophobicContact CE2-CE2 4.17Å; Y3361-F3385 HydrophobicContact CE2-CZ 4.29Å; Y3361-F3385 HydrophobicContact CG-CE2 4.46Å; F3364-F3385 HydrophobicContact CB-CD2 4.27Å; F3364-F3385 HydrophobicContact CD1-CB 4.15Å; F3364-F3385 AromaticContact CD1-CD2 3.62Å; F3364-F3385 HydrophobicContact CD1-CD2 3.62Å; F3364-F3385 HydrophobicContact CD1-CE2 4.45Å; F3364-F3385 HydrophobicContact CD1-CG 4.24Å; F3364-F3385 HydrophobicContact CD2-CB 4.43Å; F3364-F3385 HydrophobicContact CD2-CD2 4.29Å; F3364-F3385 HydrophobicContact CE1-CB 3.67Å; F3364-F3385 AromaticContact CE1-CD2 3.98Å; F3364-F3385 HydrophobicContact CE1-CD2 4.03Å; F3364-F3385 HydrophobicContact CE1-CG 4.19Å; F3364-F3385 VanDerWaalsContact CE2-CA 3.49Å; F3364-F3385 HydrophobicContact CE2-CB 3.98Å; F3364-F3385 HydrophobicContact CG-CB 4.48Å; F3364-F3385 AromaticContact CG-CD2 3.78Å; F3364-F3385 HydrophobicContact CG-CD2 3.78Å; F3364-F3385 HydrophobicContact CZ-CB 3.58Å; F3364-F3385 HydrophobicContact CZ-CD2 4.47Å; F3364-F3385 HydrophobicContact CZ-CG 4.46Å; L3381-F3385 WeakPolarHBondContact O-CB 3.22Å; L3381-F3385 PolarHBondContact O-N 3.04Å; R3382-F3385 PolarHBondContact O-N 3.03Å; F3385-W3387 VanDerWaalsContact C-N 3.27Å; F3385-W3387 PolarHBondContact O-N 3.03Å; F3385-N3388 WeakPolarHBondContact O-CB 3.45Å; F3385-N3388 PolarHBondContact O-N 3.15Å; F3385-N3388 VanDerWaalsContact O-N 3.12Å; F3385-V3389 HydrophobicContact CD1-CG2 4.44Å; F3385-V3389 HydrophobicContact CD2-CG2 4.23Å; F3385-V3389 HydrophobicContact CE1-CG2 3.95Å; F3385-V3389 HydrophobicContact CE2-CG2 3.67Å; F3385-V3389 VanDerWaalsContact CE2-CG2 3.5Å; F3385-V3389 HydrophobicContact CZ-CG2 3.53Å; F3385-V3389 VanDerWaalsContact CZ-CG2 3.41Å; F3385-V3389 WeakPolarHBondContact O-CG2 3.37Å; F3385-V3389 PolarHBondContact O-N 3.11Å
3386I89.1Confident84Confident3.5 Ų3.533 Ų332%0.01818%0.178CC..Hα-helixtrans-57.3-44.5177.3-68.7163.2000110.3V3332 R3382 V3389 I3390 L3409 I3413 Y3414V3332-I3386 HydrophobicContact CG1-CD1 4.45Å; V3332-I3386 HydrophobicContact CG1-CG1 4.42Å; R3382-I3386 HydrophobicContact CG-CD1 3.72Å; R3382-I3386 WeakPolarHBondContact O-CB 3.47Å; R3382-I3386 WeakPolarHBondContact O-CD1 3.35Å; R3382-I3386 VanDerWaalsContact O-CG1 3.22Å; R3382-I3386 WeakPolarHBondContact O-CG1 3.27Å; R3382-I3386 PolarHBondContact O-N 3.22Å; I3386-V3389 PolarHBondContact O-N 3.17Å; I3386-I3390 HydrophobicContact CG2-CD1 3.79Å; I3386-I3390 HydrophobicContact CG2-CG1 4.41Å; I3386-I3390 VanDerWaalsContact O-CG1 3.3Å; I3386-I3390 WeakPolarHBondContact O-CG1 3.42Å; I3386-I3390 PolarHBondContact O-N 3.19Å; I3386-L3409 HydrophobicContact CB-CD2 4.45Å; I3386-L3409 HydrophobicContact CG1-CD2 4.34Å; I3386-L3409 HydrophobicContact CG2-CD2 3.8Å; I3386-I3413 HydrophobicContact CD1-CD1 3.86Å; I3386-I3413 HydrophobicContact CD1-CG2 3.89Å; I3386-I3413 HydrophobicContact CG1-CD1 3.75Å; I3386-I3413 HydrophobicContact CG2-CD1 4.45Å; I3386-Y3414 HydrophobicContact CD1-CE2 3.93Å; I3386-Y3414 WeakPolarHBondContact CD1-OH 3.3Å
3387W88.4Confident85.5Confident26.75 Ų26.7531 Ų3110%0.10117%0.168CC..Hα-helixtrans-60.9-46.7175.5179.5-105.9000112.6S3383 T3384 F3385 V3389 I3390 D3391 R3528 S3530 W3531 K3532 H3534S3383-W3387 WeakPolarHBondContact O-CB 3.39Å; S3383-W3387 PolarHBondContact O-N 3.05Å; S3383-W3387 VanDerWaalsContact O-N 3.08Å; T3384-W3387 PolarHBondContact O-N 3.25Å; F3385-W3387 VanDerWaalsContact C-N 3.27Å; F3385-W3387 PolarHBondContact O-N 3.03Å; W3387-V3389 VanDerWaalsContact C-N 3.26Å; W3387-V3389 PolarHBondContact O-N 3.04Å; W3387-I3390 HydrophobicContact CE3-CB 4.32Å; W3387-I3390 HydrophobicContact CE3-CG2 4.36Å; W3387-I3390 HydrophobicContact CZ3-CB 4.19Å; W3387-I3390 HydrophobicContact CZ3-CG2 3.94Å; W3387-I3390 PolarHBondContact O-N 3.08Å; W3387-I3390 VanDerWaalsContact O-N 3.17Å; W3387-D3391 HydrophobicContact CZ2-CB 4.3Å; W3387-D3391 WeakPolarHBondContact O-CB 3.32Å; W3387-D3391 PolarHBondContact O-N 3.25Å; W3387-R3528 VanDerWaalsContact CD1-CZ 3.48Å; W3387-R3528 VanDerWaalsContact CD1-NH1 3.35Å; W3387-R3528 VanDerWaalsContact CD2-CZ 3.46Å; W3387-R3528 VanDerWaalsContact CD2-NH1 3.3Å; W3387-R3528 VanDerWaalsContact CE2-NH1 3.3Å; W3387-R3528 VanDerWaalsContact NE1-NH1 3.11Å; W3387-S3530 WeakPolarHBondContact CZ3-O 3.11Å; W3387-W3531 WeakPolarHBondContact CH2-O 3.49Å; W3387-W3531 VanDerWaalsContact CZ3-C 3.49Å; W3387-W3531 WeakPolarHBondContact CZ3-O 3.37Å; W3387-K3532 WeakPolarHBondContact CH2-O 3.36Å; W3387-H3534 AromaticContact CZ2-CE1 3.5Å; W3387-H3534 VanDerWaalsContact CZ2-CE1 3.41Å; W3387-H3534 WeakPolarHBondContact CZ2-CE1 3.21Å; W3387-H3534 AromaticContact CZ2-ND1 3.68Å
3388N88.5Confident86.3Confident37 Ų3729.6 Ų29.620%0.19815%0.153CC..Hα-helixtrans-59.3-37.9178.4-170.549.9000111.8F3364 T3384 F3385 T3392F3364-N3388 HydrophobicContact CD2-CB 4.34Å; T3384-N3388 WeakPolarHBondContact O-CB 3.37Å; T3384-N3388 PolarHBondContact O-N 3.29Å; F3385-N3388 WeakPolarHBondContact O-CB 3.45Å; F3385-N3388 PolarHBondContact O-N 3.15Å; F3385-N3388 VanDerWaalsContact O-N 3.12Å; N3388-T3392 VanDerWaalsContact O-CB 3.27Å; N3388-T3392 WeakPolarHBondContact O-CB 3.35Å; N3388-T3392 PolarHBondContact O-N 3.2Å; N3388-T3392 PolarHBondContact O-OG1 3.07Å; N3388-T3392 PolarHBondContact OD1-OG1 2.91Å
3389V91.4Very high86.7Confident0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-67.6-48.3174.8170.60000111.5V3336 I3340 L3360 F3385 I3386 W3387 D3391 T3392 V3393 F3405 L3409V3336-V3389 HydrophobicContact CG1-CB 4.35Å; V3336-V3389 HydrophobicContact CG1-CG1 3.7Å; V3336-V3389 HydrophobicContact CG1-CG2 3.98Å; I3340-V3389 HydrophobicContact CD1-CG1 3.82Å; I3340-V3389 HydrophobicContact CG1-CG1 4.39Å; L3360-V3389 HydrophobicContact CD2-CG2 3.83Å; F3385-V3389 HydrophobicContact CD1-CG2 4.44Å; F3385-V3389 HydrophobicContact CD2-CG2 4.23Å; F3385-V3389 HydrophobicContact CE1-CG2 3.95Å; F3385-V3389 HydrophobicContact CE2-CG2 3.67Å; F3385-V3389 VanDerWaalsContact CE2-CG2 3.5Å; F3385-V3389 HydrophobicContact CZ-CG2 3.53Å; F3385-V3389 VanDerWaalsContact CZ-CG2 3.41Å; F3385-V3389 WeakPolarHBondContact O-CG2 3.37Å; F3385-V3389 PolarHBondContact O-N 3.11Å; I3386-V3389 PolarHBondContact O-N 3.17Å; W3387-V3389 VanDerWaalsContact C-N 3.26Å; W3387-V3389 PolarHBondContact O-N 3.04Å; V3389-D3391 VanDerWaalsContact C-N 3.29Å; V3389-D3391 PolarHBondContact O-N 3.17Å; V3389-T3392 PolarHBondContact O-N 3.05Å; V3389-V3393 HydrophobicContact CG1-CG2 4.09Å; V3389-V3393 VanDerWaalsContact O-CB 3.28Å; V3389-V3393 WeakPolarHBondContact O-CB 3.38Å; V3389-V3393 WeakPolarHBondContact O-CG2 3.38Å; V3389-V3393 PolarHBondContact O-N 3Å; V3389-F3405 HydrophobicContact CG1-CZ 4.3Å; V3389-L3409 HydrophobicContact CG1-CD1 3.87Å
3390I90.6Very high87Confident1.25 Ų1.2534.3 Ų34.31%0.00616%0.159CC..Hα-helixtrans-59.4-43.3178.5-68.7170.2000110.5I3386 W3387 G3394 V3406 L3409 I3526 W3531I3386-I3390 HydrophobicContact CG2-CD1 3.79Å; I3386-I3390 HydrophobicContact CG2-CG1 4.41Å; I3386-I3390 VanDerWaalsContact O-CG1 3.3Å; I3386-I3390 WeakPolarHBondContact O-CG1 3.42Å; I3386-I3390 PolarHBondContact O-N 3.19Å; W3387-I3390 HydrophobicContact CE3-CB 4.32Å; W3387-I3390 HydrophobicContact CE3-CG2 4.36Å; W3387-I3390 HydrophobicContact CZ3-CB 4.19Å; W3387-I3390 HydrophobicContact CZ3-CG2 3.94Å; W3387-I3390 PolarHBondContact O-N 3.08Å; W3387-I3390 VanDerWaalsContact O-N 3.17Å; I3390-G3394 VanDerWaalsContact O-CA 3.26Å; I3390-G3394 WeakPolarHBondContact O-CA 3.44Å; I3390-G3394 PolarHBondContact O-N 3.22Å; I3390-V3406 HydrophobicContact CD1-CG1 4.16Å; I3390-V3406 HydrophobicContact CD1-CG2 4.27Å; I3390-V3406 HydrophobicContact CG1-CG2 4.19Å; I3390-V3406 HydrophobicContact CG2-CG2 4.05Å; I3390-L3409 HydrophobicContact CD1-CD2 4.17Å; I3390-L3409 HydrophobicContact CG1-CD1 4.28Å; I3390-L3409 HydrophobicContact CG1-CD2 3.59Å; I3390-I3526 HydrophobicContact CD1-CD1 3.86Å; I3390-I3526 HydrophobicContact CD1-CG1 4.49Å; I3390-W3531 WeakPolarHBondContact CG2-O 3.24Å
3391D87.5Confident87.5Confident15.25 Ų15.2530.5 Ų30.58%0.08214%0.143CC..Hα-helixtrans-69.1-43.1-179.8-163.768.9000112.1W3387 V3389 R3395 H3534W3387-D3391 HydrophobicContact CZ2-CB 4.3Å; W3387-D3391 WeakPolarHBondContact O-CB 3.32Å; W3387-D3391 PolarHBondContact O-N 3.25Å; V3389-D3391 VanDerWaalsContact C-N 3.29Å; V3389-D3391 PolarHBondContact O-N 3.17Å; D3391-R3395 WeakPolarHBondContact O-CD 3.42Å; D3391-R3395 VanDerWaalsContact O-CG 3.28Å; D3391-R3395 WeakPolarHBondContact O-CG 3.37Å; D3391-R3395 PolarHBondContact O-N 3.19Å; D3391-R3395 PolarHBondContact O-NE 3.17Å; D3391-R3395 IonicContact OD1-NE 3.01Å; D3391-R3395 IonicContact OD1-NH2 3.75Å; D3391-R3395 IonicContact OD2-CZ 3.09Å; D3391-R3395 IonicContact OD2-NE 3.12Å; D3391-R3395 IonicContact OD2-NH2 3.23Å; D3391-R3395 PolarHBondContact OD2-NH2 3.05Å; D3391-H3534 WeakPolarHBondContact OD1-CB 3.39Å; D3391-H3534 IonicContact OD1-CE1 3.33Å; D3391-H3534 IonicContact OD1-CG 3.42Å; D3391-H3534 PolarHBondContact OD1-N 2.87Å; D3391-H3534 IonicContact OD1-ND1 2.95Å; D3391-H3534 PolarHBondContact OD1-ND1 3.38Å
3392T87Confident87.7Confident20.75 Ų20.7531.1 Ų31.113%0.12715%0.146CC..Hα-helixtrans-73.8-51.1-178.5-49.30000111.8F3356 L3360 N3388 V3389 G3394 R3395F3356-T3392 HydrophobicContact CE2-CG2 4.42Å; F3356-T3392 HydrophobicContact CZ-CG2 4.2Å; L3360-T3392 HydrophobicContact CD1-CG2 3.88Å; N3388-T3392 VanDerWaalsContact O-CB 3.27Å; N3388-T3392 WeakPolarHBondContact O-CB 3.35Å; N3388-T3392 PolarHBondContact O-N 3.2Å; N3388-T3392 PolarHBondContact O-OG1 3.07Å; N3388-T3392 PolarHBondContact OD1-OG1 2.91Å; V3389-T3392 PolarHBondContact O-N 3.05Å; T3392-G3394 VanDerWaalsContact C-N 3.34Å; T3392-R3395 PolarHBondContact O-N 3.17Å
3393V90Very high87.9Confident0 Ų029.6 Ų29.60%014%0.141CC..Hα-helixtrans-72.8-31.7-178.91800000110.9I3340 L3343 Y3352 F3356 L3360 V3389 R3395 S3396 V3397 F3405I3340-V3393 HydrophobicContact CD1-CG2 3.95Å; I3340-V3393 HydrophobicContact CG1-CG2 4.31Å; I3340-V3393 HydrophobicContact CG2-CG2 4.47Å; L3343-V3393 HydrophobicContact CD1-CG1 3.98Å; Y3352-V3393 HydrophobicContact CE1-CG1 4.39Å; Y3352-V3393 HydrophobicContact CE2-CG1 4.31Å; F3356-V3393 HydrophobicContact CE1-CG2 4.38Å; L3360-V3393 HydrophobicContact CD1-CG2 4.47Å; V3389-V3393 HydrophobicContact CG1-CG2 4.09Å; V3389-V3393 VanDerWaalsContact O-CB 3.28Å; V3389-V3393 WeakPolarHBondContact O-CB 3.38Å; V3389-V3393 WeakPolarHBondContact O-CG2 3.38Å; V3389-V3393 PolarHBondContact O-N 3Å; V3393-R3395 PolarHBondContact O-N 3.32Å; V3393-S3396 CarbonylContact O-C 3.44Å; V3393-S3396 WeakPolarHBondContact O-CA 3.18Å; V3393-S3396 PolarHBondContact O-N 3.15Å; V3393-S3396 VanDerWaalsContact O-N 3.15Å; V3393-S3396 PolarHBondContact O-OG 3.12Å; V3393-V3397 HydrophobicContact CG1-CG2 4.14Å; V3393-V3397 WeakPolarHBondContact O-CG2 3.3Å; V3393-V3397 PolarHBondContact O-N 3.21Å; V3393-F3405 HydrophobicContact CB-CE1 4.03Å; V3393-F3405 HydrophobicContact CB-CZ 3.8Å; V3393-F3405 HydrophobicContact CG1-CE1 3.95Å; V3393-F3405 HydrophobicContact CG1-CE2 4.18Å; V3393-F3405 HydrophobicContact CG1-CZ 3.67Å; V3393-F3405 HydrophobicContact CG2-CZ 4.49Å
3394G87.9Confident88.3Confident3 Ų331.2 Ų31.23%0.03115%0.146CC..Hα-helixtrans-61.8-28176.700000113.8I3390 T3392 S3396 V3397 H3402I3390-G3394 VanDerWaalsContact O-CA 3.26Å; I3390-G3394 WeakPolarHBondContact O-CA 3.44Å; I3390-G3394 PolarHBondContact O-N 3.22Å; T3392-G3394 VanDerWaalsContact C-N 3.34Å; G3394-S3396 VanDerWaalsContact C-N 3.32Å; G3394-S3396 PolarHBondContact O-N 3.28Å; G3394-V3397 PolarHBondContact O-N 3.16Å; G3394-V3397 VanDerWaalsContact O-O 3.12Å; G3394-H3402 PolarHBondContact O-NE2 3.25Å
3395R85.5Confident88.5Confident46.25 Ų46.2529.4 Ų29.418%0.17513%0.134CC..THydrogen-bonded Turntrans-67.9-22.3173.4-65.2165.5-164-177.44.3113.1D3391 T3392 V3393 S3536 E3544 F3656 I3657D3391-R3395 WeakPolarHBondContact O-CD 3.42Å; D3391-R3395 VanDerWaalsContact O-CG 3.28Å; D3391-R3395 WeakPolarHBondContact O-CG 3.37Å; D3391-R3395 PolarHBondContact O-N 3.19Å; D3391-R3395 PolarHBondContact O-NE 3.17Å; D3391-R3395 IonicContact OD1-NE 3.01Å; D3391-R3395 IonicContact OD1-NH2 3.75Å; D3391-R3395 IonicContact OD2-CZ 3.09Å; D3391-R3395 IonicContact OD2-NE 3.12Å; D3391-R3395 IonicContact OD2-NH2 3.23Å; D3391-R3395 PolarHBondContact OD2-NH2 3.05Å; T3392-R3395 PolarHBondContact O-N 3.17Å; V3393-R3395 PolarHBondContact O-N 3.32Å; R3395-S3536 WeakPolarHBondContact CD-OG 3.08Å; R3395-S3536 WeakPolarHBondContact CG-OG 3.49Å; R3395-S3536 PolarHBondContact NE-OG 2.96Å; R3395-E3544 IonicContact CZ-OE1 3.61Å; R3395-E3544 VanDerWaalsContact NH1-CD 3.31Å; R3395-E3544 IonicContact NH1-OE1 3.45Å; R3395-E3544 PolarHBondContact NH1-OE1 3.29Å; R3395-E3544 IonicContact NH1-OE2 3.6Å; R3395-E3544 PolarHBondContact NH1-OE2 2.86Å; R3395-E3544 VanDerWaalsContact NH1-OE2 3.17Å; R3395-F3656 HydrophobicContact CB-CD2 4Å; R3395-F3656 HydrophobicContact CB-CE2 4.1Å; R3395-F3656 HydrophobicContact CG-CE2 4.33Å; R3395-I3657 PolarHBondContact O-N 2.99Å
3396S86.9Confident88.6Confident19 Ų1929.4 Ų29.413%0.13313%0.134CC..THydrogen-bonded Turntrans-106.86.8-178.959.90000113.6Y3350 Y3352 V3393 G3394 K3655 I3657Y3350-S3396 WeakPolarHBondContact CD1-O 3.22Å; Y3350-S3396 VanDerWaalsContact CE1-O 3.25Å; Y3350-S3396 WeakPolarHBondContact CE1-O 3.46Å; Y3352-S3396 WeakPolarHBondContact CE1-OG 3.36Å; Y3352-S3396 PolarHBondContact OH-O 2.87Å; Y3352-S3396 PolarHBondContact OH-OG 2.87Å; V3393-S3396 CarbonylContact O-C 3.44Å; V3393-S3396 WeakPolarHBondContact O-CA 3.18Å; V3393-S3396 PolarHBondContact O-N 3.15Å; V3393-S3396 VanDerWaalsContact O-N 3.15Å; V3393-S3396 PolarHBondContact O-OG 3.12Å; G3394-S3396 VanDerWaalsContact C-N 3.32Å; G3394-S3396 PolarHBondContact O-N 3.28Å; S3396-K3655 WeakPolarHBondContact CB-O 3.37Å; S3396-I3657 VanDerWaalsContact C-CD1 3.43Å; S3396-I3657 WeakPolarHBondContact O-CD1 3.41Å
3397V89.9Confident88.6Confident3.25 Ų3.2529.6 Ų29.62%0.0214%0.135CC..SBendtrans-115.5139.4174.9177.10000109.3L3343 Y3350 V3393 G3394 E3401 H3402L3343-V3397 HydrophobicContact CD1-CG2 4.24Å; Y3350-V3397 HydrophobicContact CD1-CG2 4.37Å; Y3350-V3397 HydrophobicContact CE1-CB 4.35Å; Y3350-V3397 HydrophobicContact CE1-CG1 4.43Å; Y3350-V3397 HydrophobicContact CE1-CG2 4.2Å; Y3350-V3397 HydrophobicContact CE2-CG1 4.11Å; Y3350-V3397 HydrophobicContact CE2-CG2 4.45Å; V3393-V3397 HydrophobicContact CG1-CG2 4.14Å; V3393-V3397 WeakPolarHBondContact O-CG2 3.3Å; V3393-V3397 PolarHBondContact O-N 3.21Å; G3394-V3397 PolarHBondContact O-N 3.16Å; G3394-V3397 VanDerWaalsContact O-O 3.12Å; V3397-E3401 HydrophobicContact CG1-CB 3.88Å; V3397-H3402 PolarHBondContact O-CD2 3.45Å; V3397-H3402 VanDerWaalsContact O-CD2 3.3Å; V3397-H3402 PolarHBondContact O-NE2 3.18Å
3398F87.5Confident88.6Confident32.75 Ų32.7533.3 Ų33.314%0.14415%0.149CC..  trans-62.2142.5177.2-68.8-67.6000110.9Y3350 R3400 E3401 H3402 I3554 T3556 R3641 I3657 E3659Y3350-F3398 HydrophobicContact CE1-CD2 4.42Å; Y3350-F3398 WeakPolarHBondContact OH-CD2 3.42Å; Y3350-F3398 PolarHBondContact OH-N 3.2Å; F3398-R3400 HydrophobicContact CB-CG 4.17Å; F3398-R3400 PolarHBondContact O-N 3.33Å; F3398-R3400 VanDerWaalsContact O-N 3.08Å; F3398-E3401 WeakPolarHBondContact O-CA 3.44Å; F3398-E3401 PolarHBondContact O-N 3.17Å; F3398-H3402 PolarHBondContact O-CD2 3.16Å; F3398-H3402 VanDerWaalsContact O-CD2 3.25Å; F3398-H3402 PolarHBondContact O-N 3.14Å; F3398-H3402 VanDerWaalsContact O-N 3.16Å; F3398-I3554 HydrophobicContact CE1-CG2 4.41Å; F3398-I3554 HydrophobicContact CZ-CG2 3.88Å; F3398-T3556 HydrophobicContact CD1-CG2 3.98Å; F3398-T3556 HydrophobicContact CE1-CG2 3.67Å; F3398-R3641 HydrophobicContact CZ-CB 4.47Å; F3398-I3657 HydrophobicContact CB-CD1 4.42Å; F3398-I3657 HydrophobicContact CD1-CB 4.5Å; F3398-I3657 HydrophobicContact CD1-CD1 3.82Å; F3398-I3657 HydrophobicContact CD1-CG1 4.39Å; F3398-I3657 HydrophobicContact CD1-CG2 3.44Å; F3398-I3657 VanDerWaalsContact CD1-CG2 3.44Å; F3398-I3657 HydrophobicContact CD2-CD1 3.93Å; F3398-I3657 HydrophobicContact CE1-CD1 3.89Å; F3398-I3657 HydrophobicContact CE1-CG1 4.19Å; F3398-I3657 HydrophobicContact CE1-CG2 3.66Å; F3398-I3657 HydrophobicContact CE2-CD1 3.99Å; F3398-I3657 HydrophobicContact CG-CD1 3.81Å; F3398-I3657 HydrophobicContact CG-CG2 4.3Å; F3398-I3657 HydrophobicContact CZ-CD1 3.96Å; F3398-I3657 HydrophobicContact CZ-CG1 4.36Å; F3398-I3657 VanDerWaalsContact N-CD1 3.29Å; F3398-E3659 WeakPolarHBondContact CA-OE2 3.29Å; F3398-E3659 HydrophobicContact CD1-CG 4.19Å
3399Q84.2Confident88.7Confident68.75 Ų68.7531.5 Ų31.532%0.32114%0.139SC..THydrogen-bonded Turntrans-53.9-34.4-176.4-101.6172.345.600114E3401 H3402 E3659 A3660 S3662Q3399-E3401 PolarHBondContact O-N 3.26Å; Q3399-H3402 WeakPolarHBondContact O-CB 3.23Å; Q3399-H3402 PolarHBondContact O-N 2.92Å; Q3399-E3659 WeakPolarHBondContact CB-OE1 3.38Å; Q3399-E3659 WeakPolarHBondContact CG-OE1 3.48Å; Q3399-E3659 WeakPolarHBondContact CG-OE2 3.47Å; Q3399-E3659 PolarHBondContact N-OE1 2.96Å; Q3399-E3659 PolarHBondContact N-OE2 2.94Å; Q3399-E3659 VanDerWaalsContact NE2-CD 3.31Å; Q3399-E3659 PolarHBondContact NE2-OE1 3.44Å; Q3399-A3660 PolarHBondContact NE2-O 3.22Å; Q3399-A3660 PolarHBondContact OE1-O 2.97Å; Q3399-S3662 VanDerWaalsContact OE1-CB 3.24Å; Q3399-S3662 PolarHBondContact OE1-OG 3.24Å
3400R83.7Confident88.7Confident189.5 Ų189.531.6 Ų31.672%0.71514%0.14SC*.THydrogen-bonded Turntrans-65.4-24.5177.446-179.9-169.6-171.41.8113.5F3398F3398-R3400 HydrophobicContact CB-CG 4.17Å; F3398-R3400 PolarHBondContact O-N 3.33Å; F3398-R3400 VanDerWaalsContact O-N 3.08Å
3401E89.3Confident88.6Confident23 Ų2333.5 Ų33.511%0.10715%0.15CC..THydrogen-bonded Turntrans-104.6-10-175.6-71.2155.2-151.700112.5Y3350 V3397 F3398 Q3399 M3403 I3404 F3405 R3641Y3350-E3401 WeakPolarHBondContact CE2-OE2 3.28Å; Y3350-E3401 VanDerWaalsContact CZ-OE2 3.25Å; Y3350-E3401 PolarHBondContact OH-OE2 3.24Å; V3397-E3401 HydrophobicContact CG1-CB 3.88Å; F3398-E3401 WeakPolarHBondContact O-CA 3.44Å; F3398-E3401 PolarHBondContact O-N 3.17Å; Q3399-E3401 PolarHBondContact O-N 3.26Å; E3401-M3403 VanDerWaalsContact C-N 3.27Å; E3401-M3403 PolarHBondContact O-N 3.31Å; E3401-I3404 WeakPolarHBondContact O-CB 3.28Å; E3401-I3404 PolarHBondContact O-N 3.21Å; E3401-I3404 VanDerWaalsContact O-N 3.07Å; E3401-F3405 PolarHBondContact O-N 3.12Å; E3401-R3641 IonicContact OE1-NH1 3.45Å
3402H89.3Confident88.5Confident18 Ų1834.6 Ų34.68%0.08316%0.161CC..Hα-helixtrans-49.9-45.4175.9-75.8-178.5000112.9G3394 V3397 F3398 Q3399 I3404 F3405 V3406 W3531 P3533G3394-H3402 PolarHBondContact O-NE2 3.25Å; V3397-H3402 PolarHBondContact O-CD2 3.45Å; V3397-H3402 VanDerWaalsContact O-CD2 3.3Å; V3397-H3402 PolarHBondContact O-NE2 3.18Å; F3398-H3402 PolarHBondContact O-CD2 3.16Å; F3398-H3402 VanDerWaalsContact O-CD2 3.25Å; F3398-H3402 PolarHBondContact O-N 3.14Å; F3398-H3402 VanDerWaalsContact O-N 3.16Å; Q3399-H3402 WeakPolarHBondContact O-CB 3.23Å; Q3399-H3402 PolarHBondContact O-N 2.92Å; H3402-I3404 VanDerWaalsContact C-N 3.33Å; H3402-I3404 PolarHBondContact O-N 3.39Å; H3402-F3405 PolarHBondContact O-N 3.16Å; H3402-V3406 WeakPolarHBondContact O-CG2 3.44Å; H3402-V3406 PolarHBondContact O-N 2.95Å; H3402-W3531 HydrophobicContact CB-CH2 4.03Å; H3402-W3531 HydrophobicContact CB-CZ3 3.93Å; H3402-P3533 VanDerWaalsContact CE1-CG 3.44Å; H3402-P3533 WeakPolarHBondContact CE1-CG 3.35Å
3403M89.2Confident88.5Confident26 Ų2634.1 Ų34.113%0.12816%0.157CC..Hα-helixtrans-66-37-178.9-176171.5-80.600111.7E3401 V3406 F3407 L3515 M3518 N3519 L3522 W3531E3401-M3403 VanDerWaalsContact C-N 3.27Å; E3401-M3403 PolarHBondContact O-N 3.31Å; M3403-V3406 PolarHBondContact O-N 3.2Å; M3403-F3407 HydrophobicContact CG-CD2 3.82Å; M3403-F3407 HydrophobicContact CG-CE2 4.09Å; M3403-F3407 WeakPolarHBondContact O-CB 3.32Å; M3403-F3407 WeakPolarHBondContact O-CD2 3.11Å; M3403-F3407 PolarHBondContact O-N 2.89Å; M3403-F3407 HydrophobicContact SD-CE2 4.31Å; M3403-L3515 HydrophobicContact CE-CD1 3.65Å; M3403-L3515 HydrophobicContact CE-CG 4.21Å; M3403-L3515 HydrophobicContact SD-CD1 3.73Å; M3403-L3515 VanDerWaalsContact SD-CD1 3.54Å; M3403-M3518 HydrophobicContact CE-CB 3.95Å; M3403-M3518 HydrophobicContact CG-CE 4.04Å; M3403-M3518 HydrophobicContact SD-CB 3.89Å; M3403-M3518 HydrophobicContact SD-CE 3.51Å; M3403-M3518 VanDerWaalsContact SD-CE 3.54Å; M3403-M3518 WeakPolarHBondContact SD-CE 3.43Å; M3403-M3518 HydrophobicContact SD-CG 4.43Å; M3403-M3518 HydrophobicContact SD-SD 3.86Å; M3403-N3519 WeakPolarHBondContact CE-ND2 3.48Å; M3403-N3519 WeakPolarHBondContact CE-OD1 3.34Å; M3403-L3522 HydrophobicContact CG-CD1 4.28Å; M3403-W3531 VanDerWaalsContact CA-CH2 3.48Å; M3403-W3531 HydrophobicContact CB-CH2 3.88Å; M3403-W3531 HydrophobicContact CB-CZ2 4.22Å; M3403-W3531 HydrophobicContact CE-CH2 4.41Å; M3403-W3531 HydrophobicContact CE-CZ2 3.84Å; M3403-W3531 HydrophobicContact CG-CH2 4.38Å; M3403-W3531 HydrophobicContact CG-CZ2 4.44Å
3404I90.9Very high88.3Confident80.3333 Ų80.333335.5 Ų35.541%0.41216%0.163SC..Hα-helixtrans-65.8-47.7177.7-57.5174.5000109.7L3346 E3401 H3402 V3406 F3407 R3408L3346-I3404 HydrophobicContact CD1-CB 4.49Å; L3346-I3404 HydrophobicContact CD1-CG2 3.82Å; L3346-I3404 HydrophobicContact CD2-CG2 4.43Å; E3401-I3404 WeakPolarHBondContact O-CB 3.28Å; E3401-I3404 PolarHBondContact O-N 3.21Å; E3401-I3404 VanDerWaalsContact O-N 3.07Å; H3402-I3404 VanDerWaalsContact C-N 3.33Å; H3402-I3404 PolarHBondContact O-N 3.39Å; I3404-V3406 PolarHBondContact O-N 3.1Å; I3404-F3407 PolarHBondContact O-N 3.12Å; I3404-R3408 WeakPolarHBondContact O-CG 3.41Å; I3404-R3408 PolarHBondContact O-N 3.24Å
3405F91.6Very high88Confident2.33333 Ų2.3333339.1 Ų39.11%0.0119%0.186CC..Hα-helixtrans-55.6-50.1175.6164.7-130.5000111.5V3339 I3340 L3343 V3389 V3393 E3401 H3402 R3408 L3409V3339-F3405 HydrophobicContact CG1-CD2 4.4Å; V3339-F3405 HydrophobicContact CG1-CE2 4.44Å; I3340-F3405 HydrophobicContact CG1-CE2 4.39Å; L3343-F3405 HydrophobicContact CD1-CD2 3.79Å; L3343-F3405 HydrophobicContact CD1-CE2 4.02Å; L3343-F3405 HydrophobicContact CD1-CG 4.41Å; L3343-F3405 HydrophobicContact CD2-CB 4.14Å; L3343-F3405 HydrophobicContact CD2-CD2 3.93Å; L3343-F3405 HydrophobicContact CD2-CG 4.38Å; L3343-F3405 HydrophobicContact CG-CD2 4.31Å; V3389-F3405 HydrophobicContact CG1-CZ 4.3Å; V3393-F3405 HydrophobicContact CB-CE1 4.03Å; V3393-F3405 HydrophobicContact CB-CZ 3.8Å; V3393-F3405 HydrophobicContact CG1-CE1 3.95Å; V3393-F3405 HydrophobicContact CG1-CE2 4.18Å; V3393-F3405 HydrophobicContact CG1-CZ 3.67Å; V3393-F3405 HydrophobicContact CG2-CZ 4.49Å; E3401-F3405 PolarHBondContact O-N 3.12Å; H3402-F3405 PolarHBondContact O-N 3.16Å; F3405-R3408 PolarHBondContact O-N 3.14Å; F3405-L3409 HydrophobicContact CE2-CB 4.47Å; F3405-L3409 HydrophobicContact CE2-CD1 3.76Å; F3405-L3409 HydrophobicContact CZ-CD1 3.79Å; F3405-L3409 HydrophobicContact CZ-CD2 4.46Å; F3405-L3409 VanDerWaalsContact O-CB 3.32Å; F3405-L3409 WeakPolarHBondContact O-CB 3.41Å; F3405-L3409 PolarHBondContact O-N 3.24Å
3406V91.5Very high87.9Confident1 Ų143.6 Ų43.61%0.00621%0.209CC..Hα-helixtrans-71-34.1-176.7178.20000112.1I3390 H3402 M3403 I3404 L3409 V3410 L3522 I3526 W3531I3390-V3406 HydrophobicContact CD1-CG1 4.16Å; I3390-V3406 HydrophobicContact CD1-CG2 4.27Å; I3390-V3406 HydrophobicContact CG1-CG2 4.19Å; I3390-V3406 HydrophobicContact CG2-CG2 4.05Å; H3402-V3406 WeakPolarHBondContact O-CG2 3.44Å; H3402-V3406 PolarHBondContact O-N 2.95Å; M3403-V3406 PolarHBondContact O-N 3.2Å; I3404-V3406 PolarHBondContact O-N 3.1Å; V3406-L3409 WeakPolarHBondContact O-CB 3.41Å; V3406-L3409 PolarHBondContact O-N 3.44Å; V3406-V3410 HydrophobicContact CG1-CG2 4.5Å; V3406-V3410 WeakPolarHBondContact O-CB 3.25Å; V3406-V3410 VanDerWaalsContact O-CG2 3.32Å; V3406-V3410 WeakPolarHBondContact O-CG2 3.45Å; V3406-V3410 PolarHBondContact O-N 3.33Å; V3406-L3522 HydrophobicContact CB-CD1 4.39Å; V3406-L3522 HydrophobicContact CG1-CD1 4.02Å; V3406-L3522 HydrophobicContact CG1-CD2 4.04Å; V3406-L3522 HydrophobicContact CG1-CG 4.47Å; V3406-I3526 HydrophobicContact CG1-CD1 3.68Å; V3406-W3531 HydrophobicContact CB-CE3 3.94Å; V3406-W3531 HydrophobicContact CB-CZ3 4.01Å; V3406-W3531 HydrophobicContact CG1-CD2 4.27Å; V3406-W3531 HydrophobicContact CG1-CE3 3.97Å; V3406-W3531 HydrophobicContact CG1-CZ3 4.45Å; V3406-W3531 HydrophobicContact CG2-CE3 3.65Å; V3406-W3531 HydrophobicContact CG2-CZ3 3.69Å
3407F90.3Very high87.7Confident8 Ų845.7 Ų45.74%0.03522%0.217CC..Hα-helixtrans-63.9-45170.4-100.4-85.9000112.4M3403 I3404 L3409 V3410 L3411 W3423 F3500 L3503 M3518 F3521 L3522M3403-F3407 HydrophobicContact CG-CD2 3.82Å; M3403-F3407 HydrophobicContact CG-CE2 4.09Å; M3403-F3407 WeakPolarHBondContact O-CB 3.32Å; M3403-F3407 WeakPolarHBondContact O-CD2 3.11Å; M3403-F3407 PolarHBondContact O-N 2.89Å; M3403-F3407 HydrophobicContact SD-CE2 4.31Å; I3404-F3407 PolarHBondContact O-N 3.12Å; F3407-L3409 VanDerWaalsContact C-N 3.28Å; F3407-L3409 PolarHBondContact O-N 3.3Å; F3407-V3410 PolarHBondContact O-N 3.31Å; F3407-L3411 VanDerWaalsContact O-CB 3.28Å; F3407-L3411 WeakPolarHBondContact O-CB 3.34Å; F3407-L3411 WeakPolarHBondContact O-CD1 3.16Å; F3407-L3411 VanDerWaalsContact O-CG 3.31Å; F3407-L3411 WeakPolarHBondContact O-CG 3.36Å; F3407-L3411 PolarHBondContact O-N 3.05Å; F3407-W3423 HydrophobicContact CD1-CH2 4.36Å; F3407-W3423 HydrophobicContact CD1-CZ3 4.11Å; F3407-F3500 HydrophobicContact CE1-CE2 4.36Å; F3407-L3503 HydrophobicContact CE1-CD2 4.18Å; F3407-L3503 HydrophobicContact CZ-CD2 3.96Å; F3407-M3518 HydrophobicContact CD2-CE 3.74Å; F3407-M3518 HydrophobicContact CE2-CB 3.92Å; F3407-M3518 HydrophobicContact CE2-CE 3.32Å; F3407-M3518 HydrophobicContact CE2-CG 4.08Å; F3407-M3518 HydrophobicContact CE2-SD 4.47Å; F3407-M3518 HydrophobicContact CG-CE 4.41Å; F3407-M3518 HydrophobicContact CZ-CB 4.14Å; F3407-M3518 HydrophobicContact CZ-CE 3.76Å; F3407-M3518 HydrophobicContact CZ-CG 4.01Å; F3407-F3521 HydrophobicContact CD1-CE1 4.44Å; F3407-F3521 AromaticContact CE1-CD1 3.81Å; F3407-F3521 HydrophobicContact CE1-CD1 3.81Å; F3407-F3521 AromaticContact CE1-CE1 3.74Å; F3407-F3521 HydrophobicContact CE1-CE1 3.74Å; F3407-F3521 HydrophobicContact CE2-CD1 4.45Å; F3407-F3521 AromaticContact CZ-CD1 3.67Å; F3407-F3521 HydrophobicContact CZ-CD1 3.67Å; F3407-F3521 AromaticContact CZ-CE1 3.97Å; F3407-F3521 HydrophobicContact CZ-CE1 4.1Å; F3407-L3522 HydrophobicContact CD1-CD2 4.49Å; F3407-L3522 HydrophobicContact CD2-CD1 3.79Å; F3407-L3522 HydrophobicContact CD2-CD2 3.89Å; F3407-L3522 HydrophobicContact CD2-CG 4.08Å; F3407-L3522 HydrophobicContact CE1-CD2 4.4Å; F3407-L3522 HydrophobicContact CE2-CD1 3.66Å; F3407-L3522 HydrophobicContact CE2-CD2 3.8Å; F3407-L3522 HydrophobicContact CE2-CG 3.66Å; F3407-L3522 HydrophobicContact CG-CD2 4.26Å; F3407-L3522 HydrophobicContact CZ-CD2 4.14Å; F3407-L3522 HydrophobicContact CZ-CG 4.2Å
3408R88.4Confident87.5Confident103 Ų10346.9 Ų46.939%0.38922%0.221SC..Hα-helixtrans-60.3-40.7175.4-73.4-100-104.5-162.10.3111.6V3339 E3342 I3404 F3405 L3411 A3412V3339-R3408 HydrophobicContact CG1-CB 4.01Å; E3342-R3408 IonicContact OE1-NH2 2.72Å; E3342-R3408 IonicContact OE2-CZ 2.96Å; E3342-R3408 IonicContact OE2-NE 3.69Å; E3342-R3408 IonicContact OE2-NH1 2.78Å; E3342-R3408 IonicContact OE2-NH2 3.4Å; E3342-R3408 PolarHBondContact OE2-NH2 2.96Å; I3404-R3408 WeakPolarHBondContact O-CG 3.41Å; I3404-R3408 PolarHBondContact O-N 3.24Å; F3405-R3408 PolarHBondContact O-N 3.14Å; R3408-L3411 PolarHBondContact O-N 3.06Å; R3408-A3412 WeakPolarHBondContact O-CB 3.41Å; R3408-A3412 PolarHBondContact O-N 3.22Å
3409L90.6Very high87.2Confident0.666667 Ų0.66666752.2 Ų52.20%0.00324%0.241CC..Hα-helixtrans-64.2-44.5176.7-167.2125.6000111.5V3336 V3339 I3386 V3389 I3390 F3405 V3406 F3407 L3411 A3412 I3413V3336-L3409 HydrophobicContact CB-CD1 4.21Å; V3336-L3409 HydrophobicContact CG1-CD1 4.03Å; V3336-L3409 HydrophobicContact CG2-CD1 3.87Å; V3339-L3409 HydrophobicContact CB-CD1 4.34Å; V3339-L3409 HydrophobicContact CG1-CB 4.34Å; V3339-L3409 HydrophobicContact CG1-CD1 4.23Å; I3386-L3409 HydrophobicContact CB-CD2 4.45Å; I3386-L3409 HydrophobicContact CG1-CD2 4.34Å; I3386-L3409 HydrophobicContact CG2-CD2 3.8Å; V3389-L3409 HydrophobicContact CG1-CD1 3.87Å; I3390-L3409 HydrophobicContact CD1-CD2 4.17Å; I3390-L3409 HydrophobicContact CG1-CD1 4.28Å; I3390-L3409 HydrophobicContact CG1-CD2 3.59Å; F3405-L3409 HydrophobicContact CE2-CB 4.47Å; F3405-L3409 HydrophobicContact CE2-CD1 3.76Å; F3405-L3409 HydrophobicContact CZ-CD1 3.79Å; F3405-L3409 HydrophobicContact CZ-CD2 4.46Å; F3405-L3409 VanDerWaalsContact O-CB 3.32Å; F3405-L3409 WeakPolarHBondContact O-CB 3.41Å; F3405-L3409 PolarHBondContact O-N 3.24Å; V3406-L3409 WeakPolarHBondContact O-CB 3.41Å; V3406-L3409 PolarHBondContact O-N 3.44Å; F3407-L3409 VanDerWaalsContact C-N 3.28Å; F3407-L3409 PolarHBondContact O-N 3.3Å; L3409-L3411 PolarHBondContact O-N 3.23Å; L3409-A3412 PolarHBondContact O-N 3.15Å; L3409-I3413 HydrophobicContact CD1-CD1 3.99Å; L3409-I3413 HydrophobicContact CD2-CD1 3.71Å; L3409-I3413 VanDerWaalsContact CD2-CD1 3.43Å; L3409-I3413 HydrophobicContact CD2-CG1 4.39Å; L3409-I3413 HydrophobicContact CG-CD1 3.78Å; L3409-I3413 WeakPolarHBondContact O-CB 3.44Å; L3409-I3413 WeakPolarHBondContact O-CD1 3.42Å; L3409-I3413 VanDerWaalsContact O-CG1 3.23Å; L3409-I3413 WeakPolarHBondContact O-CG1 3.25Å; L3409-I3413 PolarHBondContact O-N 2.96Å
3410V89.9Confident87Confident1.66667 Ų1.6666753.7 Ų53.71%0.0126%0.258CS..Hα-helixtrans-64.3-41.3175.71690000111.6V3406 F3407 A3412 I3413 Y3414 F3418 F3521 L3522 V3525 I3526V3406-V3410 HydrophobicContact CG1-CG2 4.5Å; V3406-V3410 WeakPolarHBondContact O-CB 3.25Å; V3406-V3410 VanDerWaalsContact O-CG2 3.32Å; V3406-V3410 WeakPolarHBondContact O-CG2 3.45Å; V3406-V3410 PolarHBondContact O-N 3.33Å; F3407-V3410 PolarHBondContact O-N 3.31Å; V3410-A3412 VanDerWaalsContact C-N 3.34Å; V3410-A3412 PolarHBondContact O-N 3.28Å; V3410-I3413 PolarHBondContact O-N 3.1Å; V3410-Y3414 HydrophobicContact CG1-CD2 4.35Å; V3410-Y3414 WeakPolarHBondContact O-CA 3.39Å; V3410-Y3414 WeakPolarHBondContact O-CB 3.32Å; V3410-Y3414 PolarHBondContact O-N 3.12Å; V3410-F3418 HydrophobicContact CG1-CE2 4.04Å; V3410-F3418 HydrophobicContact CG1-CZ 3.98Å; V3410-F3521 HydrophobicContact CG1-CE1 4.3Å; V3410-L3522 HydrophobicContact CB-CD2 4.41Å; V3410-L3522 HydrophobicContact CG2-CD2 3.99Å; V3410-V3525 HydrophobicContact CG1-CG1 3.78Å; V3410-V3525 HydrophobicContact CG2-CG1 4.28Å; V3410-I3526 HydrophobicContact CG2-CD1 4.19Å; V3410-I3526 HydrophobicContact CG2-CG1 4.17Å
3411L88.5Confident86.9Confident40 Ų4048.3 Ų48.321%0.20924%0.243CC..Hα-helixtrans-62.8-41.2177.8-103.5157.4000112.6F3407 R3408 L3409 F3418 W3423F3407-L3411 VanDerWaalsContact O-CB 3.28Å; F3407-L3411 WeakPolarHBondContact O-CB 3.34Å; F3407-L3411 WeakPolarHBondContact O-CD1 3.16Å; F3407-L3411 VanDerWaalsContact O-CG 3.31Å; F3407-L3411 WeakPolarHBondContact O-CG 3.36Å; F3407-L3411 PolarHBondContact O-N 3.05Å; R3408-L3411 PolarHBondContact O-N 3.06Å; L3409-L3411 PolarHBondContact O-N 3.23Å; L3411-F3418 HydrophobicContact CB-CE2 4.29Å; L3411-F3418 HydrophobicContact CB-CZ 4.13Å; L3411-F3418 HydrophobicContact CD1-CD1 4.39Å; L3411-F3418 HydrophobicContact CD1-CE1 4.26Å; L3411-F3418 HydrophobicContact CD1-CZ 4.43Å; L3411-F3418 HydrophobicContact CD2-CD1 3.69Å; L3411-F3418 HydrophobicContact CD2-CD2 3.75Å; L3411-F3418 HydrophobicContact CD2-CE1 3.53Å; L3411-F3418 VanDerWaalsContact CD2-CE1 3.5Å; L3411-F3418 HydrophobicContact CD2-CE2 3.61Å; L3411-F3418 HydrophobicContact CD2-CG 3.78Å; L3411-F3418 HydrophobicContact CD2-CZ 3.49Å; L3411-F3418 VanDerWaalsContact CD2-CZ 3.49Å; L3411-F3418 HydrophobicContact CG-CD2 4.4Å; L3411-F3418 HydrophobicContact CG-CE1 4.28Å; L3411-F3418 HydrophobicContact CG-CE2 4.16Å; L3411-F3418 HydrophobicContact CG-CZ 4.05Å; L3411-W3423 HydrophobicContact CD1-CD2 3.77Å; L3411-W3423 HydrophobicContact CD1-CE3 3.92Å; L3411-W3423 HydrophobicContact CD1-CG 3.81Å; L3411-W3423 HydrophobicContact CD1-CH2 3.75Å; L3411-W3423 HydrophobicContact CD1-CZ2 3.56Å; L3411-W3423 VanDerWaalsContact CD1-CZ2 3.45Å; L3411-W3423 HydrophobicContact CD1-CZ3 3.92Å; L3411-W3423 HydrophobicContact CD2-CD2 3.83Å; L3411-W3423 HydrophobicContact CD2-CE3 3.8Å; L3411-W3423 HydrophobicContact CD2-CG 4.23Å; L3411-W3423 HydrophobicContact CD2-CZ3 4.29Å; L3411-W3423 HydrophobicContact CG-CE3 4.41Å; L3411-W3423 HydrophobicContact CG-CZ3 4.41Å
3412A85.9Confident86.8Confident39 Ų3947.2 Ų47.232%0.32224%0.239SC..Hα-helixtrans-73.4-31.8179.500000113.3V3339 R3408 L3409 V3410V3339-A3412 HydrophobicContact CG2-CB 3.4Å; V3339-A3412 VanDerWaalsContact CG2-CB 3.44Å; R3408-A3412 WeakPolarHBondContact O-CB 3.41Å; R3408-A3412 PolarHBondContact O-N 3.22Å; L3409-A3412 PolarHBondContact O-N 3.15Å; V3410-A3412 VanDerWaalsContact C-N 3.34Å; V3410-A3412 PolarHBondContact O-N 3.28Å
3413I86.4Confident86.6Confident10.3333 Ų10.333349.3 Ų49.35%0.05325%0.246CC..Hα-helixtrans-94.1-36.8-174.3-62.1173.9000112.6V3332 V3336 R3382 I3386 L3409 V3410 P3415V3332-I3413 HydrophobicContact CG1-CD1 4.1Å; V3332-I3413 HydrophobicContact CG1-CG1 4.16Å; V3332-I3413 HydrophobicContact CG1-CG2 3.85Å; V3332-I3413 HydrophobicContact CG2-CG2 4.23Å; V3336-I3413 HydrophobicContact CG2-CD1 3.42Å; V3336-I3413 HydrophobicContact CG2-CG1 4.05Å; R3382-I3413 PolarHBondContact NH2-O 2.81Å; I3386-I3413 HydrophobicContact CD1-CD1 3.86Å; I3386-I3413 HydrophobicContact CD1-CG2 3.89Å; I3386-I3413 HydrophobicContact CG1-CD1 3.75Å; I3386-I3413 HydrophobicContact CG2-CD1 4.45Å; L3409-I3413 HydrophobicContact CD1-CD1 3.99Å; L3409-I3413 HydrophobicContact CD2-CD1 3.71Å; L3409-I3413 VanDerWaalsContact CD2-CD1 3.43Å; L3409-I3413 HydrophobicContact CD2-CG1 4.39Å; L3409-I3413 HydrophobicContact CG-CD1 3.78Å; L3409-I3413 WeakPolarHBondContact O-CB 3.44Å; L3409-I3413 WeakPolarHBondContact O-CD1 3.42Å; L3409-I3413 VanDerWaalsContact O-CG1 3.23Å; L3409-I3413 WeakPolarHBondContact O-CG1 3.25Å; L3409-I3413 PolarHBondContact O-N 2.96Å; V3410-I3413 PolarHBondContact O-N 3.1Å; I3413-P3415 WeakPolarHBondContact O-CD 3.41Å
3414Y86.5Confident86.2Confident30.6667 Ų30.666752.2 Ų52.212%0.1226%0.259CS..  trans-119.657.8-176.3-56-90.4000111.9R3382 I3386 V3410 E3416 H3417 F3418 V3525R3382-Y3414 VanDerWaalsContact CZ-CE1 3.47Å; I3386-Y3414 HydrophobicContact CD1-CE2 3.93Å; I3386-Y3414 WeakPolarHBondContact CD1-OH 3.3Å; V3410-Y3414 HydrophobicContact CG1-CD2 4.35Å; V3410-Y3414 WeakPolarHBondContact O-CA 3.39Å; V3410-Y3414 WeakPolarHBondContact O-CB 3.32Å; V3410-Y3414 PolarHBondContact O-N 3.12Å; Y3414-E3416 VanDerWaalsContact C-OE2 3.24Å; Y3414-E3416 VanDerWaalsContact CA-OE2 3.29Å; Y3414-E3416 WeakPolarHBondContact CA-OE2 3.37Å; Y3414-E3416 WeakPolarHBondContact CD1-OE1 3.44Å; Y3414-E3416 PolarHBondContact O-N 3.03Å; Y3414-E3416 VanDerWaalsContact O-N 3.1Å; Y3414-H3417 VanDerWaalsContact CB-CD2 3.46Å; Y3414-H3417 WeakPolarHBondContact CB-CD2 3.46Å; Y3414-H3417 PolarHBondContact O-N 3.1Å; Y3414-H3417 VanDerWaalsContact O-N 3.14Å; Y3414-F3418 WeakPolarHBondContact O-CD2 3.31Å; Y3414-F3418 WeakPolarHBondContact O-CE2 3.17Å; Y3414-V3525 HydrophobicContact CD1-CG1 4.2Å; Y3414-V3525 HydrophobicContact CD2-CG1 4.13Å; Y3414-V3525 HydrophobicContact CE1-CG1 4.48Å; Y3414-V3525 HydrophobicContact CE2-CG1 4.4Å; Y3414-V3525 HydrophobicContact CG-CG1 4.13Å
3415P82.2Confident85.8Confident78.3333 Ų78.333348.6 Ų48.651%0.50924%0.241SC..G310 helixtrans-58.6-24.2177.726.9-35.5000112.3I3413 H3417 F3418I3413-P3415 WeakPolarHBondContact O-CD 3.41Å; P3415-H3417 PolarHBondContact O-N 3.13Å; P3415-H3417 VanDerWaalsContact O-N 3.14Å; P3415-F3418 PolarHBondContact O-N 3.29Å; P3415-F3418 VanDerWaalsContact O-N 3.11Å; P3415-F3418 VanDerWaalsContact O-O 3.12Å
3416E82.3Confident85.6Confident139 Ų13950 Ų5065%0.6525%0.247SC*.G310 helixtrans-59.1-21176.133.2-115.4-163.800114.7R3382 Y3414 F3418R3382-E3416 IonicContact NH2-OE1 3.69Å; R3382-E3416 PolarHBondContact NH2-OE1 2.94Å; R3382-E3416 VanDerWaalsContact NH2-OE1 3.11Å; Y3414-E3416 VanDerWaalsContact C-OE2 3.24Å; Y3414-E3416 VanDerWaalsContact CA-OE2 3.29Å; Y3414-E3416 WeakPolarHBondContact CA-OE2 3.37Å; Y3414-E3416 WeakPolarHBondContact CD1-OE1 3.44Å; Y3414-E3416 PolarHBondContact O-N 3.03Å; Y3414-E3416 VanDerWaalsContact O-N 3.1Å; E3416-F3418 VanDerWaalsContact C-N 3.3Å; E3416-F3418 PolarHBondContact O-N 3.01Å
3417H82.7Confident85.1Confident65 Ų6553.8 Ų53.830%0.30127%0.267SS..G310 helixtrans-82.8-11.2177.1-73.3-44.2000114Y3414 P3415 F3500Y3414-H3417 VanDerWaalsContact CB-CD2 3.46Å; Y3414-H3417 WeakPolarHBondContact CB-CD2 3.46Å; Y3414-H3417 PolarHBondContact O-N 3.1Å; Y3414-H3417 VanDerWaalsContact O-N 3.14Å; P3415-H3417 PolarHBondContact O-N 3.13Å; P3415-H3417 VanDerWaalsContact O-N 3.14Å; H3417-F3500 WeakPolarHBondContact O-CB 3.19Å
3418F85.6Confident84.3Confident27.3333 Ų27.333357.7 Ų57.712%0.1228%0.281CS..SBendtrans-118.2109-176.1-53.1-91000109.2V3410 L3411 Y3414 P3415 E3416 W3423 F3500 F3521V3410-F3418 HydrophobicContact CG1-CE2 4.04Å; V3410-F3418 HydrophobicContact CG1-CZ 3.98Å; L3411-F3418 HydrophobicContact CB-CE2 4.29Å; L3411-F3418 HydrophobicContact CB-CZ 4.13Å; L3411-F3418 HydrophobicContact CD1-CD1 4.39Å; L3411-F3418 HydrophobicContact CD1-CE1 4.26Å; L3411-F3418 HydrophobicContact CD1-CZ 4.43Å; L3411-F3418 HydrophobicContact CD2-CD1 3.69Å; L3411-F3418 HydrophobicContact CD2-CD2 3.75Å; L3411-F3418 HydrophobicContact CD2-CE1 3.53Å; L3411-F3418 VanDerWaalsContact CD2-CE1 3.5Å; L3411-F3418 HydrophobicContact CD2-CE2 3.61Å; L3411-F3418 HydrophobicContact CD2-CG 3.78Å; L3411-F3418 HydrophobicContact CD2-CZ 3.49Å; L3411-F3418 VanDerWaalsContact CD2-CZ 3.49Å; L3411-F3418 HydrophobicContact CG-CD2 4.4Å; L3411-F3418 HydrophobicContact CG-CE1 4.28Å; L3411-F3418 HydrophobicContact CG-CE2 4.16Å; L3411-F3418 HydrophobicContact CG-CZ 4.05Å; Y3414-F3418 WeakPolarHBondContact O-CD2 3.31Å; Y3414-F3418 WeakPolarHBondContact O-CE2 3.17Å; P3415-F3418 PolarHBondContact O-N 3.29Å; P3415-F3418 VanDerWaalsContact O-N 3.11Å; P3415-F3418 VanDerWaalsContact O-O 3.12Å; E3416-F3418 VanDerWaalsContact C-N 3.3Å; E3416-F3418 PolarHBondContact O-N 3.01Å; F3418-W3423 HydrophobicContact CD1-CE3 4.3Å; F3418-W3423 HydrophobicContact CE1-CE3 4.24Å; F3418-W3423 HydrophobicContact CE1-CZ3 4.42Å; F3418-F3500 AromaticContact CD1-CD1 3.87Å; F3418-F3500 HydrophobicContact CD1-CD1 3.87Å; F3418-F3500 AromaticContact CD1-CD2 3.89Å; F3418-F3500 HydrophobicContact CD1-CD2 3.89Å; F3418-F3500 AromaticContact CD1-CE1 3.86Å; F3418-F3500 HydrophobicContact CD1-CE1 3.91Å; F3418-F3500 AromaticContact CD1-CE2 3.9Å; F3418-F3500 HydrophobicContact CD1-CE2 3.93Å; F3418-F3500 AromaticContact CD1-CG 3.87Å; F3418-F3500 HydrophobicContact CD1-CG 3.87Å; F3418-F3500 AromaticContact CD1-CZ 3.88Å; F3418-F3500 HydrophobicContact CD1-CZ 3.94Å; F3418-F3500 HydrophobicContact CE1-CD1 4.39Å; F3418-F3500 AromaticContact CE1-CD2 3.56Å; F3418-F3500 HydrophobicContact CE1-CD2 3.56Å; F3418-F3500 HydrophobicContact CE1-CE1 4.39Å; F3418-F3500 AromaticContact CE1-CE2 3.56Å; F3418-F3500 HydrophobicContact CE1-CE2 3.56Å; F3418-F3500 VanDerWaalsContact CE1-CE2 3.48Å; F3418-F3500 AromaticContact CE1-CG 3.95Å; F3418-F3500 HydrophobicContact CE1-CG 4Å; F3418-F3500 AromaticContact CE1-CZ 3.93Å; F3418-F3500 HydrophobicContact CE1-CZ 4Å; F3418-F3521 HydrophobicContact CE1-CZ 4.29Å; F3418-F3521 HydrophobicContact CZ-CE1 4.23Å; F3418-F3521 AromaticContact CZ-CZ 3.98Å; F3418-F3521 HydrophobicContact CZ-CZ 4.07Å
3419R82.5Confident83.2Confident144.667 Ų144.66756.2 Ų56.255%0.54628%0.281SS..  trans-77.2164.3174-51.8-179.1177.1174.32.8110.2N3421 E3422R3419-N3421 PolarHBondContact O-N 3.25Å; R3419-E3422 VanDerWaalsContact CB-CD 3.45Å; R3419-E3422 HydrophobicContact CB-CG 3.94Å; R3419-E3422 WeakPolarHBondContact CB-OE1 3.42Å; R3419-E3422 WeakPolarHBondContact CD-OE1 3.16Å; R3419-E3422 PolarHBondContact N-OE2 3.05Å; R3419-E3422 WeakPolarHBondContact O-CB 3.39Å; R3419-E3422 WeakPolarHBondContact O-CG 3.39Å; R3419-E3422 PolarHBondContact O-N 3.25Å; R3419-E3422 VanDerWaalsContact O-N 3.13Å
3420S78.6Confident81.6Confident99 Ų9959.2 Ų59.269%0.69230%0.301SS*.THydrogen-bonded Turntrans-50.1134.2176.252.20000111.9E3422S3420-E3422 PolarHBondContact O-N 3.15Å; S3420-E3422 VanDerWaalsContact O-N 3.15Å
3421N82.1Confident79.8Confident76 Ų7665.7 Ų65.741%0.40633%0.332SS..THydrogen-bonded Turntrans69.1-7.3-179.2-49.6-23.3000116.1R3419 E3424 C3425 F3460 L3461R3419-N3421 PolarHBondContact O-N 3.25Å; N3421-E3424 VanDerWaalsContact C-OE2 3.27Å; N3421-E3424 WeakPolarHBondContact CA-OE2 3.43Å; N3421-E3424 PolarHBondContact N-OE2 3.09Å; N3421-C3425 VanDerWaalsContact O-CB 3.26Å; N3421-C3425 WeakPolarHBondContact O-CB 3.21Å; N3421-C3425 PolarHBondContact O-N 3.24Å; N3421-F3460 HydrophobicContact CB-CB 4.23Å; N3421-F3460 HydrophobicContact CB-CD1 4.29Å; N3421-F3460 PolarHBondContact ND2-O 3.29Å; N3421-L3461 HydrophobicContact CB-CD2 4.42Å
3422E87.1Confident77.9Confident1.66667 Ų1.6666765.5 Ų65.51%0.00834%0.336CS..Hα-helixtrans-67.9-41.4-179.1-66.8-175162.500111.7R3419 S3420 C3425 F3426 L3461 F3500 Q3501 L3504R3419-E3422 VanDerWaalsContact CB-CD 3.45Å; R3419-E3422 HydrophobicContact CB-CG 3.94Å; R3419-E3422 WeakPolarHBondContact CB-OE1 3.42Å; R3419-E3422 WeakPolarHBondContact CD-OE1 3.16Å; R3419-E3422 PolarHBondContact N-OE2 3.05Å; R3419-E3422 WeakPolarHBondContact O-CB 3.39Å; R3419-E3422 WeakPolarHBondContact O-CG 3.39Å; R3419-E3422 PolarHBondContact O-N 3.25Å; R3419-E3422 VanDerWaalsContact O-N 3.13Å; S3420-E3422 PolarHBondContact O-N 3.15Å; S3420-E3422 VanDerWaalsContact O-N 3.15Å; E3422-C3425 WeakPolarHBondContact O-CB 3.33Å; E3422-C3425 PolarHBondContact O-N 2.82Å; E3422-F3426 WeakPolarHBondContact O-CB 3.36Å; E3422-F3426 PolarHBondContact O-N 3.35Å; E3422-L3461 HydrophobicContact CB-CD1 4.5Å; E3422-L3461 HydrophobicContact CG-CD1 4Å; E3422-L3461 HydrophobicContact CG-CD2 3.76Å; E3422-F3500 HydrophobicContact CB-CD1 3.84Å; E3422-F3500 HydrophobicContact CB-CE1 3.77Å; E3422-Q3501 WeakPolarHBondContact OE1-CG 3.29Å; E3422-Q3501 PolarHBondContact OE1-NE2 3.11Å; E3422-L3504 HydrophobicContact CB-CD1 4.15Å; E3422-L3504 HydrophobicContact CG-CD1 4.4Å
3423W85.2Confident76.1Confident60.3333 Ų60.333367.9 Ų67.923%0.22935%0.35CS..Hα-helixtrans-69.9-41.1179.9-178-113000112.2F3407 L3411 F3418 C3425 F3426 L3427 F3500F3407-W3423 HydrophobicContact CD1-CH2 4.36Å; F3407-W3423 HydrophobicContact CD1-CZ3 4.11Å; L3411-W3423 HydrophobicContact CD1-CD2 3.77Å; L3411-W3423 HydrophobicContact CD1-CE3 3.92Å; L3411-W3423 HydrophobicContact CD1-CG 3.81Å; L3411-W3423 HydrophobicContact CD1-CH2 3.75Å; L3411-W3423 HydrophobicContact CD1-CZ2 3.56Å; L3411-W3423 VanDerWaalsContact CD1-CZ2 3.45Å; L3411-W3423 HydrophobicContact CD1-CZ3 3.92Å; L3411-W3423 HydrophobicContact CD2-CD2 3.83Å; L3411-W3423 HydrophobicContact CD2-CE3 3.8Å; L3411-W3423 HydrophobicContact CD2-CG 4.23Å; L3411-W3423 HydrophobicContact CD2-CZ3 4.29Å; L3411-W3423 HydrophobicContact CG-CE3 4.41Å; L3411-W3423 HydrophobicContact CG-CZ3 4.41Å; F3418-W3423 HydrophobicContact CD1-CE3 4.3Å; F3418-W3423 HydrophobicContact CE1-CE3 4.24Å; F3418-W3423 HydrophobicContact CE1-CZ3 4.42Å; W3423-C3425 VanDerWaalsContact C-N 3.31Å; W3423-C3425 PolarHBondContact O-N 3.07Å; W3423-F3426 HydrophobicContact CE3-CB 4.42Å; W3423-F3426 AromaticContact CE3-CD1 3.97Å; W3423-F3426 HydrophobicContact CE3-CD1 4.06Å; W3423-F3426 HydrophobicContact CE3-CG 4.48Å; W3423-F3426 AromaticContact CH2-CD1 3.88Å; W3423-F3426 HydrophobicContact CH2-CD1 4.05Å; W3423-F3426 HydrophobicContact CH2-CE1 4.26Å; W3423-F3426 AromaticContact CZ3-CD1 3.6Å; W3423-F3426 HydrophobicContact CZ3-CD1 3.6Å; W3423-F3426 AromaticContact CZ3-CE1 3.96Å; W3423-F3426 HydrophobicContact CZ3-CE1 4.02Å; W3423-F3426 HydrophobicContact CZ3-CG 4.35Å; W3423-F3426 WeakPolarHBondContact O-CB 3.31Å; W3423-F3426 PolarHBondContact O-N 3.25Å; W3423-F3426 VanDerWaalsContact O-N 3.13Å; W3423-L3427 HydrophobicContact CD2-CD1 4.43Å; W3423-L3427 HydrophobicContact CD2-CG 4.41Å; W3423-L3427 HydrophobicContact CH2-CD2 4.24Å; W3423-L3427 HydrophobicContact CZ2-CD1 4.21Å; W3423-L3427 HydrophobicContact CZ2-CD2 3.89Å; W3423-L3427 HydrophobicContact CZ2-CG 4.15Å; W3423-L3427 PolarHBondContact O-N 3.38Å; W3423-L3427 VanDerWaalsContact O-N 3.1Å; W3423-F3500 HydrophobicContact CE3-CE2 4.28Å; W3423-F3500 AromaticContact CE3-CZ 3.78Å; W3423-F3500 HydrophobicContact CE3-CZ 3.78Å; W3423-F3500 HydrophobicContact CZ3-CE2 4.39Å; W3423-F3500 HydrophobicContact CZ3-CZ 4.25Å
3424E82Confident74.3Confident88 Ų8870.8 Ų70.841%0.41138%0.382SS..Hα-helixtrans-62.7-40174.2-64106.6-174.800111.1N3421 F3426 L3427 R3428 I3429 F3460N3421-E3424 VanDerWaalsContact C-OE2 3.27Å; N3421-E3424 WeakPolarHBondContact CA-OE2 3.43Å; N3421-E3424 PolarHBondContact N-OE2 3.09Å; E3424-F3426 VanDerWaalsContact C-N 3.35Å; E3424-L3427 PolarHBondContact O-N 3.02Å; E3424-R3428 WeakPolarHBondContact O-CB 3.25Å; E3424-R3428 WeakPolarHBondContact O-CG 3.23Å; E3424-R3428 PolarHBondContact O-N 3.42Å; E3424-I3429 PolarHBondContact O-N 3.16Å; E3424-F3460 HydrophobicContact CB-CE1 4.45Å
3425C82.6Confident72.5Confident4.66667 Ų4.6666773.4 Ų73.43%0.03240%0.398CS..Hα-helixtrans-63.1-40.2173.3-172.20000111.8N3421 E3422 W3423 L3427 R3428 I3429 F3460 L3461N3421-C3425 VanDerWaalsContact O-CB 3.26Å; N3421-C3425 WeakPolarHBondContact O-CB 3.21Å; N3421-C3425 PolarHBondContact O-N 3.24Å; E3422-C3425 WeakPolarHBondContact O-CB 3.33Å; E3422-C3425 PolarHBondContact O-N 2.82Å; W3423-C3425 VanDerWaalsContact C-N 3.31Å; W3423-C3425 PolarHBondContact O-N 3.07Å; C3425-L3427 PolarHBondContact O-N 2.92Å; C3425-R3428 PolarHBondContact O-N 3.03Å; C3425-I3429 WeakPolarHBondContact O-CD1 3.39Å; C3425-I3429 VanDerWaalsContact O-CG1 3.25Å; C3425-I3429 WeakPolarHBondContact O-CG1 3.14Å; C3425-I3429 PolarHBondContact O-N 3.1Å; C3425-F3460 HydrophobicContact CB-CB 4.14Å; C3425-F3460 HydrophobicContact CB-CD2 4.49Å; C3425-F3460 HydrophobicContact CB-CG 4.36Å; C3425-L3461 HydrophobicContact CB-CD1 4.21Å; C3425-L3461 HydrophobicContact CB-CG 4.49Å
3426F85.9Confident70.9Confident30.6667 Ų30.666775 Ų7514%0.13541%0.411CS..Hα-helixtrans-63-47.8176.7-179.2-104000112.3E3422 W3423 E3424 R3428 I3429 F3500 L3503 L3504 A3507 L3514 M3518E3422-F3426 WeakPolarHBondContact O-CB 3.36Å; E3422-F3426 PolarHBondContact O-N 3.35Å; W3423-F3426 HydrophobicContact CE3-CB 4.42Å; W3423-F3426 AromaticContact CE3-CD1 3.97Å; W3423-F3426 HydrophobicContact CE3-CD1 4.06Å; W3423-F3426 HydrophobicContact CE3-CG 4.48Å; W3423-F3426 AromaticContact CH2-CD1 3.88Å; W3423-F3426 HydrophobicContact CH2-CD1 4.05Å; W3423-F3426 HydrophobicContact CH2-CE1 4.26Å; W3423-F3426 AromaticContact CZ3-CD1 3.6Å; W3423-F3426 HydrophobicContact CZ3-CD1 3.6Å; W3423-F3426 AromaticContact CZ3-CE1 3.96Å; W3423-F3426 HydrophobicContact CZ3-CE1 4.02Å; W3423-F3426 HydrophobicContact CZ3-CG 4.35Å; W3423-F3426 WeakPolarHBondContact O-CB 3.31Å; W3423-F3426 PolarHBondContact O-N 3.25Å; W3423-F3426 VanDerWaalsContact O-N 3.13Å; E3424-F3426 VanDerWaalsContact C-N 3.35Å; F3426-R3428 PolarHBondContact O-N 3.25Å; F3426-I3429 PolarHBondContact O-N 2.88Å; F3426-F3500 HydrophobicContact CB-CE1 4.32Å; F3426-F3500 HydrophobicContact CB-CZ 3.72Å; F3426-F3500 HydrophobicContact CD1-CZ 4.36Å; F3426-F3500 HydrophobicContact CD2-CE2 4.32Å; F3426-F3500 HydrophobicContact CD2-CZ 4.23Å; F3426-F3500 HydrophobicContact CG-CE2 4.41Å; F3426-F3500 AromaticContact CG-CZ 3.82Å; F3426-F3500 HydrophobicContact CG-CZ 3.9Å; F3426-L3503 HydrophobicContact CE2-CD1 4.43Å; F3426-L3503 HydrophobicContact CE2-CD2 4.07Å; F3426-L3503 HydrophobicContact CE2-CG 4.19Å; F3426-L3504 HydrophobicContact CB-CD2 3.81Å; F3426-L3504 HydrophobicContact CD2-CD2 4.12Å; F3426-L3504 HydrophobicContact CG-CD2 4.45Å; F3426-A3507 HydrophobicContact CD2-CB 4.44Å; F3426-A3507 HydrophobicContact CE2-CB 4.37Å; F3426-L3514 HydrophobicContact CE2-CD1 4.01Å; F3426-L3514 HydrophobicContact CZ-CD1 4.44Å; F3426-M3518 HydrophobicContact CE1-CE 4.47Å; F3426-M3518 HydrophobicContact CZ-CE 3.98Å; F3426-M3518 HydrophobicContact CZ-CG 4.46Å; F3426-M3518 HydrophobicContact CZ-SD 4.15Å
3427L81.7Confident69.5Low81.3333 Ų81.333371.5 Ų71.543%0.42640%0.396SS..Hα-helixtrans-67.3-23178.4-66.2179.6000112.8W3423 E3424 C3425 I3429 S3430W3423-L3427 HydrophobicContact CD2-CD1 4.43Å; W3423-L3427 HydrophobicContact CD2-CG 4.41Å; W3423-L3427 HydrophobicContact CH2-CD2 4.24Å; W3423-L3427 HydrophobicContact CZ2-CD1 4.21Å; W3423-L3427 HydrophobicContact CZ2-CD2 3.89Å; W3423-L3427 HydrophobicContact CZ2-CG 4.15Å; W3423-L3427 PolarHBondContact O-N 3.38Å; W3423-L3427 VanDerWaalsContact O-N 3.1Å; E3424-L3427 PolarHBondContact O-N 3.02Å; C3425-L3427 PolarHBondContact O-N 2.92Å; L3427-I3429 HydrophobicContact CB-CD1 3.81Å; L3427-I3429 HydrophobicContact CB-CG1 3.84Å; L3427-I3429 HydrophobicContact CD1-CD1 3.84Å; L3427-I3429 HydrophobicContact CG-CD1 4.46Å; L3427-I3429 PolarHBondContact O-N 3.03Å; L3427-S3430 PolarHBondContact O-N 2.92Å
3428R74Confident68.2Low90.3333 Ų90.333376 Ų7634%0.34142%0.415SS..THydrogen-bonded Turntrans28.111.2-175.8-60.6-178.4175.4176.20.1113.9E3424 C3425 F3426 S3430 E3431 A3432 M3456 A3507 Q3511E3424-R3428 WeakPolarHBondContact O-CB 3.25Å; E3424-R3428 WeakPolarHBondContact O-CG 3.23Å; E3424-R3428 PolarHBondContact O-N 3.42Å; C3425-R3428 PolarHBondContact O-N 3.03Å; F3426-R3428 PolarHBondContact O-N 3.25Å; R3428-S3430 PolarHBondContact O-N 3.19Å; R3428-S3430 VanDerWaalsContact O-N 3.13Å; R3428-E3431 PolarHBondContact O-N 3.33Å; R3428-E3431 VanDerWaalsContact O-N 3.12Å; R3428-A3432 PolarHBondContact O-N 3.17Å; R3428-M3456 HydrophobicContact CB-CE 3.98Å; R3428-M3456 HydrophobicContact CG-CE 4.36Å; R3428-A3507 PolarHBondContact NH2-O 3.03Å; R3428-Q3511 VanDerWaalsContact NH2-CD 3.3Å
3429I65.8Low66.6Low72 Ų7279.2 Ų79.237%0.36945%0.446SS..  trans-75.369177.1-65.1167.6000109.4E3424 C3425 F3426 L3427 E3431 A3432 M3456 L3504 A3507 T3508E3424-I3429 PolarHBondContact O-N 3.16Å; C3425-I3429 WeakPolarHBondContact O-CD1 3.39Å; C3425-I3429 VanDerWaalsContact O-CG1 3.25Å; C3425-I3429 WeakPolarHBondContact O-CG1 3.14Å; C3425-I3429 PolarHBondContact O-N 3.1Å; F3426-I3429 PolarHBondContact O-N 2.88Å; L3427-I3429 HydrophobicContact CB-CD1 3.81Å; L3427-I3429 HydrophobicContact CB-CG1 3.84Å; L3427-I3429 HydrophobicContact CD1-CD1 3.84Å; L3427-I3429 HydrophobicContact CG-CD1 4.46Å; L3427-I3429 PolarHBondContact O-N 3.03Å; I3429-E3431 VanDerWaalsContact C-N 3.3Å; I3429-E3431 HydrophobicContact CG2-CB 4.46Å; I3429-E3431 PolarHBondContact O-N 3.24Å; I3429-A3432 HydrophobicContact CG2-CB 4.04Å; I3429-M3456 HydrophobicContact CG1-CB 4.37Å; I3429-L3504 HydrophobicContact CD1-CD2 4.04Å; I3429-A3507 HydrophobicContact CD1-CB 4.39Å; I3429-T3508 HydrophobicContact CD1-CG2 3.59Å; I3429-T3508 HydrophobicContact CG1-CG2 4.15Å
3430S56.4Low65.4Low63.3333 Ų63.333379.1 Ų79.144%0.44345%0.452SS..SBendtrans-99.2-24174.2-169.80000112.1L3427 R3428 A3432 S3433 L3435 L3437L3427-S3430 PolarHBondContact O-N 2.92Å; R3428-S3430 PolarHBondContact O-N 3.19Å; R3428-S3430 VanDerWaalsContact O-N 3.13Å; S3430-A3432 PolarHBondContact O-N 3.19Å; S3430-S3433 PolarHBondContact O-OG 3.13Å; S3430-L3435 PolarHBondContact OG-O 3.32Å; S3430-L3437 WeakPolarHBondContact OG-CD1 3.24Å
3431E52.3Low64.8Low139 Ų13979.5 Ų79.565%0.6545%0.447SS*.Hα-helixtrans-78.5-4.4-177.7-60.8-175.1154.500113.3K2625 R3428 I3429 S3433 G3434K2625-E3431 VanDerWaalsContact CD-OE1 3.31Å; K2625-E3431 WeakPolarHBondContact CD-OE1 3.44Å; K2625-E3431 VanDerWaalsContact CE-OE1 3.31Å; K2625-E3431 WeakPolarHBondContact CE-OE1 3.5Å; K2625-E3431 IonicContact NZ-OE1 3.02Å; K2625-E3431 PolarHBondContact NZ-OE1 2.76Å; R3428-E3431 PolarHBondContact O-N 3.33Å; R3428-E3431 VanDerWaalsContact O-N 3.12Å; I3429-E3431 VanDerWaalsContact C-N 3.3Å; I3429-E3431 HydrophobicContact CG2-CB 4.46Å; I3429-E3431 PolarHBondContact O-N 3.24Å; E3431-S3433 PolarHBondContact O-N 3.25Å; E3431-S3433 PolarHBondContact O-OG 3.13Å; E3431-G3434 PolarHBondContact O-N 3.03Å
3432A47.4Very low64.4Low34.6667 Ų34.666777.1 Ų77.129%0.28743%0.433SS..G310 helixtrans-65.9-5.1-178.700000114.2R3428 I3429 S3430 G3434 L3435 Q3452 M3456R3428-A3432 PolarHBondContact O-N 3.17Å; I3429-A3432 HydrophobicContact CG2-CB 4.04Å; S3430-A3432 PolarHBondContact O-N 3.19Å; A3432-G3434 VanDerWaalsContact C-N 3.34Å; A3432-G3434 PolarHBondContact O-N 3.2Å; A3432-G3434 VanDerWaalsContact O-N 3.13Å; A3432-L3435 HydrophobicContact CB-CB 4.38Å; A3432-L3435 HydrophobicContact CB-CD1 4.04Å; A3432-L3435 HydrophobicContact CB-CG 4.27Å; A3432-L3435 PolarHBondContact O-N 3.28Å; A3432-Q3452 HydrophobicContact CB-CB 4.08Å; A3432-Q3452 PolarHBondContact O-OE1 3.13Å; A3432-M3456 HydrophobicContact CB-CG 3.89Å; A3432-M3456 HydrophobicContact CB-SD 4.21Å
3433S48.1Very low63.7Low89 Ų8978.6 Ų78.662%0.62244%0.442SS*.G310 helixtrans-77.414.217539.30000113.2S3430 E3431 L3435 F3460S3430-S3433 PolarHBondContact O-OG 3.13Å; E3431-S3433 PolarHBondContact O-N 3.25Å; E3431-S3433 PolarHBondContact O-OG 3.13Å; S3433-L3435 PolarHBondContact O-N 2.67Å; S3433-F3460 VanDerWaalsContact CB-CE1 3.45Å; S3433-F3460 WeakPolarHBondContact OG-CE1 3.24Å; S3433-F3460 WeakPolarHBondContact OG-CZ 3.29Å
3434G49.1Very low63.1Low71.3333 Ų71.333385.1 Ų85.174%0.73548%0.476SS*.THydrogen-bonded Turntrans131.2-2.5174.800000116E3431 A3432 S3436E3431-G3434 PolarHBondContact O-N 3.03Å; A3432-G3434 VanDerWaalsContact C-N 3.34Å; A3432-G3434 PolarHBondContact O-N 3.2Å; A3432-G3434 VanDerWaalsContact O-N 3.13Å; G3434-S3436 VanDerWaalsContact C-N 3.32Å; G3434-S3436 PolarHBondContact O-N 2.95Å
3435L48.3Very low63Low86 Ų8683.2 Ų83.245%0.4546%0.464SS..  trans-82.8106-177.1-69.5165.1000111.7S3430 A3432 S3433 L3437 M3456 T3459 F3460S3430-L3435 PolarHBondContact OG-O 3.32Å; A3432-L3435 HydrophobicContact CB-CB 4.38Å; A3432-L3435 HydrophobicContact CB-CD1 4.04Å; A3432-L3435 HydrophobicContact CB-CG 4.27Å; A3432-L3435 PolarHBondContact O-N 3.28Å; S3433-L3435 PolarHBondContact O-N 2.67Å; L3435-L3437 PolarHBondContact O-N 3.04Å; L3435-M3456 HydrophobicContact CD1-SD 4.06Å; L3435-T3459 HydrophobicContact CB-CG2 3.81Å; L3435-T3459 HydrophobicContact CD1-CG2 3.92Å; L3435-T3459 HydrophobicContact CG-CG2 4.27Å; L3435-F3460 HydrophobicContact CD1-CD1 4.4Å; L3435-F3460 HydrophobicContact CD1-CE1 4.29Å
3436S50Low62.7Low112.667 Ų112.66783.3 Ų83.379%0.78847%0.465SS*.  trans-72.993175.11760000111.4G3434 K3438G3434-S3436 VanDerWaalsContact C-N 3.32Å; G3434-S3436 PolarHBondContact O-N 2.95Å; S3436-K3438 PolarHBondContact O-N 3.43Å; S3436-K3438 VanDerWaalsContact O-N 3.14Å
3437L52.1Low62.2Low63.6667 Ų63.666786.4 Ų86.433%0.33348%0.48SS..  trans-68.1121.3172.1-65.5173.3000110.3S3430 L3435 A3439 F3442 K3451 Q3452 T3455 M3456 K3458 T3459S3430-L3437 WeakPolarHBondContact OG-CD1 3.24Å; L3435-L3437 PolarHBondContact O-N 3.04Å; L3437-A3439 PolarHBondContact O-N 2.81Å; L3437-F3442 HydrophobicContact CD1-CE2 4.48Å; L3437-F3442 HydrophobicContact CD1-CZ 4.07Å; L3437-F3442 HydrophobicContact CD2-CE2 4.3Å; L3437-K3451 HydrophobicContact CD1-CB 3.78Å; L3437-Q3452 HydrophobicContact CD1-CG 3.95Å; L3437-T3455 HydrophobicContact CB-CG2 4.32Å; L3437-T3455 HydrophobicContact CD1-CG2 3.82Å; L3437-T3455 HydrophobicContact CD2-CG2 4.14Å; L3437-T3455 WeakPolarHBondContact CD2-OG1 3.34Å; L3437-T3455 HydrophobicContact CG-CG2 4.19Å; L3437-M3456 HydrophobicContact CD1-SD 3.5Å; L3437-M3456 WeakPolarHBondContact CD1-SD 3.48Å; L3437-M3456 HydrophobicContact CD2-CG 4.49Å; L3437-M3456 HydrophobicContact CD2-SD 3.47Å; L3437-M3456 WeakPolarHBondContact CD2-SD 3.33Å; L3437-M3456 HydrophobicContact CG-SD 4.08Å; L3437-K3458 HydrophobicContact CD1-CD 4.17Å; L3437-T3459 HydrophobicContact CD2-CG2 4.41Å
3438K55.1Low61.7Low160.667 Ų160.66786.9 Ų86.970%0.69949%0.491SS*.  trans-75.5135.4170.6-67.8-177.5-179.5178.40109S3436 Q3440 D3441S3436-K3438 PolarHBondContact O-N 3.43Å; S3436-K3438 VanDerWaalsContact O-N 3.14Å; K3438-Q3440 WeakPolarHBondContact O-CG 3.42Å; K3438-Q3440 PolarHBondContact O-N 3.03Å; K3438-D3441 WeakPolarHBondContact O-CB 3.42Å; K3438-D3441 PolarHBondContact O-N 2.74Å
3439A51.7Low61.8Low93.6667 Ų93.666786.3 Ų86.377%0.77449%0.489SS*.  trans-61.623.4-17900000113.6L3437L3437-A3439 PolarHBondContact O-N 2.81Å
3440Q57.6Low62.3Low143 Ų14383 Ų8367%0.66847%0.472SS*.  trans-100.412-177.3-68-179-17.100113.2K3438 F3442K3438-Q3440 WeakPolarHBondContact O-CG 3.42Å; K3438-Q3440 PolarHBondContact O-N 3.03Å; Q3440-F3442 HydrophobicContact CB-CE2 4.33Å; Q3440-F3442 HydrophobicContact CB-CZ 4.12Å; Q3440-F3442 WeakPolarHBondContact O-CD2 3.38Å; Q3440-F3442 VanDerWaalsContact O-CE2 3.22Å; Q3440-F3442 WeakPolarHBondContact O-CE2 3.39Å; Q3440-F3442 PolarHBondContact O-N 3.04Å
3441D66Low63.3Low108 Ų10883.4 Ų83.458%0.57847%0.466SS*.G310 helixtrans-81.820.1-176-8313.2000113.8K3438 K3458K3438-D3441 WeakPolarHBondContact O-CB 3.42Å; K3438-D3441 PolarHBondContact O-N 2.74Å; D3441-K3458 IonicContact OD2-NZ 3.71Å; D3441-K3458 PolarHBondContact OD2-NZ 3.17Å
3442F73.5Confident64.4Low25.3333 Ų25.333381.4 Ų81.411%0.11146%0.457CS..SBendtrans-125.6151.7-174.1-58.4-72.7000111.7L3437 Q3440 E3444 K3451 L3454 T3455 K3458 Y3465L3437-F3442 HydrophobicContact CD1-CE2 4.48Å; L3437-F3442 HydrophobicContact CD1-CZ 4.07Å; L3437-F3442 HydrophobicContact CD2-CE2 4.3Å; Q3440-F3442 HydrophobicContact CB-CE2 4.33Å; Q3440-F3442 HydrophobicContact CB-CZ 4.12Å; Q3440-F3442 WeakPolarHBondContact O-CD2 3.38Å; Q3440-F3442 VanDerWaalsContact O-CE2 3.22Å; Q3440-F3442 WeakPolarHBondContact O-CE2 3.39Å; Q3440-F3442 PolarHBondContact O-N 3.04Å; F3442-E3444 PolarHBondContact O-N 3.36Å; F3442-K3451 HydrophobicContact CB-CG 4.34Å; F3442-K3451 HydrophobicContact CD2-CB 4.36Å; F3442-K3451 HydrophobicContact CD2-CD 4.45Å; F3442-K3451 HydrophobicContact CD2-CG 4.29Å; F3442-K3451 HydrophobicContact CG-CG 4.32Å; F3442-L3454 HydrophobicContact CD1-CB 4Å; F3442-L3454 HydrophobicContact CD1-CD1 4.2Å; F3442-L3454 HydrophobicContact CE1-CB 3.71Å; F3442-L3454 HydrophobicContact CE2-CB 4.31Å; F3442-L3454 HydrophobicContact CG-CB 4.47Å; F3442-L3454 HydrophobicContact CG-CD1 4.23Å; F3442-L3454 HydrophobicContact CZ-CB 4.06Å; F3442-T3455 VanDerWaalsContact CE2-OG1 3.31Å; F3442-T3455 WeakPolarHBondContact CE2-OG1 2.93Å; F3442-T3455 VanDerWaalsContact CZ-OG1 3.31Å; F3442-T3455 WeakPolarHBondContact CZ-OG1 3.27Å; F3442-K3458 HydrophobicContact CE1-CD 4.3Å; F3442-K3458 HydrophobicContact CZ-CD 4.36Å; F3442-Y3465 HydrophobicContact CD1-CE2 4.28Å; F3442-Y3465 WeakPolarHBondContact CD1-OH 3.25Å; F3442-Y3465 AromaticContact CE1-CE2 3.77Å; F3442-Y3465 HydrophobicContact CE1-CE2 3.9Å; F3442-Y3465 AromaticContact CE1-CZ 3.99Å
3443P73.2Confident65.9Low32.3333 Ų32.333379.8 Ų79.821%0.2144%0.444CS..  trans-58.5139.8179.7-2232.4000112.8W3445 T3446 L3470P3443-W3445 VanDerWaalsContact CB-CD1 3.47Å; P3443-W3445 HydrophobicContact CB-CG 4.42Å; P3443-W3445 PolarHBondContact O-N 3.11Å; P3443-W3445 VanDerWaalsContact O-N 3.11Å; P3443-T3446 HydrophobicContact CB-CG2 4.34Å; P3443-T3446 HydrophobicContact CG-CG2 4.39Å; P3443-T3446 WeakPolarHBondContact O-CB 3.34Å; P3443-T3446 PolarHBondContact O-N 3.03Å; P3443-T3446 VanDerWaalsContact O-N 3.09Å; P3443-T3446 PolarHBondContact O-OG1 3.12Å; P3443-L3470 HydrophobicContact CG-CB 4.02Å; P3443-L3470 VanDerWaalsContact CG-O 3.26Å; P3443-L3470 WeakPolarHBondContact CG-O 3.31Å
3444E71.5Confident67.6Low198 Ų19875.6 Ų75.693%0.92541%0.414SS*.THydrogen-bonded Turntrans-59.8-23.8-175.6-101.9-178.8-178.100114.3F3442 T3446F3442-E3444 PolarHBondContact O-N 3.36Å; E3444-T3446 VanDerWaalsContact C-N 3.27Å; E3444-T3446 PolarHBondContact O-N 2.86Å
3445W80.5Confident69.1Low47 Ų4773.3 Ų73.318%0.17839%0.386CS..THydrogen-bonded Turntrans-74.2-15.1177.572-95.6000113.8P3443 L3470 K3473 W3476 M3480 L3509P3443-W3445 VanDerWaalsContact CB-CD1 3.47Å; P3443-W3445 HydrophobicContact CB-CG 4.42Å; P3443-W3445 PolarHBondContact O-N 3.11Å; P3443-W3445 VanDerWaalsContact O-N 3.11Å; W3445-L3470 HydrophobicContact CH2-CD2 4.37Å; W3445-L3470 HydrophobicContact CZ2-CB 4.43Å; W3445-L3470 HydrophobicContact CZ2-CD2 4.16Å; W3445-L3470 PolarHBondContact NE1-O 3.12Å; W3445-K3473 HydrophobicContact CB-CD 3.83Å; W3445-K3473 HydrophobicContact CB-CG 4.22Å; W3445-K3473 HydrophobicContact CD2-CG 4.28Å; W3445-K3473 HydrophobicContact CG-CB 4.3Å; W3445-K3473 HydrophobicContact CG-CD 4.08Å; W3445-K3473 HydrophobicContact CG-CG 3.94Å; W3445-W3476 HydrophobicContact CH2-CB 3.64Å; W3445-W3476 HydrophobicContact CH2-CD2 4.29Å; W3445-W3476 AromaticContact CH2-CG 3.72Å; W3445-W3476 HydrophobicContact CH2-CG 3.72Å; W3445-W3476 HydrophobicContact CZ2-CB 4.04Å; W3445-W3476 AromaticContact CZ2-CD1 3.84Å; W3445-W3476 AromaticContact CZ2-CG 3.92Å; W3445-W3476 HydrophobicContact CZ2-CG 3.92Å; W3445-W3476 HydrophobicContact CZ3-CB 4.15Å; W3445-M3480 HydrophobicContact CZ3-CG 4.06Å; W3445-M3480 HydrophobicContact CZ3-SD 4.25Å; W3445-L3509 HydrophobicContact CH2-CD2 4.44Å
3446T76.8Confident70.6Confident7 Ų769.8 Ų69.84%0.04337%0.367CS..SBendtrans-77.1128.8-178.759.40000111.3P3443 E3444 K3451 L3454P3443-T3446 HydrophobicContact CB-CG2 4.34Å; P3443-T3446 HydrophobicContact CG-CG2 4.39Å; P3443-T3446 WeakPolarHBondContact O-CB 3.34Å; P3443-T3446 PolarHBondContact O-N 3.03Å; P3443-T3446 VanDerWaalsContact O-N 3.09Å; P3443-T3446 PolarHBondContact O-OG1 3.12Å; E3444-T3446 VanDerWaalsContact C-N 3.27Å; E3444-T3446 PolarHBondContact O-N 2.86Å; T3446-K3451 WeakPolarHBondContact O-CE 3.44Å; T3446-K3451 VanDerWaalsContact OG1-CE 3.3Å; T3446-K3451 WeakPolarHBondContact OG1-CE 3.27Å; T3446-L3454 HydrophobicContact CG2-CD1 4.02Å
3447E75.1Confident72.2Confident95.6667 Ų95.666764.4 Ų64.445%0.44733%0.33SS..  trans-65.5152.6-178.3-70.3-136.9173.800112.5Y3449 S3450 K3451E3447-Y3449 VanDerWaalsContact C-N 3.28Å; E3447-Y3449 HydrophobicContact CB-CD1 3.77Å; E3447-Y3449 HydrophobicContact CB-CE1 3.4Å; E3447-Y3449 VanDerWaalsContact CB-CE1 3.42Å; E3447-Y3449 HydrophobicContact CB-CE2 4.38Å; E3447-Y3449 HydrophobicContact CB-CG 4.41Å; E3447-Y3449 HydrophobicContact CG-CD1 4.42Å; E3447-Y3449 HydrophobicContact CG-CE1 3.9Å; E3447-Y3449 PolarHBondContact O-N 3.19Å; E3447-Y3449 PolarHBondContact OE1-OH 3.04Å; E3447-Y3449 WeakPolarHBondContact OE2-CE1 3.43Å; E3447-Y3449 PolarHBondContact OE2-OH 3.28Å; E3447-S3450 PolarHBondContact N-OG 3.31Å; E3447-S3450 WeakPolarHBondContact O-CB 3.23Å; E3447-S3450 PolarHBondContact O-N 2.99Å; E3447-S3450 VanDerWaalsContact O-N 3.13Å; E3447-S3450 PolarHBondContact O-OG 2.86Å; E3447-K3451 PolarHBondContact O-N 2.84Å
3448S71.9Confident73.7Confident93 Ų9364.7 Ų64.765%0.6533%0.328SS*.THydrogen-bonded Turntrans-58.2-36.9-174.852.40000113.5S3450 K3451S3448-S3450 VanDerWaalsContact C-N 3.25Å; S3448-S3450 PolarHBondContact O-N 3.14Å; S3448-K3451 PolarHBondContact O-N 3.2Å
3449Y74.6Confident75Confident77 Ų7760.1 Ų60.130%0.30231%0.314SS..THydrogen-bonded Turntrans-68.8-28.5177.766.1-101.4000112.9E3447 K3451 Q3452 L3509 Q3511E3447-Y3449 VanDerWaalsContact C-N 3.28Å; E3447-Y3449 HydrophobicContact CB-CD1 3.77Å; E3447-Y3449 HydrophobicContact CB-CE1 3.4Å; E3447-Y3449 VanDerWaalsContact CB-CE1 3.42Å; E3447-Y3449 HydrophobicContact CB-CE2 4.38Å; E3447-Y3449 HydrophobicContact CB-CG 4.41Å; E3447-Y3449 HydrophobicContact CG-CD1 4.42Å; E3447-Y3449 HydrophobicContact CG-CE1 3.9Å; E3447-Y3449 PolarHBondContact O-N 3.19Å; E3447-Y3449 PolarHBondContact OE1-OH 3.04Å; E3447-Y3449 WeakPolarHBondContact OE2-CE1 3.43Å; E3447-Y3449 PolarHBondContact OE2-OH 3.28Å; Y3449-K3451 VanDerWaalsContact C-N 3.26Å; Y3449-K3451 PolarHBondContact O-N 3.28Å; Y3449-Q3452 PolarHBondContact O-N 2.97Å; Y3449-L3509 WeakPolarHBondContact CE2-O 3.36Å; Y3449-L3509 PolarHBondContact OH-O 3.13Å; Y3449-Q3511 HydrophobicContact CD2-CG 4.07Å; Y3449-Q3511 HydrophobicContact CE2-CG 4.07Å; Y3449-Q3511 PolarHBondContact O-NE2 3.15Å
3450S77.3Confident76.4Confident2.33333 Ų2.3333357.3 Ų57.32%0.01628%0.284CS..Hα-helixtrans-75-26.3-177.6-180000112.5E3447 S3448 Q3452 G3453 L3454 T3508 L3509E3447-S3450 PolarHBondContact N-OG 3.31Å; E3447-S3450 WeakPolarHBondContact O-CB 3.23Å; E3447-S3450 PolarHBondContact O-N 2.99Å; E3447-S3450 VanDerWaalsContact O-N 3.13Å; E3447-S3450 PolarHBondContact O-OG 2.86Å; S3448-S3450 VanDerWaalsContact C-N 3.25Å; S3448-S3450 PolarHBondContact O-N 3.14Å; S3450-Q3452 VanDerWaalsContact C-N 3.31Å; S3450-Q3452 PolarHBondContact O-N 3.06Å; S3450-G3453 WeakPolarHBondContact O-CA 3.38Å; S3450-G3453 PolarHBondContact O-N 3.07Å; S3450-G3453 VanDerWaalsContact O-N 3.13Å; S3450-L3454 WeakPolarHBondContact O-CB 3.35Å; S3450-L3454 WeakPolarHBondContact O-CG 3.21Å; S3450-L3454 PolarHBondContact O-N 3.01Å; S3450-T3508 WeakPolarHBondContact CA-O 3.34Å; S3450-T3508 VanDerWaalsContact CB-O 3.26Å; S3450-T3508 WeakPolarHBondContact CB-O 3.37Å; S3450-T3508 PolarHBondContact OG-O 2.87Å; S3450-L3509 PolarHBondContact OG-O 3.19Å
3451K77.9Confident77.7Confident71.3333 Ų71.333351.4 Ų51.431%0.3126%0.257SS..Hα-helixtrans-61.7-35-173.4-63.7-175.9-178.4-174.70113.4L3437 F3442 T3446 E3447 S3448 Y3449 L3454 T3455L3437-K3451 HydrophobicContact CD1-CB 3.78Å; F3442-K3451 HydrophobicContact CB-CG 4.34Å; F3442-K3451 HydrophobicContact CD2-CB 4.36Å; F3442-K3451 HydrophobicContact CD2-CD 4.45Å; F3442-K3451 HydrophobicContact CD2-CG 4.29Å; F3442-K3451 HydrophobicContact CG-CG 4.32Å; T3446-K3451 WeakPolarHBondContact O-CE 3.44Å; T3446-K3451 VanDerWaalsContact OG1-CE 3.3Å; T3446-K3451 WeakPolarHBondContact OG1-CE 3.27Å; E3447-K3451 PolarHBondContact O-N 2.84Å; S3448-K3451 PolarHBondContact O-N 3.2Å; Y3449-K3451 VanDerWaalsContact C-N 3.26Å; Y3449-K3451 PolarHBondContact O-N 3.28Å; K3451-L3454 PolarHBondContact O-N 3.01Å; K3451-T3455 WeakPolarHBondContact O-CB 3.33Å; K3451-T3455 PolarHBondContact O-N 3.2Å; K3451-T3455 VanDerWaalsContact O-N 3.1Å; K3451-T3455 PolarHBondContact O-OG1 2.99Å
3452Q75.4Confident78.6Confident98.3333 Ų98.333349.3 Ų49.346%0.4625%0.249SC..Hα-helixtrans-66.7-47175.1-141.7-177.814.200111A3432 L3437 Y3449 S3450 L3454 T3455 M3456A3432-Q3452 HydrophobicContact CB-CB 4.08Å; A3432-Q3452 PolarHBondContact O-OE1 3.13Å; L3437-Q3452 HydrophobicContact CD1-CG 3.95Å; Y3449-Q3452 PolarHBondContact O-N 2.97Å; S3450-Q3452 VanDerWaalsContact C-N 3.31Å; S3450-Q3452 PolarHBondContact O-N 3.06Å; Q3452-L3454 VanDerWaalsContact C-N 3.32Å; Q3452-L3454 PolarHBondContact O-N 3.28Å; Q3452-T3455 WeakPolarHBondContact O-CB 3.31Å; Q3452-T3455 PolarHBondContact O-N 3.25Å; Q3452-M3456 WeakPolarHBondContact O-CG 3.42Å; Q3452-M3456 PolarHBondContact O-N 3.4Å
3453G78.6Confident79.1Confident1.33333 Ų1.3333355.8 Ų55.81%0.01428%0.28CS..Hα-helixtrans-61.9-41.5176.500000112.6S3450 T3455 M3456 L3457S3450-G3453 WeakPolarHBondContact O-CA 3.38Å; S3450-G3453 PolarHBondContact O-N 3.07Å; S3450-G3453 VanDerWaalsContact O-N 3.13Å; G3453-T3455 VanDerWaalsContact C-N 3.32Å; G3453-T3455 PolarHBondContact O-N 3.12Å; G3453-M3456 WeakPolarHBondContact O-CB 3.49Å; G3453-M3456 PolarHBondContact O-N 3.4Å; G3453-L3457 WeakPolarHBondContact O-CB 3.09Å; G3453-L3457 PolarHBondContact O-N 3.13Å
3454L83.4Confident79.7Confident0 Ų054.8 Ų54.80%027%0.273CS..Hα-helixtrans-64-35.4175.5-71.1175.2000112.6F3442 T3446 S3450 K3451 Q3452 L3457 K3458 Y3465 L3470 T3508 L3509F3442-L3454 HydrophobicContact CD1-CB 4Å; F3442-L3454 HydrophobicContact CD1-CD1 4.2Å; F3442-L3454 HydrophobicContact CE1-CB 3.71Å; F3442-L3454 HydrophobicContact CE2-CB 4.31Å; F3442-L3454 HydrophobicContact CG-CB 4.47Å; F3442-L3454 HydrophobicContact CG-CD1 4.23Å; F3442-L3454 HydrophobicContact CZ-CB 4.06Å; T3446-L3454 HydrophobicContact CG2-CD1 4.02Å; S3450-L3454 WeakPolarHBondContact O-CB 3.35Å; S3450-L3454 WeakPolarHBondContact O-CG 3.21Å; S3450-L3454 PolarHBondContact O-N 3.01Å; K3451-L3454 PolarHBondContact O-N 3.01Å; Q3452-L3454 VanDerWaalsContact C-N 3.32Å; Q3452-L3454 PolarHBondContact O-N 3.28Å; L3454-L3457 HydrophobicContact CD2-CD1 4.45Å; L3454-L3457 HydrophobicContact CD2-CD2 4.4Å; L3454-L3457 PolarHBondContact O-N 2.99Å; L3454-K3458 VanDerWaalsContact O-CB 3.28Å; L3454-K3458 WeakPolarHBondContact O-CB 3.38Å; L3454-K3458 PolarHBondContact O-N 3.11Å; L3454-Y3465 HydrophobicContact CB-CE2 4.38Å; L3454-Y3465 HydrophobicContact CD2-CE2 4.4Å; L3454-L3470 HydrophobicContact CD1-CD1 4.28Å; L3454-L3470 HydrophobicContact CD2-CD1 3.58Å; L3454-T3508 HydrophobicContact CB-CG2 4.36Å; L3454-T3508 HydrophobicContact CD2-CG2 3.68Å; L3454-T3508 HydrophobicContact CG-CG2 3.73Å; L3454-T3508 VanDerWaalsContact N-CG2 3.32Å; L3454-L3509 HydrophobicContact CD1-CD2 4.24Å; L3454-L3509 HydrophobicContact CD2-CD2 4.15Å; L3454-L3509 HydrophobicContact CG-CD2 4.49Å
3455T80.9Confident80.4Confident23.6667 Ų23.666746.8 Ų46.815%0.14523%0.234CC..Hα-helixtrans-63.5-44.3173.9-570000111.1L3437 F3442 K3451 Q3452 G3453 K3458 T3459L3437-T3455 HydrophobicContact CB-CG2 4.32Å; L3437-T3455 HydrophobicContact CD1-CG2 3.82Å; L3437-T3455 HydrophobicContact CD2-CG2 4.14Å; L3437-T3455 WeakPolarHBondContact CD2-OG1 3.34Å; L3437-T3455 HydrophobicContact CG-CG2 4.19Å; F3442-T3455 VanDerWaalsContact CE2-OG1 3.31Å; F3442-T3455 WeakPolarHBondContact CE2-OG1 2.93Å; F3442-T3455 VanDerWaalsContact CZ-OG1 3.31Å; F3442-T3455 WeakPolarHBondContact CZ-OG1 3.27Å; K3451-T3455 WeakPolarHBondContact O-CB 3.33Å; K3451-T3455 PolarHBondContact O-N 3.2Å; K3451-T3455 VanDerWaalsContact O-N 3.1Å; K3451-T3455 PolarHBondContact O-OG1 2.99Å; Q3452-T3455 WeakPolarHBondContact O-CB 3.31Å; Q3452-T3455 PolarHBondContact O-N 3.25Å; G3453-T3455 VanDerWaalsContact C-N 3.32Å; G3453-T3455 PolarHBondContact O-N 3.12Å; T3455-K3458 PolarHBondContact O-N 3.08Å; T3455-T3459 WeakPolarHBondContact O-CB 3.35Å; T3455-T3459 PolarHBondContact O-N 2.9Å; T3455-T3459 VanDerWaalsContact O-N 3.08Å; T3455-T3459 PolarHBondContact O-OG1 3.2Å; T3455-T3459 VanDerWaalsContact O-OG1 3.08Å
3456M79.4Confident80.6Confident11.6667 Ų11.666750.3 Ų50.36%0.05726%0.256CS..Hα-helixtrans-63.1-47.1175.7-63.5-62.2-79.800111R3428 I3429 A3432 L3435 L3437 Q3452 G3453 K3458 T3459 F3460R3428-M3456 HydrophobicContact CB-CE 3.98Å; R3428-M3456 HydrophobicContact CG-CE 4.36Å; I3429-M3456 HydrophobicContact CG1-CB 4.37Å; A3432-M3456 HydrophobicContact CB-CG 3.89Å; A3432-M3456 HydrophobicContact CB-SD 4.21Å; L3435-M3456 HydrophobicContact CD1-SD 4.06Å; L3437-M3456 HydrophobicContact CD1-SD 3.5Å; L3437-M3456 WeakPolarHBondContact CD1-SD 3.48Å; L3437-M3456 HydrophobicContact CD2-CG 4.49Å; L3437-M3456 HydrophobicContact CD2-SD 3.47Å; L3437-M3456 WeakPolarHBondContact CD2-SD 3.33Å; L3437-M3456 HydrophobicContact CG-SD 4.08Å; Q3452-M3456 WeakPolarHBondContact O-CG 3.42Å; Q3452-M3456 PolarHBondContact O-N 3.4Å; G3453-M3456 WeakPolarHBondContact O-CB 3.49Å; G3453-M3456 PolarHBondContact O-N 3.4Å; M3456-K3458 VanDerWaalsContact C-N 3.27Å; M3456-K3458 PolarHBondContact O-N 3.08Å; M3456-T3459 PolarHBondContact O-N 3.27Å; M3456-T3459 VanDerWaalsContact O-N 3.08Å; M3456-F3460 HydrophobicContact CB-CD2 4.37Å; M3456-F3460 HydrophobicContact CE-CD2 3.84Å; M3456-F3460 HydrophobicContact CE-CE2 3.47Å; M3456-F3460 VanDerWaalsContact CE-CE2 3.42Å; M3456-F3460 HydrophobicContact CE-CZ 4.16Å; M3456-F3460 WeakPolarHBondContact O-CB 3.3Å; M3456-F3460 VanDerWaalsContact O-CD2 3.28Å; M3456-F3460 WeakPolarHBondContact O-CD2 3.36Å; M3456-F3460 PolarHBondContact O-N 3.14Å; M3456-F3460 HydrophobicContact SD-CD2 4.18Å; M3456-F3460 HydrophobicContact SD-CE2 3.92Å
3457L84.2Confident81Confident0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-58.5-45177.7-135.9138.3000111.8G3453 L3454 T3459 L3461 L3464 Y3465 L3468 L3504 T3508G3453-L3457 WeakPolarHBondContact O-CB 3.09Å; G3453-L3457 PolarHBondContact O-N 3.13Å; L3454-L3457 HydrophobicContact CD2-CD1 4.45Å; L3454-L3457 HydrophobicContact CD2-CD2 4.4Å; L3454-L3457 PolarHBondContact O-N 2.99Å; L3457-T3459 PolarHBondContact O-N 3.02Å; L3457-L3461 HydrophobicContact CD1-CB 4.42Å; L3457-L3461 HydrophobicContact CD1-CD1 4.08Å; L3457-L3461 HydrophobicContact CD2-CD1 3.97Å; L3457-L3461 CarbonylContact O-C 3.38Å; L3457-L3461 VanDerWaalsContact O-CA 3.26Å; L3457-L3461 WeakPolarHBondContact O-CA 3.42Å; L3457-L3461 WeakPolarHBondContact O-CB 3.47Å; L3457-L3461 PolarHBondContact O-N 3.1Å; L3457-L3461 VanDerWaalsContact O-O 3.11Å; L3457-L3464 HydrophobicContact CD1-CD2 4.12Å; L3457-L3464 HydrophobicContact CD2-CB 4.22Å; L3457-L3464 HydrophobicContact CD2-CD2 4.07Å; L3457-L3464 HydrophobicContact CD2-CG 4.05Å; L3457-L3464 HydrophobicContact CG-CD2 4.23Å; L3457-Y3465 HydrophobicContact CB-CD2 4.19Å; L3457-Y3465 HydrophobicContact CD2-CD2 4.22Å; L3457-Y3465 HydrophobicContact CD2-CG 4.45Å; L3457-L3468 HydrophobicContact CD1-CD1 4.33Å; L3457-L3468 HydrophobicContact CD2-CD1 3.88Å; L3457-L3504 HydrophobicContact CD2-CB 4.48Å; L3457-T3508 HydrophobicContact CB-CG2 4.23Å; L3457-T3508 HydrophobicContact CD1-CG2 4.22Å; L3457-T3508 HydrophobicContact CD2-CG2 4.42Å; L3457-T3508 HydrophobicContact CG-CG2 4.05Å
3458K83.5Confident81.4Confident69 Ų6948.1 Ų48.130%0.325%0.252SS..Hα-helixtrans-63.7-33177.1-171.3175179.2-177.10113L3437 D3441 F3442 L3454 T3455 M3456 P3462 Y3465L3437-K3458 HydrophobicContact CD1-CD 4.17Å; D3441-K3458 IonicContact OD2-NZ 3.71Å; D3441-K3458 PolarHBondContact OD2-NZ 3.17Å; F3442-K3458 HydrophobicContact CE1-CD 4.3Å; F3442-K3458 HydrophobicContact CZ-CD 4.36Å; L3454-K3458 VanDerWaalsContact O-CB 3.28Å; L3454-K3458 WeakPolarHBondContact O-CB 3.38Å; L3454-K3458 PolarHBondContact O-N 3.11Å; T3455-K3458 PolarHBondContact O-N 3.08Å; M3456-K3458 VanDerWaalsContact C-N 3.27Å; M3456-K3458 PolarHBondContact O-N 3.08Å; K3458-P3462 WeakPolarHBondContact O-CA 3.36Å; K3458-Y3465 HydrophobicContact CB-CD1 4.26Å; K3458-Y3465 HydrophobicContact CB-CD2 3.78Å; K3458-Y3465 HydrophobicContact CB-CE1 4.41Å; K3458-Y3465 HydrophobicContact CB-CE2 4.1Å; K3458-Y3465 HydrophobicContact CB-CG 3.87Å; K3458-Y3465 HydrophobicContact CD-CD1 3.75Å; K3458-Y3465 HydrophobicContact CD-CD2 4.23Å; K3458-Y3465 HydrophobicContact CD-CE1 3.96Å; K3458-Y3465 HydrophobicContact CD-CE2 4.02Å; K3458-Y3465 HydrophobicContact CD-CG 4.1Å; K3458-Y3465 HydrophobicContact CG-CD1 3.96Å; K3458-Y3465 HydrophobicContact CG-CD2 4.35Å; K3458-Y3465 HydrophobicContact CG-CE1 4.13Å; K3458-Y3465 HydrophobicContact CG-CE2 4.44Å; K3458-Y3465 HydrophobicContact CG-CG 4.09Å
3459T81.7Confident81.9Confident64.6667 Ų64.666747.5 Ų47.540%0.39724%0.242SC..Hα-helixtrans-80.7-48.1-178.1-59.10000112.3L3435 L3437 T3455 M3456 L3457L3435-T3459 HydrophobicContact CB-CG2 3.81Å; L3435-T3459 HydrophobicContact CD1-CG2 3.92Å; L3435-T3459 HydrophobicContact CG-CG2 4.27Å; L3437-T3459 HydrophobicContact CD2-CG2 4.41Å; T3455-T3459 WeakPolarHBondContact O-CB 3.35Å; T3455-T3459 PolarHBondContact O-N 2.9Å; T3455-T3459 VanDerWaalsContact O-N 3.08Å; T3455-T3459 PolarHBondContact O-OG1 3.2Å; T3455-T3459 VanDerWaalsContact O-OG1 3.08Å; M3456-T3459 PolarHBondContact O-N 3.27Å; M3456-T3459 VanDerWaalsContact O-N 3.08Å; L3457-T3459 PolarHBondContact O-N 3.02Å
3460F80.9Confident82.2Confident35.3333 Ų35.333344.3 Ų44.316%0.15523%0.229CC..Hα-helixtrans-90.9-30-173.6-70.7-80.3000113.3N3421 E3424 C3425 S3433 L3435 M3456N3421-F3460 HydrophobicContact CB-CB 4.23Å; N3421-F3460 HydrophobicContact CB-CD1 4.29Å; N3421-F3460 PolarHBondContact ND2-O 3.29Å; E3424-F3460 HydrophobicContact CB-CE1 4.45Å; C3425-F3460 HydrophobicContact CB-CB 4.14Å; C3425-F3460 HydrophobicContact CB-CD2 4.49Å; C3425-F3460 HydrophobicContact CB-CG 4.36Å; S3433-F3460 VanDerWaalsContact CB-CE1 3.45Å; S3433-F3460 WeakPolarHBondContact OG-CE1 3.24Å; S3433-F3460 WeakPolarHBondContact OG-CZ 3.29Å; L3435-F3460 HydrophobicContact CD1-CD1 4.4Å; L3435-F3460 HydrophobicContact CD1-CE1 4.29Å; M3456-F3460 HydrophobicContact CB-CD2 4.37Å; M3456-F3460 HydrophobicContact CE-CD2 3.84Å; M3456-F3460 HydrophobicContact CE-CE2 3.47Å; M3456-F3460 VanDerWaalsContact CE-CE2 3.42Å; M3456-F3460 HydrophobicContact CE-CZ 4.16Å; M3456-F3460 WeakPolarHBondContact O-CB 3.3Å; M3456-F3460 VanDerWaalsContact O-CD2 3.28Å; M3456-F3460 WeakPolarHBondContact O-CD2 3.36Å; M3456-F3460 PolarHBondContact O-N 3.14Å; M3456-F3460 HydrophobicContact SD-CD2 4.18Å; M3456-F3460 HydrophobicContact SD-CE2 3.92Å
3461L85.8Confident82.3Confident18.3333 Ų18.333348.2 Ų48.210%0.09626%0.262CS..  trans-13461.1-174.6-58.9172.9000111.1N3421 E3422 C3425 L3457 E3463 L3464 Y3465 L3504N3421-L3461 HydrophobicContact CB-CD2 4.42Å; E3422-L3461 HydrophobicContact CB-CD1 4.5Å; E3422-L3461 HydrophobicContact CG-CD1 4Å; E3422-L3461 HydrophobicContact CG-CD2 3.76Å; C3425-L3461 HydrophobicContact CB-CD1 4.21Å; C3425-L3461 HydrophobicContact CB-CG 4.49Å; L3457-L3461 HydrophobicContact CD1-CB 4.42Å; L3457-L3461 HydrophobicContact CD1-CD1 4.08Å; L3457-L3461 HydrophobicContact CD2-CD1 3.97Å; L3457-L3461 CarbonylContact O-C 3.38Å; L3457-L3461 VanDerWaalsContact O-CA 3.26Å; L3457-L3461 WeakPolarHBondContact O-CA 3.42Å; L3457-L3461 WeakPolarHBondContact O-CB 3.47Å; L3457-L3461 PolarHBondContact O-N 3.1Å; L3457-L3461 VanDerWaalsContact O-O 3.11Å; L3461-E3463 VanDerWaalsContact C-N 3.27Å; L3461-E3463 PolarHBondContact O-N 2.88Å; L3461-L3464 HydrophobicContact CB-CB 4.04Å; L3461-L3464 HydrophobicContact CD1-CD2 4.08Å; L3461-L3464 WeakPolarHBondContact O-CB 3.4Å; L3461-L3464 PolarHBondContact O-N 2.88Å; L3461-L3464 VanDerWaalsContact O-N 3.11Å; L3461-Y3465 PolarHBondContact O-N 3.06Å; L3461-L3504 HydrophobicContact CD1-CD1 3.66Å
3462P84.3Confident82.4Confident64.6667 Ų64.666747.4 Ų47.442%0.4226%0.261SS..Hα-helixtrans-60.9-33.8-174.624.4-34.4000113.2K3458 Y3465 N3466K3458-P3462 WeakPolarHBondContact O-CA 3.36Å; P3462-Y3465 PolarHBondContact O-N 3.32Å; P3462-N3466 WeakPolarHBondContact O-CB 3.39Å; P3462-N3466 PolarHBondContact O-N 2.92Å; P3462-N3466 PolarHBondContact O-ND2 3.2Å
3463E84.9Confident82.6Confident162 Ų16248 Ų4876%0.75726%0.262SS*.Hα-helixtrans-61.8-46.3175.6-63.7-175.7170.900111.9L3461 N3466 S3467L3461-E3463 VanDerWaalsContact C-N 3.27Å; L3461-E3463 PolarHBondContact O-N 2.88Å; E3463-N3466 PolarHBondContact O-N 3.18Å; E3463-S3467 PolarHBondContact O-N 3.22Å; E3463-S3467 VanDerWaalsContact O-N 3.08Å
3464L85.5Confident82.7Confident9.66667 Ų9.6666752.1 Ų52.15%0.05129%0.29CS..Hα-helixtrans-63.6-48.4176.8-178.662.9000109.9L3457 L3461 N3466 S3467 L3468 T3497 Q3501L3457-L3464 HydrophobicContact CD1-CD2 4.12Å; L3457-L3464 HydrophobicContact CD2-CB 4.22Å; L3457-L3464 HydrophobicContact CD2-CD2 4.07Å; L3457-L3464 HydrophobicContact CD2-CG 4.05Å; L3457-L3464 HydrophobicContact CG-CD2 4.23Å; L3461-L3464 HydrophobicContact CB-CB 4.04Å; L3461-L3464 HydrophobicContact CD1-CD2 4.08Å; L3461-L3464 WeakPolarHBondContact O-CB 3.4Å; L3461-L3464 PolarHBondContact O-N 2.88Å; L3461-L3464 VanDerWaalsContact O-N 3.11Å; L3464-N3466 VanDerWaalsContact C-N 3.3Å; L3464-N3466 PolarHBondContact O-N 2.93Å; L3464-S3467 WeakPolarHBondContact O-CB 3.44Å; L3464-S3467 PolarHBondContact O-N 3.19Å; L3464-S3467 PolarHBondContact O-OG 3.33Å; L3464-L3468 WeakPolarHBondContact O-CG 3.32Å; L3464-L3468 PolarHBondContact O-N 3.08Å; L3464-T3497 HydrophobicContact CD1-CG2 3.89Å; L3464-Q3501 HydrophobicContact CD1-CB 4.18Å; L3464-Q3501 HydrophobicContact CD1-CG 4.36Å; L3464-Q3501 HydrophobicContact CD2-CB 4.1Å; L3464-Q3501 HydrophobicContact CD2-CG 4Å
3465Y85.6Confident82.6Confident30.6667 Ų30.666754.9 Ų54.912%0.1230%0.304CS..Hα-helixtrans-54.1-46.4178.2-180-90.6000112.2F3442 L3454 L3457 K3458 L3461 P3462 S3467 L3468 L3470F3442-Y3465 HydrophobicContact CD1-CE2 4.28Å; F3442-Y3465 WeakPolarHBondContact CD1-OH 3.25Å; F3442-Y3465 AromaticContact CE1-CE2 3.77Å; F3442-Y3465 HydrophobicContact CE1-CE2 3.9Å; F3442-Y3465 AromaticContact CE1-CZ 3.99Å; L3454-Y3465 HydrophobicContact CB-CE2 4.38Å; L3454-Y3465 HydrophobicContact CD2-CE2 4.4Å; L3457-Y3465 HydrophobicContact CB-CD2 4.19Å; L3457-Y3465 HydrophobicContact CD2-CD2 4.22Å; L3457-Y3465 HydrophobicContact CD2-CG 4.45Å; K3458-Y3465 HydrophobicContact CB-CD1 4.26Å; K3458-Y3465 HydrophobicContact CB-CD2 3.78Å; K3458-Y3465 HydrophobicContact CB-CE1 4.41Å; K3458-Y3465 HydrophobicContact CB-CE2 4.1Å; K3458-Y3465 HydrophobicContact CB-CG 3.87Å; K3458-Y3465 HydrophobicContact CD-CD1 3.75Å; K3458-Y3465 HydrophobicContact CD-CD2 4.23Å; K3458-Y3465 HydrophobicContact CD-CE1 3.96Å; K3458-Y3465 HydrophobicContact CD-CE2 4.02Å; K3458-Y3465 HydrophobicContact CD-CG 4.1Å; K3458-Y3465 HydrophobicContact CG-CD1 3.96Å; K3458-Y3465 HydrophobicContact CG-CD2 4.35Å; K3458-Y3465 HydrophobicContact CG-CE1 4.13Å; K3458-Y3465 HydrophobicContact CG-CE2 4.44Å; K3458-Y3465 HydrophobicContact CG-CG 4.09Å; L3461-Y3465 PolarHBondContact O-N 3.06Å; P3462-Y3465 PolarHBondContact O-N 3.32Å; Y3465-S3467 VanDerWaalsContact C-N 3.31Å; Y3465-S3467 PolarHBondContact O-N 3.1Å; Y3465-L3468 WeakPolarHBondContact O-CB 3.45Å; Y3465-L3468 PolarHBondContact O-N 2.96Å; Y3465-L3470 HydrophobicContact CD2-CD1 4.44Å; Y3465-L3470 HydrophobicContact CE2-CD1 3.89Å
3466N85.5Confident82.8Confident119.667 Ų119.66753.8 Ų53.864%0.6430%0.297SS*.Hα-helixtrans-66-33.4179.1-69.1-24.7000112.4P3462 E3463 L3464 L3468P3462-N3466 WeakPolarHBondContact O-CB 3.39Å; P3462-N3466 PolarHBondContact O-N 2.92Å; P3462-N3466 PolarHBondContact O-ND2 3.2Å; E3463-N3466 PolarHBondContact O-N 3.18Å; L3464-N3466 VanDerWaalsContact C-N 3.3Å; L3464-N3466 PolarHBondContact O-N 2.93Å; N3466-L3468 VanDerWaalsContact C-N 3.27Å; N3466-L3468 PolarHBondContact O-N 3.3Å
3467S84.5Confident82.9Confident56.6667 Ų56.666756.5 Ų56.540%0.39631%0.311SS..Hα-helixtrans-69.9-19.917875.40000114.4E3463 L3464 Y3465 D3469 L3493E3463-S3467 PolarHBondContact O-N 3.22Å; E3463-S3467 VanDerWaalsContact O-N 3.08Å; L3464-S3467 WeakPolarHBondContact O-CB 3.44Å; L3464-S3467 PolarHBondContact O-N 3.19Å; L3464-S3467 PolarHBondContact O-OG 3.33Å; Y3465-S3467 VanDerWaalsContact C-N 3.31Å; Y3465-S3467 PolarHBondContact O-N 3.1Å; S3467-D3469 VanDerWaalsContact C-N 3.28Å; S3467-D3469 PolarHBondContact O-N 3.11Å; S3467-L3493 WeakPolarHBondContact O-CD2 3.37Å
3468L82.7Confident82.9Confident1.33333 Ų1.3333364.2 Ų64.21%0.00734%0.341CS..THydrogen-bonded Turntrans-74.4-17-176-65.4175.8000114.3L3457 L3464 Y3465 N3466 L3470 W3476 L3493 I3505L3457-L3468 HydrophobicContact CD1-CD1 4.33Å; L3457-L3468 HydrophobicContact CD2-CD1 3.88Å; L3464-L3468 WeakPolarHBondContact O-CG 3.32Å; L3464-L3468 PolarHBondContact O-N 3.08Å; Y3465-L3468 WeakPolarHBondContact O-CB 3.45Å; Y3465-L3468 PolarHBondContact O-N 2.96Å; N3466-L3468 VanDerWaalsContact C-N 3.27Å; N3466-L3468 PolarHBondContact O-N 3.3Å; L3468-L3470 VanDerWaalsContact C-N 3.29Å; L3468-L3470 HydrophobicContact CB-CD1 4.48Å; L3468-L3470 HydrophobicContact CB-CD2 4.06Å; L3468-L3470 HydrophobicContact CB-CG 3.95Å; L3468-L3470 HydrophobicContact CD1-CD1 4.35Å; L3468-L3470 HydrophobicContact CD1-CD2 4.28Å; L3468-L3470 HydrophobicContact CD1-CG 4.45Å; L3468-L3470 PolarHBondContact O-N 2.95Å; L3468-L3470 VanDerWaalsContact O-N 3.16Å; L3468-W3476 HydrophobicContact CB-CZ2 4.2Å; L3468-W3476 HydrophobicContact CD2-CH2 4.13Å; L3468-W3476 HydrophobicContact CD2-CZ2 4.16Å; L3468-W3476 WeakPolarHBondContact O-CZ2 3.4Å; L3468-W3476 PolarHBondContact O-NE1 2.89Å; L3468-W3476 VanDerWaalsContact O-NE1 3.09Å; L3468-L3493 HydrophobicContact CD2-CD1 4Å; L3468-L3493 HydrophobicContact CD2-CD2 4.06Å; L3468-I3505 HydrophobicContact CD1-CG1 4.41Å; L3468-I3505 HydrophobicContact CD2-CD1 3.53Å; L3468-I3505 HydrophobicContact CD2-CG1 3.74Å
3469D83.7Confident83Confident80.3333 Ų80.333361 Ų6143%0.4333%0.326SS..  trans41.153.2-177-170.722.8000113.4S3467 A3471 N3472S3467-D3469 VanDerWaalsContact C-N 3.28Å; S3467-D3469 PolarHBondContact O-N 3.11Å; D3469-A3471 PolarHBondContact O-N 3.03Å; D3469-N3472 PolarHBondContact O-N 3Å; D3469-N3472 VanDerWaalsContact OD2-CB 3.29Å; D3469-N3472 WeakPolarHBondContact OD2-CB 3.41Å
3470L81.5Confident83Confident9 Ų960.1 Ų60.15%0.04732%0.318CS..THydrogen-bonded Turntrans-62.8-11.5-175.9-62.7172.9000113.5P3443 W3445 L3454 Y3465 L3468 N3472 W3476 L3509P3443-L3470 HydrophobicContact CG-CB 4.02Å; P3443-L3470 VanDerWaalsContact CG-O 3.26Å; P3443-L3470 WeakPolarHBondContact CG-O 3.31Å; W3445-L3470 HydrophobicContact CH2-CD2 4.37Å; W3445-L3470 HydrophobicContact CZ2-CB 4.43Å; W3445-L3470 HydrophobicContact CZ2-CD2 4.16Å; W3445-L3470 PolarHBondContact NE1-O 3.12Å; L3454-L3470 HydrophobicContact CD1-CD1 4.28Å; L3454-L3470 HydrophobicContact CD2-CD1 3.58Å; Y3465-L3470 HydrophobicContact CD2-CD1 4.44Å; Y3465-L3470 HydrophobicContact CE2-CD1 3.89Å; L3468-L3470 VanDerWaalsContact C-N 3.29Å; L3468-L3470 HydrophobicContact CB-CD1 4.48Å; L3468-L3470 HydrophobicContact CB-CD2 4.06Å; L3468-L3470 HydrophobicContact CB-CG 3.95Å; L3468-L3470 HydrophobicContact CD1-CD1 4.35Å; L3468-L3470 HydrophobicContact CD1-CD2 4.28Å; L3468-L3470 HydrophobicContact CD1-CG 4.45Å; L3468-L3470 PolarHBondContact O-N 2.95Å; L3468-L3470 VanDerWaalsContact O-N 3.16Å; L3470-N3472 VanDerWaalsContact C-N 3.27Å; L3470-N3472 PolarHBondContact O-N 3.07Å; L3470-W3476 HydrophobicContact CD2-CZ2 4.02Å; L3470-L3509 HydrophobicContact CD2-CD1 4.48Å; L3470-L3509 HydrophobicContact CD2-CD2 4.4Å
3471A78.2Confident83Confident84.6667 Ų84.666766 Ų6670%0.735%0.347SS*.THydrogen-bonded Turntrans-65-30.817100000111.8D3469 K3473D3469-A3471 PolarHBondContact O-N 3.03Å; A3471-K3473 PolarHBondContact O-N 3.08Å; A3471-K3473 VanDerWaalsContact O-N 3.13Å
3472N81.2Confident82.8Confident54 Ų5466 Ų6629%0.28935%0.349SS..  trans-84.878.8-179.1-168-11000112.6D3469 L3470 S3474 Q3475D3469-N3472 PolarHBondContact O-N 3Å; D3469-N3472 VanDerWaalsContact OD2-CB 3.29Å; D3469-N3472 WeakPolarHBondContact OD2-CB 3.41Å; L3470-N3472 VanDerWaalsContact C-N 3.27Å; L3470-N3472 PolarHBondContact O-N 3.07Å; N3472-S3474 PolarHBondContact O-N 3.05Å; N3472-S3474 VanDerWaalsContact O-N 3.1Å; N3472-S3474 PolarHBondContact OD1-N 3.18Å; N3472-S3474 PolarHBondContact OD1-OG 2.99Å; N3472-Q3475 HydrophobicContact CB-CG 4.33Å; N3472-Q3475 PolarHBondContact ND2-NE2 2.94Å; N3472-Q3475 VanDerWaalsContact ND2-NE2 3.12Å; N3472-Q3475 WeakPolarHBondContact O-CB 3.43Å; N3472-Q3475 PolarHBondContact O-N 3.17Å; N3472-Q3475 VanDerWaalsContact O-N 3.15Å
3473K77.9Confident82.6Confident111.667 Ų111.66767.9 Ų67.949%0.48636%0.359SS..Hα-helixtrans-50.8-35.7178.6-174.4178.8-178.3177.30113.7W3445 A3471 Q3475 W3476 N3477W3445-K3473 HydrophobicContact CB-CD 3.83Å; W3445-K3473 HydrophobicContact CB-CG 4.22Å; W3445-K3473 HydrophobicContact CD2-CG 4.28Å; W3445-K3473 HydrophobicContact CG-CB 4.3Å; W3445-K3473 HydrophobicContact CG-CD 4.08Å; W3445-K3473 HydrophobicContact CG-CG 3.94Å; A3471-K3473 PolarHBondContact O-N 3.08Å; A3471-K3473 VanDerWaalsContact O-N 3.13Å; K3473-Q3475 VanDerWaalsContact C-N 3.26Å; K3473-Q3475 PolarHBondContact O-N 3.22Å; K3473-W3476 PolarHBondContact O-N 2.99Å; K3473-W3476 VanDerWaalsContact O-N 3.12Å; K3473-N3477 PolarHBondContact O-N 2.84Å; K3473-N3477 PolarHBondContact O-OD1 3.01Å
3474S80.8Confident82.4Confident86.6667 Ų86.666762 Ų6261%0.60634%0.338SS*.Hα-helixtrans-61.9-30.8-174.773.60000113.6N3472 W3476N3472-S3474 PolarHBondContact O-N 3.05Å; N3472-S3474 VanDerWaalsContact O-N 3.1Å; N3472-S3474 PolarHBondContact OD1-N 3.18Å; N3472-S3474 PolarHBondContact OD1-OG 2.99Å; S3474-W3476 VanDerWaalsContact C-N 3.33Å
3475Q81.4Confident82.2Confident59 Ų5961.5 Ų61.528%0.27634%0.336SS..Hα-helixtrans-72-27.8178.3-95.1179.94.600112.6N3472 K3473 P3490N3472-Q3475 HydrophobicContact CB-CG 4.33Å; N3472-Q3475 PolarHBondContact ND2-NE2 2.94Å; N3472-Q3475 VanDerWaalsContact ND2-NE2 3.12Å; N3472-Q3475 WeakPolarHBondContact O-CB 3.43Å; N3472-Q3475 PolarHBondContact O-N 3.17Å; N3472-Q3475 VanDerWaalsContact O-N 3.15Å; K3473-Q3475 VanDerWaalsContact C-N 3.26Å; K3473-Q3475 PolarHBondContact O-N 3.22Å; Q3475-P3490 HydrophobicContact CG-CB 3.8Å; Q3475-P3490 HydrophobicContact CG-CG 3.75Å
3476W84.6Confident82Confident1 Ų160.7 Ų60.70%0.00433%0.333CS..Hα-helixtrans-96.6-17.4-172.1-68.3100.7000114.1W3445 L3468 L3470 K3473 S3474 R3478 F3479 M3480 L3489 P3490 L3493 I3505 L3509W3445-W3476 HydrophobicContact CH2-CB 3.64Å; W3445-W3476 HydrophobicContact CH2-CD2 4.29Å; W3445-W3476 AromaticContact CH2-CG 3.72Å; W3445-W3476 HydrophobicContact CH2-CG 3.72Å; W3445-W3476 HydrophobicContact CZ2-CB 4.04Å; W3445-W3476 AromaticContact CZ2-CD1 3.84Å; W3445-W3476 AromaticContact CZ2-CG 3.92Å; W3445-W3476 HydrophobicContact CZ2-CG 3.92Å; W3445-W3476 HydrophobicContact CZ3-CB 4.15Å; L3468-W3476 HydrophobicContact CB-CZ2 4.2Å; L3468-W3476 HydrophobicContact CD2-CH2 4.13Å; L3468-W3476 HydrophobicContact CD2-CZ2 4.16Å; L3468-W3476 WeakPolarHBondContact O-CZ2 3.4Å; L3468-W3476 PolarHBondContact O-NE1 2.89Å; L3468-W3476 VanDerWaalsContact O-NE1 3.09Å; L3470-W3476 HydrophobicContact CD2-CZ2 4.02Å; K3473-W3476 PolarHBondContact O-N 2.99Å; K3473-W3476 VanDerWaalsContact O-N 3.12Å; S3474-W3476 VanDerWaalsContact C-N 3.33Å; W3476-R3478 VanDerWaalsContact C-N 3.34Å; W3476-R3478 PolarHBondContact O-N 3.19Å; W3476-F3479 HydrophobicContact CE3-CB 4.17Å; W3476-F3479 AromaticContact CE3-CD1 3.76Å; W3476-F3479 HydrophobicContact CE3-CD1 3.76Å; W3476-F3479 HydrophobicContact CE3-CE1 4.36Å; W3476-F3479 AromaticContact CE3-CG 3.96Å; W3476-F3479 HydrophobicContact CE3-CG 4Å; W3476-F3479 AromaticContact CZ3-CD1 3.93Å; W3476-F3479 HydrophobicContact CZ3-CD1 4.04Å; W3476-F3479 HydrophobicContact CZ3-CD2 4.46Å; W3476-F3479 HydrophobicContact CZ3-CE1 4.28Å; W3476-F3479 HydrophobicContact CZ3-CG 4.18Å; W3476-F3479 WeakPolarHBondContact O-CB 3.29Å; W3476-F3479 PolarHBondContact O-N 3.02Å; W3476-F3479 VanDerWaalsContact O-N 3.12Å; W3476-M3480 WeakPolarHBondContact O-CG 3.32Å; W3476-M3480 PolarHBondContact O-N 3Å; W3476-L3489 HydrophobicContact CZ3-CD2 4.39Å; W3476-P3490 HydrophobicContact CH2-CG 4.48Å; W3476-P3490 HydrophobicContact CZ3-CG 4.45Å; W3476-L3493 HydrophobicContact CH2-CD1 3.68Å; W3476-L3493 HydrophobicContact CZ2-CD1 3.59Å; W3476-I3505 HydrophobicContact CH2-CG2 3.84Å; W3476-I3505 HydrophobicContact CZ3-CG2 3.94Å; W3476-L3509 HydrophobicContact CD2-CD1 4.4Å; W3476-L3509 HydrophobicContact CE3-CD1 3.76Å; W3476-L3509 HydrophobicContact CH2-CD1 3.92Å; W3476-L3509 HydrophobicContact CZ2-CD1 4.49Å; W3476-L3509 HydrophobicContact CZ3-CD1 3.49Å; W3476-L3509 VanDerWaalsContact CZ3-CD1 3.46Å
3477N82.7Confident81.8Confident67.6667 Ų67.666759.2 Ų59.236%0.36233%0.325SS..Hα-helixtrans-53.2-48.5-179.7-73.5-16.8000112.5K3473 F3479 M3480 E3481K3473-N3477 PolarHBondContact O-N 2.84Å; K3473-N3477 PolarHBondContact O-OD1 3.01Å; N3477-F3479 VanDerWaalsContact C-N 3.33Å; N3477-F3479 PolarHBondContact O-N 3.28Å; N3477-M3480 PolarHBondContact O-N 2.81Å; N3477-M3480 VanDerWaalsContact O-N 3.16Å; N3477-E3481 WeakPolarHBondContact O-CB 3.39Å; N3477-E3481 WeakPolarHBondContact O-CG 3.24Å; N3477-E3481 PolarHBondContact O-N 3.24Å
3478R83.3Confident81.7Confident163 Ų16359.8 Ų59.862%0.61532%0.321SS*.Hα-helixtrans-63.1-37.8179.6-176.8172.7171.5140.31.7112.5W3476 A3482 E3488W3476-R3478 VanDerWaalsContact C-N 3.34Å; W3476-R3478 PolarHBondContact O-N 3.19Å; R3478-A3482 VanDerWaalsContact O-CB 3.22Å; R3478-A3482 WeakPolarHBondContact O-CB 3.34Å; R3478-A3482 PolarHBondContact O-N 3.25Å; R3478-A3482 VanDerWaalsContact O-N 3.12Å; R3478-E3488 IonicContact CZ-OE1 3.32Å; R3478-E3488 IonicContact CZ-OE2 3.31Å; R3478-E3488 VanDerWaalsContact CZ-OE2 3.3Å; R3478-E3488 VanDerWaalsContact NE-CD 3.32Å; R3478-E3488 IonicContact NE-OE1 3.13Å; R3478-E3488 PolarHBondContact NE-OE1 3.45Å; R3478-E3488 IonicContact NE-OE2 2.77Å; R3478-E3488 PolarHBondContact NE-OE2 3.27Å; R3478-E3488 VanDerWaalsContact NH2-CD 3.33Å; R3478-E3488 IonicContact NH2-OE1 3.05Å; R3478-E3488 PolarHBondContact NH2-OE1 3.18Å; R3478-E3488 IonicContact NH2-OE2 3.4Å; R3478-E3488 PolarHBondContact NH2-OE2 2.9Å; R3478-E3488 VanDerWaalsContact NH2-OE2 3.11Å
3479F85.7Confident81.7Confident0.333333 Ų0.33333360.2 Ų60.20%0.00132%0.324CS..Hα-helixtrans-67.3-41.6175.5171.9-90.7000111.8W3476 N3477 C3485 L3489 I3505 V3506 L3509 R3510W3476-F3479 HydrophobicContact CE3-CB 4.17Å; W3476-F3479 AromaticContact CE3-CD1 3.76Å; W3476-F3479 HydrophobicContact CE3-CD1 3.76Å; W3476-F3479 HydrophobicContact CE3-CE1 4.36Å; W3476-F3479 AromaticContact CE3-CG 3.96Å; W3476-F3479 HydrophobicContact CE3-CG 4Å; W3476-F3479 AromaticContact CZ3-CD1 3.93Å; W3476-F3479 HydrophobicContact CZ3-CD1 4.04Å; W3476-F3479 HydrophobicContact CZ3-CD2 4.46Å; W3476-F3479 HydrophobicContact CZ3-CE1 4.28Å; W3476-F3479 HydrophobicContact CZ3-CG 4.18Å; W3476-F3479 WeakPolarHBondContact O-CB 3.29Å; W3476-F3479 PolarHBondContact O-N 3.02Å; W3476-F3479 VanDerWaalsContact O-N 3.12Å; N3477-F3479 VanDerWaalsContact C-N 3.33Å; N3477-F3479 PolarHBondContact O-N 3.28Å; F3479-C3485 HydrophobicContact CD2-CB 3.78Å; F3479-C3485 VanDerWaalsContact CD2-O 3.26Å; F3479-C3485 WeakPolarHBondContact CD2-O 3.45Å; F3479-C3485 HydrophobicContact CE1-CB 4.46Å; F3479-C3485 HydrophobicContact CE2-CB 3.66Å; F3479-C3485 VanDerWaalsContact CE2-O 3.28Å; F3479-C3485 WeakPolarHBondContact CE2-O 3.43Å; F3479-C3485 HydrophobicContact CG-CB 4.24Å; F3479-C3485 HydrophobicContact CZ-CB 4.03Å; F3479-C3485 VanDerWaalsContact O-CB 3.22Å; F3479-C3485 WeakPolarHBondContact O-CB 3.38Å; F3479-L3489 HydrophobicContact CD2-CD2 4.01Å; F3479-L3489 HydrophobicContact CD2-CG 4.25Å; F3479-L3489 HydrophobicContact CE2-CD2 3.7Å; F3479-L3489 VanDerWaalsContact CE2-CD2 3.43Å; F3479-L3489 HydrophobicContact CE2-CG 4.06Å; F3479-L3489 HydrophobicContact CZ-CD2 4.33Å; F3479-I3505 HydrophobicContact CZ-CG2 4.36Å; F3479-V3506 HydrophobicContact CE2-CG2 4.19Å; F3479-V3506 HydrophobicContact CZ-CG2 4.12Å; F3479-L3509 HydrophobicContact CE1-CB 3.95Å; F3479-L3509 HydrophobicContact CE1-CD1 4.11Å; F3479-R3510 HydrophobicContact CD1-CG 4.4Å; F3479-R3510 HydrophobicContact CE1-CB 4.44Å; F3479-R3510 HydrophobicContact CE1-CG 3.86Å; F3479-R3510 HydrophobicContact CZ-CB 4.36Å; F3479-R3510 HydrophobicContact CZ-CG 4.17Å; F3479-R3510 PolarHBondContact O-NH1 3.42Å
3480M81.9Confident81.6Confident47 Ų4757 Ų5723%0.23231%0.307CS..Hα-helixtrans-70.1-37.8-179.9-68.4-59.3-68.100112.5W3445 W3476 N3477 R3510W3445-M3480 HydrophobicContact CZ3-CG 4.06Å; W3445-M3480 HydrophobicContact CZ3-SD 4.25Å; W3476-M3480 WeakPolarHBondContact O-CG 3.32Å; W3476-M3480 PolarHBondContact O-N 3Å; N3477-M3480 PolarHBondContact O-N 2.81Å; N3477-M3480 VanDerWaalsContact O-N 3.16Å; M3480-R3510 HydrophobicContact CE-CG 4.44Å; M3480-R3510 PolarHBondContact O-NH1 3.4Å; M3480-R3510 HydrophobicContact SD-CG 4.07Å
3481E81.7Confident81.5Confident159.333 Ų159.33360.3 Ų60.375%0.74534%0.336SS*.Hα-helixtrans-80.1-23.1179.5-69.3173.7-176.400113.5N3477 V3483N3477-E3481 WeakPolarHBondContact O-CB 3.39Å; N3477-E3481 WeakPolarHBondContact O-CG 3.24Å; N3477-E3481 PolarHBondContact O-N 3.24Å; E3481-V3483 PolarHBondContact O-N 2.87Å
3482A81.6Confident81.4Confident18.3333 Ų18.333362.6 Ų62.615%0.15233%0.332CS..  trans-66.2135.6-177.100000112.8R3478 A3484 C3485 E3488 R3510R3478-A3482 VanDerWaalsContact O-CB 3.22Å; R3478-A3482 WeakPolarHBondContact O-CB 3.34Å; R3478-A3482 PolarHBondContact O-N 3.25Å; R3478-A3482 VanDerWaalsContact O-N 3.12Å; A3482-A3484 VanDerWaalsContact C-N 3.29Å; A3482-A3484 PolarHBondContact O-N 2.67Å; A3482-C3485 HydrophobicContact CB-CB 4.34Å; A3482-E3488 HydrophobicContact CB-CB 4.08Å; A3482-E3488 HydrophobicContact CB-CG 4.05Å; A3482-R3510 PolarHBondContact O-NH1 3.36Å; A3482-R3510 VanDerWaalsContact O-NH1 3.1Å
3483V78.5Confident81.3Confident104.333 Ų104.33360.3 Ų60.363%0.63232%0.32SS*.THydrogen-bonded Turntrans-67.4-33.4171.7-179.30000111.2E3481 R3513 P3986E3481-V3483 PolarHBondContact O-N 2.87Å; V3483-R3513 PolarHBondContact O-NE 2.91Å; V3483-R3513 VanDerWaalsContact O-NE 3.1Å; V3483-R3513 PolarHBondContact O-NH1 3.22Å; V3483-R3513 PolarHBondContact O-NH2 3.22Å; V3483-P3986 HydrophobicContact CG2-CG 4.47Å
3484A81Confident81.3Confident37.6667 Ų37.666759.5 Ų59.531%0.31132%0.316SS..THydrogen-bonded Turntrans-114.366.9174.700000110.1A3482 E3486 D3487A3482-A3484 VanDerWaalsContact C-N 3.29Å; A3482-A3484 PolarHBondContact O-N 2.67Å; A3484-E3486 VanDerWaalsContact C-OE2 3.25Å; A3484-E3486 WeakPolarHBondContact CA-OE2 3.32Å; A3484-E3486 PolarHBondContact O-N 3.06Å; A3484-E3486 VanDerWaalsContact O-N 3.16Å; A3484-D3487 PolarHBondContact O-N 2.95Å
3485C81.6Confident81.3Confident0 Ų060.3 Ų60.30%032%0.322CS..THydrogen-bonded Turntrans-59.8-27-176.167.90000113.2F3479 A3482 D3487 E3488 L3489 R3510 R3513F3479-C3485 HydrophobicContact CD2-CB 3.78Å; F3479-C3485 VanDerWaalsContact CD2-O 3.26Å; F3479-C3485 WeakPolarHBondContact CD2-O 3.45Å; F3479-C3485 HydrophobicContact CE1-CB 4.46Å; F3479-C3485 HydrophobicContact CE2-CB 3.66Å; F3479-C3485 VanDerWaalsContact CE2-O 3.28Å; F3479-C3485 WeakPolarHBondContact CE2-O 3.43Å; F3479-C3485 HydrophobicContact CG-CB 4.24Å; F3479-C3485 HydrophobicContact CZ-CB 4.03Å; F3479-C3485 VanDerWaalsContact O-CB 3.22Å; F3479-C3485 WeakPolarHBondContact O-CB 3.38Å; A3482-C3485 HydrophobicContact CB-CB 4.34Å; C3485-D3487 PolarHBondContact O-N 2.99Å; C3485-E3488 CarbonylContact O-C 3.38Å; C3485-E3488 PolarHBondContact O-N 3.27Å; C3485-E3488 VanDerWaalsContact O-N 3.15Å; C3485-L3489 PolarHBondContact O-N 3.13Å; C3485-R3510 HydrophobicContact CB-CG 4.46Å; C3485-R3513 VanDerWaalsContact SG-CB 3.56Å; C3485-R3513 VanDerWaalsContact SG-CG 3.58Å
3486E82.5Confident81.3Confident14 Ų1461.1 Ų61.17%0.06533%0.334CS..THydrogen-bonded Turntrans-59.4-25.5176.659-93-141.500114.1A3484 V3506 R3513 S3516A3484-E3486 VanDerWaalsContact C-OE2 3.25Å; A3484-E3486 WeakPolarHBondContact CA-OE2 3.32Å; A3484-E3486 PolarHBondContact O-N 3.06Å; A3484-E3486 VanDerWaalsContact O-N 3.16Å; E3486-V3506 HydrophobicContact CB-CG2 4.45Å; E3486-R3513 IonicContact OE1-CZ 3.15Å; E3486-R3513 IonicContact OE1-NE 3.82Å; E3486-R3513 IonicContact OE1-NH2 3.71Å; E3486-R3513 PolarHBondContact OE1-NH2 3.02Å; E3486-R3513 IonicContact OE2-CZ 3.48Å; E3486-R3513 IonicContact OE2-NE 3.41Å; E3486-R3513 PolarHBondContact OE2-NE 3.25Å; E3486-R3513 VanDerWaalsContact OE2-NE 3.15Å; E3486-R3513 IonicContact OE2-NH2 2.73Å; E3486-R3513 PolarHBondContact OE2-NH2 2.92Å; E3486-S3516 VanDerWaalsContact OE1-CB 3.24Å; E3486-S3516 WeakPolarHBondContact OE1-CB 3.28Å; E3486-S3516 PolarHBondContact OE1-OG 3.09Å
3487D81.4Confident81.3Confident86.3333 Ų86.333361.7 Ų61.746%0.46234%0.337SS..THydrogen-bonded Turntrans-95.7-15.1177.7-67.3-40.8000112.8A3484 C3485 K3494 K3524A3484-D3487 PolarHBondContact O-N 2.95Å; C3485-D3487 PolarHBondContact O-N 2.99Å; D3487-K3494 PolarHBondContact O-NZ 3.08Å; D3487-K3494 VanDerWaalsContact O-NZ 3.08Å; D3487-K3524 IonicContact OD1-NZ 2.74Å
3488E82.1Confident81.5Confident70 Ų7059.7 Ų59.733%0.32733%0.329SS..  trans-107.624-174.3-69.1-72.8-174.100113.1R3478 A3482 C3485R3478-E3488 IonicContact CZ-OE1 3.32Å; R3478-E3488 IonicContact CZ-OE2 3.31Å; R3478-E3488 VanDerWaalsContact CZ-OE2 3.3Å; R3478-E3488 VanDerWaalsContact NE-CD 3.32Å; R3478-E3488 IonicContact NE-OE1 3.13Å; R3478-E3488 PolarHBondContact NE-OE1 3.45Å; R3478-E3488 IonicContact NE-OE2 2.77Å; R3478-E3488 PolarHBondContact NE-OE2 3.27Å; R3478-E3488 VanDerWaalsContact NH2-CD 3.33Å; R3478-E3488 IonicContact NH2-OE1 3.05Å; R3478-E3488 PolarHBondContact NH2-OE1 3.18Å; R3478-E3488 IonicContact NH2-OE2 3.4Å; R3478-E3488 PolarHBondContact NH2-OE2 2.9Å; R3478-E3488 VanDerWaalsContact NH2-OE2 3.11Å; A3482-E3488 HydrophobicContact CB-CB 4.08Å; A3482-E3488 HydrophobicContact CB-CG 4.05Å; C3485-E3488 CarbonylContact O-C 3.38Å; C3485-E3488 PolarHBondContact O-N 3.27Å; C3485-E3488 VanDerWaalsContact O-N 3.15Å
3489L82.2Confident81.7Confident10.3333 Ų10.333354.8 Ų54.85%0.05432%0.315CS..  trans-59.7142.3169.3-79.6160.7000111.1W3476 F3479 C3485 A3491 K3494 Q3502 I3505W3476-L3489 HydrophobicContact CZ3-CD2 4.39Å; F3479-L3489 HydrophobicContact CD2-CD2 4.01Å; F3479-L3489 HydrophobicContact CD2-CG 4.25Å; F3479-L3489 HydrophobicContact CE2-CD2 3.7Å; F3479-L3489 VanDerWaalsContact CE2-CD2 3.43Å; F3479-L3489 HydrophobicContact CE2-CG 4.06Å; F3479-L3489 HydrophobicContact CZ-CD2 4.33Å; C3485-L3489 PolarHBondContact O-N 3.13Å; L3489-A3491 PolarHBondContact O-N 3.1Å; L3489-K3494 HydrophobicContact CB-CD 4.38Å; L3489-K3494 HydrophobicContact CB-CG 3.82Å; L3489-K3494 WeakPolarHBondContact O-CD 3.16Å; L3489-K3494 WeakPolarHBondContact O-CE 3.44Å; L3489-Q3502 HydrophobicContact CD1-CB 3.81Å; L3489-Q3502 HydrophobicContact CD1-CG 3.88Å; L3489-I3505 HydrophobicContact CD2-CB 4.29Å; L3489-I3505 HydrophobicContact CD2-CD1 4.36Å; L3489-I3505 HydrophobicContact CD2-CG2 3.88Å
3490P82.3Confident81.9Confident13.6667 Ų13.666754.8 Ų54.89%0.08932%0.315CS..  trans-53.2134.7178.8-27.635.5000112.5Q3475 W3476 Q3492 L3493 K3494Q3475-P3490 HydrophobicContact CG-CB 3.8Å; Q3475-P3490 HydrophobicContact CG-CG 3.75Å; W3476-P3490 HydrophobicContact CH2-CG 4.48Å; W3476-P3490 HydrophobicContact CZ3-CG 4.45Å; P3490-Q3492 VanDerWaalsContact C-N 3.3Å; P3490-Q3492 PolarHBondContact O-N 3.3Å; P3490-Q3492 VanDerWaalsContact O-N 3.14Å; P3490-L3493 HydrophobicContact CB-CB 4.43Å; P3490-L3493 HydrophobicContact CB-CD1 4.14Å; P3490-L3493 HydrophobicContact CB-CG 4.42Å; P3490-L3493 HydrophobicContact CG-CD1 4.02Å; P3490-L3493 WeakPolarHBondContact O-CA 3.41Å; P3490-L3493 WeakPolarHBondContact O-CB 3.39Å; P3490-L3493 PolarHBondContact O-N 3.17Å; P3490-K3494 PolarHBondContact O-N 3.33Å
3491A78.5Confident82.3Confident78 Ų7853.3 Ų53.365%0.64531%0.307SS*.Hα-helixtrans-58.4-35.2-170.900000113.4L3489 L3493 S3495L3489-A3491 PolarHBondContact O-N 3.1Å; A3491-L3493 VanDerWaalsContact C-N 3.32Å; A3491-L3493 PolarHBondContact O-N 3.38Å; A3491-S3495 PolarHBondContact O-N 3.17Å; A3491-S3495 PolarHBondContact O-OG 2.9Å
3492Q75.5Confident82.7Confident131.667 Ų131.66746.6 Ų46.662%0.61528%0.276SS*.Hα-helixtrans-64.6-37.2175.3-62.296.7-15.400112.3P3490 S3495 S3496P3490-Q3492 VanDerWaalsContact C-N 3.3Å; P3490-Q3492 PolarHBondContact O-N 3.3Å; P3490-Q3492 VanDerWaalsContact O-N 3.14Å; Q3492-S3495 PolarHBondContact O-N 3.41Å; Q3492-S3495 PolarHBondContact O-OG 3.15Å; Q3492-S3496 PolarHBondContact O-N 2.99Å; Q3492-S3496 PolarHBondContact O-OG 3.22Å
3493L79Confident83.1Confident7.33333 Ų7.3333345.8 Ų45.84%0.03827%0.269CS..Hα-helixtrans-76.7-37.3179-73.3170.4000111.8S3467 L3468 W3476 P3490 A3491 S3495 S3496 T3497S3467-L3493 WeakPolarHBondContact O-CD2 3.37Å; L3468-L3493 HydrophobicContact CD2-CD1 4Å; L3468-L3493 HydrophobicContact CD2-CD2 4.06Å; W3476-L3493 HydrophobicContact CH2-CD1 3.68Å; W3476-L3493 HydrophobicContact CZ2-CD1 3.59Å; P3490-L3493 HydrophobicContact CB-CB 4.43Å; P3490-L3493 HydrophobicContact CB-CD1 4.14Å; P3490-L3493 HydrophobicContact CB-CG 4.42Å; P3490-L3493 HydrophobicContact CG-CD1 4.02Å; P3490-L3493 WeakPolarHBondContact O-CA 3.41Å; P3490-L3493 WeakPolarHBondContact O-CB 3.39Å; P3490-L3493 PolarHBondContact O-N 3.17Å; A3491-L3493 VanDerWaalsContact C-N 3.32Å; A3491-L3493 PolarHBondContact O-N 3.38Å; L3493-S3495 PolarHBondContact O-N 3.16Å; L3493-S3495 VanDerWaalsContact O-N 3.17Å; L3493-S3496 WeakPolarHBondContact CA-OG 3.44Å; L3493-S3496 PolarHBondContact O-N 3.13Å; L3493-S3496 VanDerWaalsContact O-N 3.16Å; L3493-S3496 PolarHBondContact O-OG 3Å; L3493-T3497 HydrophobicContact CB-CG2 4.49Å; L3493-T3497 HydrophobicContact CD2-CG2 4.21Å; L3493-T3497 WeakPolarHBondContact O-CB 3.14Å; L3493-T3497 WeakPolarHBondContact O-CG2 3.42Å; L3493-T3497 PolarHBondContact O-N 3.12Å; L3493-T3497 PolarHBondContact O-OG1 2.89Å
3494K78.6Confident83.6Confident93 Ų9340.9 Ų40.940%0.40424%0.239SC..Hα-helixtrans-59.7-29.5178.9-137.9175.1-177.3169.80113.2D3487 L3489 P3490 Q3502D3487-K3494 PolarHBondContact O-NZ 3.08Å; D3487-K3494 VanDerWaalsContact O-NZ 3.08Å; L3489-K3494 HydrophobicContact CB-CD 4.38Å; L3489-K3494 HydrophobicContact CB-CG 3.82Å; L3489-K3494 WeakPolarHBondContact O-CD 3.16Å; L3489-K3494 WeakPolarHBondContact O-CE 3.44Å; P3490-K3494 PolarHBondContact O-N 3.33Å; K3494-Q3502 PolarHBondContact O-NE2 3.07Å
3495S80.3Confident84Confident104.667 Ų104.66739.1 Ų39.173%0.73223%0.225SC*.Hα-helixtrans-88.6-25.1177.862.40000114.3A3491 Q3492 L3493A3491-S3495 PolarHBondContact O-N 3.17Å; A3491-S3495 PolarHBondContact O-OG 2.9Å; Q3492-S3495 PolarHBondContact O-N 3.41Å; Q3492-S3495 PolarHBondContact O-OG 3.15Å; L3493-S3495 PolarHBondContact O-N 3.16Å; L3493-S3495 VanDerWaalsContact O-N 3.17Å
3496S82.1Confident84.3Confident74.6667 Ų74.666739.2 Ų39.252%0.52223%0.225SC..Hα-helixtrans-95.5-24.3-176.760.30000114Q3492 L3493Q3492-S3496 PolarHBondContact O-N 2.99Å; Q3492-S3496 PolarHBondContact O-OG 3.22Å; L3493-S3496 WeakPolarHBondContact CA-OG 3.44Å; L3493-S3496 PolarHBondContact O-N 3.13Å; L3493-S3496 VanDerWaalsContact O-N 3.16Å; L3493-S3496 PolarHBondContact O-OG 3Å
3497T83.5Confident84.6Confident13.3333 Ų13.333338.8 Ų38.88%0.08222%0.224CC..SBendtrans-98.2145.3-174.359.30000112.9L3464 L3493 Q3501 Q3502 I3505L3464-T3497 HydrophobicContact CD1-CG2 3.89Å; L3493-T3497 HydrophobicContact CB-CG2 4.49Å; L3493-T3497 HydrophobicContact CD2-CG2 4.21Å; L3493-T3497 WeakPolarHBondContact O-CB 3.14Å; L3493-T3497 WeakPolarHBondContact O-CG2 3.42Å; L3493-T3497 PolarHBondContact O-N 3.12Å; L3493-T3497 PolarHBondContact O-OG1 2.89Å; T3497-Q3501 VanDerWaalsContact CA-OE1 3.31Å; T3497-Q3502 PolarHBondContact O-NE2 3.17Å; T3497-Q3502 VanDerWaalsContact O-NE2 3.1Å; T3497-Q3502 VanDerWaalsContact OG1-CG 3.27Å; T3497-Q3502 WeakPolarHBondContact OG1-CG 3.44Å; T3497-Q3502 PolarHBondContact OG1-NE2 2.98Å; T3497-I3505 HydrophobicContact CG2-CD1 4.32Å
3498S87.9Confident84.8Confident27.6667 Ų27.666734.9 Ų34.919%0.19320%0.203CC..  trans-68.2159.717285.70000111.4F3500 Q3501 Q3502S3498-F3500 PolarHBondContact O-N 3.16Å; S3498-F3500 PolarHBondContact OG-N 3.26Å; S3498-Q3501 WeakPolarHBondContact O-CB 3.31Å; S3498-Q3501 PolarHBondContact O-N 3.25Å; S3498-Q3501 VanDerWaalsContact O-N 3.08Å; S3498-Q3501 VanDerWaalsContact OG-CG 3.26Å; S3498-Q3501 WeakPolarHBondContact OG-CG 3.29Å; S3498-Q3501 PolarHBondContact OG-N 2.95Å; S3498-Q3501 VanDerWaalsContact OG-N 3.07Å; S3498-Q3502 WeakPolarHBondContact O-CG 3.41Å; S3498-Q3502 PolarHBondContact O-N 3.15Å
3499L86.9Confident85Confident59.3333 Ų59.333331.7 Ų31.731%0.31119%0.188SC..Hα-helixtrans-56.5-34.3175.3-69176.2000112.6Q3502 L3503 F3521 K3524 V3525L3499-Q3502 WeakPolarHBondContact O-CB 3.22Å; L3499-Q3502 PolarHBondContact O-N 3.19Å; L3499-L3503 PolarHBondContact O-N 3.15Å; L3499-L3503 VanDerWaalsContact O-N 3.17Å; L3499-F3521 HydrophobicContact CB-CD2 3.95Å; L3499-F3521 HydrophobicContact CB-CE2 4.01Å; L3499-K3524 HydrophobicContact CD1-CB 4.13Å; L3499-K3524 HydrophobicContact CD2-CD 4Å; L3499-V3525 HydrophobicContact CD1-CG2 4.42Å
3500F90.4Very high85.1Confident1 Ų132.4 Ų32.40%0.00419%0.19CC..Hα-helixtrans-76.7-34.3177.4-168.3-109.9000112.2F3407 H3417 F3418 E3422 W3423 F3426 S3498 Q3502 L3503 L3504 F3521F3407-F3500 HydrophobicContact CE1-CE2 4.36Å; H3417-F3500 WeakPolarHBondContact O-CB 3.19Å; F3418-F3500 AromaticContact CD1-CD1 3.87Å; F3418-F3500 HydrophobicContact CD1-CD1 3.87Å; F3418-F3500 AromaticContact CD1-CD2 3.89Å; F3418-F3500 HydrophobicContact CD1-CD2 3.89Å; F3418-F3500 AromaticContact CD1-CE1 3.86Å; F3418-F3500 HydrophobicContact CD1-CE1 3.91Å; F3418-F3500 AromaticContact CD1-CE2 3.9Å; F3418-F3500 HydrophobicContact CD1-CE2 3.93Å; F3418-F3500 AromaticContact CD1-CG 3.87Å; F3418-F3500 HydrophobicContact CD1-CG 3.87Å; F3418-F3500 AromaticContact CD1-CZ 3.88Å; F3418-F3500 HydrophobicContact CD1-CZ 3.94Å; F3418-F3500 HydrophobicContact CE1-CD1 4.39Å; F3418-F3500 AromaticContact CE1-CD2 3.56Å; F3418-F3500 HydrophobicContact CE1-CD2 3.56Å; F3418-F3500 HydrophobicContact CE1-CE1 4.39Å; F3418-F3500 AromaticContact CE1-CE2 3.56Å; F3418-F3500 HydrophobicContact CE1-CE2 3.56Å; F3418-F3500 VanDerWaalsContact CE1-CE2 3.48Å; F3418-F3500 AromaticContact CE1-CG 3.95Å; F3418-F3500 HydrophobicContact CE1-CG 4Å; F3418-F3500 AromaticContact CE1-CZ 3.93Å; F3418-F3500 HydrophobicContact CE1-CZ 4Å; E3422-F3500 HydrophobicContact CB-CD1 3.84Å; E3422-F3500 HydrophobicContact CB-CE1 3.77Å; W3423-F3500 HydrophobicContact CE3-CE2 4.28Å; W3423-F3500 AromaticContact CE3-CZ 3.78Å; W3423-F3500 HydrophobicContact CE3-CZ 3.78Å; W3423-F3500 HydrophobicContact CZ3-CE2 4.39Å; W3423-F3500 HydrophobicContact CZ3-CZ 4.25Å; F3426-F3500 HydrophobicContact CB-CE1 4.32Å; F3426-F3500 HydrophobicContact CB-CZ 3.72Å; F3426-F3500 HydrophobicContact CD1-CZ 4.36Å; F3426-F3500 HydrophobicContact CD2-CE2 4.32Å; F3426-F3500 HydrophobicContact CD2-CZ 4.23Å; F3426-F3500 HydrophobicContact CG-CE2 4.41Å; F3426-F3500 AromaticContact CG-CZ 3.82Å; F3426-F3500 HydrophobicContact CG-CZ 3.9Å; S3498-F3500 PolarHBondContact O-N 3.16Å; S3498-F3500 PolarHBondContact OG-N 3.26Å; F3500-Q3502 VanDerWaalsContact C-N 3.32Å; F3500-Q3502 PolarHBondContact O-N 3.2Å; F3500-L3503 HydrophobicContact CD2-CD2 3.93Å; F3500-L3503 HydrophobicContact CE2-CD2 3.82Å; F3500-L3503 VanDerWaalsContact O-CB 3.32Å; F3500-L3503 WeakPolarHBondContact O-CB 3.31Å; F3500-L3503 PolarHBondContact O-N 2.94Å; F3500-L3503 VanDerWaalsContact O-N 3.15Å; F3500-L3504 HydrophobicContact CD1-CD1 4.15Å; F3500-L3504 HydrophobicContact CD1-CG 4.34Å; F3500-L3504 HydrophobicContact CE1-CD1 4.09Å; F3500-L3504 HydrophobicContact CE1-CD2 4.35Å; F3500-L3504 HydrophobicContact CE1-CG 4.19Å; F3500-L3504 WeakPolarHBondContact O-CG 3.35Å; F3500-L3504 PolarHBondContact O-N 3.2Å; F3500-F3521 HydrophobicContact CB-CE2 3.86Å; F3500-F3521 HydrophobicContact CB-CZ 4.31Å; F3500-F3521 HydrophobicContact CD2-CD2 4.47Å; F3500-F3521 HydrophobicContact CD2-CE1 4.26Å; F3500-F3521 AromaticContact CD2-CE2 3.91Å; F3500-F3521 HydrophobicContact CD2-CE2 4.01Å; F3500-F3521 AromaticContact CD2-CZ 3.77Å; F3500-F3521 HydrophobicContact CD2-CZ 3.85Å; F3500-F3521 HydrophobicContact CG-CE2 4.36Å; F3500-F3521 HydrophobicContact CG-CZ 4.45Å
3501Q89.5Confident85Confident13.6667 Ų13.666734.8 Ų34.86%0.06420%0.2CC..Hα-helixtrans-64.7-36.7171.3-69.4172.3-10.300111.9E3422 L3464 T3497 S3498 L3503 L3504 I3505E3422-Q3501 WeakPolarHBondContact OE1-CG 3.29Å; E3422-Q3501 PolarHBondContact OE1-NE2 3.11Å; L3464-Q3501 HydrophobicContact CD1-CB 4.18Å; L3464-Q3501 HydrophobicContact CD1-CG 4.36Å; L3464-Q3501 HydrophobicContact CD2-CB 4.1Å; L3464-Q3501 HydrophobicContact CD2-CG 4Å; T3497-Q3501 VanDerWaalsContact CA-OE1 3.31Å; S3498-Q3501 WeakPolarHBondContact O-CB 3.31Å; S3498-Q3501 PolarHBondContact O-N 3.25Å; S3498-Q3501 VanDerWaalsContact O-N 3.08Å; S3498-Q3501 VanDerWaalsContact OG-CG 3.26Å; S3498-Q3501 WeakPolarHBondContact OG-CG 3.29Å; S3498-Q3501 PolarHBondContact OG-N 2.95Å; S3498-Q3501 VanDerWaalsContact OG-N 3.07Å; Q3501-L3503 VanDerWaalsContact C-N 3.3Å; Q3501-L3503 PolarHBondContact O-N 3.17Å; Q3501-L3504 WeakPolarHBondContact O-CB 3.45Å; Q3501-L3504 PolarHBondContact O-N 3.4Å; Q3501-I3505 VanDerWaalsContact O-CG1 3.28Å; Q3501-I3505 WeakPolarHBondContact O-CG1 3.32Å; Q3501-I3505 PolarHBondContact O-N 3.12Å
3502Q90.2Very high85Confident20.3333 Ų20.333336 Ų3610%0.09520%0.196CC..Hα-helixtrans-60.5-40.6171.7-66.4172.921.900111.4L3489 K3494 T3497 S3498 L3499 F3500 I3505 V3506L3489-Q3502 HydrophobicContact CD1-CB 3.81Å; L3489-Q3502 HydrophobicContact CD1-CG 3.88Å; K3494-Q3502 PolarHBondContact O-NE2 3.07Å; T3497-Q3502 PolarHBondContact O-NE2 3.17Å; T3497-Q3502 VanDerWaalsContact O-NE2 3.1Å; T3497-Q3502 VanDerWaalsContact OG1-CG 3.27Å; T3497-Q3502 WeakPolarHBondContact OG1-CG 3.44Å; T3497-Q3502 PolarHBondContact OG1-NE2 2.98Å; S3498-Q3502 WeakPolarHBondContact O-CG 3.41Å; S3498-Q3502 PolarHBondContact O-N 3.15Å; L3499-Q3502 WeakPolarHBondContact O-CB 3.22Å; L3499-Q3502 PolarHBondContact O-N 3.19Å; F3500-Q3502 VanDerWaalsContact C-N 3.32Å; F3500-Q3502 PolarHBondContact O-N 3.2Å; Q3502-I3505 PolarHBondContact O-N 2.99Å; Q3502-V3506 PolarHBondContact O-N 3.1Å
3503L90.4Very high85.5Confident1 Ų132.3 Ų32.31%0.00518%0.176CC..Hα-helixtrans-63.1-43.5172.6175.863.4000111.9F3407 F3426 L3499 F3500 Q3501 I3505 V3506 A3507 L3514 S3517 M3518 F3521F3407-L3503 HydrophobicContact CE1-CD2 4.18Å; F3407-L3503 HydrophobicContact CZ-CD2 3.96Å; F3426-L3503 HydrophobicContact CE2-CD1 4.43Å; F3426-L3503 HydrophobicContact CE2-CD2 4.07Å; F3426-L3503 HydrophobicContact CE2-CG 4.19Å; L3499-L3503 PolarHBondContact O-N 3.15Å; L3499-L3503 VanDerWaalsContact O-N 3.17Å; F3500-L3503 HydrophobicContact CD2-CD2 3.93Å; F3500-L3503 HydrophobicContact CE2-CD2 3.82Å; F3500-L3503 VanDerWaalsContact O-CB 3.32Å; F3500-L3503 WeakPolarHBondContact O-CB 3.31Å; F3500-L3503 PolarHBondContact O-N 2.94Å; F3500-L3503 VanDerWaalsContact O-N 3.15Å; Q3501-L3503 VanDerWaalsContact C-N 3.3Å; Q3501-L3503 PolarHBondContact O-N 3.17Å; L3503-I3505 VanDerWaalsContact C-N 3.31Å; L3503-I3505 PolarHBondContact O-N 3.22Å; L3503-V3506 PolarHBondContact O-N 3.06Å; L3503-A3507 VanDerWaalsContact O-CB 3.26Å; L3503-A3507 WeakPolarHBondContact O-CB 3.29Å; L3503-A3507 PolarHBondContact O-N 3.23Å; L3503-L3514 HydrophobicContact CD1-CD1 3.92Å; L3503-S3517 VanDerWaalsContact CD1-OG 3.3Å; L3503-S3517 WeakPolarHBondContact CD1-OG 3.3Å; L3503-M3518 HydrophobicContact CD1-CB 4.46Å; L3503-M3518 HydrophobicContact CD1-CG 3.74Å; L3503-M3518 HydrophobicContact CD2-CG 4.25Å; L3503-F3521 HydrophobicContact CD2-CB 4.31Å; L3503-F3521 HydrophobicContact CD2-CD1 4.35Å; L3503-F3521 HydrophobicContact CD2-CG 4.24Å
3504L89.6Confident85.9Confident1.66667 Ų1.6666734.2 Ų34.21%0.00919%0.186CC..Hα-helixtrans-60.3-37.8176-74.2170.9000112.6E3422 F3426 I3429 L3457 L3461 F3500 Q3501 A3507 T3508E3422-L3504 HydrophobicContact CB-CD1 4.15Å; E3422-L3504 HydrophobicContact CG-CD1 4.4Å; F3426-L3504 HydrophobicContact CB-CD2 3.81Å; F3426-L3504 HydrophobicContact CD2-CD2 4.12Å; F3426-L3504 HydrophobicContact CG-CD2 4.45Å; I3429-L3504 HydrophobicContact CD1-CD2 4.04Å; L3457-L3504 HydrophobicContact CD2-CB 4.48Å; L3461-L3504 HydrophobicContact CD1-CD1 3.66Å; F3500-L3504 HydrophobicContact CD1-CD1 4.15Å; F3500-L3504 HydrophobicContact CD1-CG 4.34Å; F3500-L3504 HydrophobicContact CE1-CD1 4.09Å; F3500-L3504 HydrophobicContact CE1-CD2 4.35Å; F3500-L3504 HydrophobicContact CE1-CG 4.19Å; F3500-L3504 WeakPolarHBondContact O-CG 3.35Å; F3500-L3504 PolarHBondContact O-N 3.2Å; Q3501-L3504 WeakPolarHBondContact O-CB 3.45Å; Q3501-L3504 PolarHBondContact O-N 3.4Å; L3504-A3507 PolarHBondContact O-N 3.17Å; L3504-T3508 VanDerWaalsContact O-CB 3.3Å; L3504-T3508 WeakPolarHBondContact O-CB 3.37Å; L3504-T3508 WeakPolarHBondContact O-CG2 3.34Å; L3504-T3508 PolarHBondContact O-N 3.23Å; L3504-T3508 VanDerWaalsContact O-N 3.08Å; L3504-T3508 PolarHBondContact O-OG1 3.26Å
3505I89.2Confident86.3Confident0.333333 Ų0.33333335.1 Ų35.10%0.00220%0.195CC..Hα-helixtrans-63.1-46.8176.2-66.7163.8000110.5L3468 W3476 F3479 L3489 T3497 Q3501 Q3502 L3503 T3508 L3509L3468-I3505 HydrophobicContact CD1-CG1 4.41Å; L3468-I3505 HydrophobicContact CD2-CD1 3.53Å; L3468-I3505 HydrophobicContact CD2-CG1 3.74Å; W3476-I3505 HydrophobicContact CH2-CG2 3.84Å; W3476-I3505 HydrophobicContact CZ3-CG2 3.94Å; F3479-I3505 HydrophobicContact CZ-CG2 4.36Å; L3489-I3505 HydrophobicContact CD2-CB 4.29Å; L3489-I3505 HydrophobicContact CD2-CD1 4.36Å; L3489-I3505 HydrophobicContact CD2-CG2 3.88Å; T3497-I3505 HydrophobicContact CG2-CD1 4.32Å; Q3501-I3505 VanDerWaalsContact O-CG1 3.28Å; Q3501-I3505 WeakPolarHBondContact O-CG1 3.32Å; Q3501-I3505 PolarHBondContact O-N 3.12Å; Q3502-I3505 PolarHBondContact O-N 2.99Å; L3503-I3505 VanDerWaalsContact C-N 3.31Å; L3503-I3505 PolarHBondContact O-N 3.22Å; I3505-T3508 PolarHBondContact O-N 3.13Å; I3505-T3508 VanDerWaalsContact O-N 3.15Å; I3505-T3508 PolarHBondContact O-OG1 3.14Å; I3505-T3508 VanDerWaalsContact O-OG1 3.09Å; I3505-L3509 HydrophobicContact CG2-CD1 3.96Å; I3505-L3509 WeakPolarHBondContact O-CB 3.34Å; I3505-L3509 PolarHBondContact O-N 3.09Å
3506V88.9Confident86.5Confident0.333333 Ų0.33333332 Ų320%0.00217%0.173CC..Hα-helixtrans-64.7-43.8175.7-178.90000110.7F3479 E3486 Q3502 L3503 T3508 L3509 R3510 R3513F3479-V3506 HydrophobicContact CE2-CG2 4.19Å; F3479-V3506 HydrophobicContact CZ-CG2 4.12Å; E3486-V3506 HydrophobicContact CB-CG2 4.45Å; Q3502-V3506 PolarHBondContact O-N 3.1Å; L3503-V3506 PolarHBondContact O-N 3.06Å; V3506-T3508 PolarHBondContact O-N 3.46Å; V3506-T3508 VanDerWaalsContact O-N 3.1Å; V3506-L3509 PolarHBondContact O-N 3.2Å; V3506-R3510 HydrophobicContact CG1-CB 4.32Å; V3506-R3510 WeakPolarHBondContact CG1-O 3.39Å; V3506-R3510 CarbonylContact O-C 3.34Å; V3506-R3510 WeakPolarHBondContact O-CA 3.39Å; V3506-R3510 PolarHBondContact O-N 3.02Å; V3506-R3510 VanDerWaalsContact O-O 3.07Å; V3506-R3513 HydrophobicContact CG1-CB 3.87Å
3507A87.8Confident86.8Confident5.66667 Ų5.6666728.9 Ų28.95%0.04715%0.151CC..Hα-helixtrans-60.6-21177.700000114F3426 R3428 I3429 L3503 L3504 Q3511 L3514F3426-A3507 HydrophobicContact CD2-CB 4.44Å; F3426-A3507 HydrophobicContact CE2-CB 4.37Å; R3428-A3507 PolarHBondContact NH2-O 3.03Å; I3429-A3507 HydrophobicContact CD1-CB 4.39Å; L3503-A3507 VanDerWaalsContact O-CB 3.26Å; L3503-A3507 WeakPolarHBondContact O-CB 3.29Å; L3503-A3507 PolarHBondContact O-N 3.23Å; L3504-A3507 PolarHBondContact O-N 3.17Å; A3507-Q3511 VanDerWaalsContact O-CG 3.26Å; A3507-Q3511 WeakPolarHBondContact O-CG 3.48Å; A3507-L3514 HydrophobicContact CB-CD1 3.72Å
3508T86.3Confident87.2Confident4.33333 Ų4.3333329.5 Ų29.53%0.02715%0.154CC..Hα-helixtrans-97.6-46.6178.920.30000112.4I3429 S3450 L3454 L3457 L3504 I3505 V3506 Q3511I3429-T3508 HydrophobicContact CD1-CG2 3.59Å; I3429-T3508 HydrophobicContact CG1-CG2 4.15Å; S3450-T3508 WeakPolarHBondContact CA-O 3.34Å; S3450-T3508 VanDerWaalsContact CB-O 3.26Å; S3450-T3508 WeakPolarHBondContact CB-O 3.37Å; S3450-T3508 PolarHBondContact OG-O 2.87Å; L3454-T3508 HydrophobicContact CB-CG2 4.36Å; L3454-T3508 HydrophobicContact CD2-CG2 3.68Å; L3454-T3508 HydrophobicContact CG-CG2 3.73Å; L3454-T3508 VanDerWaalsContact N-CG2 3.32Å; L3457-T3508 HydrophobicContact CB-CG2 4.23Å; L3457-T3508 HydrophobicContact CD1-CG2 4.22Å; L3457-T3508 HydrophobicContact CD2-CG2 4.42Å; L3457-T3508 HydrophobicContact CG-CG2 4.05Å; L3504-T3508 VanDerWaalsContact O-CB 3.3Å; L3504-T3508 WeakPolarHBondContact O-CB 3.37Å; L3504-T3508 WeakPolarHBondContact O-CG2 3.34Å; L3504-T3508 PolarHBondContact O-N 3.23Å; L3504-T3508 VanDerWaalsContact O-N 3.08Å; L3504-T3508 PolarHBondContact O-OG1 3.26Å; I3505-T3508 PolarHBondContact O-N 3.13Å; I3505-T3508 VanDerWaalsContact O-N 3.15Å; I3505-T3508 PolarHBondContact O-OG1 3.14Å; I3505-T3508 VanDerWaalsContact O-OG1 3.09Å; V3506-T3508 PolarHBondContact O-N 3.46Å; V3506-T3508 VanDerWaalsContact O-N 3.1Å; T3508-Q3511 PolarHBondContact O-NE2 3.21Å
3509L85.8Confident87.2Confident2.66667 Ų2.6666730 Ų301%0.01415%0.154CC..Hα-helixtrans-89.5-34.4-174.4-64.3177.7000114.1W3445 Y3449 S3450 L3454 L3470 W3476 F3479 I3505 V3506W3445-L3509 HydrophobicContact CH2-CD2 4.44Å; Y3449-L3509 WeakPolarHBondContact CE2-O 3.36Å; Y3449-L3509 PolarHBondContact OH-O 3.13Å; S3450-L3509 PolarHBondContact OG-O 3.19Å; L3454-L3509 HydrophobicContact CD1-CD2 4.24Å; L3454-L3509 HydrophobicContact CD2-CD2 4.15Å; L3454-L3509 HydrophobicContact CG-CD2 4.49Å; L3470-L3509 HydrophobicContact CD2-CD1 4.48Å; L3470-L3509 HydrophobicContact CD2-CD2 4.4Å; W3476-L3509 HydrophobicContact CD2-CD1 4.4Å; W3476-L3509 HydrophobicContact CE3-CD1 3.76Å; W3476-L3509 HydrophobicContact CH2-CD1 3.92Å; W3476-L3509 HydrophobicContact CZ2-CD1 4.49Å; W3476-L3509 HydrophobicContact CZ3-CD1 3.49Å; W3476-L3509 VanDerWaalsContact CZ3-CD1 3.46Å; F3479-L3509 HydrophobicContact CE1-CB 3.95Å; F3479-L3509 HydrophobicContact CE1-CD1 4.11Å; I3505-L3509 HydrophobicContact CG2-CD1 3.96Å; I3505-L3509 WeakPolarHBondContact O-CB 3.34Å; I3505-L3509 PolarHBondContact O-N 3.09Å; V3506-L3509 PolarHBondContact O-N 3.2Å
3510R84.1Confident87.2Confident25.3333 Ų25.333328.3 Ų28.310%0.09615%0.148CC..  trans-136.370.2-173.9-78.6-94.3-27.5-112.9-1.2110.9F3479 M3480 A3482 C3485 V3506 D3512 R3513 L3514F3479-R3510 HydrophobicContact CD1-CG 4.4Å; F3479-R3510 HydrophobicContact CE1-CB 4.44Å; F3479-R3510 HydrophobicContact CE1-CG 3.86Å; F3479-R3510 HydrophobicContact CZ-CB 4.36Å; F3479-R3510 HydrophobicContact CZ-CG 4.17Å; F3479-R3510 PolarHBondContact O-NH1 3.42Å; M3480-R3510 HydrophobicContact CE-CG 4.44Å; M3480-R3510 PolarHBondContact O-NH1 3.4Å; M3480-R3510 HydrophobicContact SD-CG 4.07Å; A3482-R3510 PolarHBondContact O-NH1 3.36Å; A3482-R3510 VanDerWaalsContact O-NH1 3.1Å; C3485-R3510 HydrophobicContact CB-CG 4.46Å; V3506-R3510 HydrophobicContact CG1-CB 4.32Å; V3506-R3510 WeakPolarHBondContact CG1-O 3.39Å; V3506-R3510 CarbonylContact O-C 3.34Å; V3506-R3510 WeakPolarHBondContact O-CA 3.39Å; V3506-R3510 PolarHBondContact O-N 3.02Å; V3506-R3510 VanDerWaalsContact O-O 3.07Å; R3510-D3512 VanDerWaalsContact C-OD1 3.26Å; R3510-D3512 WeakPolarHBondContact CA-OD1 3.48Å; R3510-D3512 VanDerWaalsContact CB-OD1 3.31Å; R3510-D3512 WeakPolarHBondContact CB-OD1 3.49Å; R3510-D3512 IonicContact CZ-OD1 3.47Å; R3510-D3512 IonicContact CZ-OD2 3.3Å; R3510-D3512 IonicContact NE-OD1 3.43Å; R3510-D3512 PolarHBondContact NE-OD1 3.2Å; R3510-D3512 IonicContact NE-OD2 2.95Å; R3510-D3512 PolarHBondContact NE-OD2 3.08Å; R3510-D3512 IonicContact NH2-OD1 3.35Å; R3510-D3512 IonicContact NH2-OD2 3.36Å; R3510-D3512 PolarHBondContact NH2-OD2 3.15Å; R3510-D3512 PolarHBondContact O-N 3.19Å; R3510-R3513 HydrophobicContact CB-CB 4.29Å; R3510-R3513 HydrophobicContact CB-CG 4.35Å; R3510-R3513 VanDerWaalsContact NH2-CG 3.32Å; R3510-R3513 PolarHBondContact O-N 3.1Å; R3510-L3514 PolarHBondContact O-N 3.04Å
3511Q80.7Confident87.2Confident64.6667 Ų64.666728.6 Ų28.630%0.30215%0.149SC..G310 helixtrans-59.9-27.8-177.7-66.7-177.914.600112.6R3428 Y3449 A3507 T3508 R3513 L3514R3428-Q3511 VanDerWaalsContact NH2-CD 3.3Å; Y3449-Q3511 HydrophobicContact CD2-CG 4.07Å; Y3449-Q3511 HydrophobicContact CE2-CG 4.07Å; Y3449-Q3511 PolarHBondContact O-NE2 3.15Å; A3507-Q3511 VanDerWaalsContact O-CG 3.26Å; A3507-Q3511 WeakPolarHBondContact O-CG 3.48Å; T3508-Q3511 PolarHBondContact O-NE2 3.21Å; Q3511-R3513 VanDerWaalsContact C-N 3.3Å; Q3511-R3513 PolarHBondContact O-N 3.22Å; Q3511-L3514 VanDerWaalsContact O-CB 3.25Å; Q3511-L3514 WeakPolarHBondContact O-CB 3.41Å; Q3511-L3514 PolarHBondContact O-N 3.04Å; Q3511-L3514 VanDerWaalsContact O-N 3.14Å
3512D78.7Confident87.3Confident103.333 Ų103.33327.9 Ų27.955%0.55315%0.146SC*.G310 helixtrans-60.9-28.8173.267.1-54.3000113.4R3510R3510-D3512 VanDerWaalsContact C-OD1 3.26Å; R3510-D3512 WeakPolarHBondContact CA-OD1 3.48Å; R3510-D3512 VanDerWaalsContact CB-OD1 3.31Å; R3510-D3512 WeakPolarHBondContact CB-OD1 3.49Å; R3510-D3512 IonicContact CZ-OD1 3.47Å; R3510-D3512 IonicContact CZ-OD2 3.3Å; R3510-D3512 IonicContact NE-OD1 3.43Å; R3510-D3512 PolarHBondContact NE-OD1 3.2Å; R3510-D3512 IonicContact NE-OD2 2.95Å; R3510-D3512 PolarHBondContact NE-OD2 3.08Å; R3510-D3512 IonicContact NH2-OD1 3.35Å; R3510-D3512 IonicContact NH2-OD2 3.36Å; R3510-D3512 PolarHBondContact NH2-OD2 3.15Å; R3510-D3512 PolarHBondContact O-N 3.19Å
3513R85.5Confident87.2Confident54.3333 Ų54.333328.9 Ų28.921%0.20515%0.151CC..G310 helixtrans-972.3179.1-63.9-60.4-60.2177.9-5113.9V3483 C3485 E3486 V3506 R3510 Q3511 L3515 S3516 S3517V3483-R3513 PolarHBondContact O-NE 2.91Å; V3483-R3513 VanDerWaalsContact O-NE 3.1Å; V3483-R3513 PolarHBondContact O-NH1 3.22Å; V3483-R3513 PolarHBondContact O-NH2 3.22Å; C3485-R3513 VanDerWaalsContact SG-CB 3.56Å; C3485-R3513 VanDerWaalsContact SG-CG 3.58Å; E3486-R3513 IonicContact OE1-CZ 3.15Å; E3486-R3513 IonicContact OE1-NE 3.82Å; E3486-R3513 IonicContact OE1-NH2 3.71Å; E3486-R3513 PolarHBondContact OE1-NH2 3.02Å; E3486-R3513 IonicContact OE2-CZ 3.48Å; E3486-R3513 IonicContact OE2-NE 3.41Å; E3486-R3513 PolarHBondContact OE2-NE 3.25Å; E3486-R3513 VanDerWaalsContact OE2-NE 3.15Å; E3486-R3513 IonicContact OE2-NH2 2.73Å; E3486-R3513 PolarHBondContact OE2-NH2 2.92Å; V3506-R3513 HydrophobicContact CG1-CB 3.87Å; R3510-R3513 HydrophobicContact CB-CB 4.29Å; R3510-R3513 HydrophobicContact CB-CG 4.35Å; R3510-R3513 VanDerWaalsContact NH2-CG 3.32Å; R3510-R3513 PolarHBondContact O-N 3.1Å; Q3511-R3513 VanDerWaalsContact C-N 3.3Å; Q3511-R3513 PolarHBondContact O-N 3.22Å; R3513-L3515 VanDerWaalsContact C-N 3.32Å; R3513-L3515 PolarHBondContact O-N 3.08Å; R3513-S3516 PolarHBondContact NH2-OG 2.98Å; R3513-S3516 VanDerWaalsContact NH2-OG 3.11Å; R3513-S3516 PolarHBondContact O-N 3.14Å; R3513-S3516 VanDerWaalsContact O-N 3.12Å; R3513-S3517 PolarHBondContact O-N 3.22Å
3514L87.7Confident87Confident47.3333 Ų47.333333.2 Ų33.225%0.24817%0.17CC..Hα-helixtrans-52.7-48.9-177.3176.758.3000112.2F3426 L3503 A3507 R3510 Q3511 S3516 S3517 M3518F3426-L3514 HydrophobicContact CE2-CD1 4.01Å; F3426-L3514 HydrophobicContact CZ-CD1 4.44Å; L3503-L3514 HydrophobicContact CD1-CD1 3.92Å; A3507-L3514 HydrophobicContact CB-CD1 3.72Å; R3510-L3514 PolarHBondContact O-N 3.04Å; Q3511-L3514 VanDerWaalsContact O-CB 3.25Å; Q3511-L3514 WeakPolarHBondContact O-CB 3.41Å; Q3511-L3514 PolarHBondContact O-N 3.04Å; Q3511-L3514 VanDerWaalsContact O-N 3.14Å; L3514-S3516 VanDerWaalsContact C-N 3.3Å; L3514-S3516 PolarHBondContact O-N 3.21Å; L3514-S3517 PolarHBondContact O-N 3.32Å; L3514-M3518 HydrophobicContact CD1-CG 3.95Å; L3514-M3518 HydrophobicContact CD1-SD 3.99Å; L3514-M3518 HydrophobicContact CD2-SD 4.45Å; L3514-M3518 HydrophobicContact CG-CG 4.32Å; L3514-M3518 HydrophobicContact CG-SD 3.87Å; L3514-M3518 WeakPolarHBondContact O-CB 3.31Å; L3514-M3518 VanDerWaalsContact O-CG 3.27Å; L3514-M3518 WeakPolarHBondContact O-CG 3.38Å; L3514-M3518 PolarHBondContact O-N 3.08Å
3515L85.9Confident86.9Confident112.333 Ų112.33333.9 Ų33.959%0.58817%0.174SC*.Hα-helixtrans-60.8-38.1-179.3-171.771.5000112.6M3403 R3513 N3519M3403-L3515 HydrophobicContact CE-CD1 3.65Å; M3403-L3515 HydrophobicContact CE-CG 4.21Å; M3403-L3515 HydrophobicContact SD-CD1 3.73Å; M3403-L3515 VanDerWaalsContact SD-CD1 3.54Å; R3513-L3515 VanDerWaalsContact C-N 3.32Å; R3513-L3515 PolarHBondContact O-N 3.08Å; L3515-N3519 PolarHBondContact O-N 3.2Å; L3515-N3519 VanDerWaalsContact O-N 3.1Å; L3515-N3519 PolarHBondContact O-ND2 3.25Å
3516S86.1Confident86.6Confident39.3333 Ų39.333334.5 Ų34.528%0.27518%0.177SC..Hα-helixtrans-70.5-42.8177.7-164.30000111.3E3486 R3513 L3514 M3518 N3519 S3520E3486-S3516 VanDerWaalsContact OE1-CB 3.24Å; E3486-S3516 WeakPolarHBondContact OE1-CB 3.28Å; E3486-S3516 PolarHBondContact OE1-OG 3.09Å; R3513-S3516 PolarHBondContact NH2-OG 2.98Å; R3513-S3516 VanDerWaalsContact NH2-OG 3.11Å; R3513-S3516 PolarHBondContact O-N 3.14Å; R3513-S3516 VanDerWaalsContact O-N 3.12Å; L3514-S3516 VanDerWaalsContact C-N 3.3Å; L3514-S3516 PolarHBondContact O-N 3.21Å; S3516-M3518 PolarHBondContact O-N 3.29Å; S3516-N3519 WeakPolarHBondContact O-CB 3.22Å; S3516-N3519 PolarHBondContact O-N 3.18Å; S3516-S3520 WeakPolarHBondContact O-CB 3.43Å; S3516-S3520 PolarHBondContact O-N 3.05Å
3517S88.6Confident86.3Confident8.33333 Ų8.3333337.5 Ų37.56%0.05821%0.209CC..Hα-helixtrans-63-40.7175-170.40000112.1L3503 R3513 L3514 N3519 S3520 F3521L3503-S3517 VanDerWaalsContact CD1-OG 3.3Å; L3503-S3517 WeakPolarHBondContact CD1-OG 3.3Å; R3513-S3517 PolarHBondContact O-N 3.22Å; L3514-S3517 PolarHBondContact O-N 3.32Å; S3517-N3519 PolarHBondContact O-N 3.18Å; S3517-S3520 WeakPolarHBondContact O-CB 3.46Å; S3517-S3520 PolarHBondContact O-N 2.98Å; S3517-F3521 WeakPolarHBondContact O-CB 3.23Å; S3517-F3521 PolarHBondContact O-N 3.29Å
3518M90.2Very high85.9Confident25.6667 Ų25.666742.6 Ų42.613%0.12623%0.227CC..Hα-helixtrans-60.2-44.6173.3-74177.182.300111.6M3403 F3407 F3426 L3503 L3514 S3516 F3521 L3522M3403-M3518 HydrophobicContact CE-CB 3.95Å; M3403-M3518 HydrophobicContact CG-CE 4.04Å; M3403-M3518 HydrophobicContact SD-CB 3.89Å; M3403-M3518 HydrophobicContact SD-CE 3.51Å; M3403-M3518 VanDerWaalsContact SD-CE 3.54Å; M3403-M3518 WeakPolarHBondContact SD-CE 3.43Å; M3403-M3518 HydrophobicContact SD-CG 4.43Å; M3403-M3518 HydrophobicContact SD-SD 3.86Å; F3407-M3518 HydrophobicContact CD2-CE 3.74Å; F3407-M3518 HydrophobicContact CE2-CB 3.92Å; F3407-M3518 HydrophobicContact CE2-CE 3.32Å; F3407-M3518 HydrophobicContact CE2-CG 4.08Å; F3407-M3518 HydrophobicContact CE2-SD 4.47Å; F3407-M3518 HydrophobicContact CG-CE 4.41Å; F3407-M3518 HydrophobicContact CZ-CB 4.14Å; F3407-M3518 HydrophobicContact CZ-CE 3.76Å; F3407-M3518 HydrophobicContact CZ-CG 4.01Å; F3426-M3518 HydrophobicContact CE1-CE 4.47Å; F3426-M3518 HydrophobicContact CZ-CE 3.98Å; F3426-M3518 HydrophobicContact CZ-CG 4.46Å; F3426-M3518 HydrophobicContact CZ-SD 4.15Å; L3503-M3518 HydrophobicContact CD1-CB 4.46Å; L3503-M3518 HydrophobicContact CD1-CG 3.74Å; L3503-M3518 HydrophobicContact CD2-CG 4.25Å; L3514-M3518 HydrophobicContact CD1-CG 3.95Å; L3514-M3518 HydrophobicContact CD1-SD 3.99Å; L3514-M3518 HydrophobicContact CD2-SD 4.45Å; L3514-M3518 HydrophobicContact CG-CG 4.32Å; L3514-M3518 HydrophobicContact CG-SD 3.87Å; L3514-M3518 WeakPolarHBondContact O-CB 3.31Å; L3514-M3518 VanDerWaalsContact O-CG 3.27Å; L3514-M3518 WeakPolarHBondContact O-CG 3.38Å; L3514-M3518 PolarHBondContact O-N 3.08Å; S3516-M3518 PolarHBondContact O-N 3.29Å; M3518-F3521 PolarHBondContact O-N 3.13Å; M3518-L3522 WeakPolarHBondContact O-CB 3.38Å; M3518-L3522 VanDerWaalsContact O-CG 3.31Å; M3518-L3522 WeakPolarHBondContact O-CG 3.33Å; M3518-L3522 PolarHBondContact O-N 2.98Å
3519N88.3Confident85.5Confident39 Ų3951.5 Ų51.521%0.20927%0.268CS..Hα-helixtrans-62.5-43.5174.4-77-52000112.2M3403 L3515 S3516 S3517 L3522 N3523 W3531M3403-N3519 WeakPolarHBondContact CE-ND2 3.48Å; M3403-N3519 WeakPolarHBondContact CE-OD1 3.34Å; L3515-N3519 PolarHBondContact O-N 3.2Å; L3515-N3519 VanDerWaalsContact O-N 3.1Å; L3515-N3519 PolarHBondContact O-ND2 3.25Å; S3516-N3519 WeakPolarHBondContact O-CB 3.22Å; S3516-N3519 PolarHBondContact O-N 3.18Å; S3517-N3519 PolarHBondContact O-N 3.18Å; N3519-L3522 PolarHBondContact O-N 3.06Å; N3519-N3523 VanDerWaalsContact O-CB 3.32Å; N3519-N3523 WeakPolarHBondContact O-CB 3.31Å; N3519-N3523 VanDerWaalsContact O-CG 3.22Å; N3519-N3523 PolarHBondContact O-N 3.26Å; N3519-N3523 PolarHBondContact O-ND2 3.04Å; N3519-W3531 VanDerWaalsContact OD1-CZ2 3.24Å; N3519-W3531 WeakPolarHBondContact OD1-CZ2 3.32Å; N3519-W3531 PolarHBondContact OD1-NE1 3.12Å; N3519-W3531 VanDerWaalsContact OD1-NE1 3.14Å
3520S87.6Confident85.3Confident24.3333 Ų24.333354.1 Ų54.117%0.1729%0.286CS..Hα-helixtrans-61.7-43.1176.8-1700000111.6S3516 S3517 K3524S3516-S3520 WeakPolarHBondContact O-CB 3.43Å; S3516-S3520 PolarHBondContact O-N 3.05Å; S3517-S3520 WeakPolarHBondContact O-CB 3.46Å; S3517-S3520 PolarHBondContact O-N 2.98Å; S3520-K3524 WeakPolarHBondContact O-CB 3.27Å; S3520-K3524 WeakPolarHBondContact O-CD 3.5Å; S3520-K3524 VanDerWaalsContact O-CG 3.25Å; S3520-K3524 WeakPolarHBondContact O-CG 3.38Å; S3520-K3524 PolarHBondContact O-N 3.3Å; S3520-K3524 WeakPolarHBondContact OG-CE 3.35Å; S3520-K3524 PolarHBondContact OG-NZ 3.36Å
3521F90.8Very high85.3Confident6.33333 Ų6.3333353.1 Ų53.13%0.02828%0.282CS..Hα-helixtrans-59.9-53.2174.8172.6-99.2000111.6F3407 V3410 F3418 L3499 F3500 L3503 S3517 M3518 N3523 K3524 V3525F3407-F3521 HydrophobicContact CD1-CE1 4.44Å; F3407-F3521 AromaticContact CE1-CD1 3.81Å; F3407-F3521 HydrophobicContact CE1-CD1 3.81Å; F3407-F3521 AromaticContact CE1-CE1 3.74Å; F3407-F3521 HydrophobicContact CE1-CE1 3.74Å; F3407-F3521 HydrophobicContact CE2-CD1 4.45Å; F3407-F3521 AromaticContact CZ-CD1 3.67Å; F3407-F3521 HydrophobicContact CZ-CD1 3.67Å; F3407-F3521 AromaticContact CZ-CE1 3.97Å; F3407-F3521 HydrophobicContact CZ-CE1 4.1Å; V3410-F3521 HydrophobicContact CG1-CE1 4.3Å; F3418-F3521 HydrophobicContact CE1-CZ 4.29Å; F3418-F3521 HydrophobicContact CZ-CE1 4.23Å; F3418-F3521 AromaticContact CZ-CZ 3.98Å; F3418-F3521 HydrophobicContact CZ-CZ 4.07Å; L3499-F3521 HydrophobicContact CB-CD2 3.95Å; L3499-F3521 HydrophobicContact CB-CE2 4.01Å; F3500-F3521 HydrophobicContact CB-CE2 3.86Å; F3500-F3521 HydrophobicContact CB-CZ 4.31Å; F3500-F3521 HydrophobicContact CD2-CD2 4.47Å; F3500-F3521 HydrophobicContact CD2-CE1 4.26Å; F3500-F3521 AromaticContact CD2-CE2 3.91Å; F3500-F3521 HydrophobicContact CD2-CE2 4.01Å; F3500-F3521 AromaticContact CD2-CZ 3.77Å; F3500-F3521 HydrophobicContact CD2-CZ 3.85Å; F3500-F3521 HydrophobicContact CG-CE2 4.36Å; F3500-F3521 HydrophobicContact CG-CZ 4.45Å; L3503-F3521 HydrophobicContact CD2-CB 4.31Å; L3503-F3521 HydrophobicContact CD2-CD1 4.35Å; L3503-F3521 HydrophobicContact CD2-CG 4.24Å; S3517-F3521 WeakPolarHBondContact O-CB 3.23Å; S3517-F3521 PolarHBondContact O-N 3.29Å; M3518-F3521 PolarHBondContact O-N 3.13Å; F3521-N3523 PolarHBondContact O-N 3.25Å; F3521-K3524 PolarHBondContact O-N 3.12Å; F3521-K3524 VanDerWaalsContact O-N 3.17Å; F3521-V3525 HydrophobicContact CD1-CG2 4.46Å; F3521-V3525 HydrophobicContact CD2-CG2 4.17Å; F3521-V3525 HydrophobicContact CE1-CG2 4.17Å; F3521-V3525 HydrophobicContact CE2-CG2 3.78Å; F3521-V3525 HydrophobicContact CG-CG2 4.48Å; F3521-V3525 HydrophobicContact CZ-CG2 3.79Å; F3521-V3525 WeakPolarHBondContact O-CG2 3.42Å; F3521-V3525 PolarHBondContact O-N 2.8Å
3522L90.1Very high85.3Confident0 Ų054.4 Ų54.40%029%0.287CS..Hα-helixtrans-61.4-42.7-179.5-69.6-179.5000112.2M3403 V3406 F3407 V3410 M3518 N3519 K3524 V3525 I3526 W3531M3403-L3522 HydrophobicContact CG-CD1 4.28Å; V3406-L3522 HydrophobicContact CB-CD1 4.39Å; V3406-L3522 HydrophobicContact CG1-CD1 4.02Å; V3406-L3522 HydrophobicContact CG1-CD2 4.04Å; V3406-L3522 HydrophobicContact CG1-CG 4.47Å; F3407-L3522 HydrophobicContact CD1-CD2 4.49Å; F3407-L3522 HydrophobicContact CD2-CD1 3.79Å; F3407-L3522 HydrophobicContact CD2-CD2 3.89Å; F3407-L3522 HydrophobicContact CD2-CG 4.08Å; F3407-L3522 HydrophobicContact CE1-CD2 4.4Å; F3407-L3522 HydrophobicContact CE2-CD1 3.66Å; F3407-L3522 HydrophobicContact CE2-CD2 3.8Å; F3407-L3522 HydrophobicContact CE2-CG 3.66Å; F3407-L3522 HydrophobicContact CG-CD2 4.26Å; F3407-L3522 HydrophobicContact CZ-CD2 4.14Å; F3407-L3522 HydrophobicContact CZ-CG 4.2Å; V3410-L3522 HydrophobicContact CB-CD2 4.41Å; V3410-L3522 HydrophobicContact CG2-CD2 3.99Å; M3518-L3522 WeakPolarHBondContact O-CB 3.38Å; M3518-L3522 VanDerWaalsContact O-CG 3.31Å; M3518-L3522 WeakPolarHBondContact O-CG 3.33Å; M3518-L3522 PolarHBondContact O-N 2.98Å; N3519-L3522 PolarHBondContact O-N 3.06Å; L3522-K3524 VanDerWaalsContact C-N 3.34Å; L3522-K3524 PolarHBondContact O-N 3.16Å; L3522-V3525 PolarHBondContact O-N 3.17Å; L3522-I3526 HydrophobicContact CB-CD1 4.49Å; L3522-I3526 VanDerWaalsContact O-CB 3.31Å; L3522-I3526 WeakPolarHBondContact O-CB 3.38Å; L3522-I3526 WeakPolarHBondContact O-CG1 3.4Å; L3522-I3526 PolarHBondContact O-N 2.98Å; L3522-W3531 HydrophobicContact CB-CB 4.18Å; L3522-W3531 VanDerWaalsContact CB-CD1 3.46Å; L3522-W3531 HydrophobicContact CB-CD2 4.41Å; L3522-W3531 HydrophobicContact CB-CG 3.88Å; L3522-W3531 HydrophobicContact CD1-CD2 3.9Å; L3522-W3531 HydrophobicContact CD1-CE3 4.25Å; L3522-W3531 HydrophobicContact CD1-CG 4.25Å; L3522-W3531 HydrophobicContact CD1-CH2 4.45Å; L3522-W3531 HydrophobicContact CD1-CZ2 3.91Å
3523N88.4Confident85.3Confident40.6667 Ų40.666750.3 Ų50.322%0.21727%0.266CS..Hα-helixtrans-58.6-45.1175-79.5-11.7000112N3519 F3521 G3527 R3528 E3529 S3530 W3531N3519-N3523 VanDerWaalsContact O-CB 3.32Å; N3519-N3523 WeakPolarHBondContact O-CB 3.31Å; N3519-N3523 VanDerWaalsContact O-CG 3.22Å; N3519-N3523 PolarHBondContact O-N 3.26Å; N3519-N3523 PolarHBondContact O-ND2 3.04Å; F3521-N3523 PolarHBondContact O-N 3.25Å; N3523-G3527 WeakPolarHBondContact O-CA 3.28Å; N3523-G3527 PolarHBondContact O-N 2.95Å; N3523-R3528 WeakPolarHBondContact CB-O 3.44Å; N3523-R3528 PolarHBondContact O-N 3.07Å; N3523-E3529 VanDerWaalsContact CG-O 3.31Å; N3523-E3529 PolarHBondContact ND2-O 3.18Å; N3523-E3529 PolarHBondContact OD1-O 2.93Å; N3523-S3530 VanDerWaalsContact OD1-CA 3.26Å; N3523-S3530 WeakPolarHBondContact OD1-CA 3.23Å; N3523-W3531 VanDerWaalsContact OD1-CD1 3.25Å; N3523-W3531 PolarHBondContact OD1-N 3.38Å
3524K86.9Confident84.7Confident91.3333 Ų91.333353.2 Ų53.240%0.39728%0.282SS..Hα-helixtrans-66.6-39.9179.2-73.2168.6-177165.20112.4D3487 L3499 S3520 F3521 L3522D3487-K3524 IonicContact OD1-NZ 2.74Å; L3499-K3524 HydrophobicContact CD1-CB 4.13Å; L3499-K3524 HydrophobicContact CD2-CD 4Å; S3520-K3524 WeakPolarHBondContact O-CB 3.27Å; S3520-K3524 WeakPolarHBondContact O-CD 3.5Å; S3520-K3524 VanDerWaalsContact O-CG 3.25Å; S3520-K3524 WeakPolarHBondContact O-CG 3.38Å; S3520-K3524 PolarHBondContact O-N 3.3Å; S3520-K3524 WeakPolarHBondContact OG-CE 3.35Å; S3520-K3524 PolarHBondContact OG-NZ 3.36Å; F3521-K3524 PolarHBondContact O-N 3.12Å; F3521-K3524 VanDerWaalsContact O-N 3.17Å; L3522-K3524 VanDerWaalsContact C-N 3.34Å; L3522-K3524 PolarHBondContact O-N 3.16Å
3525V86.4Confident83.7Confident15.3333 Ų15.333353.9 Ų53.99%0.09328%0.284CS..Hα-helixtrans-73.8-40.8-179.9173.90000112.2V3410 Y3414 L3499 F3521 L3522 G3527V3410-V3525 HydrophobicContact CG1-CG1 3.78Å; V3410-V3525 HydrophobicContact CG2-CG1 4.28Å; Y3414-V3525 HydrophobicContact CD1-CG1 4.2Å; Y3414-V3525 HydrophobicContact CD2-CG1 4.13Å; Y3414-V3525 HydrophobicContact CE1-CG1 4.48Å; Y3414-V3525 HydrophobicContact CE2-CG1 4.4Å; Y3414-V3525 HydrophobicContact CG-CG1 4.13Å; L3499-V3525 HydrophobicContact CD1-CG2 4.42Å; F3521-V3525 HydrophobicContact CD1-CG2 4.46Å; F3521-V3525 HydrophobicContact CD2-CG2 4.17Å; F3521-V3525 HydrophobicContact CE1-CG2 4.17Å; F3521-V3525 HydrophobicContact CE2-CG2 3.78Å; F3521-V3525 HydrophobicContact CG-CG2 4.48Å; F3521-V3525 HydrophobicContact CZ-CG2 3.79Å; F3521-V3525 WeakPolarHBondContact O-CG2 3.42Å; F3521-V3525 PolarHBondContact O-N 2.8Å; L3522-V3525 PolarHBondContact O-N 3.17Å; V3525-G3527 VanDerWaalsContact C-N 3.32Å
3526I84.9Confident82.7Confident14 Ų1449 Ų497%0.07226%0.259CS..Hα-helixtrans-76.3-23.8178.6-66.9165.2000111.4I3390 V3406 V3410 L3522 R3528 W3531I3390-I3526 HydrophobicContact CD1-CD1 3.86Å; I3390-I3526 HydrophobicContact CD1-CG1 4.49Å; V3406-I3526 HydrophobicContact CG1-CD1 3.68Å; V3410-I3526 HydrophobicContact CG2-CD1 4.19Å; V3410-I3526 HydrophobicContact CG2-CG1 4.17Å; L3522-I3526 HydrophobicContact CB-CD1 4.49Å; L3522-I3526 VanDerWaalsContact O-CB 3.31Å; L3522-I3526 WeakPolarHBondContact O-CB 3.38Å; L3522-I3526 WeakPolarHBondContact O-CG1 3.4Å; L3522-I3526 PolarHBondContact O-N 2.98Å; I3526-R3528 HydrophobicContact CG2-CB 4.42Å; I3526-R3528 HydrophobicContact CG2-CG 4.39Å; I3526-W3531 HydrophobicContact CD1-CB 3.52Å; I3526-W3531 VanDerWaalsContact CD1-CB 3.47Å; I3526-W3531 HydrophobicContact CD1-CG 4.36Å
3527G81.6Confident82Confident64 Ų6449.6 Ų49.666%0.6626%0.257SS*.THydrogen-bonded Turntrans78.634.2178.700000113.5N3523 V3525N3523-G3527 WeakPolarHBondContact O-CA 3.28Å; N3523-G3527 PolarHBondContact O-N 2.95Å; V3525-G3527 VanDerWaalsContact C-N 3.32Å
3528R78.9Confident81.6Confident111.667 Ų111.66749.2 Ų49.242%0.42126%0.255SS..SBendtrans-136.4156.7178.9-73.1-171169.4-134.5-2.2111.6W3387 N3523 I3526 S3530W3387-R3528 VanDerWaalsContact CD1-CZ 3.48Å; W3387-R3528 VanDerWaalsContact CD1-NH1 3.35Å; W3387-R3528 VanDerWaalsContact CD2-CZ 3.46Å; W3387-R3528 VanDerWaalsContact CD2-NH1 3.3Å; W3387-R3528 VanDerWaalsContact CE2-NH1 3.3Å; W3387-R3528 VanDerWaalsContact NE1-NH1 3.11Å; N3523-R3528 WeakPolarHBondContact CB-O 3.44Å; N3523-R3528 PolarHBondContact O-N 3.07Å; I3526-R3528 HydrophobicContact CG2-CB 4.42Å; I3526-R3528 HydrophobicContact CG2-CG 4.39Å; R3528-S3530 VanDerWaalsContact C-N 3.26Å; R3528-S3530 PolarHBondContact O-N 3.23Å
3529E77.4Confident81.1Confident192.333 Ų192.33349.9 Ų49.990%0.89926%0.262SS*.SBendtrans-63.1-31.3176.7-64.3-173.6169.600113.1N3523N3523-E3529 VanDerWaalsContact CG-O 3.31Å; N3523-E3529 PolarHBondContact ND2-O 3.18Å; N3523-E3529 PolarHBondContact OD1-O 2.93Å
3530S81.9Confident80.7Confident55.6667 Ų55.666752.7 Ų52.739%0.38927%0.274SS..  trans-142.8131.6173.3-167.90000110.3W3387 N3523 R3528 K3532W3387-S3530 WeakPolarHBondContact CZ3-O 3.11Å; N3523-S3530 VanDerWaalsContact OD1-CA 3.26Å; N3523-S3530 WeakPolarHBondContact OD1-CA 3.23Å; R3528-S3530 VanDerWaalsContact C-N 3.26Å; R3528-S3530 PolarHBondContact O-N 3.23Å; S3530-K3532 PolarHBondContact OG-N 3.4Å
3531W84.7Confident80.3Confident5.66667 Ų5.6666751.7 Ų51.72%0.02127%0.266CS..  trans-85.6-12.2169.966.6-96.7000113.1W3387 I3390 H3402 M3403 V3406 N3519 L3522 N3523 I3526W3387-W3531 WeakPolarHBondContact CH2-O 3.49Å; W3387-W3531 VanDerWaalsContact CZ3-C 3.49Å; W3387-W3531 WeakPolarHBondContact CZ3-O 3.37Å; I3390-W3531 WeakPolarHBondContact CG2-O 3.24Å; H3402-W3531 HydrophobicContact CB-CH2 4.03Å; H3402-W3531 HydrophobicContact CB-CZ3 3.93Å; M3403-W3531 VanDerWaalsContact CA-CH2 3.48Å; M3403-W3531 HydrophobicContact CB-CH2 3.88Å; M3403-W3531 HydrophobicContact CB-CZ2 4.22Å; M3403-W3531 HydrophobicContact CE-CH2 4.41Å; M3403-W3531 HydrophobicContact CE-CZ2 3.84Å; M3403-W3531 HydrophobicContact CG-CH2 4.38Å; M3403-W3531 HydrophobicContact CG-CZ2 4.44Å; V3406-W3531 HydrophobicContact CB-CE3 3.94Å; V3406-W3531 HydrophobicContact CB-CZ3 4.01Å; V3406-W3531 HydrophobicContact CG1-CD2 4.27Å; V3406-W3531 HydrophobicContact CG1-CE3 3.97Å; V3406-W3531 HydrophobicContact CG1-CZ3 4.45Å; V3406-W3531 HydrophobicContact CG2-CE3 3.65Å; V3406-W3531 HydrophobicContact CG2-CZ3 3.69Å; N3519-W3531 VanDerWaalsContact OD1-CZ2 3.24Å; N3519-W3531 WeakPolarHBondContact OD1-CZ2 3.32Å; N3519-W3531 PolarHBondContact OD1-NE1 3.12Å; N3519-W3531 VanDerWaalsContact OD1-NE1 3.14Å; L3522-W3531 HydrophobicContact CB-CB 4.18Å; L3522-W3531 VanDerWaalsContact CB-CD1 3.46Å; L3522-W3531 HydrophobicContact CB-CD2 4.41Å; L3522-W3531 HydrophobicContact CB-CG 3.88Å; L3522-W3531 HydrophobicContact CD1-CD2 3.9Å; L3522-W3531 HydrophobicContact CD1-CE3 4.25Å; L3522-W3531 HydrophobicContact CD1-CG 4.25Å; L3522-W3531 HydrophobicContact CD1-CH2 4.45Å; L3522-W3531 HydrophobicContact CD1-CZ2 3.91Å; N3523-W3531 VanDerWaalsContact OD1-CD1 3.25Å; N3523-W3531 PolarHBondContact OD1-N 3.38Å; I3526-W3531 HydrophobicContact CD1-CB 3.52Å; I3526-W3531 VanDerWaalsContact CD1-CB 3.47Å; I3526-W3531 HydrophobicContact CD1-CG 4.36Å
3532K81.2Confident79.9Confident90.6667 Ų90.666753.3 Ų53.339%0.39428%0.275SS..SBendtrans-66.7134.6-177.3-71.2-169.3173-166.10110.8W3387 S3530 S3662W3387-K3532 WeakPolarHBondContact CH2-O 3.36Å; S3530-K3532 PolarHBondContact OG-N 3.4Å; K3532-S3662 PolarHBondContact NZ-OG 3.14Å
3533P79.1Confident79.4Confident18.6667 Ų18.666758.8 Ų58.812%0.12131%0.311CS..PPolyproline II helixtrans-60.7152.1179.427.7-35.8000111.2H3402 Q3535H3402-P3533 VanDerWaalsContact CE1-CG 3.44Å; H3402-P3533 WeakPolarHBondContact CE1-CG 3.35Å; P3533-Q3535 PolarHBondContact O-N 3.21Å
3534H73.1Confident79.1Confident114 Ų11460.3 Ų60.353%0.52832%0.317SS..PPolyproline II helixtrans-68.5130.2174.1-6292.8000109.9W3387 D3391 S3536W3387-H3534 AromaticContact CZ2-CE1 3.5Å; W3387-H3534 VanDerWaalsContact CZ2-CE1 3.41Å; W3387-H3534 WeakPolarHBondContact CZ2-CE1 3.21Å; W3387-H3534 AromaticContact CZ2-ND1 3.68Å; D3391-H3534 WeakPolarHBondContact OD1-CB 3.39Å; D3391-H3534 IonicContact OD1-CE1 3.33Å; D3391-H3534 IonicContact OD1-CG 3.42Å; D3391-H3534 PolarHBondContact OD1-N 2.87Å; D3391-H3534 IonicContact OD1-ND1 2.95Å; D3391-H3534 PolarHBondContact OD1-ND1 3.38Å; H3534-S3536 PolarHBondContact O-N 2.94Å; H3534-S3536 PolarHBondContact O-OG 2.97Å; H3534-S3536 VanDerWaalsContact O-OG 3.05Å
3535Q65.2Low79Confident63.3333 Ų63.333356.3 Ų56.330%0.29630%0.3SS..  trans-64.4109.6166.8-76.7170.6-8.100108P3533P3533-Q3535 PolarHBondContact O-N 3.21Å
3536S66Low78.9Confident9.33333 Ų9.3333358 Ų587%0.06531%0.31CS..  trans-98.6130.6-174.5-37.50000108.5R3395 H3534 F3656R3395-S3536 WeakPolarHBondContact CD-OG 3.08Å; R3395-S3536 WeakPolarHBondContact CG-OG 3.49Å; R3395-S3536 PolarHBondContact NE-OG 2.96Å; H3534-S3536 PolarHBondContact O-N 2.94Å; H3534-S3536 PolarHBondContact O-OG 2.97Å; H3534-S3536 VanDerWaalsContact O-OG 3.05Å; S3536-F3656 VanDerWaalsContact O-CZ 3.28Å; S3536-F3656 WeakPolarHBondContact O-CZ 3.39Å
3537Q71.6Confident79Confident50.3333 Ų50.333358.3 Ų58.324%0.23531%0.313CS..  trans-66156.7168.3-62.7177.2-5.600109.8S3539 H3540 S3673Q3537-S3539 VanDerWaalsContact CB-OG 3.31Å; Q3537-S3539 WeakPolarHBondContact CB-OG 3.34Å; Q3537-S3539 PolarHBondContact O-N 3.1Å; Q3537-S3539 VanDerWaalsContact O-N 3.08Å; Q3537-S3539 PolarHBondContact OE1-OG 3.24Å; Q3537-H3540 WeakPolarHBondContact O-CB 3.34Å; Q3537-H3540 PolarHBondContact O-N 3.05Å; Q3537-S3673 PolarHBondContact NE2-O 3.22Å; Q3537-S3673 PolarHBondContact NE2-OG 3.33Å
3538L80.4Confident79.2Confident0.666667 Ų0.66666760.9 Ų60.90%0.00331%0.312CS..G310 helixtrans-58.6-25.5176.5-65.2177.6000112.4H3540 L3541 I3553 P3561 E3564 V3565 L3568 F3656 Y3658L3538-H3540 VanDerWaalsContact C-N 3.26Å; L3538-H3540 PolarHBondContact O-N 2.85Å; L3538-L3541 HydrophobicContact CD2-CD1 3.78Å; L3538-L3541 WeakPolarHBondContact O-CB 3.4Å; L3538-L3541 PolarHBondContact O-N 3.06Å; L3538-L3541 VanDerWaalsContact O-N 3.11Å; L3538-I3553 HydrophobicContact CD1-CD1 4.11Å; L3538-I3553 HydrophobicContact CD2-CD1 3.91Å; L3538-I3553 HydrophobicContact CD2-CG1 4.44Å; L3538-P3561 HydrophobicContact CD1-CB 4.3Å; L3538-E3564 HydrophobicContact CB-CG 4.48Å; L3538-E3564 HydrophobicContact CD1-CB 3.89Å; L3538-E3564 HydrophobicContact CD1-CG 3.82Å; L3538-E3564 HydrophobicContact CG-CG 4.3Å; L3538-E3564 WeakPolarHBondContact CG-OE1 3.29Å; L3538-E3564 PolarHBondContact N-OE1 3.29Å; L3538-E3564 VanDerWaalsContact N-OE1 3.11Å; L3538-V3565 HydrophobicContact CD1-CG2 3.64Å; L3538-L3568 HydrophobicContact CB-CD2 4Å; L3538-F3656 HydrophobicContact CD2-CD1 3.66Å; L3538-F3656 HydrophobicContact CD2-CE1 3.61Å; L3538-F3656 VanDerWaalsContact CD2-CE1 3.44Å; L3538-F3656 HydrophobicContact CD2-CG 4.34Å; L3538-F3656 HydrophobicContact CD2-CZ 4.35Å; L3538-F3656 HydrophobicContact CG-CE1 4.43Å; L3538-Y3658 HydrophobicContact CD1-CE2 4.24Å; L3538-Y3658 HydrophobicContact CD2-CD2 4.33Å; L3538-Y3658 HydrophobicContact CG-CE2 4.37Å
3539S78.8Confident79.5Confident41 Ų4156.9 Ų56.929%0.28730%0.298SS..G310 helixtrans-57.9-32.1173.362.70000113.8Q3537 L3541 L3542Q3537-S3539 VanDerWaalsContact CB-OG 3.31Å; Q3537-S3539 WeakPolarHBondContact CB-OG 3.34Å; Q3537-S3539 PolarHBondContact O-N 3.1Å; Q3537-S3539 VanDerWaalsContact O-N 3.08Å; Q3537-S3539 PolarHBondContact OE1-OG 3.24Å; S3539-L3541 VanDerWaalsContact C-N 3.27Å; S3539-L3541 PolarHBondContact O-N 3.15Å; S3539-L3542 PolarHBondContact O-N 2.96Å
3540H79.3Confident80.3Confident98.3333 Ų98.333348.3 Ų48.346%0.45526%0.259SS..G310 helixtrans-74.2-15.6178.9-66.5-147.5000113.2Q3537 L3538 P3543Q3537-H3540 WeakPolarHBondContact O-CB 3.34Å; Q3537-H3540 PolarHBondContact O-N 3.05Å; L3538-H3540 VanDerWaalsContact C-N 3.26Å; L3538-H3540 PolarHBondContact O-N 2.85Å; H3540-P3543 WeakPolarHBondContact O-CD 3.24Å
3541L80.7Confident80.8Confident2 Ų245.6 Ų45.61%0.0124%0.24CC..G310 helixtrans-80.3-21.8177.1-57.7174.3000112.2L3538 S3539 E3544 S3545 V3551 W3636 F3656L3538-L3541 HydrophobicContact CD2-CD1 3.78Å; L3538-L3541 WeakPolarHBondContact O-CB 3.4Å; L3538-L3541 PolarHBondContact O-N 3.06Å; L3538-L3541 VanDerWaalsContact O-N 3.11Å; S3539-L3541 VanDerWaalsContact C-N 3.27Å; S3539-L3541 PolarHBondContact O-N 3.15Å; L3541-E3544 CarbonylContact O-C 3.54Å; L3541-E3544 PolarHBondContact O-N 3.14Å; L3541-E3544 VanDerWaalsContact O-N 3.08Å; L3541-S3545 WeakPolarHBondContact O-CB 3.42Å; L3541-S3545 PolarHBondContact O-N 3.21Å; L3541-V3551 HydrophobicContact CD1-CG1 4.34Å; L3541-W3636 HydrophobicContact CD1-CZ3 4.48Å; L3541-F3656 HydrophobicContact CD1-CB 3.89Å; L3541-F3656 HydrophobicContact CD1-CD1 4.21Å; L3541-F3656 HydrophobicContact CD1-CD2 3.71Å; L3541-F3656 HydrophobicContact CD1-CE1 4.38Å; L3541-F3656 HydrophobicContact CD1-CE2 4.27Å; L3541-F3656 HydrophobicContact CD1-CG 3.67Å; L3541-F3656 HydrophobicContact CD1-CZ 4.47Å; L3541-F3656 HydrophobicContact CD2-CD2 3.83Å; L3541-F3656 HydrophobicContact CD2-CE2 4.32Å; L3541-F3656 HydrophobicContact CD2-CG 4.49Å; L3541-F3656 HydrophobicContact CG-CD2 4.26Å
3542L81.5Confident81.3Confident39.6667 Ų39.666745.4 Ų45.421%0.20824%0.24CC..THydrogen-bonded Turntrans-58.1-44.7-175.5-91.9151000113.8S3539 E3544 S3545 L3568 T3572 W3604 W3636S3539-L3542 PolarHBondContact O-N 2.96Å; L3542-E3544 PolarHBondContact O-N 3.19Å; L3542-S3545 PolarHBondContact O-N 3.08Å; L3542-S3545 PolarHBondContact O-OG 3.08Å; L3542-L3568 HydrophobicContact CD1-CD1 3.8Å; L3542-L3568 HydrophobicContact CD1-CD2 4.17Å; L3542-L3568 HydrophobicContact CD1-CG 4.08Å; L3542-L3568 HydrophobicContact CD2-CD2 4.05Å; L3542-L3568 HydrophobicContact CG-CD2 4.12Å; L3542-T3572 HydrophobicContact CD1-CG2 4.19Å; L3542-T3572 HydrophobicContact CD2-CG2 3.86Å; L3542-W3604 HydrophobicContact CD1-CH2 3.81Å; L3542-W3604 VanDerWaalsContact CD1-CH2 3.49Å; L3542-W3604 HydrophobicContact CD1-CZ2 3.53Å; L3542-W3604 HydrophobicContact CD2-CH2 3.85Å; L3542-W3604 VanDerWaalsContact CD2-CH2 3.43Å; L3542-W3604 HydrophobicContact CD2-CZ2 4.04Å; L3542-W3604 HydrophobicContact CD2-CZ3 4.15Å; L3542-W3604 HydrophobicContact CG-CH2 4.45Å; L3542-W3636 HydrophobicContact CD2-CH2 3.98Å; L3542-W3636 HydrophobicContact CD2-CZ2 3.7Å
3543P80.6Confident81.9Confident115.333 Ų115.33341.1 Ų41.175%0.74922%0.221SC*.THydrogen-bonded Turntrans-66.8-21.1177.3-18.533000114H3540H3540-P3543 WeakPolarHBondContact O-CD 3.24Å
3544E80.1Confident82.5Confident74 Ų7440.3 Ų40.335%0.34622%0.216SC..THydrogen-bonded Turntrans-91.3-25.1179.5-62.3176-165.600111.4R3395 L3541 L3542 L3654R3395-E3544 IonicContact CZ-OE1 3.61Å; R3395-E3544 VanDerWaalsContact NH1-CD 3.31Å; R3395-E3544 IonicContact NH1-OE1 3.45Å; R3395-E3544 PolarHBondContact NH1-OE1 3.29Å; R3395-E3544 IonicContact NH1-OE2 3.6Å; R3395-E3544 PolarHBondContact NH1-OE2 2.86Å; R3395-E3544 VanDerWaalsContact NH1-OE2 3.17Å; L3541-E3544 CarbonylContact O-C 3.54Å; L3541-E3544 PolarHBondContact O-N 3.14Å; L3541-E3544 VanDerWaalsContact O-N 3.08Å; L3542-E3544 PolarHBondContact O-N 3.19Å; E3544-L3654 HydrophobicContact CB-CD2 4.21Å
3545S85.2Confident83.2Confident6 Ų635.6 Ų35.64%0.04220%0.195CC..  trans-72.9140.9-17973.60000113.6L3541 L3542 R3634L3541-S3545 WeakPolarHBondContact O-CB 3.42Å; L3541-S3545 PolarHBondContact O-N 3.21Å; L3542-S3545 PolarHBondContact O-N 3.08Å; L3542-S3545 PolarHBondContact O-OG 3.08Å; S3545-R3634 PolarHBondContact O-NE 3.14Å; S3545-R3634 PolarHBondContact O-NH2 3Å; S3545-R3634 PolarHBondContact OG-NE 3.11Å
3546T85.5Confident84.1Confident50.3333 Ų50.333334.5 Ų34.531%0.30919%0.193SC..BIsolated β-bridgetrans-122.2165.8176.2730000111.5N3548 E3549 R3634T3546-N3548 VanDerWaalsContact C-N 3.28Å; T3546-N3548 PolarHBondContact O-N 3.12Å; T3546-N3548 PolarHBondContact OG1-N 3.35Å; T3546-E3549 VanDerWaalsContact OG1-CB 3.23Å; T3546-E3549 WeakPolarHBondContact OG1-CB 3.35Å; T3546-E3549 WeakPolarHBondContact OG1-CG 3.3Å; T3546-E3549 PolarHBondContact OG1-N 2.93Å; T3546-E3549 PolarHBondContact OG1-OE2 3.32Å; T3546-E3549 VanDerWaalsContact OG1-OE2 3.1Å; T3546-R3634 WeakPolarHBondContact O-CD 3.49Å
3547C85.9Confident84.4Confident20.3333 Ų20.333340.1 Ų40.114%0.13722%0.217CC..THydrogen-bonded Turntrans-69.2-22178.255.40000113.7P3629 T3630 F3633C3547-P3629 HydrophobicContact CB-CB 4.29Å; C3547-P3629 HydrophobicContact CB-CG 4.1Å; C3547-P3629 WeakPolarHBondContact O-CG 3.28Å; C3547-T3630 WeakPolarHBondContact CB-O 3.46Å; C3547-F3633 WeakPolarHBondContact CA-O 3.39Å; C3547-F3633 WeakPolarHBondContact O-CD1 3.45Å
3548N85.3Confident84.2Confident119.333 Ų119.33338.3 Ų38.364%0.63821%0.211SC*.THydrogen-bonded Turntrans-98.4-11-177.6-63.5-23.6000113.3T3546 P3629T3546-N3548 VanDerWaalsContact C-N 3.28Å; T3546-N3548 PolarHBondContact O-N 3.12Å; T3546-N3548 PolarHBondContact OG1-N 3.35Å; N3548-P3629 WeakPolarHBondContact OD1-CD 3.38Å; N3548-P3629 WeakPolarHBondContact OD1-CG 3.33Å
3549E87Confident84Confident28.3333 Ų28.333339.1 Ų39.113%0.13222%0.218CC..BIsolated β-bridgetrans-115.5107-174.5-145.1167.9178.800109.3K3359 T3546 L3654K3359-E3549 VanDerWaalsContact NZ-CD 3.27Å; K3359-E3549 IonicContact NZ-OE1 3.72Å; K3359-E3549 PolarHBondContact NZ-OE1 3.01Å; K3359-E3549 IonicContact NZ-OE2 3.61Å; K3359-E3549 PolarHBondContact NZ-OE2 3.2Å; K3359-E3549 VanDerWaalsContact NZ-OE2 3.09Å; T3546-E3549 VanDerWaalsContact OG1-CB 3.23Å; T3546-E3549 WeakPolarHBondContact OG1-CB 3.35Å; T3546-E3549 WeakPolarHBondContact OG1-CG 3.3Å; T3546-E3549 PolarHBondContact OG1-N 2.93Å; T3546-E3549 PolarHBondContact OG1-OE2 3.32Å; T3546-E3549 VanDerWaalsContact OG1-OE2 3.1Å; E3549-L3654 HydrophobicContact CG-CB 4.22Å
3550P92.4Very high84Confident10.6667 Ų10.666740.5 Ų40.57%0.06922%0.222CC..  trans-63.5145178-5.911.9000111.8L3624 L3635 L3637 N3652 C3653 L3654P3550-L3624 HydrophobicContact CG-CD1 3.99Å; P3550-L3635 CarbonylContact C-O 3.6Å; P3550-L3635 WeakPolarHBondContact CA-O 3.41Å; P3550-L3635 HydrophobicContact CB-CB 4.23Å; P3550-L3635 HydrophobicContact CB-CD2 4.15Å; P3550-L3635 HydrophobicContact CB-CG 4.26Å; P3550-L3635 HydrophobicContact CG-CD2 4.22Å; P3550-L3637 HydrophobicContact CB-CD1 3.85Å; P3550-L3637 HydrophobicContact CB-CG 4.37Å; P3550-L3637 HydrophobicContact CG-CD1 4.32Å; P3550-N3652 WeakPolarHBondContact CD-O 3.48Å; P3550-C3653 CarbonylContact O-C 3.57Å; P3550-C3653 WeakPolarHBondContact O-CA 3.37Å; P3550-L3654 PolarHBondContact O-N 3.22Å
3551V93.8Very high84.3Confident0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-91.7110.8174.3-173.10000108.7L3541 I3553 L3635 W3636 L3637 L3654L3541-V3551 HydrophobicContact CD1-CG1 4.34Å; V3551-I3553 HydrophobicContact CG1-CG1 4.4Å; V3551-L3635 PolarHBondContact N-O 2.96Å; V3551-W3636 HydrophobicContact CB-CD2 4.24Å; V3551-W3636 HydrophobicContact CB-CE3 3.76Å; V3551-W3636 HydrophobicContact CB-CZ3 4.09Å; V3551-W3636 HydrophobicContact CG1-CE3 3.67Å; V3551-W3636 HydrophobicContact CG1-CH2 4.43Å; V3551-W3636 HydrophobicContact CG1-CZ3 3.62Å; V3551-W3636 HydrophobicContact CG2-CE3 4.33Å; V3551-W3636 HydrophobicContact CG2-CZ3 4.38Å; V3551-W3636 CarbonylContact O-C 3.5Å; V3551-L3637 PolarHBondContact O-N 2.92Å; V3551-L3654 CarbonylContact C-O 3.25Å; V3551-L3654 WeakPolarHBondContact CA-O 3.42Å; V3551-L3654 HydrophobicContact CG2-CD2 4.4Å
3552L94Very high84.6Confident1 Ų135.8 Ų35.81%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-97.8104.9179.9-177.364000110.1I3554 L3610 L3637 T3639 F3649 L3650 C3653 L3654 K3655 F3656L3552-I3554 HydrophobicContact CD2-CD1 4.31Å; L3552-I3554 HydrophobicContact CD2-CG1 4.47Å; L3552-I3554 HydrophobicContact CG-CD1 4.29Å; L3552-I3554 HydrophobicContact CG-CG1 4.22Å; L3552-L3610 HydrophobicContact CD1-CD2 4.48Å; L3552-L3637 CarbonylContact C-O 3.58Å; L3552-L3637 HydrophobicContact CD1-CB 3.77Å; L3552-T3639 HydrophobicContact CD1-CG2 3.68Å; L3552-T3639 HydrophobicContact CG-CG2 4.38Å; L3552-F3649 HydrophobicContact CD1-CE1 4.39Å; L3552-F3649 HydrophobicContact CD1-CZ 4.21Å; L3552-F3649 HydrophobicContact CD2-CE1 4.03Å; L3552-F3649 HydrophobicContact CD2-CZ 3.97Å; L3552-L3650 HydrophobicContact CD2-CD2 3.74Å; L3552-C3653 HydrophobicContact CB-CB 3.73Å; L3552-C3653 HydrophobicContact CD2-CB 4.27Å; L3552-L3654 PolarHBondContact N-O 2.86Å; L3552-K3655 HydrophobicContact CB-CG 4.37Å; L3552-K3655 HydrophobicContact CD2-CG 4.26Å; L3552-K3655 CarbonylContact O-C 3.21Å; L3552-K3655 WeakPolarHBondContact O-CA 3.42Å; L3552-F3656 PolarHBondContact O-N 2.84Å
3553I93.6Very high84.8Confident0 Ų036 Ų360%020%0.204CC..EExtended strand (participates in β ladder)trans-91.7121173.6-55.3173.9000109.1L3538 V3551 P3561 V3565 W3636 L3637 I3638 T3639 F3656 Y3658L3538-I3553 HydrophobicContact CD1-CD1 4.11Å; L3538-I3553 HydrophobicContact CD2-CD1 3.91Å; L3538-I3553 HydrophobicContact CD2-CG1 4.44Å; V3551-I3553 HydrophobicContact CG1-CG1 4.4Å; I3553-P3561 HydrophobicContact CB-CG 4.39Å; I3553-P3561 HydrophobicContact CD1-CB 4.34Å; I3553-P3561 HydrophobicContact CD1-CG 4.29Å; I3553-P3561 HydrophobicContact CG2-CB 4.13Å; I3553-P3561 HydrophobicContact CG2-CG 3.73Å; I3553-V3565 HydrophobicContact CD1-CG2 3.82Å; I3553-W3636 HydrophobicContact CD1-CE3 3.84Å; I3553-W3636 HydrophobicContact CD1-CZ3 4.14Å; I3553-W3636 HydrophobicContact CG1-CE3 4.39Å; I3553-L3637 PolarHBondContact N-O 3.14Å; I3553-I3638 HydrophobicContact CB-CG1 4.43Å; I3553-I3638 WeakPolarHBondContact O-CA 3.39Å; I3553-T3639 PolarHBondContact O-N 2.96Å; I3553-F3656 CarbonylContact C-O 3.32Å; I3553-F3656 WeakPolarHBondContact CA-O 3.32Å; I3553-F3656 HydrophobicContact CG2-CD1 4.3Å; I3553-Y3658 HydrophobicContact CG2-CG 4.43Å
3554I92Very high84.9Confident2.66667 Ų2.6666732 Ų321%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-103.5103.3178.2-57.8161.9000107.8V3349 F3398 L3552 T3639 F3656 I3657 Y3658V3349-I3554 HydrophobicContact CB-CD1 4.19Å; V3349-I3554 HydrophobicContact CG1-CD1 3.19Å; V3349-I3554 HydrophobicContact CG1-CG1 3.98Å; V3349-I3554 HydrophobicContact CG2-CD1 3.94Å; F3398-I3554 HydrophobicContact CE1-CG2 4.41Å; F3398-I3554 HydrophobicContact CZ-CG2 3.88Å; L3552-I3554 HydrophobicContact CD2-CD1 4.31Å; L3552-I3554 HydrophobicContact CD2-CG1 4.47Å; L3552-I3554 HydrophobicContact CG-CD1 4.29Å; L3552-I3554 HydrophobicContact CG-CG1 4.22Å; I3554-T3639 CarbonylContact C-O 3.34Å; I3554-T3639 VanDerWaalsContact CA-O 3.24Å; I3554-T3639 WeakPolarHBondContact CA-O 3.37Å; I3554-T3639 HydrophobicContact CG1-CG2 3.99Å; I3554-F3656 PolarHBondContact N-O 3.12Å; I3554-I3657 HydrophobicContact CB-CG1 4.11Å; I3554-I3657 HydrophobicContact CD1-CG1 3.94Å; I3554-I3657 HydrophobicContact CG2-CG1 4.46Å; I3554-I3657 WeakPolarHBondContact O-CA 3.29Å; I3554-Y3658 PolarHBondContact O-N 3.16Å
3555S88.9Confident85.3Confident14.6667 Ų14.666728.5 Ų28.510%0.10316%0.158CC..EExtended strand (participates in β ladder)trans-79.3139.4177.848.20000111.2A3559 T3639 Y3658S3555-A3559 WeakPolarHBondContact CB-O 3.41Å; S3555-T3639 PolarHBondContact N-O 3.17Å; S3555-T3639 PolarHBondContact OG-O 3.23Å; S3555-T3639 VanDerWaalsContact OG-O 3.08Å; S3555-Y3658 WeakPolarHBondContact CA-O 3.42Å
3556T83.8Confident85.5Confident39.6667 Ų39.666732 Ų3224%0.24317%0.174CC..PPolyproline II helixtrans-82.2156.5161.252.80000110.7F3398 G3558 A3559 Y3658 E3659F3398-T3556 HydrophobicContact CD1-CG2 3.98Å; F3398-T3556 HydrophobicContact CE1-CG2 3.67Å; T3556-G3558 PolarHBondContact O-N 2.95Å; T3556-A3559 PolarHBondContact O-N 2.97Å; T3556-Y3658 PolarHBondContact N-O 2.86Å; T3556-Y3658 VanDerWaalsContact N-O 3.16Å; T3556-Y3658 PolarHBondContact OG1-O 3.42Å; T3556-Y3658 VanDerWaalsContact OG1-O 3.12Å; T3556-E3659 HydrophobicContact CG2-CB 3.67Å; T3556-E3659 HydrophobicContact CG2-CG 3.38Å; T3556-E3659 WeakPolarHBondContact OG1-CA 3.45Å; T3556-E3659 WeakPolarHBondContact OG1-CB 3.28Å
3557F71.4Confident85.4Confident128 Ų12832.8 Ų32.856%0.56117%0.174SC*.THydrogen-bonded Turntrans-53.5125.6178-170.6-101000111.4F3715 E3717F3557-F3715 HydrophobicContact CD1-CD1 4.1Å; F3557-F3715 AromaticContact CD1-CE1 3.68Å; F3557-F3715 HydrophobicContact CD1-CE1 4.09Å; F3557-F3715 HydrophobicContact CD1-CZ 4.39Å; F3557-F3715 HydrophobicContact CE1-CD1 4.11Å; F3557-F3715 HydrophobicContact CE1-CE1 4.06Å; F3557-F3715 WeakPolarHBondContact O-CZ 2.96Å; F3557-E3717 HydrophobicContact CD1-CG 4.3Å; F3557-E3717 HydrophobicContact CE1-CG 4.14Å; F3557-E3717 WeakPolarHBondContact CE1-OE1 3.32Å; F3557-E3717 VanDerWaalsContact CZ-OE1 3.24Å; F3557-E3717 WeakPolarHBondContact CZ-OE1 3.34Å
3558G67.9Low85.5Confident12.3333 Ų12.333332.7 Ų32.713%0.12717%0.172CC..THydrogen-bonded Turntrans8214.9-175.700000116.2T3556 T3719T3556-G3558 PolarHBondContact O-N 2.95Å; G3558-T3719 WeakPolarHBondContact O-CG2 3.46Å
3559A75.4Confident85.6Confident16.6667 Ų16.666727 Ų2714%0.13814%0.142CC..  trans-128.1106.8173.700000111.2S3555 T3556 Y3658S3555-A3559 WeakPolarHBondContact CB-O 3.41Å; T3556-A3559 PolarHBondContact O-N 2.97Å; A3559-Y3658 HydrophobicContact CB-CD1 3.9Å; A3559-Y3658 HydrophobicContact CB-CE1 4.31Å
3560D80.4Confident85.7Confident70.6667 Ų70.666728.1 Ų28.138%0.37815%0.153SC..  trans-102.7115.6176.6-17915.3000111.3S3562D3560-S3562 VanDerWaalsContact C-N 3.31Å; D3560-S3562 VanDerWaalsContact CG-OG 3.28Å; D3560-S3562 WeakPolarHBondContact OD1-CB 3.29Å; D3560-S3562 PolarHBondContact OD1-N 3.24Å; D3560-S3562 PolarHBondContact OD1-OG 2.91Å; D3560-S3562 VanDerWaalsContact OD2-CB 3.3Å; D3560-S3562 WeakPolarHBondContact OD2-CB 3.36Å; D3560-S3562 PolarHBondContact OD2-OG 3.07Å
3561P85.5Confident85.3Confident0 Ų031.7 Ų31.70%018%0.178CC..  trans-80.1-7.3176.732.3-35000113.7L3538 I3553 V3563 E3564 V3565 I3638 Y3658L3538-P3561 HydrophobicContact CD1-CB 4.3Å; I3553-P3561 HydrophobicContact CB-CG 4.39Å; I3553-P3561 HydrophobicContact CD1-CB 4.34Å; I3553-P3561 HydrophobicContact CD1-CG 4.29Å; I3553-P3561 HydrophobicContact CG2-CB 4.13Å; I3553-P3561 HydrophobicContact CG2-CG 3.73Å; P3561-V3563 VanDerWaalsContact C-N 3.3Å; P3561-V3563 PolarHBondContact O-N 3Å; P3561-V3563 VanDerWaalsContact O-N 3.16Å; P3561-E3564 PolarHBondContact O-N 3.28Å; P3561-E3564 VanDerWaalsContact O-N 3.1Å; P3561-V3565 WeakPolarHBondContact O-CG2 3.37Å; P3561-V3565 PolarHBondContact O-N 3.13Å; P3561-I3638 HydrophobicContact CG-CD1 3.84Å; P3561-I3638 HydrophobicContact CG-CG1 3.93Å; P3561-I3638 HydrophobicContact CG-CG2 3.9Å; P3561-Y3658 HydrophobicContact CB-CD1 3.93Å; P3561-Y3658 HydrophobicContact CB-CD2 3.8Å; P3561-Y3658 HydrophobicContact CB-CE1 4.07Å; P3561-Y3658 HydrophobicContact CB-CE2 3.95Å; P3561-Y3658 HydrophobicContact CB-CG 3.8Å; P3561-Y3658 HydrophobicContact CG-CD1 4.41Å; P3561-Y3658 HydrophobicContact CG-CG 4.35Å
3562S86.2Confident84.9Confident3 Ų335 Ų352%0.02120%0.198CC..Hα-helixtrans-52.4-43.8-170.8-65.10000114.2D3560 V3565 E3566 K3608D3560-S3562 VanDerWaalsContact C-N 3.31Å; D3560-S3562 VanDerWaalsContact CG-OG 3.28Å; D3560-S3562 WeakPolarHBondContact OD1-CB 3.29Å; D3560-S3562 PolarHBondContact OD1-N 3.24Å; D3560-S3562 PolarHBondContact OD1-OG 2.91Å; D3560-S3562 VanDerWaalsContact OD2-CB 3.3Å; D3560-S3562 WeakPolarHBondContact OD2-CB 3.36Å; D3560-S3562 PolarHBondContact OD2-OG 3.07Å; S3562-V3565 PolarHBondContact O-N 3.19Å; S3562-E3566 WeakPolarHBondContact O-CB 3.33Å; S3562-E3566 PolarHBondContact O-N 3.24Å; S3562-K3608 WeakPolarHBondContact OG-CD 3.32Å; S3562-K3608 WeakPolarHBondContact OG-CE 3.38Å; S3562-K3608 PolarHBondContact OG-NZ 3.04Å; S3562-K3608 VanDerWaalsContact OG-NZ 3.08Å
3563V84.9Confident84.6Confident43.3333 Ų43.333336.6 Ų36.626%0.26321%0.208SC..Hα-helixtrans-68.2-39.8-177.8-178.60000110.9P3561 E3566 E3567 K3724P3561-V3563 VanDerWaalsContact C-N 3.3Å; P3561-V3563 PolarHBondContact O-N 3Å; P3561-V3563 VanDerWaalsContact O-N 3.16Å; V3563-E3566 PolarHBondContact O-N 3.2Å; V3563-E3567 WeakPolarHBondContact O-CG 3.29Å; V3563-E3567 PolarHBondContact O-N 3.19Å; V3563-K3724 HydrophobicContact CG1-CD 4.45Å
3564E84.1Confident84.2Confident31 Ų3137.5 Ų37.515%0.14522%0.218CC..Hα-helixtrans-67.7-37.9177.4-168.1-176.3155.100111.2L3538 P3561 E3566 E3567 L3568 Y3658L3538-E3564 HydrophobicContact CB-CG 4.48Å; L3538-E3564 HydrophobicContact CD1-CB 3.89Å; L3538-E3564 HydrophobicContact CD1-CG 3.82Å; L3538-E3564 HydrophobicContact CG-CG 4.3Å; L3538-E3564 WeakPolarHBondContact CG-OE1 3.29Å; L3538-E3564 PolarHBondContact N-OE1 3.29Å; L3538-E3564 VanDerWaalsContact N-OE1 3.11Å; P3561-E3564 PolarHBondContact O-N 3.28Å; P3561-E3564 VanDerWaalsContact O-N 3.1Å; E3564-E3566 VanDerWaalsContact C-N 3.35Å; E3564-E3567 PolarHBondContact O-N 3.19Å; E3564-L3568 VanDerWaalsContact O-CB 3.3Å; E3564-L3568 WeakPolarHBondContact O-CB 3.41Å; E3564-L3568 PolarHBondContact O-N 3.14Å; E3564-Y3658 VanDerWaalsContact OE2-CE2 3.25Å; E3564-Y3658 WeakPolarHBondContact OE2-CE2 3.46Å; E3564-Y3658 PolarHBondContact OE2-OH 3.08Å
3565V88.7Confident83.9Confident0 Ų042.1 Ų42.10%025%0.247CC..Hα-helixtrans-64-41173.1177.40000111.3L3538 I3553 P3561 S3562 L3568 A3569 Y3578 W3636L3538-V3565 HydrophobicContact CD1-CG2 3.64Å; I3553-V3565 HydrophobicContact CD1-CG2 3.82Å; P3561-V3565 WeakPolarHBondContact O-CG2 3.37Å; P3561-V3565 PolarHBondContact O-N 3.13Å; S3562-V3565 PolarHBondContact O-N 3.19Å; V3565-L3568 PolarHBondContact O-N 3.32Å; V3565-A3569 VanDerWaalsContact O-CB 3.32Å; V3565-A3569 WeakPolarHBondContact O-CB 3.38Å; V3565-A3569 PolarHBondContact O-N 3.36Å; V3565-Y3578 HydrophobicContact CG1-CE2 3.98Å; V3565-W3636 HydrophobicContact CG1-CB 4.48Å; V3565-W3636 HydrophobicContact CG1-CD2 4.13Å; V3565-W3636 HydrophobicContact CG1-CE3 4.49Å; V3565-W3636 HydrophobicContact CG1-CG 4.11Å; V3565-W3636 HydrophobicContact CG2-CE3 4.37Å
3566E88.3Confident83.9Confident79 Ų7945.5 Ų45.537%0.36927%0.271SS..Hα-helixtrans-68-39.9179.5-176.8166-176.600112.5S3562 V3563 E3564 A3569 S3570 Y3578 Q3580S3562-E3566 WeakPolarHBondContact O-CB 3.33Å; S3562-E3566 PolarHBondContact O-N 3.24Å; V3563-E3566 PolarHBondContact O-N 3.2Å; E3564-E3566 VanDerWaalsContact C-N 3.35Å; E3566-A3569 PolarHBondContact O-N 3.12Å; E3566-S3570 VanDerWaalsContact O-CB 3.28Å; E3566-S3570 WeakPolarHBondContact O-CB 3.39Å; E3566-S3570 PolarHBondContact O-N 3.04Å; E3566-S3570 PolarHBondContact O-OG 3.04Å; E3566-Y3578 HydrophobicContact CB-CD1 4.34Å; E3566-Y3578 HydrophobicContact CB-CE1 3.76Å; E3566-Y3578 HydrophobicContact CG-CD1 4.03Å; E3566-Y3578 HydrophobicContact CG-CE1 3.72Å; E3566-Q3580 PolarHBondContact OE1-NE2 3.24Å; E3566-Q3580 PolarHBondContact OE2-NE2 3.03Å; E3566-Q3580 VanDerWaalsContact OE2-NE2 3.12Å
3567E84.7Confident84.3Confident68.3333 Ų68.333346.5 Ų46.532%0.31928%0.275SS..Hα-helixtrans-65.7-41.6172.3-72-174.7162.300111.9V3563 E3564 A3569 S3570 S3571 K3724V3563-E3567 WeakPolarHBondContact O-CG 3.29Å; V3563-E3567 PolarHBondContact O-N 3.19Å; E3564-E3567 PolarHBondContact O-N 3.19Å; E3567-A3569 VanDerWaalsContact C-N 3.32Å; E3567-A3569 PolarHBondContact O-N 3.22Å; E3567-S3570 PolarHBondContact O-N 3.06Å; E3567-S3571 WeakPolarHBondContact O-CB 3.3Å; E3567-S3571 PolarHBondContact O-N 3.02Å; E3567-S3571 PolarHBondContact O-OG 3.1Å; E3567-K3724 VanDerWaalsContact OE1-CE 3.28Å; E3567-K3724 WeakPolarHBondContact OE1-CE 3.46Å; E3567-K3724 IonicContact OE1-NZ 3.49Å; E3567-K3724 PolarHBondContact OE1-NZ 3.32Å; E3567-K3724 IonicContact OE2-NZ 2.73Å
3568L86.5Confident85.3Confident18 Ų1841.5 Ų41.59%0.09425%0.253CS..Hα-helixtrans-63.7-41.6175.9-174.963.6000111.6L3538 L3542 E3564 V3565 S3571 T3572 W3604 W3636L3538-L3568 HydrophobicContact CB-CD2 4Å; L3542-L3568 HydrophobicContact CD1-CD1 3.8Å; L3542-L3568 HydrophobicContact CD1-CD2 4.17Å; L3542-L3568 HydrophobicContact CD1-CG 4.08Å; L3542-L3568 HydrophobicContact CD2-CD2 4.05Å; L3542-L3568 HydrophobicContact CG-CD2 4.12Å; E3564-L3568 VanDerWaalsContact O-CB 3.3Å; E3564-L3568 WeakPolarHBondContact O-CB 3.41Å; E3564-L3568 PolarHBondContact O-N 3.14Å; V3565-L3568 PolarHBondContact O-N 3.32Å; L3568-S3571 WeakPolarHBondContact CA-OG 3.34Å; L3568-S3571 PolarHBondContact O-OG 3.26Å; L3568-S3571 VanDerWaalsContact O-OG 3.1Å; L3568-T3572 HydrophobicContact CD1-CG2 4.07Å; L3568-T3572 VanDerWaalsContact O-CB 3.26Å; L3568-T3572 WeakPolarHBondContact O-CB 3.46Å; L3568-T3572 VanDerWaalsContact O-CG2 3.27Å; L3568-T3572 WeakPolarHBondContact O-CG2 3.43Å; L3568-T3572 PolarHBondContact O-N 3.03Å; L3568-T3572 VanDerWaalsContact O-N 3.09Å; L3568-T3572 PolarHBondContact O-OG1 3.25Å; L3568-W3604 HydrophobicContact CG-CZ3 4.32Å; L3568-W3636 HydrophobicContact CD2-CH2 4.02Å; L3568-W3636 HydrophobicContact CD2-CZ2 4.26Å
3569A88.9Confident86.6Confident0 Ų042.7 Ų42.70%026%0.258CS..Hα-helixtrans-66.7-42.5175.800000111.5V3565 E3566 E3567 S3571 T3572 V3573 G3574 Y3578 W3604V3565-A3569 VanDerWaalsContact O-CB 3.32Å; V3565-A3569 WeakPolarHBondContact O-CB 3.38Å; V3565-A3569 PolarHBondContact O-N 3.36Å; E3566-A3569 PolarHBondContact O-N 3.12Å; E3567-A3569 VanDerWaalsContact C-N 3.32Å; E3567-A3569 PolarHBondContact O-N 3.22Å; A3569-S3571 VanDerWaalsContact C-N 3.32Å; A3569-S3571 PolarHBondContact O-N 3.09Å; A3569-T3572 PolarHBondContact O-N 3.35Å; A3569-V3573 HydrophobicContact CB-CG2 4.28Å; A3569-V3573 VanDerWaalsContact O-CG2 3.26Å; A3569-V3573 WeakPolarHBondContact O-CG2 3.4Å; A3569-V3573 PolarHBondContact O-N 3.17Å; A3569-G3574 PolarHBondContact O-N 3.26Å; A3569-Y3578 HydrophobicContact CB-CD1 4.39Å; A3569-Y3578 HydrophobicContact CB-CD2 3.42Å; A3569-Y3578 HydrophobicContact CB-CE2 4.04Å; A3569-Y3578 HydrophobicContact CB-CG 3.65Å; A3569-W3604 HydrophobicContact CB-CD2 4.49Å; A3569-W3604 HydrophobicContact CB-CE3 3.69Å; A3569-W3604 HydrophobicContact CB-CZ3 4.04Å
3570S87.1Confident87.4Confident50.6667 Ų50.666745.5 Ų45.535%0.35427%0.268SS..Hα-helixtrans-62.5-37.5178.6-63.60000112.6E3566 E3567 G3574E3566-S3570 VanDerWaalsContact O-CB 3.28Å; E3566-S3570 WeakPolarHBondContact O-CB 3.39Å; E3566-S3570 PolarHBondContact O-N 3.04Å; E3566-S3570 PolarHBondContact O-OG 3.04Å; E3567-S3570 PolarHBondContact O-N 3.06Å; S3570-G3574 WeakPolarHBondContact O-CA 3.29Å; S3570-G3574 PolarHBondContact O-N 3.26Å
3571S84.6Confident88.1Confident86.3333 Ų86.333343.3 Ų43.360%0.60426%0.256SS*.Hα-helixtrans-78.5-30.1176.854.50000113.9E3567 L3568 A3569E3567-S3571 WeakPolarHBondContact O-CB 3.3Å; E3567-S3571 PolarHBondContact O-N 3.02Å; E3567-S3571 PolarHBondContact O-OG 3.1Å; L3568-S3571 WeakPolarHBondContact CA-OG 3.34Å; L3568-S3571 PolarHBondContact O-OG 3.26Å; L3568-S3571 VanDerWaalsContact O-OG 3.1Å; A3569-S3571 VanDerWaalsContact C-N 3.32Å; A3569-S3571 PolarHBondContact O-N 3.09Å
3572T86Confident88.4Confident68.6667 Ų68.666745.9 Ų45.942%0.42128%0.278SS..Hα-helixtrans-95.6-47-174-21.60000114L3542 L3568 A3569 W3604L3542-T3572 HydrophobicContact CD1-CG2 4.19Å; L3542-T3572 HydrophobicContact CD2-CG2 3.86Å; L3568-T3572 HydrophobicContact CD1-CG2 4.07Å; L3568-T3572 VanDerWaalsContact O-CB 3.26Å; L3568-T3572 WeakPolarHBondContact O-CB 3.46Å; L3568-T3572 VanDerWaalsContact O-CG2 3.27Å; L3568-T3572 WeakPolarHBondContact O-CG2 3.43Å; L3568-T3572 PolarHBondContact O-N 3.03Å; L3568-T3572 VanDerWaalsContact O-N 3.09Å; L3568-T3572 PolarHBondContact O-OG1 3.25Å; A3569-T3572 PolarHBondContact O-N 3.35Å; T3572-W3604 HydrophobicContact CG2-CH2 4.1Å; T3572-W3604 HydrophobicContact CG2-CZ2 3.72Å; T3572-W3604 WeakPolarHBondContact OG1-CH2 3.3Å
3573V87Confident88.7Confident36.3333 Ų36.333346 Ų4622%0.2228%0.278CS..THydrogen-bonded Turntrans-117.1-10.5-175.4-65.60000113.8A3569 N3577 W3604A3569-V3573 HydrophobicContact CB-CG2 4.28Å; A3569-V3573 VanDerWaalsContact O-CG2 3.26Å; A3569-V3573 WeakPolarHBondContact O-CG2 3.4Å; A3569-V3573 PolarHBondContact O-N 3.17Å; V3573-N3577 HydrophobicContact CB-CB 4.1Å; V3573-N3577 HydrophobicContact CG2-CB 4.14Å; V3573-N3577 PolarHBondContact O-ND2 3.02Å; V3573-W3604 HydrophobicContact CG1-CD2 4.29Å; V3573-W3604 HydrophobicContact CG1-CZ2 3.9Å; V3573-W3604 HydrophobicContact CG2-CD2 3.99Å; V3573-W3604 HydrophobicContact CG2-CE3 4.36Å; V3573-W3604 HydrophobicContact CG2-CG 4.1Å
3574G86.4Confident88.8Confident19 Ų1945.1 Ų45.120%0.19628%0.277CS..  trans84.2152.3-17700000113A3569 S3570 S3576 N3577A3569-G3574 PolarHBondContact O-N 3.26Å; S3570-G3574 WeakPolarHBondContact O-CA 3.29Å; S3570-G3574 PolarHBondContact O-N 3.26Å; G3574-S3576 VanDerWaalsContact C-N 3.27Å; G3574-S3576 PolarHBondContact O-N 3.01Å; G3574-N3577 PolarHBondContact O-N 3.18Å
3575P86.1Confident88.6Confident98 Ų9850.2 Ų50.264%0.63631%0.305SS*.G310 helixtrans-63.9-28.1-170.124.3-34.6000113.7N3577 Y3578P3575-N3577 PolarHBondContact O-N 3.29Å; P3575-Y3578 PolarHBondContact O-N 3.02Å
3576S87.9Confident88.3Confident86.6667 Ų86.666759 Ų5961%0.60635%0.346SS*.G310 helixtrans-70.4-15.9177.856.20000114.3G3574 K3603G3574-S3576 VanDerWaalsContact C-N 3.27Å; G3574-S3576 PolarHBondContact O-N 3.01Å; S3576-K3603 WeakPolarHBondContact O-CE 3.26Å; S3576-K3603 PolarHBondContact O-NZ 2.88Å
3577N91.5Very high88.3Confident60.6667 Ų60.666758.6 Ų58.632%0.32434%0.344SS..G310 helixtrans-106.48-178.2-65.2-36.4000112.9V3573 G3574 P3575 K3603 W3604V3573-N3577 HydrophobicContact CB-CB 4.1Å; V3573-N3577 HydrophobicContact CG2-CB 4.14Å; V3573-N3577 PolarHBondContact O-ND2 3.02Å; G3574-N3577 PolarHBondContact O-N 3.18Å; P3575-N3577 PolarHBondContact O-N 3.29Å; N3577-K3603 HydrophobicContact CB-CG 4.32Å; N3577-K3603 CarbonylContact O-C 3.58Å; N3577-K3603 WeakPolarHBondContact O-CA 3.34Å; N3577-K3603 VanDerWaalsContact O-CB 3.31Å; N3577-K3603 WeakPolarHBondContact O-CB 3.47Å; N3577-W3604 PolarHBondContact O-N 3.29Å
3578Y93.8Very high88.5Confident23 Ų2356.2 Ų56.29%0.0934%0.336CS..EExtended strand (participates in β ladder)trans-107.5134.8172.8-179.1-117000110.2V3565 E3566 A3569 P3575 Q3580 W3604 C3606V3565-Y3578 HydrophobicContact CG1-CE2 3.98Å; E3566-Y3578 HydrophobicContact CB-CD1 4.34Å; E3566-Y3578 HydrophobicContact CB-CE1 3.76Å; E3566-Y3578 HydrophobicContact CG-CD1 4.03Å; E3566-Y3578 HydrophobicContact CG-CE1 3.72Å; A3569-Y3578 HydrophobicContact CB-CD1 4.39Å; A3569-Y3578 HydrophobicContact CB-CD2 3.42Å; A3569-Y3578 HydrophobicContact CB-CE2 4.04Å; A3569-Y3578 HydrophobicContact CB-CG 3.65Å; P3575-Y3578 PolarHBondContact O-N 3.02Å; Y3578-Q3580 HydrophobicContact CE1-CB 4.13Å; Y3578-Q3580 HydrophobicContact CE1-CG 4.24Å; Y3578-W3604 HydrophobicContact CD2-CB 4.14Å; Y3578-C3606 HydrophobicContact CE2-CB 3.77Å; Y3578-C3606 VanDerWaalsContact OH-CB 3.31Å; Y3578-C3606 WeakPolarHBondContact OH-CB 3.32Å
3579V93.6Very high88.6Confident38.3333 Ų38.333361.5 Ų61.523%0.23236%0.364CS..EExtended strand (participates in β ladder)trans-132135.7175-1780000108L3594 K3603 W3604 L3605 C3606V3579-L3594 HydrophobicContact CG1-CD1 4.24Å; V3579-L3594 HydrophobicContact CG1-CD2 4.36Å; V3579-K3603 HydrophobicContact CG2-CD 4.31Å; V3579-W3604 PolarHBondContact N-O 3.28Å; V3579-L3605 HydrophobicContact CB-CD1 4.01Å; V3579-L3605 HydrophobicContact CG1-CD1 3.86Å; V3579-L3605 CarbonylContact O-C 3.59Å; V3579-L3605 VanDerWaalsContact O-CA 3.32Å; V3579-L3605 WeakPolarHBondContact O-CA 3.35Å; V3579-C3606 PolarHBondContact O-N 2.75Å
3580Q93.5Very high88.8Confident75.3333 Ų75.333365.3 Ų65.335%0.35238%0.384SS..EExtended strand (participates in β ladder)trans-127.9142.3175.760-178.8-29.300111.4E3566 Y3578 C3606E3566-Q3580 PolarHBondContact OE1-NE2 3.24Å; E3566-Q3580 PolarHBondContact OE2-NE2 3.03Å; E3566-Q3580 VanDerWaalsContact OE2-NE2 3.12Å; Y3578-Q3580 HydrophobicContact CE1-CB 4.13Å; Y3578-Q3580 HydrophobicContact CE1-CG 4.24Å; Q3580-C3606 CarbonylContact C-O 3.47Å; Q3580-C3606 VanDerWaalsContact CA-O 3.29Å; Q3580-C3606 WeakPolarHBondContact CA-O 3.31Å; Q3580-C3606 HydrophobicContact CB-CB 4.09Å
3581L93.7Very high89Confident22.6667 Ų22.666762.9 Ų62.912%0.11937%0.367CS..EExtended strand (participates in β ladder)trans-137.6134.3178.1179.565.6000109.6M3583 E3587 L3590 A3591 L3594 C3606 L3607 K3608L3581-M3583 HydrophobicContact CD2-SD 4.05Å; L3581-M3583 HydrophobicContact CG-SD 4.42Å; L3581-E3587 HydrophobicContact CD1-CB 4.46Å; L3581-E3587 HydrophobicContact CD1-CG 4.4Å; L3581-E3587 HydrophobicContact CD2-CB 4.37Å; L3581-L3590 HydrophobicContact CD1-CD2 4.12Å; L3581-L3590 HydrophobicContact CD2-CD2 4.49Å; L3581-L3590 HydrophobicContact CD2-CG 4.45Å; L3581-A3591 HydrophobicContact CD2-CB 3.76Å; L3581-L3594 HydrophobicContact CB-CD1 4.38Å; L3581-L3594 HydrophobicContact CD2-CD1 4.07Å; L3581-C3606 PolarHBondContact N-O 3.35Å; L3581-L3607 HydrophobicContact CB-CD2 3.92Å; L3581-L3607 HydrophobicContact CD2-CD2 4.21Å; L3581-L3607 CarbonylContact O-C 3.13Å; L3581-L3607 WeakPolarHBondContact O-CA 3.27Å; L3581-K3608 PolarHBondContact O-N 3.02Å
3582A92.2Very high89.4Confident56.3333 Ų56.333360.3 Ų60.347%0.46635%0.346SS..EExtended strand (participates in β ladder)trans-89.1121.6170.600000109.2G3584A3582-G3584 PolarHBondContact O-N 3.37Å
3583M92Very high89.7Confident5 Ų560.7 Ų60.73%0.02535%0.348CS..  trans-76.6130.1-176.6-61.7-60.1-62.800111.2L3581 A3591 L3607 K3608 V3613 W3616L3581-M3583 HydrophobicContact CD2-SD 4.05Å; L3581-M3583 HydrophobicContact CG-SD 4.42Å; M3583-A3591 HydrophobicContact CE-CB 3.66Å; M3583-A3591 HydrophobicContact SD-CB 3.74Å; M3583-L3607 HydrophobicContact CG-CB 4.07Å; M3583-L3607 HydrophobicContact SD-CB 4.2Å; M3583-L3607 HydrophobicContact SD-CD1 4.2Å; M3583-L3607 HydrophobicContact SD-CD2 4.02Å; M3583-L3607 HydrophobicContact SD-CG 4.37Å; M3583-K3608 WeakPolarHBondContact CB-O 3.34Å; M3583-K3608 VanDerWaalsContact CG-O 3.24Å; M3583-K3608 WeakPolarHBondContact CG-O 3.44Å; M3583-K3608 PolarHBondContact N-O 3.14Å; M3583-V3613 HydrophobicContact CB-CG1 4.21Å; M3583-V3613 HydrophobicContact CB-CG2 3.77Å; M3583-V3613 HydrophobicContact CE-CG2 4.05Å; M3583-V3613 HydrophobicContact CG-CG2 4.26Å; M3583-W3616 HydrophobicContact CE-CD2 4.18Å; M3583-W3616 HydrophobicContact CE-CE3 3.8Å; M3583-W3616 HydrophobicContact CE-CH2 3.74Å; M3583-W3616 HydrophobicContact CE-CZ2 4.11Å; M3583-W3616 HydrophobicContact CE-CZ3 3.57Å; M3583-W3616 HydrophobicContact SD-CZ3 4.43Å
3584G87.3Confident90Very high24.3333 Ų24.333360.3 Ų60.325%0.25135%0.345SS..  trans-139.5173.8163.700000109.2A3582 E3586 E3587A3582-G3584 PolarHBondContact O-N 3.37Å; G3584-E3586 PolarHBondContact O-N 3.26Å; G3584-E3586 VanDerWaalsContact O-N 3.14Å; G3584-E3587 PolarHBondContact O-N 3.22Å; G3584-E3587 VanDerWaalsContact O-N 3.16Å
3585N80.5Confident90.4Very high136.667 Ų136.66759.4 Ų59.473%0.73134%0.335SS*.THydrogen-bonded Turntrans-58.4-30.1-176.4-69.6-23.4000113.4C3588N3585-C3588 PolarHBondContact O-SG 3.05Å
3586E83.4Confident90.7Very high184.667 Ų184.66758.5 Ų58.586%0.86332%0.323SS*.THydrogen-bonded Turntrans-82.4-19-178.7-61.3-179.9-179.600113.3G3584G3584-E3586 PolarHBondContact O-N 3.26Å; G3584-E3586 VanDerWaalsContact O-N 3.14Å
3587E87.4Confident90.9Very high70.6667 Ų70.666758 Ų5833%0.3331%0.311SS..SBendtrans-92.6-1.4-173.4-63.3-64.5167.800113.3L3581 G3584 D3589 L3590 A3591L3581-E3587 HydrophobicContact CD1-CB 4.46Å; L3581-E3587 HydrophobicContact CD1-CG 4.4Å; L3581-E3587 HydrophobicContact CD2-CB 4.37Å; G3584-E3587 PolarHBondContact O-N 3.22Å; G3584-E3587 VanDerWaalsContact O-N 3.16Å; E3587-D3589 VanDerWaalsContact C-N 3.35Å; E3587-D3589 PolarHBondContact O-N 3.01Å; E3587-L3590 PolarHBondContact O-N 3.19Å; E3587-L3590 VanDerWaalsContact OE2-CD2 3.28Å; E3587-L3590 WeakPolarHBondContact OE2-CD2 3.39Å; E3587-A3591 WeakPolarHBondContact O-CB 3.28Å; E3587-A3591 PolarHBondContact O-N 3.26Å
3588C89Confident91Very high19.6667 Ų19.666755.2 Ų55.213%0.13330%0.296CS..Hα-helixtrans-58.7-41.4-175.4-72.80000113.5N3585 I3592 W3616N3585-C3588 PolarHBondContact O-SG 3.05Å; C3588-I3592 PolarHBondContact O-N 3.3Å; C3588-W3616 VanDerWaalsContact CB-CD1 3.48Å; C3588-W3616 HydrophobicContact CB-CD2 4.42Å; C3588-W3616 HydrophobicContact CB-CG 4.08Å; C3588-W3616 WeakPolarHBondContact O-CZ2 3.38Å; C3588-W3616 PolarHBondContact O-NE1 3.15Å; C3588-W3616 VanDerWaalsContact O-NE1 3.11Å; C3588-W3616 VanDerWaalsContact SG-CD1 3.56Å
3589D88.9Confident91Very high129 Ų12954.2 Ų54.269%0.6929%0.292SS*.Hα-helixtrans-75.6-37.6-179.9-67.8-27.6000111.7E3587 A3591 I3592 T3593E3587-D3589 VanDerWaalsContact C-N 3.35Å; E3587-D3589 PolarHBondContact O-N 3.01Å; D3589-A3591 VanDerWaalsContact C-N 3.32Å; D3589-A3591 PolarHBondContact O-N 3.1Å; D3589-I3592 PolarHBondContact O-N 2.89Å; D3589-T3593 PolarHBondContact O-N 3.3Å; D3589-T3593 VanDerWaalsContact O-N 3.13Å; D3589-T3593 PolarHBondContact O-OG1 3.37Å
3590L91.9Very high90.8Very high79.6667 Ų79.666757 Ų5742%0.41731%0.31SS..Hα-helixtrans-62.3-42.6173.3-177.464.5000110.5L3581 E3587 I3592 T3593 L3594L3581-L3590 HydrophobicContact CD1-CD2 4.12Å; L3581-L3590 HydrophobicContact CD2-CD2 4.49Å; L3581-L3590 HydrophobicContact CD2-CG 4.45Å; E3587-L3590 PolarHBondContact O-N 3.19Å; E3587-L3590 VanDerWaalsContact OE2-CD2 3.28Å; E3587-L3590 WeakPolarHBondContact OE2-CD2 3.39Å; L3590-I3592 VanDerWaalsContact C-N 3.32Å; L3590-I3592 PolarHBondContact O-N 3.3Å; L3590-T3593 WeakPolarHBondContact O-CB 3.43Å; L3590-T3593 PolarHBondContact O-N 3.08Å; L3590-T3593 VanDerWaalsContact O-N 3.14Å; L3590-T3593 PolarHBondContact O-OG1 3.34Å; L3590-L3594 HydrophobicContact CD1-CG 4.39Å; L3590-L3594 HydrophobicContact CD2-CD1 4.49Å; L3590-L3594 HydrophobicContact CG-CD1 4.1Å; L3590-L3594 HydrophobicContact CG-CG 4.34Å; L3590-L3594 WeakPolarHBondContact O-CG 3.35Å; L3590-L3594 PolarHBondContact O-N 3Å
3591A92.7Very high90.7Very high0 Ų059.3 Ų59.30%032%0.319CS..Hα-helixtrans-59.2-43178.100000112.4L3581 M3583 E3587 D3589 T3593 L3594 I3595 L3607 W3616L3581-A3591 HydrophobicContact CD2-CB 3.76Å; M3583-A3591 HydrophobicContact CE-CB 3.66Å; M3583-A3591 HydrophobicContact SD-CB 3.74Å; E3587-A3591 WeakPolarHBondContact O-CB 3.28Å; E3587-A3591 PolarHBondContact O-N 3.26Å; D3589-A3591 VanDerWaalsContact C-N 3.32Å; D3589-A3591 PolarHBondContact O-N 3.1Å; A3591-T3593 VanDerWaalsContact C-N 3.34Å; A3591-T3593 PolarHBondContact O-N 2.93Å; A3591-L3594 PolarHBondContact O-N 3.12Å; A3591-I3595 WeakPolarHBondContact O-CD1 3.22Å; A3591-I3595 VanDerWaalsContact O-CG1 3.23Å; A3591-I3595 WeakPolarHBondContact O-CG1 3.42Å; A3591-I3595 PolarHBondContact O-N 2.96Å; A3591-L3607 HydrophobicContact CB-CD1 4.49Å; A3591-L3607 HydrophobicContact CB-CD2 4.47Å; A3591-W3616 HydrophobicContact CB-CH2 3.72Å; A3591-W3616 HydrophobicContact CB-CZ2 3.58Å
3592I92.4Very high90.6Very high32 Ų3258.7 Ų58.716%0.16432%0.317CS..Hα-helixtrans-62-45175-65.6-155.2000110.8C3588 D3589 L3590 L3594 I3595 Q3596 W3616 M3620 E3623C3588-I3592 PolarHBondContact O-N 3.3Å; D3589-I3592 PolarHBondContact O-N 2.89Å; L3590-I3592 VanDerWaalsContact C-N 3.32Å; L3590-I3592 PolarHBondContact O-N 3.3Å; I3592-L3594 VanDerWaalsContact C-N 3.34Å; I3592-L3594 PolarHBondContact O-N 3.07Å; I3592-I3595 HydrophobicContact CD1-CD1 4.39Å; I3592-I3595 PolarHBondContact O-N 3.09Å; I3592-Q3596 WeakPolarHBondContact O-CG 3.27Å; I3592-Q3596 PolarHBondContact O-N 3.1Å; I3592-Q3596 VanDerWaalsContact O-N 3.08Å; I3592-W3616 HydrophobicContact CD1-CZ2 3.56Å; I3592-W3616 HydrophobicContact CG1-CZ2 3.88Å; I3592-M3620 HydrophobicContact CD1-CB 4.45Å; I3592-E3623 HydrophobicContact CD1-CB 4.3Å; I3592-E3623 HydrophobicContact CD1-CG 4.15Å; I3592-E3623 HydrophobicContact CG2-CG 3.97Å
3593T92.5Very high90.6Very high76 Ų7658.2 Ų58.247%0.46631%0.305SS..Hα-helixtrans-60.8-42.9178.4-23.50000111.7D3589 L3590 A3591 Q3596 E3597D3589-T3593 PolarHBondContact O-N 3.3Å; D3589-T3593 VanDerWaalsContact O-N 3.13Å; D3589-T3593 PolarHBondContact O-OG1 3.37Å; L3590-T3593 WeakPolarHBondContact O-CB 3.43Å; L3590-T3593 PolarHBondContact O-N 3.08Å; L3590-T3593 VanDerWaalsContact O-N 3.14Å; L3590-T3593 PolarHBondContact O-OG1 3.34Å; A3591-T3593 VanDerWaalsContact C-N 3.34Å; A3591-T3593 PolarHBondContact O-N 2.93Å; T3593-Q3596 PolarHBondContact O-N 3.03Å; T3593-E3597 WeakPolarHBondContact O-CB 3.29Å; T3593-E3597 PolarHBondContact O-N 3.07Å
3594L93.2Very high90.8Very high28.3333 Ų28.333358.4 Ų58.415%0.14831%0.305CS..Hα-helixtrans-67.8-35.9176.3-71.1177.3000112.6V3579 L3581 L3590 A3591 I3592 Q3596 E3597 C3598 L3605V3579-L3594 HydrophobicContact CG1-CD1 4.24Å; V3579-L3594 HydrophobicContact CG1-CD2 4.36Å; L3581-L3594 HydrophobicContact CB-CD1 4.38Å; L3581-L3594 HydrophobicContact CD2-CD1 4.07Å; L3590-L3594 HydrophobicContact CD1-CG 4.39Å; L3590-L3594 HydrophobicContact CD2-CD1 4.49Å; L3590-L3594 HydrophobicContact CG-CD1 4.1Å; L3590-L3594 HydrophobicContact CG-CG 4.34Å; L3590-L3594 WeakPolarHBondContact O-CG 3.35Å; L3590-L3594 PolarHBondContact O-N 3Å; A3591-L3594 PolarHBondContact O-N 3.12Å; I3592-L3594 VanDerWaalsContact C-N 3.34Å; I3592-L3594 PolarHBondContact O-N 3.07Å; L3594-Q3596 VanDerWaalsContact C-N 3.34Å; L3594-Q3596 PolarHBondContact O-N 3.19Å; L3594-E3597 PolarHBondContact O-N 3.23Å; L3594-C3598 VanDerWaalsContact O-CB 3.23Å; L3594-C3598 WeakPolarHBondContact O-CB 3.36Å; L3594-C3598 PolarHBondContact O-N 3.16Å; L3594-C3598 PolarHBondContact O-SG 2.97Å; L3594-C3598 VanDerWaalsContact O-SG 3.37Å; L3594-L3605 HydrophobicContact CB-CD1 4.25Å; L3594-L3605 HydrophobicContact CB-CD2 4.12Å; L3594-L3605 HydrophobicContact CD1-CD1 4.39Å
3595I93.8Very high91.2Very high0.333333 Ų0.33333357.2 Ų57.20%0.00229%0.293CS..Hα-helixtrans-60.3-48173.8-72.6163.8000109.7A3591 I3592 A3599 L3605 L3607 W3616 M3620 L3624 L3627A3591-I3595 WeakPolarHBondContact O-CD1 3.22Å; A3591-I3595 VanDerWaalsContact O-CG1 3.23Å; A3591-I3595 WeakPolarHBondContact O-CG1 3.42Å; A3591-I3595 PolarHBondContact O-N 2.96Å; I3592-I3595 HydrophobicContact CD1-CD1 4.39Å; I3592-I3595 PolarHBondContact O-N 3.09Å; I3595-A3599 WeakPolarHBondContact O-CB 3.42Å; I3595-A3599 PolarHBondContact O-N 3.15Å; I3595-L3605 HydrophobicContact CB-CD2 4.3Å; I3595-L3605 HydrophobicContact CG1-CD2 3.53Å; I3595-L3607 HydrophobicContact CD1-CD1 4.28Å; I3595-W3616 HydrophobicContact CD1-CH2 4.17Å; I3595-W3616 HydrophobicContact CD1-CZ2 4.34Å; I3595-M3620 HydrophobicContact CD1-CG 3.65Å; I3595-M3620 HydrophobicContact CD1-SD 4.16Å; I3595-L3624 HydrophobicContact CG2-CD2 3.85Å; I3595-L3627 HydrophobicContact CG2-CD1 3.74Å
3596Q92.9Very high91.9Very high79 Ų7950.7 Ų50.737%0.36926%0.258SS..Hα-helixtrans-63.3-43.6178.5-66176.6-6.400111.9I3592 T3593 L3594 T3600 E3623 L3627I3592-Q3596 WeakPolarHBondContact O-CG 3.27Å; I3592-Q3596 PolarHBondContact O-N 3.1Å; I3592-Q3596 VanDerWaalsContact O-N 3.08Å; T3593-Q3596 PolarHBondContact O-N 3.03Å; L3594-Q3596 VanDerWaalsContact C-N 3.34Å; L3594-Q3596 PolarHBondContact O-N 3.19Å; Q3596-T3600 WeakPolarHBondContact O-CG2 3.32Å; Q3596-T3600 PolarHBondContact O-N 3.33Å; Q3596-T3600 VanDerWaalsContact O-N 3.13Å; Q3596-T3600 PolarHBondContact O-OG1 3.1Å; Q3596-E3623 PolarHBondContact NE2-OE2 3.44Å; Q3596-L3627 HydrophobicContact CG-CD1 4.16Å; Q3596-L3627 HydrophobicContact CG-CD2 4.24Å
3597E93Very high92.4Very high77.3333 Ų77.333341.9 Ų41.936%0.36122%0.217SC..Hα-helixtrans-66.1-46.9178-171.6-175.5159.800112.2T3593 L3594 T3600 K3601T3593-E3597 WeakPolarHBondContact O-CB 3.29Å; T3593-E3597 PolarHBondContact O-N 3.07Å; L3594-E3597 PolarHBondContact O-N 3.23Å; E3597-T3600 PolarHBondContact O-N 3.32Å; E3597-T3600 PolarHBondContact O-OG1 3.27Å; E3597-K3601 HydrophobicContact CG-CD 3.85Å; E3597-K3601 HydrophobicContact CG-CG 4.37Å; E3597-K3601 WeakPolarHBondContact O-CB 3.46Å; E3597-K3601 WeakPolarHBondContact O-CG 3.33Å; E3597-K3601 PolarHBondContact O-N 3.3Å; E3597-K3601 WeakPolarHBondContact OE1-CE 3.43Å; E3597-K3601 IonicContact OE1-NZ 3.08Å; E3597-K3601 PolarHBondContact OE1-NZ 2.96Å; E3597-K3601 IonicContact OE2-NZ 2.82Å
3598C93.6Very high92.7Very high1 Ų140.5 Ų40.51%0.00721%0.21CC..Hα-helixtrans-68.6-37.6-179.2-700000111.6L3594 T3600 K3601 G3602 K3603 L3605 F3633L3594-C3598 VanDerWaalsContact O-CB 3.23Å; L3594-C3598 WeakPolarHBondContact O-CB 3.36Å; L3594-C3598 PolarHBondContact O-N 3.16Å; L3594-C3598 PolarHBondContact O-SG 2.97Å; L3594-C3598 VanDerWaalsContact O-SG 3.37Å; C3598-T3600 VanDerWaalsContact C-N 3.34Å; C3598-T3600 PolarHBondContact O-N 3.33Å; C3598-K3601 PolarHBondContact O-N 2.83Å; C3598-G3602 WeakPolarHBondContact O-CA 3.26Å; C3598-G3602 PolarHBondContact O-N 3.33Å; C3598-K3603 HydrophobicContact CB-CB 4.09Å; C3598-K3603 PolarHBondContact O-N 3.23Å; C3598-L3605 HydrophobicContact CB-CB 4.13Å; C3598-F3633 VanDerWaalsContact C-CD2 3.43Å; C3598-F3633 HydrophobicContact CB-CD2 4.07Å; C3598-F3633 HydrophobicContact CB-CE2 3.75Å; C3598-F3633 WeakPolarHBondContact O-CD2 3.41Å
3599A92.4Very high92.8Very high1.66667 Ų1.6666742.8 Ų42.81%0.01422%0.221CC..Hα-helixtrans-64.7-35.9176.800000112.8I3595 L3627 P3629 T3630 F3633I3595-A3599 WeakPolarHBondContact O-CB 3.42Å; I3595-A3599 PolarHBondContact O-N 3.15Å; A3599-L3627 HydrophobicContact CB-CD1 4.21Å; A3599-L3627 HydrophobicContact CB-CD2 4.49Å; A3599-P3629 HydrophobicContact CB-CB 4.11Å; A3599-P3629 WeakPolarHBondContact O-CA 3.45Å; A3599-T3630 PolarHBondContact O-N 3.16Å; A3599-T3630 VanDerWaalsContact O-N 3.14Å; A3599-T3630 PolarHBondContact O-OG1 3.35Å; A3599-F3633 VanDerWaalsContact CA-CD2 3.47Å; A3599-F3633 HydrophobicContact CB-CD1 4.46Å; A3599-F3633 HydrophobicContact CB-CD2 4.21Å; A3599-F3633 HydrophobicContact CB-CE1 4.45Å; A3599-F3633 HydrophobicContact CB-CE2 4.18Å; A3599-F3633 HydrophobicContact CB-CG 4.38Å; A3599-F3633 HydrophobicContact CB-CZ 4.28Å
3600T91.4Very high92.9Very high97 Ų9736.6 Ų36.660%0.59519%0.188SC*.Hα-helixtrans-79.7-35177.551.30000113Q3596 E3597 C3598Q3596-T3600 WeakPolarHBondContact O-CG2 3.32Å; Q3596-T3600 PolarHBondContact O-N 3.33Å; Q3596-T3600 VanDerWaalsContact O-N 3.13Å; Q3596-T3600 PolarHBondContact O-OG1 3.1Å; E3597-T3600 PolarHBondContact O-N 3.32Å; E3597-T3600 PolarHBondContact O-OG1 3.27Å; C3598-T3600 VanDerWaalsContact C-N 3.34Å; C3598-T3600 PolarHBondContact O-N 3.33Å
3601K91.1Very high92.8Very high125 Ų12534.7 Ų34.754%0.54318%0.177SC..Hα-helixtrans-89-7.1178.2-65.2-177.1-174.1175.30114.3E3597 C3598 K3603E3597-K3601 HydrophobicContact CG-CD 3.85Å; E3597-K3601 HydrophobicContact CG-CG 4.37Å; E3597-K3601 WeakPolarHBondContact O-CB 3.46Å; E3597-K3601 WeakPolarHBondContact O-CG 3.33Å; E3597-K3601 PolarHBondContact O-N 3.3Å; E3597-K3601 WeakPolarHBondContact OE1-CE 3.43Å; E3597-K3601 IonicContact OE1-NZ 3.08Å; E3597-K3601 PolarHBondContact OE1-NZ 2.96Å; E3597-K3601 IonicContact OE2-NZ 2.82Å; C3598-K3601 PolarHBondContact O-N 2.83Å; K3601-K3603 VanDerWaalsContact C-N 3.32Å; K3601-K3603 HydrophobicContact CB-CD 4.5Å; K3601-K3603 HydrophobicContact CB-CG 4.13Å; K3601-K3603 PolarHBondContact O-N 3.08Å
3602G90.3Very high92.8Very high8.5 Ų8.539.3 Ų39.39%0.08820%0.201CC..THydrogen-bonded Turntrans68.929.6-178.600000115.2C3598 T3630 S3632C3598-G3602 WeakPolarHBondContact O-CA 3.26Å; C3598-G3602 PolarHBondContact O-N 3.33Å; G3602-T3630 WeakPolarHBondContact CA-OG1 3.36Å; G3602-T3630 PolarHBondContact N-OG1 3.34Å; G3602-S3632 VanDerWaalsContact CA-OG 3.26Å; G3602-S3632 WeakPolarHBondContact CA-OG 3.37Å; G3602-S3632 CarbonylContact O-C 3.48Å; G3602-S3632 PolarHBondContact O-OG 3.34Å
3603K93.7Very high92.7Very high46 Ų4638.1 Ų38.120%0.220%0.195CC..  trans-86.6165.2178.1-68.4-166.7175.7-160.70112S3576 N3577 V3579 C3598 K3601 F3633 R3634S3576-K3603 WeakPolarHBondContact O-CE 3.26Å; S3576-K3603 PolarHBondContact O-NZ 2.88Å; N3577-K3603 HydrophobicContact CB-CG 4.32Å; N3577-K3603 CarbonylContact O-C 3.58Å; N3577-K3603 WeakPolarHBondContact O-CA 3.34Å; N3577-K3603 VanDerWaalsContact O-CB 3.31Å; N3577-K3603 WeakPolarHBondContact O-CB 3.47Å; V3579-K3603 HydrophobicContact CG2-CD 4.31Å; C3598-K3603 HydrophobicContact CB-CB 4.09Å; C3598-K3603 PolarHBondContact O-N 3.23Å; K3601-K3603 VanDerWaalsContact C-N 3.32Å; K3601-K3603 HydrophobicContact CB-CD 4.5Å; K3601-K3603 HydrophobicContact CB-CG 4.13Å; K3601-K3603 PolarHBondContact O-N 3.08Å; K3603-F3633 WeakPolarHBondContact O-CA 3.33Å; K3603-F3633 WeakPolarHBondContact O-CD2 3.42Å; K3603-R3634 PolarHBondContact O-N 3.08Å
3604W94.8Very high92.5Very high9.5 Ų9.535.7 Ų35.74%0.03618%0.18CC..EExtended strand (participates in β ladder)trans-93.7133.2169.8-70.814.4000110L3542 L3568 A3569 T3572 V3573 N3577 Y3578 V3579 S3632 R3634 W3636L3542-W3604 HydrophobicContact CD1-CH2 3.81Å; L3542-W3604 VanDerWaalsContact CD1-CH2 3.49Å; L3542-W3604 HydrophobicContact CD1-CZ2 3.53Å; L3542-W3604 HydrophobicContact CD2-CH2 3.85Å; L3542-W3604 VanDerWaalsContact CD2-CH2 3.43Å; L3542-W3604 HydrophobicContact CD2-CZ2 4.04Å; L3542-W3604 HydrophobicContact CD2-CZ3 4.15Å; L3542-W3604 HydrophobicContact CG-CH2 4.45Å; L3568-W3604 HydrophobicContact CG-CZ3 4.32Å; A3569-W3604 HydrophobicContact CB-CD2 4.49Å; A3569-W3604 HydrophobicContact CB-CE3 3.69Å; A3569-W3604 HydrophobicContact CB-CZ3 4.04Å; T3572-W3604 HydrophobicContact CG2-CH2 4.1Å; T3572-W3604 HydrophobicContact CG2-CZ2 3.72Å; T3572-W3604 WeakPolarHBondContact OG1-CH2 3.3Å; V3573-W3604 HydrophobicContact CG1-CD2 4.29Å; V3573-W3604 HydrophobicContact CG1-CZ2 3.9Å; V3573-W3604 HydrophobicContact CG2-CD2 3.99Å; V3573-W3604 HydrophobicContact CG2-CE3 4.36Å; V3573-W3604 HydrophobicContact CG2-CG 4.1Å; N3577-W3604 PolarHBondContact O-N 3.29Å; Y3578-W3604 HydrophobicContact CD2-CB 4.14Å; V3579-W3604 PolarHBondContact N-O 3.28Å; W3604-S3632 VanDerWaalsContact CD1-O 3.29Å; W3604-S3632 PolarHBondContact NE1-O 3.06Å; W3604-S3632 VanDerWaalsContact NE1-O 3.12Å; W3604-R3634 WeakPolarHBondContact CA-O 3.24Å; W3604-R3634 HydrophobicContact CD2-CB 4.16Å; W3604-R3634 HydrophobicContact CD2-CG 4.48Å; W3604-R3634 HydrophobicContact CG-CB 4Å; W3604-R3634 HydrophobicContact CZ2-CG 4.35Å; W3604-W3636 AromaticContact CD2-NE1 3.77Å; W3604-W3636 HydrophobicContact CE3-CZ2 4.29Å; W3604-W3636 AromaticContact CE3-NE1 3.35Å; W3604-W3636 VanDerWaalsContact CE3-NE1 3.33Å; W3604-W3636 HydrophobicContact CH2-CZ2 4.37Å; W3604-W3636 AromaticContact CZ3-CZ2 3.91Å; W3604-W3636 HydrophobicContact CZ3-CZ2 3.91Å; W3604-W3636 AromaticContact CZ3-NE1 3.89Å
3605L95.2Very high92.2Very high0 Ų037.6 Ų37.60%021%0.207CC..EExtended strand (participates in β ladder)trans-117.7131.8176.518060.7000109.7V3579 L3594 I3595 C3598 L3607 R3634 L3635 W3636V3579-L3605 HydrophobicContact CB-CD1 4.01Å; V3579-L3605 HydrophobicContact CG1-CD1 3.86Å; V3579-L3605 CarbonylContact O-C 3.59Å; V3579-L3605 VanDerWaalsContact O-CA 3.32Å; V3579-L3605 WeakPolarHBondContact O-CA 3.35Å; L3594-L3605 HydrophobicContact CB-CD1 4.25Å; L3594-L3605 HydrophobicContact CB-CD2 4.12Å; L3594-L3605 HydrophobicContact CD1-CD1 4.39Å; I3595-L3605 HydrophobicContact CB-CD2 4.3Å; I3595-L3605 HydrophobicContact CG1-CD2 3.53Å; C3598-L3605 HydrophobicContact CB-CB 4.13Å; L3605-L3607 HydrophobicContact CD1-CD2 4.08Å; L3605-L3607 HydrophobicContact CD2-CD2 4.12Å; L3605-L3607 HydrophobicContact CG-CD2 3.97Å; L3605-L3607 HydrophobicContact CG-CG 4.37Å; L3605-R3634 PolarHBondContact N-O 3.18Å; L3605-L3635 HydrophobicContact CB-CD1 4.01Å; L3605-L3635 HydrophobicContact CD2-CD1 3.98Å; L3605-L3635 HydrophobicContact CG-CD1 3.98Å; L3605-L3635 CarbonylContact O-C 3.5Å; L3605-L3635 WeakPolarHBondContact O-CA 3.44Å; L3605-W3636 PolarHBondContact O-N 3.19Å
3606C95.3Very high92.1Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-118.2114.3177.3-175.60000110.5Y3578 V3579 Q3580 L3581 W3636 I3638Y3578-C3606 HydrophobicContact CE2-CB 3.77Å; Y3578-C3606 VanDerWaalsContact OH-CB 3.31Å; Y3578-C3606 WeakPolarHBondContact OH-CB 3.32Å; V3579-C3606 PolarHBondContact O-N 2.75Å; Q3580-C3606 CarbonylContact C-O 3.47Å; Q3580-C3606 VanDerWaalsContact CA-O 3.29Å; Q3580-C3606 WeakPolarHBondContact CA-O 3.31Å; Q3580-C3606 HydrophobicContact CB-CB 4.09Å; L3581-C3606 PolarHBondContact N-O 3.35Å; C3606-W3636 CarbonylContact C-O 3.27Å; C3606-W3636 VanDerWaalsContact CA-O 3.29Å; C3606-W3636 WeakPolarHBondContact CA-O 3.48Å; C3606-W3636 HydrophobicContact CB-CB 4.23Å; C3606-I3638 VanDerWaalsContact SG-CD1 3.54Å
3607L95.2Very high91.9Very high0 Ų035.1 Ų35.10%019%0.194CC..EExtended strand (participates in β ladder)trans-103.2118.9176.5-54.8-176.2000109.8L3581 M3583 A3591 I3595 L3605 W3616 M3620 L3635 W3636 L3637 I3638L3581-L3607 HydrophobicContact CB-CD2 3.92Å; L3581-L3607 HydrophobicContact CD2-CD2 4.21Å; L3581-L3607 CarbonylContact O-C 3.13Å; L3581-L3607 WeakPolarHBondContact O-CA 3.27Å; M3583-L3607 HydrophobicContact CG-CB 4.07Å; M3583-L3607 HydrophobicContact SD-CB 4.2Å; M3583-L3607 HydrophobicContact SD-CD1 4.2Å; M3583-L3607 HydrophobicContact SD-CD2 4.02Å; M3583-L3607 HydrophobicContact SD-CG 4.37Å; A3591-L3607 HydrophobicContact CB-CD1 4.49Å; A3591-L3607 HydrophobicContact CB-CD2 4.47Å; I3595-L3607 HydrophobicContact CD1-CD1 4.28Å; L3605-L3607 HydrophobicContact CD1-CD2 4.08Å; L3605-L3607 HydrophobicContact CD2-CD2 4.12Å; L3605-L3607 HydrophobicContact CG-CD2 3.97Å; L3605-L3607 HydrophobicContact CG-CG 4.37Å; L3607-W3616 HydrophobicContact CD1-CH2 3.94Å; L3607-W3616 HydrophobicContact CD1-CZ3 4.27Å; L3607-M3620 HydrophobicContact CD1-SD 4.03Å; L3607-L3635 HydrophobicContact CD1-CD1 4.27Å; L3607-L3635 HydrophobicContact CG-CD1 4.2Å; L3607-W3636 PolarHBondContact N-O 3.13Å; L3607-L3637 HydrophobicContact CB-CD2 3.82Å; L3607-L3637 HydrophobicContact CD1-CD2 3.85Å; L3607-L3637 HydrophobicContact CG-CD2 4.05Å; L3607-L3637 WeakPolarHBondContact O-CA 3.37Å; L3607-I3638 PolarHBondContact O-N 3.09Å
3608K93.2Very high91.6Very high40.5 Ų40.533.2 Ų33.218%0.17619%0.188CC..EExtended strand (participates in β ladder)trans-96.8158.2-178.8-46.6-173.1-176.9-174.20111.9S3562 L3581 M3583 L3610 I3638S3562-K3608 WeakPolarHBondContact OG-CD 3.32Å; S3562-K3608 WeakPolarHBondContact OG-CE 3.38Å; S3562-K3608 PolarHBondContact OG-NZ 3.04Å; S3562-K3608 VanDerWaalsContact OG-NZ 3.08Å; L3581-K3608 PolarHBondContact O-N 3.02Å; M3583-K3608 WeakPolarHBondContact CB-O 3.34Å; M3583-K3608 VanDerWaalsContact CG-O 3.24Å; M3583-K3608 WeakPolarHBondContact CG-O 3.44Å; M3583-K3608 PolarHBondContact N-O 3.14Å; K3608-L3610 VanDerWaalsContact C-N 3.31Å; K3608-L3610 PolarHBondContact O-N 3.02Å; K3608-I3638 CarbonylContact C-O 3.57Å; K3608-I3638 HydrophobicContact CG-CD1 4.29Å
3609N90.8Very high91.3Very high67.5 Ų67.536.2 Ų36.236%0.36121%0.21SC..  trans59.735.5172.9-54.8-16.9000114.8H3611 L3612 I3638N3609-H3611 PolarHBondContact O-N 3.04Å; N3609-H3611 VanDerWaalsContact O-N 3.08Å; N3609-L3612 HydrophobicContact CB-CD1 3.84Å; N3609-L3612 HydrophobicContact CB-CG 4.22Å; N3609-L3612 WeakPolarHBondContact O-CB 3.36Å; N3609-L3612 PolarHBondContact O-N 3.2Å; N3609-L3612 VanDerWaalsContact O-N 3.08Å; N3609-I3638 PolarHBondContact N-O 3.14Å
3610L92.1Very high91.2Very high0 Ų036.1 Ų36.10%021%0.209CC..G310 helixtrans-58.2-26.3-176.7-165.371.6000113.4L3552 K3608 L3612 V3613 W3616 V3617 L3637 I3638 F3645 F3649L3552-L3610 HydrophobicContact CD1-CD2 4.48Å; K3608-L3610 VanDerWaalsContact C-N 3.31Å; K3608-L3610 PolarHBondContact O-N 3.02Å; L3610-L3612 PolarHBondContact O-N 2.9Å; L3610-L3612 VanDerWaalsContact O-N 3.13Å; L3610-V3613 HydrophobicContact CD1-CG2 4.02Å; L3610-V3613 PolarHBondContact O-N 3.24Å; L3610-W3616 HydrophobicContact CD1-CE3 4.26Å; L3610-W3616 HydrophobicContact CD1-CZ3 3.96Å; L3610-V3617 HydrophobicContact CD1-CG2 4.2Å; L3610-V3617 HydrophobicContact CD2-CG2 4.21Å; L3610-V3617 HydrophobicContact CG-CG2 4.11Å; L3610-L3637 HydrophobicContact CD2-CB 4.39Å; L3610-L3637 HydrophobicContact CD2-CD1 4.28Å; L3610-I3638 PolarHBondContact N-O 3.11Å; L3610-I3638 VanDerWaalsContact N-O 3.16Å; L3610-F3645 HydrophobicContact CB-CZ 4.32Å; L3610-F3645 HydrophobicContact CD2-CE1 3.75Å; L3610-F3645 HydrophobicContact CD2-CZ 4.15Å; L3610-F3645 HydrophobicContact CG-CE1 3.95Å; L3610-F3645 HydrophobicContact CG-CZ 4.19Å; L3610-F3649 HydrophobicContact CD2-CE1 4.1Å; L3610-F3649 HydrophobicContact CD2-CZ 3.74Å
3611H90.2Very high91Very high38 Ų3832.3 Ų32.318%0.17618%0.184CC..G310 helixtrans-57.1-21.9174.862.3-87.9000114.2N3609 T3639 E3640 N3642N3609-H3611 PolarHBondContact O-N 3.04Å; N3609-H3611 VanDerWaalsContact O-N 3.08Å; H3611-T3639 WeakPolarHBondContact CB-OG1 3.44Å; H3611-T3639 PolarHBondContact N-OG1 3.42Å; H3611-T3639 VanDerWaalsContact N-OG1 3.14Å; H3611-E3640 HydrophobicContact CB-CB 4.43Å; H3611-E3640 PolarHBondContact ND1-N 3.02Å; H3611-N3642 HydrophobicContact CB-CB 4.12Å; H3611-N3642 PolarHBondContact O-ND2 3.24Å
3612L91.1Very high90.7Very high98 Ų9828.2 Ų28.251%0.51317%0.174SC..G310 helixtrans-77.5-25.3176.5-59.7179.2000112.9N3609 L3610N3609-L3612 HydrophobicContact CB-CD1 3.84Å; N3609-L3612 HydrophobicContact CB-CG 4.22Å; N3609-L3612 WeakPolarHBondContact O-CB 3.36Å; N3609-L3612 PolarHBondContact O-N 3.2Å; N3609-L3612 VanDerWaalsContact O-N 3.08Å; L3610-L3612 PolarHBondContact O-N 2.9Å; L3610-L3612 VanDerWaalsContact O-N 3.13Å
3613V91.1Very high90.5Very high5.5 Ų5.529.2 Ų29.23%0.03318%0.177CC..  trans-122.436.4-170.5-64.30000112.7M3583 L3610 G3615 W3616M3583-V3613 HydrophobicContact CB-CG1 4.21Å; M3583-V3613 HydrophobicContact CB-CG2 3.77Å; M3583-V3613 HydrophobicContact CE-CG2 4.05Å; M3583-V3613 HydrophobicContact CG-CG2 4.26Å; L3610-V3613 HydrophobicContact CD1-CG2 4.02Å; L3610-V3613 PolarHBondContact O-N 3.24Å; V3613-G3615 PolarHBondContact O-N 2.89Å; V3613-G3615 VanDerWaalsContact O-N 3.12Å; V3613-W3616 HydrophobicContact CB-CB 4.34Å; V3613-W3616 HydrophobicContact CG2-CE3 4.24Å; V3613-W3616 WeakPolarHBondContact O-CB 3.44Å; V3613-W3616 PolarHBondContact O-N 3.29Å
3614T88.9Confident90.2Very high26.5 Ų26.528.8 Ų28.816%0.16318%0.176CC..THydrogen-bonded Turntrans-54.7-30.3-176.350.20000114.5W3616 V3617 N3642 N3644 F3645T3614-W3616 VanDerWaalsContact C-N 3.33Å; T3614-W3616 PolarHBondContact O-N 3.36Å; T3614-V3617 PolarHBondContact O-N 3.28Å; T3614-N3642 HydrophobicContact CG2-CB 4.35Å; T3614-N3644 HydrophobicContact CG2-CB 4.1Å; T3614-F3645 HydrophobicContact CG2-CD1 4.17Å; T3614-F3645 HydrophobicContact CG2-CD2 4.48Å; T3614-F3645 HydrophobicContact CG2-CE1 3.91Å; T3614-F3645 HydrophobicContact CG2-CE2 4.38Å; T3614-F3645 HydrophobicContact CG2-CG 4.47Å; T3614-F3645 HydrophobicContact CG2-CZ 4.02Å
3615G86.4Confident89.7Confident68 Ų6834 Ų3470%0.70121%0.205SC*.THydrogen-bonded Turntrans-70.8-19.6175.300000115.5V3613 P3618V3613-G3615 PolarHBondContact O-N 2.89Å; V3613-G3615 VanDerWaalsContact O-N 3.12Å; G3615-P3618 VanDerWaalsContact O-CD 3.32Å; G3615-P3618 WeakPolarHBondContact O-CD 3.33Å
3616W90.5Very high89.2Confident24.5 Ų24.542.6 Ų42.69%0.09324%0.237CC..THydrogen-bonded Turntrans-86-23.7178.3170.184.5000113M3583 C3588 A3591 I3592 I3595 L3607 L3610 V3613 T3614 P3618 S3619 M3620M3583-W3616 HydrophobicContact CE-CD2 4.18Å; M3583-W3616 HydrophobicContact CE-CE3 3.8Å; M3583-W3616 HydrophobicContact CE-CH2 3.74Å; M3583-W3616 HydrophobicContact CE-CZ2 4.11Å; M3583-W3616 HydrophobicContact CE-CZ3 3.57Å; M3583-W3616 HydrophobicContact SD-CZ3 4.43Å; C3588-W3616 VanDerWaalsContact CB-CD1 3.48Å; C3588-W3616 HydrophobicContact CB-CD2 4.42Å; C3588-W3616 HydrophobicContact CB-CG 4.08Å; C3588-W3616 WeakPolarHBondContact O-CZ2 3.38Å; C3588-W3616 PolarHBondContact O-NE1 3.15Å; C3588-W3616 VanDerWaalsContact O-NE1 3.11Å; C3588-W3616 VanDerWaalsContact SG-CD1 3.56Å; A3591-W3616 HydrophobicContact CB-CH2 3.72Å; A3591-W3616 HydrophobicContact CB-CZ2 3.58Å; I3592-W3616 HydrophobicContact CD1-CZ2 3.56Å; I3592-W3616 HydrophobicContact CG1-CZ2 3.88Å; I3595-W3616 HydrophobicContact CD1-CH2 4.17Å; I3595-W3616 HydrophobicContact CD1-CZ2 4.34Å; L3607-W3616 HydrophobicContact CD1-CH2 3.94Å; L3607-W3616 HydrophobicContact CD1-CZ3 4.27Å; L3610-W3616 HydrophobicContact CD1-CE3 4.26Å; L3610-W3616 HydrophobicContact CD1-CZ3 3.96Å; V3613-W3616 HydrophobicContact CB-CB 4.34Å; V3613-W3616 HydrophobicContact CG2-CE3 4.24Å; V3613-W3616 WeakPolarHBondContact O-CB 3.44Å; V3613-W3616 PolarHBondContact O-N 3.29Å; T3614-W3616 VanDerWaalsContact C-N 3.33Å; T3614-W3616 PolarHBondContact O-N 3.36Å; W3616-P3618 VanDerWaalsContact C-CD 3.44Å; W3616-P3618 VanDerWaalsContact C-N 3.32Å; W3616-P3618 VanDerWaalsContact O-N 3.14Å; W3616-S3619 WeakPolarHBondContact O-CA 3.32Å; W3616-S3619 VanDerWaalsContact O-CB 3.31Å; W3616-S3619 WeakPolarHBondContact O-CB 3.36Å; W3616-S3619 PolarHBondContact O-N 3Å; W3616-M3620 HydrophobicContact CD2-CB 4.38Å; W3616-M3620 HydrophobicContact CE3-CB 4.14Å; W3616-M3620 HydrophobicContact CH2-CB 3.74Å; W3616-M3620 HydrophobicContact CH2-CG 3.67Å; W3616-M3620 HydrophobicContact CH2-SD 3.81Å; W3616-M3620 HydrophobicContact CZ2-CB 4Å; W3616-M3620 HydrophobicContact CZ2-CG 4.26Å; W3616-M3620 HydrophobicContact CZ3-CB 3.81Å; W3616-M3620 HydrophobicContact CZ3-CG 3.94Å; W3616-M3620 HydrophobicContact CZ3-SD 3.63Å; W3616-M3620 PolarHBondContact O-N 3Å
3617V89.9Confident88.7Confident2 Ų244.5 Ų44.51%0.01225%0.247CC..Hα-helixtrans-49.4-40.5-178.4178.70000114.2L3610 T3614 S3619 M3620 E3621 F3645 F3649L3610-V3617 HydrophobicContact CD1-CG2 4.2Å; L3610-V3617 HydrophobicContact CD2-CG2 4.21Å; L3610-V3617 HydrophobicContact CG-CG2 4.11Å; T3614-V3617 PolarHBondContact O-N 3.28Å; V3617-S3619 VanDerWaalsContact C-N 3.3Å; V3617-S3619 PolarHBondContact O-N 3.17Å; V3617-M3620 HydrophobicContact CG1-CE 4.15Å; V3617-M3620 WeakPolarHBondContact O-CB 3.24Å; V3617-M3620 PolarHBondContact O-N 3.2Å; V3617-E3621 PolarHBondContact O-N 3.1Å; V3617-F3645 HydrophobicContact CG2-CD1 4.23Å; V3617-F3645 HydrophobicContact CG2-CE1 3.97Å; V3617-F3649 HydrophobicContact CG1-CB 3.9Å; V3617-F3649 HydrophobicContact CG1-CD1 3.68Å; V3617-F3649 HydrophobicContact CG1-CD2 3.61Å; V3617-F3649 HydrophobicContact CG1-CE1 4.07Å; V3617-F3649 HydrophobicContact CG1-CE2 4.04Å; V3617-F3649 HydrophobicContact CG1-CG 3.42Å; V3617-F3649 VanDerWaalsContact CG1-CG 3.44Å; V3617-F3649 HydrophobicContact CG1-CZ 4.24Å
3618P87.1Confident88.2Confident37 Ų3754.3 Ų54.324%0.2429%0.29CS..Hα-helixtrans-65.5-31.2177.7-21.735.5000113.5G3615 W3616 A3622 Q3646G3615-P3618 VanDerWaalsContact O-CD 3.32Å; G3615-P3618 WeakPolarHBondContact O-CD 3.33Å; W3616-P3618 VanDerWaalsContact C-CD 3.44Å; W3616-P3618 VanDerWaalsContact C-N 3.32Å; W3616-P3618 VanDerWaalsContact O-N 3.14Å; P3618-A3622 WeakPolarHBondContact O-CB 3.1Å; P3618-A3622 PolarHBondContact O-N 3.09Å; P3618-Q3646 VanDerWaalsContact CG-CD 3.48Å
3619S87.3Confident87.9Confident65.5 Ų65.553.3 Ų53.346%0.45829%0.287SS..Hα-helixtrans-70.6-39.8175.2-54.60000110.8W3616 V3617 A3622 E3623W3616-S3619 WeakPolarHBondContact O-CA 3.32Å; W3616-S3619 VanDerWaalsContact O-CB 3.31Å; W3616-S3619 WeakPolarHBondContact O-CB 3.36Å; W3616-S3619 PolarHBondContact O-N 3Å; V3617-S3619 VanDerWaalsContact C-N 3.3Å; V3617-S3619 PolarHBondContact O-N 3.17Å; S3619-A3622 PolarHBondContact O-N 3.17Å; S3619-E3623 PolarHBondContact O-N 2.69Å; S3619-E3623 VanDerWaalsContact O-N 3.12Å
3620M89.6Confident87.9Confident0 Ų052.7 Ų52.70%029%0.286CS..Hα-helixtrans-63.3-44.5172.2-175.5-159.470.600111.8I3592 I3595 L3607 W3616 V3617 A3622 E3623 L3624 L3635 L3637 F3649I3592-M3620 HydrophobicContact CD1-CB 4.45Å; I3595-M3620 HydrophobicContact CD1-CG 3.65Å; I3595-M3620 HydrophobicContact CD1-SD 4.16Å; L3607-M3620 HydrophobicContact CD1-SD 4.03Å; W3616-M3620 HydrophobicContact CD2-CB 4.38Å; W3616-M3620 HydrophobicContact CE3-CB 4.14Å; W3616-M3620 HydrophobicContact CH2-CB 3.74Å; W3616-M3620 HydrophobicContact CH2-CG 3.67Å; W3616-M3620 HydrophobicContact CH2-SD 3.81Å; W3616-M3620 HydrophobicContact CZ2-CB 4Å; W3616-M3620 HydrophobicContact CZ2-CG 4.26Å; W3616-M3620 HydrophobicContact CZ3-CB 3.81Å; W3616-M3620 HydrophobicContact CZ3-CG 3.94Å; W3616-M3620 HydrophobicContact CZ3-SD 3.63Å; W3616-M3620 PolarHBondContact O-N 3Å; V3617-M3620 HydrophobicContact CG1-CE 4.15Å; V3617-M3620 WeakPolarHBondContact O-CB 3.24Å; V3617-M3620 PolarHBondContact O-N 3.2Å; M3620-A3622 VanDerWaalsContact C-N 3.31Å; M3620-A3622 PolarHBondContact O-N 3.39Å; M3620-E3623 PolarHBondContact O-N 2.7Å; M3620-L3624 HydrophobicContact CE-CD1 4.13Å; M3620-L3624 HydrophobicContact CG-CD1 4.22Å; M3620-L3624 WeakPolarHBondContact O-CB 3.46Å; M3620-L3624 VanDerWaalsContact O-CG 3.3Å; M3620-L3624 WeakPolarHBondContact O-CG 3.45Å; M3620-L3624 PolarHBondContact O-N 3.2Å; M3620-L3624 HydrophobicContact SD-CD1 4.42Å; M3620-L3635 HydrophobicContact SD-CD2 4.39Å; M3620-L3637 HydrophobicContact CE-CD1 4.11Å; M3620-L3637 HydrophobicContact SD-CD1 4.34Å; M3620-L3637 HydrophobicContact SD-CD2 4.34Å; M3620-F3649 HydrophobicContact CE-CD2 4.03Å; M3620-F3649 HydrophobicContact CE-CE2 3.53Å; M3620-F3649 VanDerWaalsContact CE-CE2 3.42Å; M3620-F3649 HydrophobicContact CE-CZ 4.14Å
3621E87.3Confident87.6Confident15.5 Ų15.559.2 Ų59.27%0.07232%0.321CS..Hα-helixtrans-58.6-43174.2-124.6-164.315500111.2K3187 V3617 E3623 L3624 N3625 S3648 F3649 N3652K3187-E3621 IonicContact NZ-OE2 3.97Å; K3187-E3621 PolarHBondContact NZ-OE2 2.83Å; V3617-E3621 PolarHBondContact O-N 3.1Å; E3621-E3623 VanDerWaalsContact C-N 3.33Å; E3621-E3623 PolarHBondContact O-N 3.38Å; E3621-L3624 PolarHBondContact O-N 3.09Å; E3621-N3625 WeakPolarHBondContact O-CB 3.27Å; E3621-N3625 PolarHBondContact O-N 3.03Å; E3621-N3625 PolarHBondContact O-ND2 2.77Å; E3621-S3648 PolarHBondContact OE1-OG 3.42Å; E3621-S3648 WeakPolarHBondContact OE2-CB 3.36Å; E3621-S3648 PolarHBondContact OE2-OG 2.92Å; E3621-F3649 HydrophobicContact CG-CB 4.22Å; E3621-F3649 HydrophobicContact CG-CD2 4.32Å; E3621-F3649 VanDerWaalsContact OE1-CA 3.31Å; E3621-F3649 WeakPolarHBondContact OE1-CA 3.24Å; E3621-F3649 PolarHBondContact OE1-N 3.26Å; E3621-F3649 PolarHBondContact OE2-N 3.23Å; E3621-N3652 PolarHBondContact OE1-ND2 2.84Å
3622A85.1Confident87.5Confident40.5 Ų40.560.5 Ų60.534%0.33533%0.334SS..Hα-helixtrans-62.5-38.9178.600000112.8P3618 S3619 M3620 R3626P3618-A3622 WeakPolarHBondContact O-CB 3.1Å; P3618-A3622 PolarHBondContact O-N 3.09Å; S3619-A3622 PolarHBondContact O-N 3.17Å; M3620-A3622 VanDerWaalsContact C-N 3.31Å; M3620-A3622 PolarHBondContact O-N 3.39Å; A3622-R3626 WeakPolarHBondContact O-CD 3.4Å; A3622-R3626 VanDerWaalsContact O-CG 3.26Å; A3622-R3626 WeakPolarHBondContact O-CG 3.39Å; A3622-R3626 PolarHBondContact O-N 3.23Å
3623E86.1Confident87.6Confident29.5 Ų29.556 Ų5614%0.13831%0.31CS..Hα-helixtrans-72.2-40.9175.9-75.6-64.2126.200112.6I3592 Q3596 S3619 M3620 E3621 N3625 R3626 L3627I3592-E3623 HydrophobicContact CD1-CB 4.3Å; I3592-E3623 HydrophobicContact CD1-CG 4.15Å; I3592-E3623 HydrophobicContact CG2-CG 3.97Å; Q3596-E3623 PolarHBondContact NE2-OE2 3.44Å; S3619-E3623 PolarHBondContact O-N 2.69Å; S3619-E3623 VanDerWaalsContact O-N 3.12Å; M3620-E3623 PolarHBondContact O-N 2.7Å; E3621-E3623 VanDerWaalsContact C-N 3.33Å; E3621-E3623 PolarHBondContact O-N 3.38Å; E3623-N3625 VanDerWaalsContact C-N 3.3Å; E3623-N3625 PolarHBondContact O-N 2.98Å; E3623-R3626 WeakPolarHBondContact O-CB 3.34Å; E3623-R3626 PolarHBondContact O-N 3.4Å; E3623-R3626 VanDerWaalsContact O-N 3.08Å; E3623-R3626 WeakPolarHBondContact OE1-CD 3.34Å; E3623-R3626 IonicContact OE1-CZ 3.69Å; E3623-R3626 IonicContact OE1-NE 3.14Å; E3623-R3626 IonicContact OE1-NH1 3.06Å; E3623-R3626 PolarHBondContact OE1-NH1 3.09Å; E3623-R3626 IonicContact OE2-NH1 3.77Å; E3623-L3627 VanDerWaalsContact O-CG 3.3Å; E3623-L3627 WeakPolarHBondContact O-CG 3.42Å; E3623-L3627 PolarHBondContact O-N 3.28Å; E3623-L3627 VanDerWaalsContact O-N 3.11Å
3624L86.8Confident87.7Confident37.5 Ų37.557.5 Ų57.520%0.19632%0.316CS..Hα-helixtrans-59.8-40.3175.1-72.1170.7000112.2P3550 I3595 M3620 E3621 R3626 L3627 L3635P3550-L3624 HydrophobicContact CG-CD1 3.99Å; I3595-L3624 HydrophobicContact CG2-CD2 3.85Å; M3620-L3624 HydrophobicContact CE-CD1 4.13Å; M3620-L3624 HydrophobicContact CG-CD1 4.22Å; M3620-L3624 WeakPolarHBondContact O-CB 3.46Å; M3620-L3624 VanDerWaalsContact O-CG 3.3Å; M3620-L3624 WeakPolarHBondContact O-CG 3.45Å; M3620-L3624 PolarHBondContact O-N 3.2Å; M3620-L3624 HydrophobicContact SD-CD1 4.42Å; E3621-L3624 PolarHBondContact O-N 3.09Å; L3624-R3626 VanDerWaalsContact C-N 3.27Å; L3624-R3626 PolarHBondContact O-N 2.82Å; L3624-L3627 PolarHBondContact O-N 3.1Å; L3624-L3635 HydrophobicContact CD1-CD2 3.81Å; L3624-L3635 HydrophobicContact CD2-CD2 3.96Å; L3624-L3635 HydrophobicContact CG-CD2 4.47Å
3625N84.7Confident88Confident119 Ų11956.5 Ų56.564%0.63631%0.309SS*.THydrogen-bonded Turntrans-70.1-19.9176.3-74-44.8000113.7E3621 E3623E3621-N3625 WeakPolarHBondContact O-CB 3.27Å; E3621-N3625 PolarHBondContact O-N 3.03Å; E3621-N3625 PolarHBondContact O-ND2 2.77Å; E3623-N3625 VanDerWaalsContact C-N 3.3Å; E3623-N3625 PolarHBondContact O-N 2.98Å
3626R84.9Confident88.4Confident179.5 Ų179.553.2 Ų53.268%0.67728%0.276SS*.THydrogen-bonded Turntrans-84.4-31.6175.2-124.7174.1-128.9171.7-0.5112.2A3622 E3623 L3624A3622-R3626 WeakPolarHBondContact O-CD 3.4Å; A3622-R3626 VanDerWaalsContact O-CG 3.26Å; A3622-R3626 WeakPolarHBondContact O-CG 3.39Å; A3622-R3626 PolarHBondContact O-N 3.23Å; E3623-R3626 WeakPolarHBondContact O-CB 3.34Å; E3623-R3626 PolarHBondContact O-N 3.4Å; E3623-R3626 VanDerWaalsContact O-N 3.08Å; E3623-R3626 WeakPolarHBondContact OE1-CD 3.34Å; E3623-R3626 IonicContact OE1-CZ 3.69Å; E3623-R3626 IonicContact OE1-NE 3.14Å; E3623-R3626 IonicContact OE1-NH1 3.06Å; E3623-R3626 PolarHBondContact OE1-NH1 3.09Å; E3623-R3626 IonicContact OE2-NH1 3.77Å; L3624-R3626 VanDerWaalsContact C-N 3.27Å; L3624-R3626 PolarHBondContact O-N 2.82Å
3627L84.5Confident88.6Confident40 Ų4052.1 Ų52.121%0.20927%0.271CS..  trans-76.6151.5-175.3-72.3166.7000112.3I3595 Q3596 A3599 E3623 L3624 P3629I3595-L3627 HydrophobicContact CG2-CD1 3.74Å; Q3596-L3627 HydrophobicContact CG-CD1 4.16Å; Q3596-L3627 HydrophobicContact CG-CD2 4.24Å; A3599-L3627 HydrophobicContact CB-CD1 4.21Å; A3599-L3627 HydrophobicContact CB-CD2 4.49Å; E3623-L3627 VanDerWaalsContact O-CG 3.3Å; E3623-L3627 WeakPolarHBondContact O-CG 3.42Å; E3623-L3627 PolarHBondContact O-N 3.28Å; E3623-L3627 VanDerWaalsContact O-N 3.11Å; L3624-L3627 PolarHBondContact O-N 3.1Å; L3627-P3629 WeakPolarHBondContact O-CD 3.38Å
3628K85.5Confident88.8Confident206 Ų20652.2 Ų52.290%0.89627%0.272SS*.  trans-113.185.6166.1-69.4-173.9179.2-177.80107.9
3629P86.9Confident89.1Confident19.5 Ų19.550.5 Ų50.513%0.12726%0.261CS..  trans-67.2146.8-176.828-34000111C3547 N3548 A3599 L3627 F3633C3547-P3629 HydrophobicContact CB-CB 4.29Å; C3547-P3629 HydrophobicContact CB-CG 4.1Å; C3547-P3629 WeakPolarHBondContact O-CG 3.28Å; N3548-P3629 WeakPolarHBondContact OD1-CD 3.38Å; N3548-P3629 WeakPolarHBondContact OD1-CG 3.33Å; A3599-P3629 HydrophobicContact CB-CB 4.11Å; A3599-P3629 WeakPolarHBondContact O-CA 3.45Å; L3627-P3629 WeakPolarHBondContact O-CD 3.38Å; P3629-F3633 HydrophobicContact CB-CB 4.08Å; P3629-F3633 HydrophobicContact CB-CD1 3.51Å; P3629-F3633 HydrophobicContact CB-CE1 4.22Å; P3629-F3633 HydrophobicContact CB-CG 4.03Å; P3629-F3633 HydrophobicContact CG-CD1 4.33Å
3630T89.6Confident89.3Confident55.5 Ų55.551 Ų5134%0.3426%0.256SS..  trans-67.9151.7170.255.30000111.3C3547 A3599 G3602 S3632 F3633C3547-T3630 WeakPolarHBondContact CB-O 3.46Å; A3599-T3630 PolarHBondContact O-N 3.16Å; A3599-T3630 VanDerWaalsContact O-N 3.14Å; A3599-T3630 PolarHBondContact O-OG1 3.35Å; G3602-T3630 WeakPolarHBondContact CA-OG1 3.36Å; G3602-T3630 PolarHBondContact N-OG1 3.34Å; T3630-S3632 PolarHBondContact O-N 3.02Å; T3630-F3633 VanDerWaalsContact O-CB 3.27Å; T3630-F3633 WeakPolarHBondContact O-CB 3.42Å; T3630-F3633 PolarHBondContact O-N 3.37Å
3631D87.3Confident89.2Confident136.5 Ų136.556.7 Ų56.773%0.7328%0.278SS*.THydrogen-bonded Turntrans-58.2-23.7-174.1-64.2-25.8000115.6R3634D3631-R3634 PolarHBondContact O-NH1 2.95Å
3632S87.7Confident89.2Confident64 Ų6457.9 Ų57.945%0.44828%0.284SS..THydrogen-bonded Turntrans-83.8-14.7176.964.70000114.4G3602 W3604 T3630G3602-S3632 VanDerWaalsContact CA-OG 3.26Å; G3602-S3632 WeakPolarHBondContact CA-OG 3.37Å; G3602-S3632 CarbonylContact O-C 3.48Å; G3602-S3632 PolarHBondContact O-OG 3.34Å; W3604-S3632 VanDerWaalsContact CD1-O 3.29Å; W3604-S3632 PolarHBondContact NE1-O 3.06Å; W3604-S3632 VanDerWaalsContact NE1-O 3.12Å; T3630-S3632 PolarHBondContact O-N 3.02Å
3633F93.1Very high89.1Confident3 Ų358.7 Ų58.71%0.01329%0.291CS..  trans-64.1137.8178.9171.6-105.2000111C3547 C3598 A3599 K3603 P3629 T3630 L3635C3547-F3633 WeakPolarHBondContact CA-O 3.39Å; C3547-F3633 WeakPolarHBondContact O-CD1 3.45Å; C3598-F3633 VanDerWaalsContact C-CD2 3.43Å; C3598-F3633 HydrophobicContact CB-CD2 4.07Å; C3598-F3633 HydrophobicContact CB-CE2 3.75Å; C3598-F3633 WeakPolarHBondContact O-CD2 3.41Å; A3599-F3633 VanDerWaalsContact CA-CD2 3.47Å; A3599-F3633 HydrophobicContact CB-CD1 4.46Å; A3599-F3633 HydrophobicContact CB-CD2 4.21Å; A3599-F3633 HydrophobicContact CB-CE1 4.45Å; A3599-F3633 HydrophobicContact CB-CE2 4.18Å; A3599-F3633 HydrophobicContact CB-CG 4.38Å; A3599-F3633 HydrophobicContact CB-CZ 4.28Å; K3603-F3633 WeakPolarHBondContact O-CA 3.33Å; K3603-F3633 WeakPolarHBondContact O-CD2 3.42Å; P3629-F3633 HydrophobicContact CB-CB 4.08Å; P3629-F3633 HydrophobicContact CB-CD1 3.51Å; P3629-F3633 HydrophobicContact CB-CE1 4.22Å; P3629-F3633 HydrophobicContact CB-CG 4.03Å; P3629-F3633 HydrophobicContact CG-CD1 4.33Å; T3630-F3633 VanDerWaalsContact O-CB 3.27Å; T3630-F3633 WeakPolarHBondContact O-CB 3.42Å; T3630-F3633 PolarHBondContact O-N 3.37Å; F3633-L3635 HydrophobicContact CE1-CB 4.11Å; F3633-L3635 HydrophobicContact CZ-CB 3.89Å
3634R93.5Very high89Confident38 Ų3862.6 Ų62.614%0.14331%0.313CS..EExtended strand (participates in β ladder)trans-140.3135.4169.6-66.6-63.8-177.8-80.83.4109.8S3545 T3546 K3603 W3604 L3605 D3631S3545-R3634 PolarHBondContact O-NE 3.14Å; S3545-R3634 PolarHBondContact O-NH2 3Å; S3545-R3634 PolarHBondContact OG-NE 3.11Å; T3546-R3634 WeakPolarHBondContact O-CD 3.49Å; K3603-R3634 PolarHBondContact O-N 3.08Å; W3604-R3634 WeakPolarHBondContact CA-O 3.24Å; W3604-R3634 HydrophobicContact CD2-CB 4.16Å; W3604-R3634 HydrophobicContact CD2-CG 4.48Å; W3604-R3634 HydrophobicContact CG-CB 4Å; W3604-R3634 HydrophobicContact CZ2-CG 4.35Å; L3605-R3634 PolarHBondContact N-O 3.18Å; D3631-R3634 PolarHBondContact O-NH1 2.95Å
3635L94.4Very high89Confident5 Ų561.5 Ų61.53%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-106.6118.2173.4-177.760.3000109.4P3550 V3551 L3605 L3607 M3620 L3624 F3633 L3637P3550-L3635 CarbonylContact C-O 3.6Å; P3550-L3635 WeakPolarHBondContact CA-O 3.41Å; P3550-L3635 HydrophobicContact CB-CB 4.23Å; P3550-L3635 HydrophobicContact CB-CD2 4.15Å; P3550-L3635 HydrophobicContact CB-CG 4.26Å; P3550-L3635 HydrophobicContact CG-CD2 4.22Å; V3551-L3635 PolarHBondContact N-O 2.96Å; L3605-L3635 HydrophobicContact CB-CD1 4.01Å; L3605-L3635 HydrophobicContact CD2-CD1 3.98Å; L3605-L3635 HydrophobicContact CG-CD1 3.98Å; L3605-L3635 CarbonylContact O-C 3.5Å; L3605-L3635 WeakPolarHBondContact O-CA 3.44Å; L3607-L3635 HydrophobicContact CD1-CD1 4.27Å; L3607-L3635 HydrophobicContact CG-CD1 4.2Å; M3620-L3635 HydrophobicContact SD-CD2 4.39Å; L3624-L3635 HydrophobicContact CD1-CD2 3.81Å; L3624-L3635 HydrophobicContact CD2-CD2 3.96Å; L3624-L3635 HydrophobicContact CG-CD2 4.47Å; F3633-L3635 HydrophobicContact CE1-CB 4.11Å; F3633-L3635 HydrophobicContact CZ-CB 3.89Å; L3635-L3637 HydrophobicContact CD1-CD2 4.02Å; L3635-L3637 HydrophobicContact CD2-CD2 4.11Å; L3635-L3637 HydrophobicContact CD2-CG 4.47Å; L3635-L3637 HydrophobicContact CG-CD2 3.85Å; L3635-L3637 HydrophobicContact CG-CG 4.18Å
3636W95Very high88.9Confident0 Ų059.9 Ų59.90%030%0.295CS..EExtended strand (participates in β ladder)trans-104.3130.3175.6-60.786.5000108.9L3541 L3542 V3551 I3553 V3565 L3568 W3604 L3605 C3606 L3607L3541-W3636 HydrophobicContact CD1-CZ3 4.48Å; L3542-W3636 HydrophobicContact CD2-CH2 3.98Å; L3542-W3636 HydrophobicContact CD2-CZ2 3.7Å; V3551-W3636 HydrophobicContact CB-CD2 4.24Å; V3551-W3636 HydrophobicContact CB-CE3 3.76Å; V3551-W3636 HydrophobicContact CB-CZ3 4.09Å; V3551-W3636 HydrophobicContact CG1-CE3 3.67Å; V3551-W3636 HydrophobicContact CG1-CH2 4.43Å; V3551-W3636 HydrophobicContact CG1-CZ3 3.62Å; V3551-W3636 HydrophobicContact CG2-CE3 4.33Å; V3551-W3636 HydrophobicContact CG2-CZ3 4.38Å; V3551-W3636 CarbonylContact O-C 3.5Å; I3553-W3636 HydrophobicContact CD1-CE3 3.84Å; I3553-W3636 HydrophobicContact CD1-CZ3 4.14Å; I3553-W3636 HydrophobicContact CG1-CE3 4.39Å; V3565-W3636 HydrophobicContact CG1-CB 4.48Å; V3565-W3636 HydrophobicContact CG1-CD2 4.13Å; V3565-W3636 HydrophobicContact CG1-CE3 4.49Å; V3565-W3636 HydrophobicContact CG1-CG 4.11Å; V3565-W3636 HydrophobicContact CG2-CE3 4.37Å; L3568-W3636 HydrophobicContact CD2-CH2 4.02Å; L3568-W3636 HydrophobicContact CD2-CZ2 4.26Å; W3604-W3636 AromaticContact CD2-NE1 3.77Å; W3604-W3636 HydrophobicContact CE3-CZ2 4.29Å; W3604-W3636 AromaticContact CE3-NE1 3.35Å; W3604-W3636 VanDerWaalsContact CE3-NE1 3.33Å; W3604-W3636 HydrophobicContact CH2-CZ2 4.37Å; W3604-W3636 AromaticContact CZ3-CZ2 3.91Å; W3604-W3636 HydrophobicContact CZ3-CZ2 3.91Å; W3604-W3636 AromaticContact CZ3-NE1 3.89Å; L3605-W3636 PolarHBondContact O-N 3.19Å; C3606-W3636 CarbonylContact C-O 3.27Å; C3606-W3636 VanDerWaalsContact CA-O 3.29Å; C3606-W3636 WeakPolarHBondContact CA-O 3.48Å; C3606-W3636 HydrophobicContact CB-CB 4.23Å; L3607-W3636 PolarHBondContact N-O 3.13Å
3637L94.9Very high88.7Confident0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-124.2117-177.3-57.6178.4000108.3P3550 V3551 L3552 I3553 L3607 L3610 M3620 L3635 F3649P3550-L3637 HydrophobicContact CB-CD1 3.85Å; P3550-L3637 HydrophobicContact CB-CG 4.37Å; P3550-L3637 HydrophobicContact CG-CD1 4.32Å; V3551-L3637 PolarHBondContact O-N 2.92Å; L3552-L3637 CarbonylContact C-O 3.58Å; L3552-L3637 HydrophobicContact CD1-CB 3.77Å; I3553-L3637 PolarHBondContact N-O 3.14Å; L3607-L3637 HydrophobicContact CB-CD2 3.82Å; L3607-L3637 HydrophobicContact CD1-CD2 3.85Å; L3607-L3637 HydrophobicContact CG-CD2 4.05Å; L3607-L3637 WeakPolarHBondContact O-CA 3.37Å; L3610-L3637 HydrophobicContact CD2-CB 4.39Å; L3610-L3637 HydrophobicContact CD2-CD1 4.28Å; M3620-L3637 HydrophobicContact CE-CD1 4.11Å; M3620-L3637 HydrophobicContact SD-CD1 4.34Å; M3620-L3637 HydrophobicContact SD-CD2 4.34Å; L3635-L3637 HydrophobicContact CD1-CD2 4.02Å; L3635-L3637 HydrophobicContact CD2-CD2 4.11Å; L3635-L3637 HydrophobicContact CD2-CG 4.47Å; L3635-L3637 HydrophobicContact CG-CD2 3.85Å; L3635-L3637 HydrophobicContact CG-CG 4.18Å; L3637-F3649 HydrophobicContact CD1-CE2 3.68Å; L3637-F3649 HydrophobicContact CD1-CZ 3.6Å
3638I94.4Very high88.5Confident5 Ų554.4 Ų54.43%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-104.5125.7178.3-60.2166.9000108.7I3553 P3561 C3606 L3607 K3608 N3609 L3610I3553-I3638 HydrophobicContact CB-CG1 4.43Å; I3553-I3638 WeakPolarHBondContact O-CA 3.39Å; P3561-I3638 HydrophobicContact CG-CD1 3.84Å; P3561-I3638 HydrophobicContact CG-CG1 3.93Å; P3561-I3638 HydrophobicContact CG-CG2 3.9Å; C3606-I3638 VanDerWaalsContact SG-CD1 3.54Å; L3607-I3638 PolarHBondContact O-N 3.09Å; K3608-I3638 CarbonylContact C-O 3.57Å; K3608-I3638 HydrophobicContact CG-CD1 4.29Å; N3609-I3638 PolarHBondContact N-O 3.14Å; L3610-I3638 PolarHBondContact N-O 3.11Å; L3610-I3638 VanDerWaalsContact N-O 3.16Å
3639T93.5Very high88.6Confident2 Ų244.7 Ų44.71%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-145.6155-178.5-168.50000112.5L3552 I3553 I3554 S3555 H3611 F3645L3552-T3639 HydrophobicContact CD1-CG2 3.68Å; L3552-T3639 HydrophobicContact CG-CG2 4.38Å; I3553-T3639 PolarHBondContact O-N 2.96Å; I3554-T3639 CarbonylContact C-O 3.34Å; I3554-T3639 VanDerWaalsContact CA-O 3.24Å; I3554-T3639 WeakPolarHBondContact CA-O 3.37Å; I3554-T3639 HydrophobicContact CG1-CG2 3.99Å; S3555-T3639 PolarHBondContact N-O 3.17Å; S3555-T3639 PolarHBondContact OG-O 3.23Å; S3555-T3639 VanDerWaalsContact OG-O 3.08Å; H3611-T3639 WeakPolarHBondContact CB-OG1 3.44Å; H3611-T3639 PolarHBondContact N-OG1 3.42Å; H3611-T3639 VanDerWaalsContact N-OG1 3.14Å; T3639-F3645 HydrophobicContact CG2-CE2 4.13Å; T3639-F3645 HydrophobicContact CG2-CZ 4.23Å; T3639-F3645 WeakPolarHBondContact OG1-CE2 3.44Å; T3639-F3645 VanDerWaalsContact OG1-CZ 3.28Å; T3639-F3645 WeakPolarHBondContact OG1-CZ 3.38Å
3640E90.4Very high88.7Confident76 Ų7643.9 Ų43.936%0.35524%0.24SC..  trans-84.3169.4160.4-61.9-169.9173.700110.1H3611 N3642H3611-E3640 HydrophobicContact CB-CB 4.43Å; H3611-E3640 PolarHBondContact ND1-N 3.02Å; E3640-N3642 PolarHBondContact O-N 3.15Å
3641R87.7Confident88.5Confident119 Ų11946.6 Ų46.645%0.44924%0.243SC..  trans-62.4120.9173.3178.1179.7174.5166.2-3.8109.8C3347 E3348 V3349 F3398 E3401C3347-R3641 VanDerWaalsContact SG-CZ 3.56Å; C3347-R3641 PolarHBondContact SG-NE 3.17Å; C3347-R3641 VanDerWaalsContact SG-NE 3.4Å; C3347-R3641 PolarHBondContact SG-NH1 3.4Å; C3347-R3641 VanDerWaalsContact SG-NH1 3.37Å; E3348-R3641 IonicContact OE1-CZ 3.01Å; E3348-R3641 IonicContact OE1-NH2 3.17Å; E3348-R3641 PolarHBondContact OE1-NH2 3.18Å; E3348-R3641 IonicContact OE2-CZ 3.96Å; E3348-R3641 IonicContact OE2-NE 2.57Å; E3348-R3641 PolarHBondContact OE2-NE 2.75Å; E3348-R3641 IonicContact OE2-NH2 3.85Å; E3348-R3641 PolarHBondContact OE2-NH2 2.77Å; V3349-R3641 HydrophobicContact CG2-CG 4.27Å; F3398-R3641 HydrophobicContact CZ-CB 4.47Å; E3401-R3641 IonicContact OE1-NH1 3.45Å
3642N86.9Confident88.4Confident40 Ų4043.5 Ų43.521%0.21423%0.227CC..  trans-137.4135.5172.1-168.1-28.2000109.7H3611 T3614 E3640 N3644 F3645H3611-N3642 HydrophobicContact CB-CB 4.12Å; H3611-N3642 PolarHBondContact O-ND2 3.24Å; T3614-N3642 HydrophobicContact CG2-CB 4.35Å; E3640-N3642 PolarHBondContact O-N 3.15Å; N3642-N3644 VanDerWaalsContact C-N 3.34Å; N3642-N3644 PolarHBondContact O-N 3.04Å; N3642-N3644 WeakPolarHBondContact OD1-CB 3.32Å; N3642-N3644 PolarHBondContact OD1-N 3.27Å; N3642-F3645 HydrophobicContact CB-CD2 4.04Å; N3642-F3645 HydrophobicContact CB-CE2 3.81Å; N3642-F3645 VanDerWaalsContact O-CD2 3.28Å; N3642-F3645 WeakPolarHBondContact O-CD2 3.29Å
3643A82.6Confident88.5Confident58 Ų5840.8 Ų40.848%0.47921%0.208SC..THydrogen-bonded Turntrans-74.7-17.2179.700000113.4E3348 F3645E3348-A3643 HydrophobicContact CG-CB 4.17Å; E3348-A3643 VanDerWaalsContact OE2-C 3.27Å; E3348-A3643 WeakPolarHBondContact OE2-CA 3.23Å; E3348-A3643 WeakPolarHBondContact OE2-CB 3.46Å; A3643-F3645 VanDerWaalsContact C-N 3.27Å; A3643-F3645 PolarHBondContact O-N 3.21Å; A3643-F3645 VanDerWaalsContact O-N 3.13Å
3644N85Confident88.4Confident112 Ų11241.5 Ų41.560%0.59921%0.212SC*.THydrogen-bonded Turntrans-78.90.5-175.1-63.9-13.6000114.3T3614 N3642T3614-N3644 HydrophobicContact CG2-CB 4.1Å; N3642-N3644 VanDerWaalsContact C-N 3.34Å; N3642-N3644 PolarHBondContact O-N 3.04Å; N3642-N3644 WeakPolarHBondContact OD1-CB 3.32Å; N3642-N3644 PolarHBondContact OD1-N 3.27Å
3645F86.5Confident88.2Confident14 Ų1440.4 Ų40.46%0.06121%0.208CC..SBendtrans-73.1133.1177.2-75.1-64.3000111.7L3610 T3614 V3617 T3639 N3642 A3643 F3649 L3650L3610-F3645 HydrophobicContact CB-CZ 4.32Å; L3610-F3645 HydrophobicContact CD2-CE1 3.75Å; L3610-F3645 HydrophobicContact CD2-CZ 4.15Å; L3610-F3645 HydrophobicContact CG-CE1 3.95Å; L3610-F3645 HydrophobicContact CG-CZ 4.19Å; T3614-F3645 HydrophobicContact CG2-CD1 4.17Å; T3614-F3645 HydrophobicContact CG2-CD2 4.48Å; T3614-F3645 HydrophobicContact CG2-CE1 3.91Å; T3614-F3645 HydrophobicContact CG2-CE2 4.38Å; T3614-F3645 HydrophobicContact CG2-CG 4.47Å; T3614-F3645 HydrophobicContact CG2-CZ 4.02Å; V3617-F3645 HydrophobicContact CG2-CD1 4.23Å; V3617-F3645 HydrophobicContact CG2-CE1 3.97Å; T3639-F3645 HydrophobicContact CG2-CE2 4.13Å; T3639-F3645 HydrophobicContact CG2-CZ 4.23Å; T3639-F3645 WeakPolarHBondContact OG1-CE2 3.44Å; T3639-F3645 VanDerWaalsContact OG1-CZ 3.28Å; T3639-F3645 WeakPolarHBondContact OG1-CZ 3.38Å; N3642-F3645 HydrophobicContact CB-CD2 4.04Å; N3642-F3645 HydrophobicContact CB-CE2 3.81Å; N3642-F3645 VanDerWaalsContact O-CD2 3.28Å; N3642-F3645 WeakPolarHBondContact O-CD2 3.29Å; A3643-F3645 VanDerWaalsContact C-N 3.27Å; A3643-F3645 PolarHBondContact O-N 3.21Å; A3643-F3645 VanDerWaalsContact O-N 3.13Å; F3645-F3649 HydrophobicContact CB-CD1 4.24Å; F3645-F3649 AromaticContact CD1-CD1 3.8Å; F3645-F3649 HydrophobicContact CD1-CD1 3.97Å; F3645-F3649 AromaticContact CD1-CE1 3.59Å; F3645-F3649 HydrophobicContact CD1-CE1 3.85Å; F3645-F3649 AromaticContact CE1-CE1 3.91Å; F3645-F3649 HydrophobicContact CE1-CE1 4.1Å; F3645-F3649 HydrophobicContact CG-CD1 4.25Å; F3645-F3649 HydrophobicContact CG-CE1 4.15Å; F3645-L3650 HydrophobicContact CB-CD1 3.96Å; F3645-L3650 HydrophobicContact CB-CD2 4.12Å; F3645-L3650 HydrophobicContact CB-CG 4.04Å
3646Q82.3Confident88.1Confident85 Ų8540.8 Ų40.840%0.39721%0.21SC..  trans-71.7142.6179.2-64.1-173.6-7.200112.1P3618 S3648 F3649 L3650P3618-Q3646 VanDerWaalsContact CG-CD 3.48Å; Q3646-S3648 VanDerWaalsContact C-N 3.25Å; Q3646-S3648 PolarHBondContact O-N 3.26Å; Q3646-F3649 PolarHBondContact O-N 2.98Å; Q3646-L3650 WeakPolarHBondContact O-CG 3.26Å; Q3646-L3650 PolarHBondContact O-N 3.1Å; Q3646-L3650 VanDerWaalsContact O-N 3.07Å
3647C81.9Confident87.9Confident63 Ų6341.4 Ų41.443%0.42621%0.212SC..Hα-helixtrans-62.5-26.8179.4-60.40000113.5N3351 L3650 R3651N3351-C3647 PolarHBondContact ND2-SG 2.96Å; C3647-L3650 PolarHBondContact O-N 3.4Å; C3647-R3651 VanDerWaalsContact O-CB 3.3Å; C3647-R3651 WeakPolarHBondContact O-CB 3.21Å; C3647-R3651 VanDerWaalsContact O-CD 3.27Å; C3647-R3651 WeakPolarHBondContact O-CD 3.3Å; C3647-R3651 WeakPolarHBondContact O-CG 3.3Å; C3647-R3651 PolarHBondContact O-N 3.13Å; C3647-R3651 VanDerWaalsContact O-N 3.13Å
3648S80.4Confident87.5Confident41 Ų4142.4 Ų42.429%0.28722%0.216SC..Hα-helixtrans-61.2-58.2174.652.70000110.7E3621 Q3646 L3650 R3651 N3652E3621-S3648 PolarHBondContact OE1-OG 3.42Å; E3621-S3648 WeakPolarHBondContact OE2-CB 3.36Å; E3621-S3648 PolarHBondContact OE2-OG 2.92Å; Q3646-S3648 VanDerWaalsContact C-N 3.25Å; Q3646-S3648 PolarHBondContact O-N 3.26Å; S3648-L3650 VanDerWaalsContact C-N 3.31Å; S3648-L3650 PolarHBondContact O-N 3.06Å; S3648-R3651 WeakPolarHBondContact O-CB 3.08Å; S3648-R3651 PolarHBondContact O-N 3.23Å; S3648-N3652 WeakPolarHBondContact O-CB 3.39Å; S3648-N3652 PolarHBondContact O-N 3.12Å; S3648-N3652 PolarHBondContact O-ND2 2.7Å
3649F86.6Confident87Confident3 Ų343.8 Ų43.81%0.01322%0.223CC..Hα-helixtrans-54.5-48.9177.8169.2-109.7000111.7L3552 L3610 V3617 M3620 E3621 L3637 F3645 Q3646 R3651 N3652 C3653L3552-F3649 HydrophobicContact CD1-CE1 4.39Å; L3552-F3649 HydrophobicContact CD1-CZ 4.21Å; L3552-F3649 HydrophobicContact CD2-CE1 4.03Å; L3552-F3649 HydrophobicContact CD2-CZ 3.97Å; L3610-F3649 HydrophobicContact CD2-CE1 4.1Å; L3610-F3649 HydrophobicContact CD2-CZ 3.74Å; V3617-F3649 HydrophobicContact CG1-CB 3.9Å; V3617-F3649 HydrophobicContact CG1-CD1 3.68Å; V3617-F3649 HydrophobicContact CG1-CD2 3.61Å; V3617-F3649 HydrophobicContact CG1-CE1 4.07Å; V3617-F3649 HydrophobicContact CG1-CE2 4.04Å; V3617-F3649 HydrophobicContact CG1-CG 3.42Å; V3617-F3649 VanDerWaalsContact CG1-CG 3.44Å; V3617-F3649 HydrophobicContact CG1-CZ 4.24Å; M3620-F3649 HydrophobicContact CE-CD2 4.03Å; M3620-F3649 HydrophobicContact CE-CE2 3.53Å; M3620-F3649 VanDerWaalsContact CE-CE2 3.42Å; M3620-F3649 HydrophobicContact CE-CZ 4.14Å; E3621-F3649 HydrophobicContact CG-CB 4.22Å; E3621-F3649 HydrophobicContact CG-CD2 4.32Å; E3621-F3649 VanDerWaalsContact OE1-CA 3.31Å; E3621-F3649 WeakPolarHBondContact OE1-CA 3.24Å; E3621-F3649 PolarHBondContact OE1-N 3.26Å; E3621-F3649 PolarHBondContact OE2-N 3.23Å; L3637-F3649 HydrophobicContact CD1-CE2 3.68Å; L3637-F3649 HydrophobicContact CD1-CZ 3.6Å; F3645-F3649 HydrophobicContact CB-CD1 4.24Å; F3645-F3649 AromaticContact CD1-CD1 3.8Å; F3645-F3649 HydrophobicContact CD1-CD1 3.97Å; F3645-F3649 AromaticContact CD1-CE1 3.59Å; F3645-F3649 HydrophobicContact CD1-CE1 3.85Å; F3645-F3649 AromaticContact CE1-CE1 3.91Å; F3645-F3649 HydrophobicContact CE1-CE1 4.1Å; F3645-F3649 HydrophobicContact CG-CD1 4.25Å; F3645-F3649 HydrophobicContact CG-CE1 4.15Å; Q3646-F3649 PolarHBondContact O-N 2.98Å; F3649-R3651 VanDerWaalsContact C-N 3.33Å; F3649-R3651 PolarHBondContact O-N 3.09Å; F3649-N3652 PolarHBondContact O-N 3.15Å; F3649-N3652 VanDerWaalsContact O-N 3.12Å; F3649-C3653 VanDerWaalsContact CE2-SG 3.52Å; F3649-C3653 WeakPolarHBondContact CE2-SG 3.42Å; F3649-C3653 VanDerWaalsContact CZ-SG 3.54Å; F3649-C3653 PolarHBondContact O-N 3.31Å; F3649-C3653 PolarHBondContact O-SG 3.19Å
3650L88.1Confident86.3Confident2.5 Ų2.545.4 Ų45.41%0.01324%0.236CC..Hα-helixtrans-62.5-32179.8-68173.3000113.2E3348 V3349 N3351 L3552 F3645 Q3646 C3647 S3648 N3652 K3655E3348-L3650 WeakPolarHBondContact O-CD1 3.28Å; V3349-L3650 HydrophobicContact CG1-CD2 4.22Å; N3351-L3650 HydrophobicContact CB-CB 3.88Å; N3351-L3650 HydrophobicContact CB-CD1 4.41Å; N3351-L3650 CarbonylContact O-C 3.55Å; L3552-L3650 HydrophobicContact CD2-CD2 3.74Å; F3645-L3650 HydrophobicContact CB-CD1 3.96Å; F3645-L3650 HydrophobicContact CB-CD2 4.12Å; F3645-L3650 HydrophobicContact CB-CG 4.04Å; Q3646-L3650 WeakPolarHBondContact O-CG 3.26Å; Q3646-L3650 PolarHBondContact O-N 3.1Å; Q3646-L3650 VanDerWaalsContact O-N 3.07Å; C3647-L3650 PolarHBondContact O-N 3.4Å; S3648-L3650 VanDerWaalsContact C-N 3.31Å; S3648-L3650 PolarHBondContact O-N 3.06Å; L3650-N3652 VanDerWaalsContact C-N 3.34Å; L3650-K3655 VanDerWaalsContact O-CE 3.32Å; L3650-K3655 WeakPolarHBondContact O-CE 3.27Å; L3650-K3655 PolarHBondContact O-NZ 3.05Å
3651R86.3Confident85.5Confident111.5 Ų111.542.2 Ų42.242%0.42122%0.222SC..Hα-helixtrans-75.3-26.1177.4-76.2172.2-174.6-167.9-0.6113.3N3351 S3353 C3647 S3648 F3649N3351-R3651 HydrophobicContact CB-CG 4.14Å; N3351-R3651 WeakPolarHBondContact O-CA 3.21Å; N3351-R3651 WeakPolarHBondContact O-CG 3.27Å; N3351-R3651 PolarHBondContact OD1-NE 3.01Å; N3351-R3651 PolarHBondContact OD1-NH2 3.18Å; S3353-R3651 VanDerWaalsContact CB-O 3.27Å; S3353-R3651 WeakPolarHBondContact CB-O 3.44Å; S3353-R3651 PolarHBondContact OG-O 3.3Å; S3353-R3651 VanDerWaalsContact OG-O 3.13Å; C3647-R3651 VanDerWaalsContact O-CB 3.3Å; C3647-R3651 WeakPolarHBondContact O-CB 3.21Å; C3647-R3651 VanDerWaalsContact O-CD 3.27Å; C3647-R3651 WeakPolarHBondContact O-CD 3.3Å; C3647-R3651 WeakPolarHBondContact O-CG 3.3Å; C3647-R3651 PolarHBondContact O-N 3.13Å; C3647-R3651 VanDerWaalsContact O-N 3.13Å; S3648-R3651 WeakPolarHBondContact O-CB 3.08Å; S3648-R3651 PolarHBondContact O-N 3.23Å; F3649-R3651 VanDerWaalsContact C-N 3.33Å; F3649-R3651 PolarHBondContact O-N 3.09Å
3652N86Confident84.9Confident72.5 Ų72.538.5 Ų38.539%0.38821%0.214SC..Hα-helixtrans-91-2.3-178.8-66.8-20.4000113.4P3550 E3621 S3648 F3649 L3650P3550-N3652 WeakPolarHBondContact CD-O 3.48Å; E3621-N3652 PolarHBondContact OE1-ND2 2.84Å; S3648-N3652 WeakPolarHBondContact O-CB 3.39Å; S3648-N3652 PolarHBondContact O-N 3.12Å; S3648-N3652 PolarHBondContact O-ND2 2.7Å; F3649-N3652 PolarHBondContact O-N 3.15Å; F3649-N3652 VanDerWaalsContact O-N 3.12Å; L3650-N3652 VanDerWaalsContact C-N 3.34Å
3653C89.1Confident84.4Confident6.5 Ų6.538 Ų384%0.04422%0.219CC..SBendtrans-103.8139.8179.8-66.50000113P3550 L3552 F3649 K3655P3550-C3653 CarbonylContact O-C 3.57Å; P3550-C3653 WeakPolarHBondContact O-CA 3.37Å; L3552-C3653 HydrophobicContact CB-CB 3.73Å; L3552-C3653 HydrophobicContact CD2-CB 4.27Å; F3649-C3653 VanDerWaalsContact CE2-SG 3.52Å; F3649-C3653 WeakPolarHBondContact CE2-SG 3.42Å; F3649-C3653 VanDerWaalsContact CZ-SG 3.54Å; F3649-C3653 PolarHBondContact O-N 3.31Å; F3649-C3653 PolarHBondContact O-SG 3.19Å; C3653-K3655 HydrophobicContact CB-CG 4.35Å; C3653-K3655 PolarHBondContact O-N 2.96Å; C3653-K3655 PolarHBondContact O-NZ 3.5Å
3654L90.1Very high84.3Confident17 Ų1738.6 Ų38.69%0.08921%0.214CC..EExtended strand (participates in β ladder)trans-74.6108.7162.8178.961.7000108.3F3356 E3544 E3549 P3550 V3551 L3552F3356-L3654 HydrophobicContact CE2-CD1 4.46Å; E3544-L3654 HydrophobicContact CB-CD2 4.21Å; E3549-L3654 HydrophobicContact CG-CB 4.22Å; P3550-L3654 PolarHBondContact O-N 3.22Å; V3551-L3654 CarbonylContact C-O 3.25Å; V3551-L3654 WeakPolarHBondContact CA-O 3.42Å; V3551-L3654 HydrophobicContact CG2-CD2 4.4Å; L3552-L3654 PolarHBondContact N-O 2.86Å
3655K91Very high84.1Confident15 Ų1540.7 Ų40.77%0.06522%0.217CC..EExtended strand (participates in β ladder)trans-91.9138.7-172-74.6168.3-71.3-110.80112V3349 N3351 S3396 L3552 L3650 C3653V3349-K3655 HydrophobicContact CG1-CD 4.45Å; V3349-K3655 WeakPolarHBondContact O-CD 3.28Å; V3349-K3655 PolarHBondContact O-NZ 3.26Å; V3349-K3655 VanDerWaalsContact O-NZ 3.14Å; N3351-K3655 VanDerWaalsContact O-CE 3.27Å; N3351-K3655 WeakPolarHBondContact O-CE 3.38Å; N3351-K3655 PolarHBondContact O-NZ 3.13Å; N3351-K3655 VanDerWaalsContact O-NZ 3.09Å; S3396-K3655 WeakPolarHBondContact CB-O 3.37Å; L3552-K3655 HydrophobicContact CB-CG 4.37Å; L3552-K3655 HydrophobicContact CD2-CG 4.26Å; L3552-K3655 CarbonylContact O-C 3.21Å; L3552-K3655 WeakPolarHBondContact O-CA 3.42Å; L3650-K3655 VanDerWaalsContact O-CE 3.32Å; L3650-K3655 WeakPolarHBondContact O-CE 3.27Å; L3650-K3655 PolarHBondContact O-NZ 3.05Å; C3653-K3655 HydrophobicContact CB-CG 4.35Å; C3653-K3655 PolarHBondContact O-N 2.96Å; C3653-K3655 PolarHBondContact O-NZ 3.5Å
3656F91.2Very high83.6Confident14 Ų1443.6 Ų43.66%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-138.5137173-172.6-104.3000110R3395 S3536 L3538 L3541 L3552 I3553 I3554 Y3658R3395-F3656 HydrophobicContact CB-CD2 4Å; R3395-F3656 HydrophobicContact CB-CE2 4.1Å; R3395-F3656 HydrophobicContact CG-CE2 4.33Å; S3536-F3656 VanDerWaalsContact O-CZ 3.28Å; S3536-F3656 WeakPolarHBondContact O-CZ 3.39Å; L3538-F3656 HydrophobicContact CD2-CD1 3.66Å; L3538-F3656 HydrophobicContact CD2-CE1 3.61Å; L3538-F3656 VanDerWaalsContact CD2-CE1 3.44Å; L3538-F3656 HydrophobicContact CD2-CG 4.34Å; L3538-F3656 HydrophobicContact CD2-CZ 4.35Å; L3538-F3656 HydrophobicContact CG-CE1 4.43Å; L3541-F3656 HydrophobicContact CD1-CB 3.89Å; L3541-F3656 HydrophobicContact CD1-CD1 4.21Å; L3541-F3656 HydrophobicContact CD1-CD2 3.71Å; L3541-F3656 HydrophobicContact CD1-CE1 4.38Å; L3541-F3656 HydrophobicContact CD1-CE2 4.27Å; L3541-F3656 HydrophobicContact CD1-CG 3.67Å; L3541-F3656 HydrophobicContact CD1-CZ 4.47Å; L3541-F3656 HydrophobicContact CD2-CD2 3.83Å; L3541-F3656 HydrophobicContact CD2-CE2 4.32Å; L3541-F3656 HydrophobicContact CD2-CG 4.49Å; L3541-F3656 HydrophobicContact CG-CD2 4.26Å; L3552-F3656 PolarHBondContact O-N 2.84Å; I3553-F3656 CarbonylContact C-O 3.32Å; I3553-F3656 WeakPolarHBondContact CA-O 3.32Å; I3553-F3656 HydrophobicContact CG2-CD1 4.3Å; I3554-F3656 PolarHBondContact N-O 3.12Å; F3656-Y3658 HydrophobicContact CD1-CD2 4.47Å; F3656-Y3658 AromaticContact CE1-CD2 3.91Å; F3656-Y3658 HydrophobicContact CE1-CD2 3.91Å
3657I90.2Very high83.6Confident12 Ų1239.6 Ų39.66%0.06221%0.212CC..EExtended strand (participates in β ladder)trans-103.3120.8176-77.2176.3000109.4Y3350 R3395 S3396 F3398 I3554 E3659Y3350-I3657 HydrophobicContact CE1-CD1 3.99Å; R3395-I3657 PolarHBondContact O-N 2.99Å; S3396-I3657 VanDerWaalsContact C-CD1 3.43Å; S3396-I3657 WeakPolarHBondContact O-CD1 3.41Å; F3398-I3657 HydrophobicContact CB-CD1 4.42Å; F3398-I3657 HydrophobicContact CD1-CB 4.5Å; F3398-I3657 HydrophobicContact CD1-CD1 3.82Å; F3398-I3657 HydrophobicContact CD1-CG1 4.39Å; F3398-I3657 HydrophobicContact CD1-CG2 3.44Å; F3398-I3657 VanDerWaalsContact CD1-CG2 3.44Å; F3398-I3657 HydrophobicContact CD2-CD1 3.93Å; F3398-I3657 HydrophobicContact CE1-CD1 3.89Å; F3398-I3657 HydrophobicContact CE1-CG1 4.19Å; F3398-I3657 HydrophobicContact CE1-CG2 3.66Å; F3398-I3657 HydrophobicContact CE2-CD1 3.99Å; F3398-I3657 HydrophobicContact CG-CD1 3.81Å; F3398-I3657 HydrophobicContact CG-CG2 4.3Å; F3398-I3657 HydrophobicContact CZ-CD1 3.96Å; F3398-I3657 HydrophobicContact CZ-CG1 4.36Å; F3398-I3657 VanDerWaalsContact N-CD1 3.29Å; I3554-I3657 HydrophobicContact CB-CG1 4.11Å; I3554-I3657 HydrophobicContact CD1-CG1 3.94Å; I3554-I3657 HydrophobicContact CG2-CG1 4.46Å; I3554-I3657 WeakPolarHBondContact O-CA 3.29Å; I3657-E3659 HydrophobicContact CG2-CB 4.42Å; I3657-E3659 HydrophobicContact CG2-CG 3.94Å; I3657-E3659 WeakPolarHBondContact CG2-OE2 3.36Å
3658Y87.6Confident83.7Confident21.5 Ų21.538 Ų388%0.08420%0.199CC..EExtended strand (participates in β ladder)trans-100103.7179.4-159.2-96.7000109.5L3538 I3553 I3554 S3555 T3556 A3559 P3561 E3564 F3656L3538-Y3658 HydrophobicContact CD1-CE2 4.24Å; L3538-Y3658 HydrophobicContact CD2-CD2 4.33Å; L3538-Y3658 HydrophobicContact CG-CE2 4.37Å; I3553-Y3658 HydrophobicContact CG2-CG 4.43Å; I3554-Y3658 PolarHBondContact O-N 3.16Å; S3555-Y3658 WeakPolarHBondContact CA-O 3.42Å; T3556-Y3658 PolarHBondContact N-O 2.86Å; T3556-Y3658 VanDerWaalsContact N-O 3.16Å; T3556-Y3658 PolarHBondContact OG1-O 3.42Å; T3556-Y3658 VanDerWaalsContact OG1-O 3.12Å; A3559-Y3658 HydrophobicContact CB-CD1 3.9Å; A3559-Y3658 HydrophobicContact CB-CE1 4.31Å; P3561-Y3658 HydrophobicContact CB-CD1 3.93Å; P3561-Y3658 HydrophobicContact CB-CD2 3.8Å; P3561-Y3658 HydrophobicContact CB-CE1 4.07Å; P3561-Y3658 HydrophobicContact CB-CE2 3.95Å; P3561-Y3658 HydrophobicContact CB-CG 3.8Å; P3561-Y3658 HydrophobicContact CG-CD1 4.41Å; P3561-Y3658 HydrophobicContact CG-CG 4.35Å; E3564-Y3658 VanDerWaalsContact OE2-CE2 3.25Å; E3564-Y3658 WeakPolarHBondContact OE2-CE2 3.46Å; E3564-Y3658 PolarHBondContact OE2-OH 3.08Å; F3656-Y3658 HydrophobicContact CD1-CD2 4.47Å; F3656-Y3658 AromaticContact CE1-CD2 3.91Å; F3656-Y3658 HydrophobicContact CE1-CD2 3.91Å
3659E83.4Confident83.6Confident34.5 Ų34.540.2 Ų40.216%0.16121%0.208CC..  trans-137.4155.4-178.4-5.7-173.6141.200110.9F3398 Q3399 T3556 I3657F3398-E3659 WeakPolarHBondContact CA-OE2 3.29Å; F3398-E3659 HydrophobicContact CD1-CG 4.19Å; Q3399-E3659 WeakPolarHBondContact CB-OE1 3.38Å; Q3399-E3659 WeakPolarHBondContact CG-OE1 3.48Å; Q3399-E3659 WeakPolarHBondContact CG-OE2 3.47Å; Q3399-E3659 PolarHBondContact N-OE1 2.96Å; Q3399-E3659 PolarHBondContact N-OE2 2.94Å; Q3399-E3659 VanDerWaalsContact NE2-CD 3.31Å; Q3399-E3659 PolarHBondContact NE2-OE1 3.44Å; T3556-E3659 HydrophobicContact CG2-CB 3.67Å; T3556-E3659 HydrophobicContact CG2-CG 3.38Å; T3556-E3659 WeakPolarHBondContact OG1-CA 3.45Å; T3556-E3659 WeakPolarHBondContact OG1-CB 3.28Å; I3657-E3659 HydrophobicContact CG2-CB 4.42Å; I3657-E3659 HydrophobicContact CG2-CG 3.94Å; I3657-E3659 WeakPolarHBondContact CG2-OE2 3.36Å
3660A78.2Confident83.2Confident35.5 Ų35.542.1 Ų42.129%0.29322%0.217SC..PPolyproline II helixtrans-59.5134.417200000110.3Q3399 S3662Q3399-A3660 PolarHBondContact NE2-O 3.22Å; Q3399-A3660 PolarHBondContact OE1-O 2.97Å; A3660-S3662 PolarHBondContact O-N 3.12Å
3661P75.3Confident82.9Confident8 Ų842.4 Ų42.45%0.05222%0.219CC..PPolyproline II helixtrans-63.7128.7178.8-3.92.6000113.3N3667 Q3670P3661-N3667 HydrophobicContact CB-CB 3.97Å; P3661-N3667 HydrophobicContact CG-CB 4.05Å; P3661-N3667 PolarHBondContact O-ND2 3.07Å; P3661-Q3670 HydrophobicContact CG-CB 4.25Å; P3661-Q3670 HydrophobicContact CG-CG 4.43Å; P3661-Q3670 VanDerWaalsContact CG-OE1 3.24Å
3662S75Confident82.6Confident41.5 Ų41.540.9 Ų40.929%0.2921%0.213SC..SBendtrans-80.5129.6172.959.80000113Q3399 K3532 A3660Q3399-S3662 VanDerWaalsContact OE1-CB 3.24Å; Q3399-S3662 PolarHBondContact OE1-OG 3.24Å; K3532-S3662 PolarHBondContact NZ-OG 3.14Å; A3660-S3662 PolarHBondContact O-N 3.12Å
3663G76.5Confident82.1Confident30 Ų3040.3 Ų40.331%0.30921%0.214SC..SBendtrans93.1122.3-179.500000111.7K3665 Q3666 N3667 E3703G3663-K3665 VanDerWaalsContact C-N 3.25Å; G3663-K3665 PolarHBondContact O-N 2.98Å; G3663-K3665 VanDerWaalsContact O-N 3.11Å; G3663-Q3666 PolarHBondContact O-N 3.48Å; G3663-N3667 PolarHBondContact O-N 3.38Å; G3663-N3667 VanDerWaalsContact O-N 3.08Å; G3663-E3703 VanDerWaalsContact C-OE2 3.25Å; G3663-E3703 WeakPolarHBondContact CA-OE1 3.14Å; G3663-E3703 VanDerWaalsContact CA-OE2 3.22Å; G3663-E3703 WeakPolarHBondContact CA-OE2 3.32Å; G3663-E3703 VanDerWaalsContact N-CD 3.3Å; G3663-E3703 PolarHBondContact N-OE1 3.4Å; G3663-E3703 PolarHBondContact N-OE2 3.12Å
3664L80.6Confident81.4Confident70.5 Ų70.541.8 Ų41.837%0.36923%0.225SC..Hα-helixtrans-46.2-41.1-177.7-174.368.6000114.2L3668 L3696 A3699 I3700 E3703L3664-L3668 HydrophobicContact CG-CD1 4.17Å; L3664-L3668 VanDerWaalsContact O-CB 3.25Å; L3664-L3668 WeakPolarHBondContact O-CB 3.42Å; L3664-L3668 VanDerWaalsContact O-CG 3.29Å; L3664-L3668 WeakPolarHBondContact O-CG 3.36Å; L3664-L3668 PolarHBondContact O-N 2.84Å; L3664-L3696 HydrophobicContact CD1-CD1 4.29Å; L3664-L3696 HydrophobicContact CD2-CD1 4.4Å; L3664-A3699 HydrophobicContact CD1-CB 3.76Å; L3664-I3700 HydrophobicContact CD1-CG1 3.76Å; L3664-I3700 HydrophobicContact CD2-CG1 4.49Å; L3664-E3703 HydrophobicContact CB-CG 4.21Å; L3664-E3703 HydrophobicContact CD1-CG 4.37Å; L3664-E3703 PolarHBondContact N-OE2 2.86Å
3665K79.2Confident80.5Confident156 Ų15642.1 Ų42.168%0.67823%0.226SC*.Hα-helixtrans-61.3-47.2177.4178.9-177.4173.8-1750112G3663 L3669G3663-K3665 VanDerWaalsContact C-N 3.25Å; G3663-K3665 PolarHBondContact O-N 2.98Å; G3663-K3665 VanDerWaalsContact O-N 3.11Å; K3665-L3669 HydrophobicContact CG-CD1 4Å; K3665-L3669 WeakPolarHBondContact O-CB 3.35Å; K3665-L3669 VanDerWaalsContact O-CG 3.23Å; K3665-L3669 WeakPolarHBondContact O-CG 3.4Å; K3665-L3669 PolarHBondContact O-N 3.07Å
3666Q76.8Confident79.4Confident75.5 Ų75.547.8 Ų47.835%0.35325%0.253SS..Hα-helixtrans-72.2-39.3-177.2-60.2-62.514.500110.6G3663 L3668 L3669 Q3670G3663-Q3666 PolarHBondContact O-N 3.48Å; Q3666-L3668 PolarHBondContact O-N 2.95Å; Q3666-L3669 PolarHBondContact O-N 3.41Å; Q3666-L3669 VanDerWaalsContact O-N 3.14Å; Q3666-Q3670 WeakPolarHBondContact O-CB 3.41Å; Q3666-Q3670 PolarHBondContact O-N 3.28Å
3667N82.9Confident78.2Confident0 Ų050.3 Ų50.30%028%0.276CS..Hα-helixtrans-60.2-46.6175.2-162.6-44000112.9P3661 G3663 L3669 Q3670 T3671 A3699 Q3702P3661-N3667 HydrophobicContact CB-CB 3.97Å; P3661-N3667 HydrophobicContact CG-CB 4.05Å; P3661-N3667 PolarHBondContact O-ND2 3.07Å; G3663-N3667 PolarHBondContact O-N 3.38Å; G3663-N3667 VanDerWaalsContact O-N 3.08Å; N3667-L3669 PolarHBondContact O-N 3Å; N3667-Q3670 PolarHBondContact O-N 2.91Å; N3667-T3671 VanDerWaalsContact O-CB 3.26Å; N3667-T3671 WeakPolarHBondContact O-CB 3.3Å; N3667-T3671 PolarHBondContact O-N 3.07Å; N3667-T3671 PolarHBondContact O-OG1 3.04Å; N3667-T3671 PolarHBondContact OD1-OG1 2.97Å; N3667-A3699 HydrophobicContact CB-CB 3.87Å; N3667-A3699 VanDerWaalsContact OD1-CA 3.26Å; N3667-A3699 WeakPolarHBondContact OD1-CA 3.2Å; N3667-A3699 WeakPolarHBondContact OD1-CB 3.43Å; N3667-Q3702 PolarHBondContact ND2-OE1 3.19Å; N3667-Q3702 PolarHBondContact OD1-OE1 3.35Å
3668L83.3Confident77Confident29 Ų2952.5 Ų52.515%0.15229%0.292CS..Hα-helixtrans-60.4-44.7171.9-130.3115.8000111.9L3664 Q3666 Q3670 T3671 W3672 F3692 S3695 L3696 A3699L3664-L3668 HydrophobicContact CG-CD1 4.17Å; L3664-L3668 VanDerWaalsContact O-CB 3.25Å; L3664-L3668 WeakPolarHBondContact O-CB 3.42Å; L3664-L3668 VanDerWaalsContact O-CG 3.29Å; L3664-L3668 WeakPolarHBondContact O-CG 3.36Å; L3664-L3668 PolarHBondContact O-N 2.84Å; Q3666-L3668 PolarHBondContact O-N 2.95Å; L3668-Q3670 PolarHBondContact O-N 3.31Å; L3668-T3671 PolarHBondContact O-N 3.43Å; L3668-W3672 WeakPolarHBondContact O-CB 3.36Å; L3668-W3672 PolarHBondContact O-N 3.09Å; L3668-F3692 HydrophobicContact CD1-CE2 4.22Å; L3668-F3692 HydrophobicContact CD2-CE2 4.28Å; L3668-F3692 HydrophobicContact CD2-CZ 4.15Å; L3668-S3695 WeakPolarHBondContact CD1-OG 3.45Å; L3668-L3696 HydrophobicContact CD1-CB 4.12Å; L3668-L3696 HydrophobicContact CD1-CD1 3.92Å; L3668-L3696 HydrophobicContact CD2-CB 4.14Å; L3668-L3696 HydrophobicContact CD2-CD1 4.3Å; L3668-L3696 HydrophobicContact CG-CD1 4.48Å; L3668-A3699 HydrophobicContact CB-CB 4.3Å; L3668-A3699 HydrophobicContact CD2-CB 4.16Å; L3668-A3699 HydrophobicContact CG-CB 4.04Å
3669L79.1Confident76Confident89 Ų8953.6 Ų53.647%0.46631%0.306SS..Hα-helixtrans-63.6-44.5179.8-76.6169.8000112.2K3665 Q3666 N3667 S3673K3665-L3669 HydrophobicContact CG-CD1 4Å; K3665-L3669 WeakPolarHBondContact O-CB 3.35Å; K3665-L3669 VanDerWaalsContact O-CG 3.23Å; K3665-L3669 WeakPolarHBondContact O-CG 3.4Å; K3665-L3669 PolarHBondContact O-N 3.07Å; Q3666-L3669 PolarHBondContact O-N 3.41Å; Q3666-L3669 VanDerWaalsContact O-N 3.14Å; N3667-L3669 PolarHBondContact O-N 3Å; L3669-S3673 WeakPolarHBondContact O-CB 3.37Å; L3669-S3673 PolarHBondContact O-N 3.19Å; L3669-S3673 PolarHBondContact O-OG 3.33Å
3670Q78Confident75.4Confident42.5 Ų42.553.1 Ų53.120%0.19930%0.304CS..Hα-helixtrans-64.3-51.3176.6-178.6173.1-15.100110.8P3661 Q3666 N3667 L3668 W3672 S3673 S3674P3661-Q3670 HydrophobicContact CG-CB 4.25Å; P3661-Q3670 HydrophobicContact CG-CG 4.43Å; P3661-Q3670 VanDerWaalsContact CG-OE1 3.24Å; Q3666-Q3670 WeakPolarHBondContact O-CB 3.41Å; Q3666-Q3670 PolarHBondContact O-N 3.28Å; N3667-Q3670 PolarHBondContact O-N 2.91Å; L3668-Q3670 PolarHBondContact O-N 3.31Å; Q3670-W3672 VanDerWaalsContact C-N 3.3Å; Q3670-W3672 PolarHBondContact O-N 2.88Å; Q3670-S3673 WeakPolarHBondContact CA-OG 3.42Å; Q3670-S3673 PolarHBondContact O-N 3.2Å; Q3670-S3673 VanDerWaalsContact O-N 3.09Å; Q3670-S3673 PolarHBondContact O-OG 3.28Å; Q3670-S3673 VanDerWaalsContact O-OG 3.05Å; Q3670-S3674 PolarHBondContact O-N 3.36Å; Q3670-S3674 VanDerWaalsContact O-N 3.1Å
3671T81.4Confident75Confident9 Ų960 Ų606%0.05533%0.328CS..Hα-helixtrans-59.4-41.9-179.4-55.50000111.3N3667 L3668 S3674 H3698 F3723N3667-T3671 VanDerWaalsContact O-CB 3.26Å; N3667-T3671 WeakPolarHBondContact O-CB 3.3Å; N3667-T3671 PolarHBondContact O-N 3.07Å; N3667-T3671 PolarHBondContact O-OG1 3.04Å; N3667-T3671 PolarHBondContact OD1-OG1 2.97Å; L3668-T3671 PolarHBondContact O-N 3.43Å; T3671-S3674 PolarHBondContact O-OG 3.18Å; T3671-H3698 HydrophobicContact CG2-CB 4.43Å; T3671-F3723 HydrophobicContact CG2-CD1 3.96Å; T3671-F3723 HydrophobicContact CG2-CD2 3.79Å; T3671-F3723 HydrophobicContact CG2-CE1 3.66Å; T3671-F3723 HydrophobicContact CG2-CE2 3.5Å; T3671-F3723 VanDerWaalsContact CG2-CE2 3.48Å; T3671-F3723 HydrophobicContact CG2-CG 4.02Å; T3671-F3723 HydrophobicContact CG2-CZ 3.41Å; T3671-F3723 VanDerWaalsContact CG2-CZ 3.48Å
3672W79.1Confident74.8Confident80 Ų8067.8 Ų67.830%0.30336%0.363SS..Hα-helixtrans-71.1-40.6177.1-169.2-103000113L3668 Q3670 S3674 Q3675 L3680 I3688 A3691 F3692L3668-W3672 WeakPolarHBondContact O-CB 3.36Å; L3668-W3672 PolarHBondContact O-N 3.09Å; Q3670-W3672 VanDerWaalsContact C-N 3.3Å; Q3670-W3672 PolarHBondContact O-N 2.88Å; W3672-S3674 VanDerWaalsContact C-N 3.26Å; W3672-S3674 PolarHBondContact O-N 2.86Å; W3672-Q3675 PolarHBondContact O-N 3.15Å; W3672-L3680 HydrophobicContact CH2-CD1 4.48Å; W3672-L3680 HydrophobicContact CH2-CD2 4.17Å; W3672-L3680 HydrophobicContact CZ2-CD1 4.25Å; W3672-I3688 HydrophobicContact CH2-CG2 4.19Å; W3672-A3691 HydrophobicContact CZ3-CB 4.2Å; W3672-F3692 HydrophobicContact CD2-CD2 4.25Å; W3672-F3692 HydrophobicContact CE3-CB 4.24Å; W3672-F3692 AromaticContact CE3-CD2 3.98Å; W3672-F3692 HydrophobicContact CE3-CD2 4.01Å; W3672-F3692 HydrophobicContact CH2-CB 3.98Å; W3672-F3692 HydrophobicContact CH2-CD2 4.01Å; W3672-F3692 HydrophobicContact CH2-CG 4.38Å; W3672-F3692 HydrophobicContact CZ2-CD2 4.45Å; W3672-F3692 HydrophobicContact CZ3-CB 3.7Å; W3672-F3692 AromaticContact CZ3-CD2 3.82Å; W3672-F3692 HydrophobicContact CZ3-CD2 3.97Å; W3672-F3692 HydrophobicContact CZ3-CG 4.35Å
3673S75.8Confident74.7Confident58.5 Ų58.567.8 Ų67.841%0.40936%0.359SS..Hα-helixtrans-68.8-20.3179.968.90000113.8Q3537 L3669 Q3670 Q3675Q3537-S3673 PolarHBondContact NE2-O 3.22Å; Q3537-S3673 PolarHBondContact NE2-OG 3.33Å; L3669-S3673 WeakPolarHBondContact O-CB 3.37Å; L3669-S3673 PolarHBondContact O-N 3.19Å; L3669-S3673 PolarHBondContact O-OG 3.33Å; Q3670-S3673 WeakPolarHBondContact CA-OG 3.42Å; Q3670-S3673 PolarHBondContact O-N 3.2Å; Q3670-S3673 VanDerWaalsContact O-N 3.09Å; Q3670-S3673 PolarHBondContact O-OG 3.28Å; Q3670-S3673 VanDerWaalsContact O-OG 3.05Å; S3673-Q3675 PolarHBondContact O-N 2.82Å
3674S73.6Confident74.6Confident38 Ų3868.8 Ų68.827%0.26636%0.361SS..THydrogen-bonded Turntrans-66-16.9173.775.60000113.2Q3670 T3671 W3672 Y3720Q3670-S3674 PolarHBondContact O-N 3.36Å; Q3670-S3674 VanDerWaalsContact O-N 3.1Å; T3671-S3674 PolarHBondContact O-OG 3.18Å; W3672-S3674 VanDerWaalsContact C-N 3.26Å; W3672-S3674 PolarHBondContact O-N 2.86Å; S3674-Y3720 WeakPolarHBondContact CB-OH 3.45Å; S3674-Y3720 WeakPolarHBondContact OG-CE2 3.43Å; S3674-Y3720 PolarHBondContact OG-OH 3.28Å; S3674-Y3720 VanDerWaalsContact OG-OH 3.08Å
3675Q73.2Confident74.3Confident25 Ų2568.8 Ų68.812%0.11736%0.364CS..SBendtrans-87.4130.2-178.9-60.4-164.7-800111.9W3672 S3673 A3677 L3680 L3727W3672-Q3675 PolarHBondContact O-N 3.15Å; S3673-Q3675 PolarHBondContact O-N 2.82Å; Q3675-A3677 PolarHBondContact O-N 3.36Å; Q3675-L3680 HydrophobicContact CB-CD1 3.78Å; Q3675-L3680 HydrophobicContact CB-CG 4.28Å; Q3675-L3727 HydrophobicContact CG-CD2 4.17Å; Q3675-L3727 VanDerWaalsContact NE2-CD1 3.3Å; Q3675-L3727 VanDerWaalsContact NE2-CD2 3.25Å
3676E67.8Low74Confident134.5 Ų134.562 Ų6263%0.62934%0.336SS*.  trans-64.4123.4178.5-106.6-165.5154.700111.5S3678 A3679 L3680E3676-S3678 VanDerWaalsContact CG-OG 3.3Å; E3676-S3678 WeakPolarHBondContact CG-OG 3.38Å; E3676-S3678 PolarHBondContact O-N 2.97Å; E3676-S3678 VanDerWaalsContact O-N 3.13Å; E3676-S3678 PolarHBondContact OE1-OG 3.31Å; E3676-S3678 PolarHBondContact OE2-OG 2.94Å; E3676-A3679 HydrophobicContact CB-CB 4.24Å; E3676-A3679 PolarHBondContact O-N 2.97Å; E3676-A3679 VanDerWaalsContact O-N 3.11Å; E3676-L3680 PolarHBondContact O-N 2.98Å
3677A65.4Low74.1Confident66 Ų6658.5 Ų58.555%0.54532%0.319SS..Hα-helixtrans-64.1-16.4-179.300000113.7Q3675 K3681Q3675-A3677 PolarHBondContact O-N 3.36Å; A3677-K3681 VanDerWaalsContact O-CD 3.28Å; A3677-K3681 WeakPolarHBondContact O-CD 3.37Å; A3677-K3681 VanDerWaalsContact O-CE 3.3Å; A3677-K3681 WeakPolarHBondContact O-CE 3.24Å; A3677-K3681 VanDerWaalsContact O-CG 3.31Å; A3677-K3681 WeakPolarHBondContact O-CG 3.39Å; A3677-K3681 PolarHBondContact O-N 3.44Å
3678S64.2Low73.9Confident57.5 Ų57.560.5 Ų60.540%0.40233%0.33SS..THydrogen-bonded Turntrans-73.1-51.817145.90000111.2E3676 L3680 K3681E3676-S3678 VanDerWaalsContact CG-OG 3.3Å; E3676-S3678 WeakPolarHBondContact CG-OG 3.38Å; E3676-S3678 PolarHBondContact O-N 2.97Å; E3676-S3678 VanDerWaalsContact O-N 3.13Å; E3676-S3678 PolarHBondContact OE1-OG 3.31Å; E3676-S3678 PolarHBondContact OE2-OG 2.94Å; S3678-L3680 PolarHBondContact O-N 3.45Å; S3678-K3681 WeakPolarHBondContact O-CB 3.35Å; S3678-K3681 PolarHBondContact O-N 3.04Å; S3678-K3681 VanDerWaalsContact O-N 3.11Å
3679A67.9Low73.7Confident44.5 Ų44.560.7 Ų60.737%0.36833%0.328SS..Hα-helixtrans-62-43179.200000111.5E3676 K3681 Q3682 L3683E3676-A3679 HydrophobicContact CB-CB 4.24Å; E3676-A3679 PolarHBondContact O-N 2.97Å; E3676-A3679 VanDerWaalsContact O-N 3.11Å; A3679-K3681 PolarHBondContact O-N 3.07Å; A3679-K3681 VanDerWaalsContact O-N 3.07Å; A3679-Q3682 PolarHBondContact O-N 2.79Å; A3679-L3683 WeakPolarHBondContact O-CG 3.27Å; A3679-L3683 PolarHBondContact O-N 3.34Å; A3679-L3683 VanDerWaalsContact O-N 3.13Å
3680L69.3Low73.7Confident25.5 Ų25.556.5 Ų56.513%0.13431%0.306CS..Hα-helixtrans-60.1-30.2177.2-83.7168.1000114W3672 Q3675 E3676 S3678 Q3682 L3683 I3688W3672-L3680 HydrophobicContact CH2-CD1 4.48Å; W3672-L3680 HydrophobicContact CH2-CD2 4.17Å; W3672-L3680 HydrophobicContact CZ2-CD1 4.25Å; Q3675-L3680 HydrophobicContact CB-CD1 3.78Å; Q3675-L3680 HydrophobicContact CB-CG 4.28Å; E3676-L3680 PolarHBondContact O-N 2.98Å; S3678-L3680 PolarHBondContact O-N 3.45Å; L3680-Q3682 PolarHBondContact O-N 3.43Å; L3680-L3683 PolarHBondContact O-N 2.95Å; L3680-I3688 HydrophobicContact CD2-CG1 4.3Å; L3680-I3688 VanDerWaalsContact O-CD1 3.24Å; L3680-I3688 WeakPolarHBondContact O-CD1 3.36Å
3681K70Confident74Confident180.5 Ų180.554.5 Ų54.579%0.78530%0.297SS*.Hα-helixtrans-77.1-20.6178.8-74172.8-1761750113.8A3677 S3678 A3679A3677-K3681 VanDerWaalsContact O-CD 3.28Å; A3677-K3681 WeakPolarHBondContact O-CD 3.37Å; A3677-K3681 VanDerWaalsContact O-CE 3.3Å; A3677-K3681 WeakPolarHBondContact O-CE 3.24Å; A3677-K3681 VanDerWaalsContact O-CG 3.31Å; A3677-K3681 WeakPolarHBondContact O-CG 3.39Å; A3677-K3681 PolarHBondContact O-N 3.44Å; S3678-K3681 WeakPolarHBondContact O-CB 3.35Å; S3678-K3681 PolarHBondContact O-N 3.04Å; S3678-K3681 VanDerWaalsContact O-N 3.11Å; A3679-K3681 PolarHBondContact O-N 3.07Å; A3679-K3681 VanDerWaalsContact O-N 3.07Å
3682Q72Confident74.1Confident170.5 Ų170.556.9 Ų56.980%0.79731%0.307SS*.Hα-helixtrans-88.6-22.9179.4-62.5-179.28.400112.2A3679 L3680A3679-Q3682 PolarHBondContact O-N 2.79Å; L3680-Q3682 PolarHBondContact O-N 3.43Å
3683L71.7Confident74.4Confident41 Ų4153.1 Ų53.122%0.21529%0.293CS..SBendtrans-73.4143.3-178.1-73.9170.1000112.1A3679 L3680 N3687 I3688 N3731A3679-L3683 WeakPolarHBondContact O-CG 3.27Å; A3679-L3683 PolarHBondContact O-N 3.34Å; A3679-L3683 VanDerWaalsContact O-N 3.13Å; L3680-L3683 PolarHBondContact O-N 2.95Å; L3683-N3687 HydrophobicContact CB-CB 4.09Å; L3683-N3687 HydrophobicContact CD1-CB 4.22Å; L3683-N3687 HydrophobicContact CD2-CB 4.19Å; L3683-N3687 HydrophobicContact CG-CB 4.36Å; L3683-I3688 HydrophobicContact CB-CG1 4.32Å; L3683-N3731 HydrophobicContact CD2-CB 4.46Å
3684P75Confident75Confident51 Ų5150.4 Ų50.433%0.33127%0.273SS..  trans-56147.1167.4-22.132.4000111.1S3686 N3687 I3688P3684-S3686 WeakPolarHBondContact CB-OG 3.28Å; P3684-S3686 PolarHBondContact O-N 3.16Å; P3684-N3687 WeakPolarHBondContact O-CB 3.38Å; P3684-N3687 PolarHBondContact O-N 3.02Å; P3684-I3688 PolarHBondContact O-N 3.14Å; P3684-I3688 VanDerWaalsContact O-N 3.16Å
3685T75Confident75.7Confident71 Ų7148.5 Ų48.544%0.43626%0.261SS..Hα-helixtrans-56.3-21.8177.8-17.40000113.6N3687 I3688 R3689 P3794 R3795 S3796T3685-N3687 VanDerWaalsContact C-N 3.35Å; T3685-N3687 PolarHBondContact O-N 3.31Å; T3685-I3688 HydrophobicContact CG2-CB 4.37Å; T3685-I3688 HydrophobicContact CG2-CD1 3.91Å; T3685-I3688 PolarHBondContact O-N 3.38Å; T3685-R3689 WeakPolarHBondContact O-CG 3.34Å; T3685-R3689 PolarHBondContact O-N 2.98Å; T3685-P3794 HydrophobicContact CG2-CB 4.45Å; T3685-R3795 WeakPolarHBondContact CB-O 3.23Å; T3685-R3795 PolarHBondContact OG1-O 3.48Å; T3685-S3796 CarbonylContact C-O 3.23Å
3686S73.2Confident76.4Confident13.5 Ų13.547.8 Ų47.89%0.09426%0.258CS..Hα-helixtrans-59.1-48172.87.30000111.4P3684 R3689 A3690 S3796 N3797P3684-S3686 WeakPolarHBondContact CB-OG 3.28Å; P3684-S3686 PolarHBondContact O-N 3.16Å; S3686-R3689 WeakPolarHBondContact O-CB 3.43Å; S3686-R3689 PolarHBondContact O-N 3.06Å; S3686-A3690 WeakPolarHBondContact O-CB 3.32Å; S3686-A3690 PolarHBondContact O-N 3.12Å; S3686-S3796 WeakPolarHBondContact CA-O 3.37Å; S3686-S3796 VanDerWaalsContact N-C 3.31Å; S3686-S3796 PolarHBondContact N-O 3.25Å; S3686-S3796 VanDerWaalsContact OG-C 3.23Å; S3686-S3796 PolarHBondContact OG-O 3.43Å; S3686-N3797 VanDerWaalsContact CB-C 3.44Å; S3686-N3797 VanDerWaalsContact CB-CA 3.47Å; S3686-N3797 PolarHBondContact OG-N 3.25Å; S3686-N3797 PolarHBondContact OG-O 3.39Å
3687N78.3Confident77.5Confident1 Ų141.4 Ų41.41%0.00523%0.228CC..Hα-helixtrans-71-38.5179.9-59.448.3000109.9L3683 P3684 T3685 R3689 A3690 A3691 N3731L3683-N3687 HydrophobicContact CB-CB 4.09Å; L3683-N3687 HydrophobicContact CD1-CB 4.22Å; L3683-N3687 HydrophobicContact CD2-CB 4.19Å; L3683-N3687 HydrophobicContact CG-CB 4.36Å; P3684-N3687 WeakPolarHBondContact O-CB 3.38Å; P3684-N3687 PolarHBondContact O-N 3.02Å; T3685-N3687 VanDerWaalsContact C-N 3.35Å; T3685-N3687 PolarHBondContact O-N 3.31Å; N3687-R3689 VanDerWaalsContact C-N 3.35Å; N3687-R3689 PolarHBondContact O-N 3.44Å; N3687-A3690 PolarHBondContact O-N 2.89Å; N3687-A3691 WeakPolarHBondContact O-CB 3.3Å; N3687-A3691 PolarHBondContact O-N 3.13Å; N3687-N3731 WeakPolarHBondContact CB-OD1 3.5Å; N3687-N3731 WeakPolarHBondContact ND2-CA 3.27Å; N3687-N3731 PolarHBondContact ND2-O 3.18Å; N3687-N3731 VanDerWaalsContact ND2-O 3.12Å; N3687-N3731 PolarHBondContact ND2-OD1 2.63Å
3688I78.5Confident78.6Confident42 Ų4238.4 Ų38.422%0.21520%0.203CC..Hα-helixtrans-62.2-42174.7-56.2176.6000110.9W3672 L3680 L3683 P3684 T3685 A3691 F3692 P3794W3672-I3688 HydrophobicContact CH2-CG2 4.19Å; L3680-I3688 HydrophobicContact CD2-CG1 4.3Å; L3680-I3688 VanDerWaalsContact O-CD1 3.24Å; L3680-I3688 WeakPolarHBondContact O-CD1 3.36Å; L3683-I3688 HydrophobicContact CB-CG1 4.32Å; P3684-I3688 PolarHBondContact O-N 3.14Å; P3684-I3688 VanDerWaalsContact O-N 3.16Å; T3685-I3688 HydrophobicContact CG2-CB 4.37Å; T3685-I3688 HydrophobicContact CG2-CD1 3.91Å; T3685-I3688 PolarHBondContact O-N 3.38Å; I3688-A3691 PolarHBondContact O-N 3.1Å; I3688-F3692 WeakPolarHBondContact O-CB 3.44Å; I3688-F3692 PolarHBondContact O-N 2.83Å; I3688-F3692 VanDerWaalsContact O-N 3.14Å; I3688-P3794 HydrophobicContact CG2-CG 4.13Å
3689R78.7Confident79.8Confident34 Ų3435.7 Ų35.713%0.12818%0.183CC..Hα-helixtrans-63.7-44.9173.1-75.1-173177164.61.5112.2T3685 S3686 N3687 F3692 A3693 W3742 L3779 S3781 D3782 L3793 P3794T3685-R3689 WeakPolarHBondContact O-CG 3.34Å; T3685-R3689 PolarHBondContact O-N 2.98Å; S3686-R3689 WeakPolarHBondContact O-CB 3.43Å; S3686-R3689 PolarHBondContact O-N 3.06Å; N3687-R3689 VanDerWaalsContact C-N 3.35Å; N3687-R3689 PolarHBondContact O-N 3.44Å; R3689-F3692 PolarHBondContact O-N 3.24Å; R3689-A3693 WeakPolarHBondContact O-CB 3.41Å; R3689-A3693 PolarHBondContact O-N 3.24Å; R3689-W3742 HydrophobicContact CB-CH2 4Å; R3689-L3779 HydrophobicContact CB-CD2 4.11Å; R3689-L3779 HydrophobicContact CB-CG 4.49Å; R3689-L3779 VanDerWaalsContact CD-O 3.26Å; R3689-L3779 WeakPolarHBondContact CD-O 3.29Å; R3689-L3779 HydrophobicContact CG-CD2 4.4Å; R3689-L3779 VanDerWaalsContact NH1-C 3.32Å; R3689-L3779 PolarHBondContact NH1-O 3.31Å; R3689-S3781 PolarHBondContact NH1-O 3.06Å; R3689-S3781 PolarHBondContact NH2-O 2.92Å; R3689-D3782 IonicContact CZ-OD1 3.43Å; R3689-D3782 IonicContact NH1-OD1 3.64Å; R3689-D3782 IonicContact NH2-OD1 3.24Å; R3689-D3782 PolarHBondContact NH2-OD1 3.33Å; R3689-L3793 PolarHBondContact NH2-O 3.26Å; R3689-P3794 VanDerWaalsContact CD-O 3.23Å; R3689-P3794 WeakPolarHBondContact CD-O 3.43Å; R3689-P3794 WeakPolarHBondContact CG-O 3.42Å; R3689-P3794 PolarHBondContact NE-O 3.31Å
3690A80.7Confident80.8Confident0.5 Ų0.534.5 Ų34.50%0.00417%0.17CC..Hα-helixtrans-64.8-41.8179.500000111.9S3686 N3687 F3692 A3693 L3694 A3730 L3734 W3742S3686-A3690 WeakPolarHBondContact O-CB 3.32Å; S3686-A3690 PolarHBondContact O-N 3.12Å; N3687-A3690 PolarHBondContact O-N 2.89Å; A3690-F3692 VanDerWaalsContact C-N 3.29Å; A3690-F3692 PolarHBondContact O-N 3.04Å; A3690-A3693 PolarHBondContact O-N 3.08Å; A3690-L3694 VanDerWaalsContact O-CB 3.32Å; A3690-L3694 WeakPolarHBondContact O-CB 3.4Å; A3690-L3694 PolarHBondContact O-N 3.1Å; A3690-A3730 HydrophobicContact CB-CB 4.16Å; A3690-L3734 HydrophobicContact CB-CD1 3.25Å; A3690-W3742 HydrophobicContact CB-CH2 3.83Å; A3690-W3742 HydrophobicContact CB-CZ3 4.01Å
3691A83Confident81.7Confident0.5 Ų0.533.2 Ų33.20%0.00416%0.164CC..Hα-helixtrans-59.3-42.7173.600000111.5W3672 N3687 I3688 L3694 S3695 L3727W3672-A3691 HydrophobicContact CZ3-CB 4.2Å; N3687-A3691 WeakPolarHBondContact O-CB 3.3Å; N3687-A3691 PolarHBondContact O-N 3.13Å; I3688-A3691 PolarHBondContact O-N 3.1Å; A3691-L3694 PolarHBondContact O-N 3.07Å; A3691-S3695 WeakPolarHBondContact O-CB 3.44Å; A3691-S3695 PolarHBondContact O-N 3.12Å; A3691-S3695 PolarHBondContact O-OG 3.43Å; A3691-L3727 HydrophobicContact CB-CD1 3.67Å
3692F83.9Confident82.6Confident60 Ų6025.6 Ų25.626%0.26313%0.131SC..Hα-helixtrans-68.6-43176.4-173.6-97.3000112.4L3668 W3672 I3688 R3689 A3690 L3694 S3695 L3696 L3791 L3793L3668-F3692 HydrophobicContact CD1-CE2 4.22Å; L3668-F3692 HydrophobicContact CD2-CE2 4.28Å; L3668-F3692 HydrophobicContact CD2-CZ 4.15Å; W3672-F3692 HydrophobicContact CD2-CD2 4.25Å; W3672-F3692 HydrophobicContact CE3-CB 4.24Å; W3672-F3692 AromaticContact CE3-CD2 3.98Å; W3672-F3692 HydrophobicContact CE3-CD2 4.01Å; W3672-F3692 HydrophobicContact CH2-CB 3.98Å; W3672-F3692 HydrophobicContact CH2-CD2 4.01Å; W3672-F3692 HydrophobicContact CH2-CG 4.38Å; W3672-F3692 HydrophobicContact CZ2-CD2 4.45Å; W3672-F3692 HydrophobicContact CZ3-CB 3.7Å; W3672-F3692 AromaticContact CZ3-CD2 3.82Å; W3672-F3692 HydrophobicContact CZ3-CD2 3.97Å; W3672-F3692 HydrophobicContact CZ3-CG 4.35Å; I3688-F3692 WeakPolarHBondContact O-CB 3.44Å; I3688-F3692 PolarHBondContact O-N 2.83Å; I3688-F3692 VanDerWaalsContact O-N 3.14Å; R3689-F3692 PolarHBondContact O-N 3.24Å; A3690-F3692 VanDerWaalsContact C-N 3.29Å; A3690-F3692 PolarHBondContact O-N 3.04Å; F3692-L3694 VanDerWaalsContact C-N 3.3Å; F3692-L3694 PolarHBondContact O-N 2.87Å; F3692-S3695 PolarHBondContact O-N 3.22Å; F3692-S3695 VanDerWaalsContact O-N 3.17Å; F3692-S3695 PolarHBondContact O-OG 3.24Å; F3692-S3695 VanDerWaalsContact O-OG 3.12Å; F3692-L3696 VanDerWaalsContact O-CB 3.29Å; F3692-L3696 WeakPolarHBondContact O-CB 3.18Å; F3692-L3696 PolarHBondContact O-N 3.07Å; F3692-L3791 HydrophobicContact CZ-CD2 4.36Å; F3692-L3793 HydrophobicContact CD1-CD2 4.49Å
3693A85.5Confident83.2Confident0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-63-37.1174.700000111.9R3689 A3690 L3696 L3697 L3774 F3775 L3779R3689-A3693 WeakPolarHBondContact O-CB 3.41Å; R3689-A3693 PolarHBondContact O-N 3.24Å; A3690-A3693 PolarHBondContact O-N 3.08Å; A3693-L3696 PolarHBondContact O-N 2.99Å; A3693-L3697 WeakPolarHBondContact O-CB 3.49Å; A3693-L3697 PolarHBondContact O-N 3.17Å; A3693-L3774 WeakPolarHBondContact CB-O 3.37Å; A3693-F3775 HydrophobicContact CB-CE1 4.39Å; A3693-F3775 HydrophobicContact CB-CE2 4.22Å; A3693-F3775 HydrophobicContact CB-CZ 4.05Å; A3693-L3779 HydrophobicContact CB-CD2 4.12Å
3694L88.9Confident83.9Confident1 Ų118.4 Ų18.41%0.00510%0.095CC..Hα-helixtrans-70.4-41.1176-175.661.9000112A3690 A3691 F3692 L3696 L3697 H3698 F3723 L3727 L3749 Y3754 F3775A3690-L3694 VanDerWaalsContact O-CB 3.32Å; A3690-L3694 WeakPolarHBondContact O-CB 3.4Å; A3690-L3694 PolarHBondContact O-N 3.1Å; A3691-L3694 PolarHBondContact O-N 3.07Å; F3692-L3694 VanDerWaalsContact C-N 3.3Å; F3692-L3694 PolarHBondContact O-N 2.87Å; L3694-L3696 VanDerWaalsContact C-N 3.3Å; L3694-L3696 PolarHBondContact O-N 3.07Å; L3694-L3697 HydrophobicContact CD1-CD2 4.16Å; L3694-L3697 PolarHBondContact O-N 3.15Å; L3694-H3698 WeakPolarHBondContact O-CB 3.4Å; L3694-H3698 PolarHBondContact O-N 3.33Å; L3694-F3723 HydrophobicContact CB-CE2 4.38Å; L3694-F3723 HydrophobicContact CD2-CD2 4.11Å; L3694-F3723 HydrophobicContact CD2-CE2 4.13Å; L3694-F3723 HydrophobicContact CG-CD2 3.86Å; L3694-F3723 HydrophobicContact CG-CE2 3.93Å; L3694-L3727 HydrophobicContact CD2-CB 4.03Å; L3694-L3727 VanDerWaalsContact CD2-N 3.28Å; L3694-L3749 HydrophobicContact CD1-CD1 4.12Å; L3694-L3749 HydrophobicContact CD1-CD2 3.61Å; L3694-Y3754 HydrophobicContact CD1-CE2 4.3Å; L3694-F3775 HydrophobicContact CB-CZ 4.08Å; L3694-F3775 HydrophobicContact CD1-CZ 4.44Å
3695S87.5Confident84.3Confident0 Ų017.1 Ų17.10%08%0.083CC..Hα-helixtrans-65.2-36.8175.368.50000111.4L3668 A3691 F3692 A3699L3668-S3695 WeakPolarHBondContact CD1-OG 3.45Å; A3691-S3695 WeakPolarHBondContact O-CB 3.44Å; A3691-S3695 PolarHBondContact O-N 3.12Å; A3691-S3695 PolarHBondContact O-OG 3.43Å; F3692-S3695 PolarHBondContact O-N 3.22Å; F3692-S3695 VanDerWaalsContact O-N 3.17Å; F3692-S3695 PolarHBondContact O-OG 3.24Å; F3692-S3695 VanDerWaalsContact O-OG 3.12Å; S3695-A3699 WeakPolarHBondContact O-CB 3.32Å; S3695-A3699 PolarHBondContact O-N 3.44Å
3696L87.8Confident84.5Confident10 Ų1018.2 Ų18.25%0.0529%0.09CC..Hα-helixtrans-68.5-42.3173.2-177.359.1000112.3L3664 L3668 F3692 A3693 L3694 A3699 I3700 L3774 L3787L3664-L3696 HydrophobicContact CD1-CD1 4.29Å; L3664-L3696 HydrophobicContact CD2-CD1 4.4Å; L3668-L3696 HydrophobicContact CD1-CB 4.12Å; L3668-L3696 HydrophobicContact CD1-CD1 3.92Å; L3668-L3696 HydrophobicContact CD2-CB 4.14Å; L3668-L3696 HydrophobicContact CD2-CD1 4.3Å; L3668-L3696 HydrophobicContact CG-CD1 4.48Å; F3692-L3696 VanDerWaalsContact O-CB 3.29Å; F3692-L3696 WeakPolarHBondContact O-CB 3.18Å; F3692-L3696 PolarHBondContact O-N 3.07Å; A3693-L3696 PolarHBondContact O-N 2.99Å; L3694-L3696 VanDerWaalsContact C-N 3.3Å; L3694-L3696 PolarHBondContact O-N 3.07Å; L3696-A3699 PolarHBondContact O-N 3.36Å; L3696-I3700 HydrophobicContact CD1-CD1 3.98Å; L3696-I3700 HydrophobicContact CD1-CG1 4.26Å; L3696-I3700 HydrophobicContact CG-CD1 3.92Å; L3696-I3700 WeakPolarHBondContact O-CB 3.34Å; L3696-I3700 WeakPolarHBondContact O-CD1 3.34Å; L3696-I3700 VanDerWaalsContact O-CG1 3.24Å; L3696-I3700 WeakPolarHBondContact O-CG1 3.33Å; L3696-I3700 PolarHBondContact O-N 3Å; L3696-L3774 HydrophobicContact CD2-CD2 3.68Å; L3696-L3774 HydrophobicContact CG-CD2 4.12Å; L3696-L3787 HydrophobicContact CD2-CD1 4.14Å
3697L90.1Very high84.8Confident0 Ų022.3 Ų22.30%010%0.104CC..Hα-helixtrans-57.8-50.8172.9178.274.7000110.6A3693 L3694 A3699 I3700 C3701 L3749 Y3754 L3767 L3770 L3771 L3774 F3775A3693-L3697 WeakPolarHBondContact O-CB 3.49Å; A3693-L3697 PolarHBondContact O-N 3.17Å; L3694-L3697 HydrophobicContact CD1-CD2 4.16Å; L3694-L3697 PolarHBondContact O-N 3.15Å; L3697-A3699 VanDerWaalsContact C-N 3.31Å; L3697-A3699 PolarHBondContact O-N 3.02Å; L3697-I3700 PolarHBondContact O-N 3.25Å; L3697-C3701 WeakPolarHBondContact O-CB 3.4Å; L3697-C3701 PolarHBondContact O-N 3.15Å; L3697-C3701 PolarHBondContact O-SG 2.89Å; L3697-C3701 VanDerWaalsContact O-SG 3.33Å; L3697-L3749 HydrophobicContact CD2-CD1 4.44Å; L3697-Y3754 HydrophobicContact CD2-CD2 4.31Å; L3697-Y3754 HydrophobicContact CD2-CE2 4.08Å; L3697-L3767 HydrophobicContact CD1-CD1 4.39Å; L3697-L3770 HydrophobicContact CD1-CB 4.15Å; L3697-L3771 HydrophobicContact CD1-CD2 4.11Å; L3697-L3771 HydrophobicContact CD1-CG 4.29Å; L3697-L3771 HydrophobicContact CD2-CD2 3.49Å; L3697-L3771 VanDerWaalsContact CD2-CD2 3.46Å; L3697-L3771 HydrophobicContact CD2-CG 4.38Å; L3697-L3771 HydrophobicContact CG-CD2 4.45Å; L3697-L3774 HydrophobicContact CB-CD1 3.75Å; L3697-L3774 HydrophobicContact CD1-CD1 3.82Å; L3697-L3774 HydrophobicContact CG-CD1 4.33Å; L3697-F3775 HydrophobicContact CD2-CE2 4.32Å
3698H90.5Very high84.8Confident3 Ų325.4 Ų25.41%0.01412%0.12CC..Hα-helixtrans-59-47.1-178.8-16772.3000111.1T3671 L3694 I3700 C3701 Q3702 T3719 F3723 Y3754T3671-H3698 HydrophobicContact CG2-CB 4.43Å; L3694-H3698 WeakPolarHBondContact O-CB 3.4Å; L3694-H3698 PolarHBondContact O-N 3.33Å; H3698-I3700 PolarHBondContact O-N 3.23Å; H3698-C3701 PolarHBondContact O-N 3.44Å; H3698-C3701 VanDerWaalsContact O-N 3.13Å; H3698-Q3702 PolarHBondContact NE2-NE2 3.06Å; H3698-Q3702 WeakPolarHBondContact O-CG 3.37Å; H3698-Q3702 PolarHBondContact O-N 3.13Å; H3698-T3719 PolarHBondContact CE1-O 2.91Å; H3698-F3723 HydrophobicContact CB-CD2 4.12Å; H3698-Y3754 AromaticContact ND1-CE1 3.86Å; H3698-Y3754 AromaticContact ND1-CZ 3.81Å; H3698-Y3754 PolarHBondContact ND1-OH 2.91Å
3699A87.7Confident84.8Confident0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-61.6-42.6177.400000112.7L3664 N3667 L3668 S3695 L3696 L3697 Q3702 E3703L3664-A3699 HydrophobicContact CD1-CB 3.76Å; N3667-A3699 HydrophobicContact CB-CB 3.87Å; N3667-A3699 VanDerWaalsContact OD1-CA 3.26Å; N3667-A3699 WeakPolarHBondContact OD1-CA 3.2Å; N3667-A3699 WeakPolarHBondContact OD1-CB 3.43Å; L3668-A3699 HydrophobicContact CB-CB 4.3Å; L3668-A3699 HydrophobicContact CD2-CB 4.16Å; L3668-A3699 HydrophobicContact CG-CB 4.04Å; S3695-A3699 WeakPolarHBondContact O-CB 3.32Å; S3695-A3699 PolarHBondContact O-N 3.44Å; L3696-A3699 PolarHBondContact O-N 3.36Å; L3697-A3699 VanDerWaalsContact C-N 3.31Å; L3697-A3699 PolarHBondContact O-N 3.02Å; A3699-Q3702 PolarHBondContact O-N 2.82Å; A3699-E3703 VanDerWaalsContact O-CB 3.28Å; A3699-E3703 WeakPolarHBondContact O-CB 3.41Å; A3699-E3703 VanDerWaalsContact O-CG 3.22Å; A3699-E3703 WeakPolarHBondContact O-CG 3.36Å; A3699-E3703 PolarHBondContact O-N 3.16Å
3700I88.8Confident84.8Confident18.5 Ų18.528.7 Ų28.710%0.09514%0.141CC..Hα-helixtrans-63.9-44.4175-69.3165.9000110.8L3664 L3696 L3697 H3698 Q3702 E3703 R3704 L3770 L3774 L3791L3664-I3700 HydrophobicContact CD1-CG1 3.76Å; L3664-I3700 HydrophobicContact CD2-CG1 4.49Å; L3696-I3700 HydrophobicContact CD1-CD1 3.98Å; L3696-I3700 HydrophobicContact CD1-CG1 4.26Å; L3696-I3700 HydrophobicContact CG-CD1 3.92Å; L3696-I3700 WeakPolarHBondContact O-CB 3.34Å; L3696-I3700 WeakPolarHBondContact O-CD1 3.34Å; L3696-I3700 VanDerWaalsContact O-CG1 3.24Å; L3696-I3700 WeakPolarHBondContact O-CG1 3.33Å; L3696-I3700 PolarHBondContact O-N 3Å; L3697-I3700 PolarHBondContact O-N 3.25Å; H3698-I3700 PolarHBondContact O-N 3.23Å; I3700-Q3702 VanDerWaalsContact C-N 3.3Å; I3700-Q3702 PolarHBondContact O-N 3.03Å; I3700-E3703 PolarHBondContact O-N 2.95Å; I3700-R3704 HydrophobicContact CG2-CG 4.32Å; I3700-R3704 WeakPolarHBondContact O-CB 3.36Å; I3700-R3704 VanDerWaalsContact O-CG 3.29Å; I3700-R3704 WeakPolarHBondContact O-CG 3.41Å; I3700-R3704 PolarHBondContact O-N 3.11Å; I3700-L3770 HydrophobicContact CG2-CD1 4.02Å; I3700-L3770 HydrophobicContact CG2-CD2 4.08Å; I3700-L3774 HydrophobicContact CD1-CD1 4.23Å; I3700-L3791 HydrophobicContact CD1-CD2 4.5Å
3701C89.8Confident84.8Confident0 Ų028.8 Ų28.80%014%0.143CC..Hα-helixtrans-63.6-38.3-179.3-71.20000112.3L3697 H3698 W3712 F3718 Y3754L3697-C3701 WeakPolarHBondContact O-CB 3.4Å; L3697-C3701 PolarHBondContact O-N 3.15Å; L3697-C3701 PolarHBondContact O-SG 2.89Å; L3697-C3701 VanDerWaalsContact O-SG 3.33Å; H3698-C3701 PolarHBondContact O-N 3.44Å; H3698-C3701 VanDerWaalsContact O-N 3.13Å; C3701-W3712 HydrophobicContact CB-CZ2 4.24Å; C3701-W3712 PolarHBondContact O-NE1 3.36Å; C3701-F3718 HydrophobicContact CB-CD2 3.64Å; C3701-F3718 HydrophobicContact CB-CE2 3.76Å; C3701-F3718 HydrophobicContact CB-CG 4.34Å; C3701-F3718 HydrophobicContact CB-CZ 4.49Å; C3701-Y3754 HydrophobicContact CB-CD1 4.35Å; C3701-Y3754 HydrophobicContact CB-CE1 4.3Å
3702Q87.5Confident85Confident21 Ų2128.8 Ų28.810%0.09814%0.142CC..Hα-helixtrans-69.5-48.8173.2-70.9-168.1-19.200112.1N3667 H3698 A3699 I3700 R3704 R3705 F3718N3667-Q3702 PolarHBondContact ND2-OE1 3.19Å; N3667-Q3702 PolarHBondContact OD1-OE1 3.35Å; H3698-Q3702 PolarHBondContact NE2-NE2 3.06Å; H3698-Q3702 WeakPolarHBondContact O-CG 3.37Å; H3698-Q3702 PolarHBondContact O-N 3.13Å; A3699-Q3702 PolarHBondContact O-N 2.82Å; I3700-Q3702 VanDerWaalsContact C-N 3.3Å; I3700-Q3702 PolarHBondContact O-N 3.03Å; Q3702-R3704 VanDerWaalsContact C-N 3.29Å; Q3702-R3704 PolarHBondContact O-N 2.7Å; Q3702-R3705 VanDerWaalsContact O-CB 3.25Å; Q3702-R3705 WeakPolarHBondContact O-CB 3.38Å; Q3702-R3705 VanDerWaalsContact O-CG 3.27Å; Q3702-R3705 WeakPolarHBondContact O-CG 3.42Å; Q3702-R3705 PolarHBondContact O-N 3.44Å; Q3702-R3705 VanDerWaalsContact O-N 3.13Å; Q3702-F3718 PolarHBondContact NE2-O 2.93Å; Q3702-F3718 VanDerWaalsContact NE2-O 3.15Å
3703E85.4Confident84.8Confident24 Ų2427.6 Ų27.611%0.11214%0.141CC..Hα-helixtrans-61.1-35.1-178.4-77.3-74.1107.600113.1G3663 L3664 A3699 I3700 R3705 T3706 Y3707G3663-E3703 VanDerWaalsContact C-OE2 3.25Å; G3663-E3703 WeakPolarHBondContact CA-OE1 3.14Å; G3663-E3703 VanDerWaalsContact CA-OE2 3.22Å; G3663-E3703 WeakPolarHBondContact CA-OE2 3.32Å; G3663-E3703 VanDerWaalsContact N-CD 3.3Å; G3663-E3703 PolarHBondContact N-OE1 3.4Å; G3663-E3703 PolarHBondContact N-OE2 3.12Å; L3664-E3703 HydrophobicContact CB-CG 4.21Å; L3664-E3703 HydrophobicContact CD1-CG 4.37Å; L3664-E3703 PolarHBondContact N-OE2 2.86Å; A3699-E3703 VanDerWaalsContact O-CB 3.28Å; A3699-E3703 WeakPolarHBondContact O-CB 3.41Å; A3699-E3703 VanDerWaalsContact O-CG 3.22Å; A3699-E3703 WeakPolarHBondContact O-CG 3.36Å; A3699-E3703 PolarHBondContact O-N 3.16Å; I3700-E3703 PolarHBondContact O-N 2.95Å; E3703-R3705 PolarHBondContact O-N 2.86Å; E3703-R3705 VanDerWaalsContact O-N 3.15Å; E3703-T3706 VanDerWaalsContact O-CB 3.27Å; E3703-T3706 WeakPolarHBondContact O-CB 3.45Å; E3703-T3706 PolarHBondContact O-N 3.08Å; E3703-T3706 VanDerWaalsContact O-N 3.07Å; E3703-T3706 PolarHBondContact O-OG1 2.83Å; E3703-Y3707 WeakPolarHBondContact O-CD2 3.34Å
3704R86.7Confident84.7Confident35.5 Ų35.532.5 Ų32.513%0.13416%0.163CC..G310 helixtrans-62.4-20176.6-75.5-177.477.7987.2113.6I3700 Q3702 T3706 Y3707 G3711 W3712 L4045 K4047I3700-R3704 HydrophobicContact CG2-CG 4.32Å; I3700-R3704 WeakPolarHBondContact O-CB 3.36Å; I3700-R3704 VanDerWaalsContact O-CG 3.29Å; I3700-R3704 WeakPolarHBondContact O-CG 3.41Å; I3700-R3704 PolarHBondContact O-N 3.11Å; Q3702-R3704 VanDerWaalsContact C-N 3.29Å; Q3702-R3704 PolarHBondContact O-N 2.7Å; R3704-T3706 VanDerWaalsContact C-N 3.32Å; R3704-T3706 PolarHBondContact O-N 3.37Å; R3704-Y3707 PolarHBondContact O-N 3.18Å; R3704-Y3707 VanDerWaalsContact O-N 3.1Å; R3704-G3711 VanDerWaalsContact CZ-O 3.24Å; R3704-G3711 PolarHBondContact NE-O 3.1Å; R3704-G3711 PolarHBondContact NH2-O 3.22Å; R3704-G3711 WeakPolarHBondContact O-CA 3.39Å; R3704-W3712 HydrophobicContact CB-CD2 4.21Å; R3704-W3712 HydrophobicContact CB-CG 4.19Å; R3704-W3712 HydrophobicContact CB-CZ2 4.35Å; R3704-L4045 PolarHBondContact NH1-O 2.82Å; R3704-L4045 PolarHBondContact NH2-O 2.93Å; R3704-K4047 VanDerWaalsContact NH2-CG 3.29Å
3705R83.2Confident84.4Confident23.5 Ų23.537 Ų379%0.08918%0.182CC..G310 helixtrans-65.5-25.6172.5-58.1-179.4-166146.79.1113.1Q3702 E3703 Y3707 I3708 F3715 Y3716 F3718Q3702-R3705 VanDerWaalsContact O-CB 3.25Å; Q3702-R3705 WeakPolarHBondContact O-CB 3.38Å; Q3702-R3705 VanDerWaalsContact O-CG 3.27Å; Q3702-R3705 WeakPolarHBondContact O-CG 3.42Å; Q3702-R3705 PolarHBondContact O-N 3.44Å; Q3702-R3705 VanDerWaalsContact O-N 3.13Å; E3703-R3705 PolarHBondContact O-N 2.86Å; E3703-R3705 VanDerWaalsContact O-N 3.15Å; R3705-Y3707 PolarHBondContact O-N 3.4Å; R3705-I3708 HydrophobicContact CB-CD1 4.22Å; R3705-I3708 VanDerWaalsContact O-CD1 3.26Å; R3705-I3708 WeakPolarHBondContact O-CD1 3.47Å; R3705-I3708 VanDerWaalsContact O-CG1 3.26Å; R3705-I3708 WeakPolarHBondContact O-CG1 3.48Å; R3705-I3708 PolarHBondContact O-N 3.18Å; R3705-F3715 HydrophobicContact CB-CD2 4.24Å; R3705-F3715 HydrophobicContact CB-CE2 4.21Å; R3705-F3715 HydrophobicContact CG-CD2 4.42Å; R3705-F3715 HydrophobicContact CG-CE2 4.43Å; R3705-Y3716 PolarHBondContact NE-O 3.37Å; R3705-Y3716 PolarHBondContact NH2-O 3.44Å; R3705-F3718 VanDerWaalsContact NH2-C 3.35Å; R3705-F3718 VanDerWaalsContact NH2-CA 3.28Å; R3705-F3718 VanDerWaalsContact NH2-CB 3.26Å; R3705-F3718 VanDerWaalsContact NH2-CG 3.34Å; R3705-F3718 PolarHBondContact NH2-O 2.89Å
3706T79Confident84.3Confident93.5 Ų93.537.4 Ų37.457%0.57418%0.184SC*.G310 helixtrans-65-18.6178.3-48.20000112.2E3703 R3704E3703-T3706 VanDerWaalsContact O-CB 3.27Å; E3703-T3706 WeakPolarHBondContact O-CB 3.45Å; E3703-T3706 PolarHBondContact O-N 3.08Å; E3703-T3706 VanDerWaalsContact O-N 3.07Å; E3703-T3706 PolarHBondContact O-OG1 2.83Å; R3704-T3706 VanDerWaalsContact C-N 3.32Å; R3704-T3706 PolarHBondContact O-N 3.37Å
3707Y79.7Confident84.1Confident100 Ų10039.9 Ų39.939%0.39220%0.195SC..G310 helixtrans-116.128.9-172-54.9-76.7000113.2E3703 R3704 R3705 Q3710 G3711 L3793 P3794E3703-Y3707 WeakPolarHBondContact O-CD2 3.34Å; R3704-Y3707 PolarHBondContact O-N 3.18Å; R3704-Y3707 VanDerWaalsContact O-N 3.1Å; R3705-Y3707 PolarHBondContact O-N 3.4Å; Y3707-Q3710 CarbonylContact O-C 3.54Å; Y3707-Q3710 WeakPolarHBondContact O-CA 3.31Å; Y3707-Q3710 WeakPolarHBondContact O-CB 3.32Å; Y3707-Q3710 PolarHBondContact O-N 2.77Å; Y3707-G3711 PolarHBondContact O-N 3.18Å; Y3707-L3793 HydrophobicContact CE2-CB 4.27Å; Y3707-L3793 HydrophobicContact CE2-CD1 4.38Å; Y3707-L3793 HydrophobicContact CE2-CD2 3.98Å; Y3707-L3793 HydrophobicContact CE2-CG 4.45Å; Y3707-P3794 VanDerWaalsContact CD1-O 3.22Å; Y3707-P3794 WeakPolarHBondContact CD1-O 3.4Å; Y3707-P3794 WeakPolarHBondContact CE1-O 3.34Å; Y3707-P3794 HydrophobicContact CG-CG 4.41Å
3708I78.5Confident84Confident66 Ų6639.9 Ų39.934%0.33820%0.195SC..THydrogen-bonded Turntrans-64134.1176.2-67.1163.2000109.8R3705 W3712 F3715R3705-I3708 HydrophobicContact CB-CD1 4.22Å; R3705-I3708 VanDerWaalsContact O-CD1 3.26Å; R3705-I3708 WeakPolarHBondContact O-CD1 3.47Å; R3705-I3708 VanDerWaalsContact O-CG1 3.26Å; R3705-I3708 WeakPolarHBondContact O-CG1 3.48Å; R3705-I3708 PolarHBondContact O-N 3.18Å; I3708-W3712 HydrophobicContact CG1-CB 4.42Å; I3708-W3712 WeakPolarHBondContact CG1-O 3.44Å; I3708-F3715 HydrophobicContact CD1-CB 3.79Å; I3708-F3715 HydrophobicContact CD1-CD2 3.96Å; I3708-F3715 HydrophobicContact CD1-CG 4.36Å
3709P78.1Confident83.7Confident61 Ų6140.4 Ų40.440%0.39620%0.198SC..THydrogen-bonded Turncis-93.5-0.18.537.7-36.5000115.3W3712 E4023 R4025P3709-W3712 CarbonylContact C-O 3.54Å; P3709-W3712 VanDerWaalsContact C-O 3.27Å; P3709-W3712 VanDerWaalsContact CA-O 3.22Å; P3709-W3712 WeakPolarHBondContact CA-O 3.15Å; P3709-W3712 CarbonylContact O-C 3.57Å; P3709-E4023 WeakPolarHBondContact CG-O 3.47Å; P3709-R4025 HydrophobicContact CB-CB 4.31Å; P3709-R4025 HydrophobicContact CB-CG 4.3Å; P3709-R4025 VanDerWaalsContact O-CD 3.24Å; P3709-R4025 WeakPolarHBondContact O-CD 3.2Å; P3709-R4025 PolarHBondContact O-NH1 2.86Å
3710Q78.4Confident83.5Confident84 Ų8442.1 Ų42.139%0.39321%0.205SC..THydrogen-bonded Turntrans-75.6-37.7-175.7-111.9-116.84.600113.5Y3707 P3794 R4025 K4047Y3707-Q3710 CarbonylContact O-C 3.54Å; Y3707-Q3710 WeakPolarHBondContact O-CA 3.31Å; Y3707-Q3710 WeakPolarHBondContact O-CB 3.32Å; Y3707-Q3710 PolarHBondContact O-N 2.77Å; Q3710-P3794 HydrophobicContact CB-CB 4.42Å; Q3710-R4025 PolarHBondContact O-NH1 3.31Å; Q3710-K4047 WeakPolarHBondContact O-CB 3.19Å; Q3710-K4047 VanDerWaalsContact O-CG 3.31Å; Q3710-K4047 WeakPolarHBondContact O-CG 3.25Å
3711G80.9Confident83.3Confident3.5 Ų3.543.2 Ų43.24%0.03621%0.214CC..SBendtrans-75.2-48.1179.300000112.6R3704 Y3707R3704-G3711 VanDerWaalsContact CZ-O 3.24Å; R3704-G3711 PolarHBondContact NE-O 3.1Å; R3704-G3711 PolarHBondContact NH2-O 3.22Å; R3704-G3711 WeakPolarHBondContact O-CA 3.39Å; Y3707-G3711 PolarHBondContact O-N 3.18Å
3712W86.1Confident83.2Confident0 Ų043.8 Ų43.80%022%0.218CC..  trans-138.9146.2169.1-66.4127000108C3701 R3704 I3708 P3709 K3714 Y3716 F3718 I3758 D3763 V3766 L3767 L3770C3701-W3712 HydrophobicContact CB-CZ2 4.24Å; C3701-W3712 PolarHBondContact O-NE1 3.36Å; R3704-W3712 HydrophobicContact CB-CD2 4.21Å; R3704-W3712 HydrophobicContact CB-CG 4.19Å; R3704-W3712 HydrophobicContact CB-CZ2 4.35Å; I3708-W3712 HydrophobicContact CG1-CB 4.42Å; I3708-W3712 WeakPolarHBondContact CG1-O 3.44Å; P3709-W3712 CarbonylContact C-O 3.54Å; P3709-W3712 VanDerWaalsContact C-O 3.27Å; P3709-W3712 VanDerWaalsContact CA-O 3.22Å; P3709-W3712 WeakPolarHBondContact CA-O 3.15Å; P3709-W3712 CarbonylContact O-C 3.57Å; W3712-K3714 VanDerWaalsContact C-N 3.27Å; W3712-K3714 VanDerWaalsContact CB-O 3.29Å; W3712-K3714 WeakPolarHBondContact CB-O 3.2Å; W3712-K3714 PolarHBondContact O-N 3.21Å; W3712-Y3716 HydrophobicContact CB-CD2 4.07Å; W3712-Y3716 HydrophobicContact CB-CE2 4.01Å; W3712-Y3716 HydrophobicContact CD2-CD2 4.13Å; W3712-Y3716 HydrophobicContact CD2-CE2 4.31Å; W3712-Y3716 HydrophobicContact CE3-CD2 4.2Å; W3712-Y3716 AromaticContact CE3-CE2 3.98Å; W3712-Y3716 HydrophobicContact CE3-CE2 4.22Å; W3712-Y3716 AromaticContact CG-CD2 4Å; W3712-Y3716 HydrophobicContact CG-CD2 4.01Å; W3712-Y3716 HydrophobicContact CG-CE2 4.27Å; W3712-F3718 HydrophobicContact CZ2-CE2 4.16Å; W3712-F3718 HydrophobicContact CZ2-CZ 4.29Å; W3712-F3718 AromaticContact NE1-CE2 3.83Å; W3712-I3758 HydrophobicContact CH2-CD1 4.15Å; W3712-I3758 HydrophobicContact CZ3-CD1 4.15Å; W3712-D3763 HydrophobicContact CE3-CB 3.76Å; W3712-D3763 HydrophobicContact CZ3-CB 3.92Å; W3712-D3763 WeakPolarHBondContact CZ3-O 3.48Å; W3712-V3766 HydrophobicContact CH2-CB 4.43Å; W3712-V3766 HydrophobicContact CH2-CG1 4.12Å; W3712-V3766 HydrophobicContact CZ3-CB 4.08Å; W3712-V3766 HydrophobicContact CZ3-CG1 3.94Å; W3712-L3767 HydrophobicContact CH2-CB 4.41Å; W3712-L3770 HydrophobicContact CH2-CD1 4.49Å
3713C81.7Confident83.2Confident35 Ų3542.8 Ų42.824%0.23621%0.213CC..SBendtrans-69.1-25.8178.5-62.10000112.6D3760 D3763 Y4020 K4047C3713-D3760 HydrophobicContact CB-CB 4.47Å; C3713-D3763 VanDerWaalsContact CB-OD2 3.27Å; C3713-D3763 WeakPolarHBondContact CB-OD2 3.41Å; C3713-D3763 PolarHBondContact N-OD1 3.28Å; C3713-D3763 VanDerWaalsContact N-OD1 3.16Å; C3713-D3763 PolarHBondContact N-OD2 3.17Å; C3713-Y4020 PolarHBondContact SG-OH 3.49Å; C3713-Y4020 VanDerWaalsContact SG-OH 3.38Å; C3713-K4047 PolarHBondContact SG-NZ 2.76Å
3714K82.3Confident83.2Confident103 Ų10344.2 Ų44.245%0.44822%0.219SC..SBendtrans-135.5169.2176.8-59.3-176.6-173.8-179.80111.2W3712 Y3716 E3759W3712-K3714 VanDerWaalsContact C-N 3.27Å; W3712-K3714 VanDerWaalsContact CB-O 3.29Å; W3712-K3714 WeakPolarHBondContact CB-O 3.2Å; W3712-K3714 PolarHBondContact O-N 3.21Å; K3714-Y3716 HydrophobicContact CB-CD1 4.37Å; K3714-Y3716 HydrophobicContact CB-CE1 4Å; K3714-Y3716 HydrophobicContact CD-CE1 4.46Å; K3714-Y3716 PolarHBondContact O-N 2.98Å; K3714-E3759 WeakPolarHBondContact CD-OE2 3.36Å; K3714-E3759 IonicContact NZ-OE2 2.89Å; K3714-E3759 PolarHBondContact NZ-OE2 2.87Å
3715F82.4Confident83.3Confident94.5 Ų94.545.7 Ų45.741%0.41423%0.232SC..  trans-80.5109.8170.4-172.5-86.6000109.9F3557 R3705 I3708 E3717F3557-F3715 HydrophobicContact CD1-CD1 4.1Å; F3557-F3715 AromaticContact CD1-CE1 3.68Å; F3557-F3715 HydrophobicContact CD1-CE1 4.09Å; F3557-F3715 HydrophobicContact CD1-CZ 4.39Å; F3557-F3715 HydrophobicContact CE1-CD1 4.11Å; F3557-F3715 HydrophobicContact CE1-CE1 4.06Å; F3557-F3715 WeakPolarHBondContact O-CZ 2.96Å; R3705-F3715 HydrophobicContact CB-CD2 4.24Å; R3705-F3715 HydrophobicContact CB-CE2 4.21Å; R3705-F3715 HydrophobicContact CG-CD2 4.42Å; R3705-F3715 HydrophobicContact CG-CE2 4.43Å; I3708-F3715 HydrophobicContact CD1-CB 3.79Å; I3708-F3715 HydrophobicContact CD1-CD2 3.96Å; I3708-F3715 HydrophobicContact CD1-CG 4.36Å; F3715-E3717 HydrophobicContact CE1-CG 4.25Å
3716Y86.3Confident83.5Confident9 Ų944.6 Ų44.64%0.03523%0.228CC..  trans-102.4134.1177.2-56.3-61.3000112.2R3705 W3712 K3714 F3718 R3757 I3758 D3760 D3763R3705-Y3716 PolarHBondContact NE-O 3.37Å; R3705-Y3716 PolarHBondContact NH2-O 3.44Å; W3712-Y3716 HydrophobicContact CB-CD2 4.07Å; W3712-Y3716 HydrophobicContact CB-CE2 4.01Å; W3712-Y3716 HydrophobicContact CD2-CD2 4.13Å; W3712-Y3716 HydrophobicContact CD2-CE2 4.31Å; W3712-Y3716 HydrophobicContact CE3-CD2 4.2Å; W3712-Y3716 AromaticContact CE3-CE2 3.98Å; W3712-Y3716 HydrophobicContact CE3-CE2 4.22Å; W3712-Y3716 AromaticContact CG-CD2 4Å; W3712-Y3716 HydrophobicContact CG-CD2 4.01Å; W3712-Y3716 HydrophobicContact CG-CE2 4.27Å; K3714-Y3716 HydrophobicContact CB-CD1 4.37Å; K3714-Y3716 HydrophobicContact CB-CE1 4Å; K3714-Y3716 HydrophobicContact CD-CE1 4.46Å; K3714-Y3716 PolarHBondContact O-N 2.98Å; Y3716-F3718 HydrophobicContact CD2-CZ 4.34Å; Y3716-F3718 HydrophobicContact CG-CZ 4.36Å; Y3716-F3718 PolarHBondContact O-N 2.85Å; Y3716-R3757 WeakPolarHBondContact CD1-O 3.39Å; Y3716-R3757 WeakPolarHBondContact CE1-O 3.36Å; Y3716-I3758 HydrophobicContact CD1-CG1 4.45Å; Y3716-I3758 HydrophobicContact CD2-CG1 4.11Å; Y3716-I3758 HydrophobicContact CE1-CB 4.45Å; Y3716-I3758 HydrophobicContact CE1-CG2 4.48Å; Y3716-I3758 HydrophobicContact CE2-CB 4.48Å; Y3716-I3758 HydrophobicContact CE2-CG1 4.23Å; Y3716-I3758 HydrophobicContact CE2-CG2 4.18Å; Y3716-I3758 HydrophobicContact CG-CG1 4.29Å; Y3716-D3760 WeakPolarHBondContact OH-CB 3.38Å; Y3716-D3763 HydrophobicContact CE2-CB 3.97Å; Y3716-D3763 WeakPolarHBondContact CE2-OD2 3.33Å; Y3716-D3763 VanDerWaalsContact CZ-OD2 3.27Å; Y3716-D3763 PolarHBondContact OH-OD2 3.02Å
3717E83.4Confident83.9Confident62.5 Ų62.540.9 Ų40.929%0.29221%0.205SC..  trans-82.7100.1179.8-60.9176.4-152.100111.6F3557 F3715 R3757F3557-E3717 HydrophobicContact CD1-CG 4.3Å; F3557-E3717 HydrophobicContact CE1-CG 4.14Å; F3557-E3717 WeakPolarHBondContact CE1-OE1 3.32Å; F3557-E3717 VanDerWaalsContact CZ-OE1 3.24Å; F3557-E3717 WeakPolarHBondContact CZ-OE1 3.34Å; F3715-E3717 HydrophobicContact CE1-CG 4.25Å; E3717-R3757 WeakPolarHBondContact O-CD 3.18Å; E3717-R3757 VanDerWaalsContact O-CG 3.28Å; E3717-R3757 WeakPolarHBondContact O-CG 3.32Å; E3717-R3757 PolarHBondContact O-NE 3.02Å
3718F87.4Confident84.1Confident0.5 Ų0.539.7 Ų39.70%0.00221%0.205CC..  trans-107.9106.3166.2-38.6-66.8000108.2C3701 Q3702 R3705 W3712 Y3716 D3722 Y3754 R3757 I3758C3701-F3718 HydrophobicContact CB-CD2 3.64Å; C3701-F3718 HydrophobicContact CB-CE2 3.76Å; C3701-F3718 HydrophobicContact CB-CG 4.34Å; C3701-F3718 HydrophobicContact CB-CZ 4.49Å; Q3702-F3718 PolarHBondContact NE2-O 2.93Å; Q3702-F3718 VanDerWaalsContact NE2-O 3.15Å; R3705-F3718 VanDerWaalsContact NH2-C 3.35Å; R3705-F3718 VanDerWaalsContact NH2-CA 3.28Å; R3705-F3718 VanDerWaalsContact NH2-CB 3.26Å; R3705-F3718 VanDerWaalsContact NH2-CG 3.34Å; R3705-F3718 PolarHBondContact NH2-O 2.89Å; W3712-F3718 HydrophobicContact CZ2-CE2 4.16Å; W3712-F3718 HydrophobicContact CZ2-CZ 4.29Å; W3712-F3718 AromaticContact NE1-CE2 3.83Å; Y3716-F3718 HydrophobicContact CD2-CZ 4.34Å; Y3716-F3718 HydrophobicContact CG-CZ 4.36Å; Y3716-F3718 PolarHBondContact O-N 2.85Å; F3718-D3722 WeakPolarHBondContact CA-OD2 3.08Å; F3718-Y3754 HydrophobicContact CB-CD1 4.38Å; F3718-Y3754 HydrophobicContact CB-CE1 4.1Å; F3718-Y3754 AromaticContact CD1-CD1 3.53Å; F3718-Y3754 HydrophobicContact CD1-CD1 3.53Å; F3718-Y3754 VanDerWaalsContact CD1-CD1 3.4Å; F3718-Y3754 AromaticContact CD1-CE1 3.93Å; F3718-Y3754 HydrophobicContact CD1-CE1 4.11Å; F3718-Y3754 HydrophobicContact CD1-CG 4.46Å; F3718-Y3754 AromaticContact CE1-CD1 3.72Å; F3718-Y3754 HydrophobicContact CE1-CD1 3.89Å; F3718-Y3754 AromaticContact CG-CD1 3.95Å; F3718-Y3754 HydrophobicContact CG-CD1 4.01Å; F3718-Y3754 HydrophobicContact CG-CE1 4.17Å; F3718-R3757 HydrophobicContact CD1-CB 4.32Å; F3718-R3757 HydrophobicContact CD1-CG 4.23Å; F3718-R3757 HydrophobicContact CE1-CB 3.99Å; F3718-R3757 HydrophobicContact CE1-CG 4.36Å; F3718-I3758 HydrophobicContact CE1-CD1 4.44Å; F3718-I3758 HydrophobicContact CE1-CG1 4.29Å; F3718-I3758 HydrophobicContact CZ-CD1 4.18Å; F3718-I3758 HydrophobicContact CZ-CG1 4.18Å
3719T84.7Confident84.5Confident12.5 Ų12.538.5 Ų38.58%0.07720%0.199CC..  trans-97.5168.3-171.7640000111.5G3558 H3698 S3721 D3722 F3723G3558-T3719 WeakPolarHBondContact O-CG2 3.46Å; H3698-T3719 PolarHBondContact CE1-O 2.91Å; T3719-S3721 WeakPolarHBondContact CB-OG 3.5Å; T3719-S3721 PolarHBondContact O-N 2.99Å; T3719-S3721 PolarHBondContact OG1-N 3.44Å; T3719-S3721 PolarHBondContact OG1-OG 3.04Å; T3719-D3722 WeakPolarHBondContact CB-OD2 3.19Å; T3719-D3722 PolarHBondContact N-OD2 3Å; T3719-D3722 WeakPolarHBondContact O-CB 3.32Å; T3719-D3722 PolarHBondContact O-N 3.22Å; T3719-D3722 VanDerWaalsContact O-N 3.11Å; T3719-D3722 PolarHBondContact OG1-N 3.17Å; T3719-D3722 PolarHBondContact OG1-OD1 3.39Å; T3719-D3722 PolarHBondContact OG1-OD2 3.03Å; T3719-F3723 PolarHBondContact O-N 2.86Å
3720Y82.9Confident84.7Confident36 Ų3635.7 Ų35.714%0.14118%0.181CC..Hα-helixtrans-59.6-32.1171.6-173.1-103.5000112.3S3674 D3722 F3723 K3724S3674-Y3720 WeakPolarHBondContact CB-OH 3.45Å; S3674-Y3720 WeakPolarHBondContact OG-CE2 3.43Å; S3674-Y3720 PolarHBondContact OG-OH 3.28Å; S3674-Y3720 VanDerWaalsContact OG-OH 3.08Å; Y3720-D3722 VanDerWaalsContact C-N 3.3Å; Y3720-D3722 PolarHBondContact O-N 2.76Å; Y3720-F3723 HydrophobicContact CD2-CD1 4.11Å; Y3720-F3723 AromaticContact CE2-CD1 3.72Å; Y3720-F3723 HydrophobicContact CE2-CD1 3.72Å; Y3720-F3723 AromaticContact CE2-CE1 4Å; Y3720-F3723 HydrophobicContact CE2-CE1 4.14Å; Y3720-F3723 WeakPolarHBondContact O-CB 3.45Å; Y3720-F3723 PolarHBondContact O-N 3.23Å; Y3720-K3724 HydrophobicContact CD1-CB 4.46Å; Y3720-K3724 HydrophobicContact CE1-CB 4.25Å; Y3720-K3724 HydrophobicContact CE1-CD 4.43Å; Y3720-K3724 WeakPolarHBondContact O-CB 3.22Å; Y3720-K3724 PolarHBondContact O-N 3.05Å
3721S84.2Confident84.9Confident42 Ų4233.3 Ų33.329%0.29417%0.17SC..Hα-helixtrans-64.5-32.9175.555.90000113T3719 K3724 T3725T3719-S3721 WeakPolarHBondContact CB-OG 3.5Å; T3719-S3721 PolarHBondContact O-N 2.99Å; T3719-S3721 PolarHBondContact OG1-N 3.44Å; T3719-S3721 PolarHBondContact OG1-OG 3.04Å; S3721-K3724 PolarHBondContact O-N 2.91Å; S3721-T3725 VanDerWaalsContact O-CB 3.25Å; S3721-T3725 WeakPolarHBondContact O-CB 3.35Å; S3721-T3725 PolarHBondContact O-N 2.87Å; S3721-T3725 PolarHBondContact O-OG1 3.06Å
3722D88.5Confident85Confident13 Ų1337.5 Ų37.57%0.0720%0.196CC..Hα-helixtrans-68.9-39175.7-55.5-54.7000110.8F3718 T3719 Y3720 G3726 I3753 R3757F3718-D3722 WeakPolarHBondContact CA-OD2 3.08Å; T3719-D3722 WeakPolarHBondContact CB-OD2 3.19Å; T3719-D3722 PolarHBondContact N-OD2 3Å; T3719-D3722 WeakPolarHBondContact O-CB 3.32Å; T3719-D3722 PolarHBondContact O-N 3.22Å; T3719-D3722 VanDerWaalsContact O-N 3.11Å; T3719-D3722 PolarHBondContact OG1-N 3.17Å; T3719-D3722 PolarHBondContact OG1-OD1 3.39Å; T3719-D3722 PolarHBondContact OG1-OD2 3.03Å; Y3720-D3722 VanDerWaalsContact C-N 3.3Å; Y3720-D3722 PolarHBondContact O-N 2.76Å; D3722-G3726 PolarHBondContact O-N 3.16Å; D3722-G3726 VanDerWaalsContact O-N 3.15Å; D3722-I3753 HydrophobicContact CB-CG2 3.83Å; D3722-I3753 VanDerWaalsContact O-CG2 3.32Å; D3722-I3753 WeakPolarHBondContact O-CG2 3.41Å; D3722-R3757 VanDerWaalsContact CG-NH2 3.33Å; D3722-R3757 IonicContact OD1-CZ 2.69Å; D3722-R3757 IonicContact OD1-NE 2.86Å; D3722-R3757 PolarHBondContact OD1-NE 3Å; D3722-R3757 IonicContact OD1-NH2 2.71Å; D3722-R3757 PolarHBondContact OD1-NH2 3.15Å; D3722-R3757 IonicContact OD2-CZ 2.93Å; D3722-R3757 IonicContact OD2-NE 2.62Å; D3722-R3757 IonicContact OD2-NH2 3.64Å; D3722-R3757 PolarHBondContact OD2-NH2 2.92Å; D3722-R3757 VanDerWaalsContact OD2-NH2 3.1Å
3723F88.2Confident84.7Confident0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-63.6-50.5171.9170.9-105.4000111.8T3671 L3694 H3698 T3719 Y3720 G3726 L3727T3671-F3723 HydrophobicContact CG2-CD1 3.96Å; T3671-F3723 HydrophobicContact CG2-CD2 3.79Å; T3671-F3723 HydrophobicContact CG2-CE1 3.66Å; T3671-F3723 HydrophobicContact CG2-CE2 3.5Å; T3671-F3723 VanDerWaalsContact CG2-CE2 3.48Å; T3671-F3723 HydrophobicContact CG2-CG 4.02Å; T3671-F3723 HydrophobicContact CG2-CZ 3.41Å; T3671-F3723 VanDerWaalsContact CG2-CZ 3.48Å; L3694-F3723 HydrophobicContact CB-CE2 4.38Å; L3694-F3723 HydrophobicContact CD2-CD2 4.11Å; L3694-F3723 HydrophobicContact CD2-CE2 4.13Å; L3694-F3723 HydrophobicContact CG-CD2 3.86Å; L3694-F3723 HydrophobicContact CG-CE2 3.93Å; H3698-F3723 HydrophobicContact CB-CD2 4.12Å; T3719-F3723 PolarHBondContact O-N 2.86Å; Y3720-F3723 HydrophobicContact CD2-CD1 4.11Å; Y3720-F3723 AromaticContact CE2-CD1 3.72Å; Y3720-F3723 HydrophobicContact CE2-CD1 3.72Å; Y3720-F3723 AromaticContact CE2-CE1 4Å; Y3720-F3723 HydrophobicContact CE2-CE1 4.14Å; Y3720-F3723 WeakPolarHBondContact O-CB 3.45Å; Y3720-F3723 PolarHBondContact O-N 3.23Å; F3723-G3726 PolarHBondContact O-N 3.14Å; F3723-L3727 HydrophobicContact CE1-CD2 4.4Å; F3723-L3727 HydrophobicContact CZ-CD2 4.45Å; F3723-L3727 WeakPolarHBondContact O-CB 3.42Å; F3723-L3727 PolarHBondContact O-N 3.24Å
3724K85.6Confident84.5Confident53 Ų5340.9 Ų40.923%0.2320%0.204CC..Hα-helixtrans-61.1-47-179-175.8126.5-171.8-169.70111.8V3563 E3567 Y3720 S3721 G3726 L3727 D3728V3563-K3724 HydrophobicContact CG1-CD 4.45Å; E3567-K3724 VanDerWaalsContact OE1-CE 3.28Å; E3567-K3724 WeakPolarHBondContact OE1-CE 3.46Å; E3567-K3724 IonicContact OE1-NZ 3.49Å; E3567-K3724 PolarHBondContact OE1-NZ 3.32Å; E3567-K3724 IonicContact OE2-NZ 2.73Å; Y3720-K3724 HydrophobicContact CD1-CB 4.46Å; Y3720-K3724 HydrophobicContact CE1-CB 4.25Å; Y3720-K3724 HydrophobicContact CE1-CD 4.43Å; Y3720-K3724 WeakPolarHBondContact O-CB 3.22Å; Y3720-K3724 PolarHBondContact O-N 3.05Å; S3721-K3724 PolarHBondContact O-N 2.91Å; K3724-G3726 VanDerWaalsContact C-N 3.3Å; K3724-G3726 PolarHBondContact O-N 3.11Å; K3724-L3727 WeakPolarHBondContact O-CB 3.36Å; K3724-L3727 PolarHBondContact O-N 3.03Å; K3724-D3728 WeakPolarHBondContact CE-OD1 2.98Å; K3724-D3728 WeakPolarHBondContact CE-OD2 3.28Å; K3724-D3728 IonicContact NZ-OD1 2.73Å; K3724-D3728 PolarHBondContact O-N 3.24Å
3725T87.7Confident83.9Confident67.5 Ų67.539.2 Ų39.241%0.41420%0.202SC..Hα-helixtrans-59.6-42.8176-55.50000111.1S3721 L3727 D3728 I3729 I3753S3721-T3725 VanDerWaalsContact O-CB 3.25Å; S3721-T3725 WeakPolarHBondContact O-CB 3.35Å; S3721-T3725 PolarHBondContact O-N 2.87Å; S3721-T3725 PolarHBondContact O-OG1 3.06Å; T3725-L3727 VanDerWaalsContact C-N 3.32Å; T3725-L3727 PolarHBondContact O-N 3.34Å; T3725-D3728 PolarHBondContact O-N 3.41Å; T3725-I3729 HydrophobicContact CG2-CD1 4Å; T3725-I3729 WeakPolarHBondContact O-CB 3.22Å; T3725-I3729 WeakPolarHBondContact O-CD1 3.48Å; T3725-I3729 VanDerWaalsContact O-CG1 3.28Å; T3725-I3729 WeakPolarHBondContact O-CG1 3.39Å; T3725-I3729 PolarHBondContact O-N 3.19Å; T3725-I3729 VanDerWaalsContact O-N 3.08Å; T3725-I3753 HydrophobicContact CG2-CD1 4.29Å
3726G88.2Confident83.1Confident1 Ų139.9 Ų39.91%0.0121%0.21CC..Hα-helixtrans-63.2-37.1174.300000113.3D3722 F3723 K3724 A3730 I3753D3722-G3726 PolarHBondContact O-N 3.16Å; D3722-G3726 VanDerWaalsContact O-N 3.15Å; F3723-G3726 PolarHBondContact O-N 3.14Å; K3724-G3726 VanDerWaalsContact C-N 3.3Å; K3724-G3726 PolarHBondContact O-N 3.11Å; G3726-A3730 VanDerWaalsContact O-CB 3.24Å; G3726-A3730 WeakPolarHBondContact O-CB 3.4Å; G3726-A3730 PolarHBondContact O-N 3.17Å; G3726-I3753 VanDerWaalsContact CA-CD1 3.48Å
3727L86.6Confident82Confident15.5 Ų15.545.5 Ų45.58%0.08124%0.235CC..Hα-helixtrans-69.6-44.7178.7-179.868.4000111.5Q3675 A3691 L3694 F3723 K3724 T3725 I3729 A3730 N3731Q3675-L3727 HydrophobicContact CG-CD2 4.17Å; Q3675-L3727 VanDerWaalsContact NE2-CD1 3.3Å; Q3675-L3727 VanDerWaalsContact NE2-CD2 3.25Å; A3691-L3727 HydrophobicContact CB-CD1 3.67Å; L3694-L3727 HydrophobicContact CD2-CB 4.03Å; L3694-L3727 VanDerWaalsContact CD2-N 3.28Å; F3723-L3727 HydrophobicContact CE1-CD2 4.4Å; F3723-L3727 HydrophobicContact CZ-CD2 4.45Å; F3723-L3727 WeakPolarHBondContact O-CB 3.42Å; F3723-L3727 PolarHBondContact O-N 3.24Å; K3724-L3727 WeakPolarHBondContact O-CB 3.36Å; K3724-L3727 PolarHBondContact O-N 3.03Å; T3725-L3727 VanDerWaalsContact C-N 3.32Å; T3725-L3727 PolarHBondContact O-N 3.34Å; L3727-I3729 VanDerWaalsContact C-N 3.33Å; L3727-I3729 PolarHBondContact O-N 3.47Å; L3727-A3730 PolarHBondContact O-N 3.02Å; L3727-N3731 VanDerWaalsContact O-CB 3.3Å; L3727-N3731 WeakPolarHBondContact O-CB 3.34Å; L3727-N3731 VanDerWaalsContact O-CG 3.26Å; L3727-N3731 PolarHBondContact O-N 3.01Å; L3727-N3731 PolarHBondContact O-ND2 3.22Å
3728D85.1Confident81.2Confident74 Ų7445.6 Ų45.640%0.39624%0.24SC..Hα-helixtrans-66.4-39.1179.7-68.3-23.3000111.1K3724 T3725 N3731 T3732K3724-D3728 WeakPolarHBondContact CE-OD1 2.98Å; K3724-D3728 WeakPolarHBondContact CE-OD2 3.28Å; K3724-D3728 IonicContact NZ-OD1 2.73Å; K3724-D3728 PolarHBondContact O-N 3.24Å; T3725-D3728 PolarHBondContact O-N 3.41Å; D3728-N3731 PolarHBondContact O-N 2.71Å; D3728-T3732 VanDerWaalsContact O-CB 3.28Å; D3728-T3732 WeakPolarHBondContact O-CB 3.28Å; D3728-T3732 PolarHBondContact O-N 2.91Å; D3728-T3732 PolarHBondContact O-OG1 3.09Å
3729I86.3Confident80.1Confident41 Ų4152 Ų5221%0.2127%0.269CS..Hα-helixtrans-65.7-46.9172.5-69.1171.5000110.6T3725 L3727 N3731 T3732 W3733 F3744 V3748 I3753T3725-I3729 HydrophobicContact CG2-CD1 4Å; T3725-I3729 WeakPolarHBondContact O-CB 3.22Å; T3725-I3729 WeakPolarHBondContact O-CD1 3.48Å; T3725-I3729 VanDerWaalsContact O-CG1 3.28Å; T3725-I3729 WeakPolarHBondContact O-CG1 3.39Å; T3725-I3729 PolarHBondContact O-N 3.19Å; T3725-I3729 VanDerWaalsContact O-N 3.08Å; L3727-I3729 VanDerWaalsContact C-N 3.33Å; L3727-I3729 PolarHBondContact O-N 3.47Å; I3729-N3731 VanDerWaalsContact C-N 3.29Å; I3729-N3731 PolarHBondContact O-N 3.34Å; I3729-T3732 PolarHBondContact O-N 2.87Å; I3729-W3733 WeakPolarHBondContact O-CB 3.5Å; I3729-W3733 VanDerWaalsContact O-CD1 3.27Å; I3729-W3733 PolarHBondContact O-N 3.12Å; I3729-F3744 HydrophobicContact CG2-CE1 4.32Å; I3729-V3748 HydrophobicContact CD1-CG1 3.92Å; I3729-V3748 HydrophobicContact CG2-CG1 4.33Å; I3729-I3753 HydrophobicContact CD1-CD1 4.11Å
3730A82.8Confident79.5Confident2 Ų257.1 Ų57.12%0.01729%0.293CS..Hα-helixtrans-59.2-41.5175.800000111.6A3690 G3726 L3727 L3734 V3745A3690-A3730 HydrophobicContact CB-CB 4.16Å; G3726-A3730 VanDerWaalsContact O-CB 3.24Å; G3726-A3730 WeakPolarHBondContact O-CB 3.4Å; G3726-A3730 PolarHBondContact O-N 3.17Å; L3727-A3730 PolarHBondContact O-N 3.02Å; A3730-L3734 HydrophobicContact CB-CD1 4.05Å; A3730-L3734 VanDerWaalsContact O-CB 3.22Å; A3730-L3734 WeakPolarHBondContact O-CB 3.38Å; A3730-L3734 WeakPolarHBondContact O-CD1 3.21Å; A3730-L3734 VanDerWaalsContact O-CG 3.23Å; A3730-L3734 WeakPolarHBondContact O-CG 3.28Å; A3730-L3734 PolarHBondContact O-N 3.16Å; A3730-L3734 VanDerWaalsContact O-N 3.11Å; A3730-V3745 HydrophobicContact CB-CG1 4.25Å
3731N82.2Confident79.1Confident33 Ų3355.5 Ų55.518%0.17629%0.287CS..Hα-helixtrans-67.5-39.7178.7-79.4-27.8000112.8L3683 N3687 L3727 D3728 I3729 T3735L3683-N3731 HydrophobicContact CD2-CB 4.46Å; N3687-N3731 WeakPolarHBondContact CB-OD1 3.5Å; N3687-N3731 WeakPolarHBondContact ND2-CA 3.27Å; N3687-N3731 PolarHBondContact ND2-O 3.18Å; N3687-N3731 VanDerWaalsContact ND2-O 3.12Å; N3687-N3731 PolarHBondContact ND2-OD1 2.63Å; L3727-N3731 VanDerWaalsContact O-CB 3.3Å; L3727-N3731 WeakPolarHBondContact O-CB 3.34Å; L3727-N3731 VanDerWaalsContact O-CG 3.26Å; L3727-N3731 PolarHBondContact O-N 3.01Å; L3727-N3731 PolarHBondContact O-ND2 3.22Å; D3728-N3731 PolarHBondContact O-N 2.71Å; I3729-N3731 VanDerWaalsContact C-N 3.29Å; I3729-N3731 PolarHBondContact O-N 3.34Å; N3731-T3735 VanDerWaalsContact O-CG2 3.31Å; N3731-T3735 WeakPolarHBondContact O-CG2 3.26Å
3732T82.4Confident78.8Confident93.5 Ų93.555 Ų5557%0.57428%0.279SS*.Hα-helixtrans-73.5-36-178.2-56.70000112.4D3728 I3729 T3735D3728-T3732 VanDerWaalsContact O-CB 3.28Å; D3728-T3732 WeakPolarHBondContact O-CB 3.28Å; D3728-T3732 PolarHBondContact O-N 2.91Å; D3728-T3732 PolarHBondContact O-OG1 3.09Å; I3729-T3732 PolarHBondContact O-N 2.87Å; T3732-T3735 PolarHBondContact O-OG1 3.43Å
3733W80.6Confident78.4Confident104 Ų10459.1 Ų59.139%0.39430%0.297SS..Hα-helixtrans-97.3-31.1-172.6-72.286.6000114I3729 T3735 N3736 S3741 F3744 V3745 H3799I3729-W3733 WeakPolarHBondContact O-CB 3.5Å; I3729-W3733 VanDerWaalsContact O-CD1 3.27Å; I3729-W3733 PolarHBondContact O-N 3.12Å; W3733-T3735 PolarHBondContact O-N 3.32Å; W3733-T3735 VanDerWaalsContact O-N 3.13Å; W3733-N3736 PolarHBondContact O-N 3.32Å; W3733-S3741 PolarHBondContact O-OG 3.25Å; W3733-F3744 HydrophobicContact CB-CD1 4.44Å; W3733-F3744 HydrophobicContact CB-CE1 4.49Å; W3733-F3744 AromaticContact CD1-CE1 3.92Å; W3733-F3744 HydrophobicContact CD2-CD1 4.02Å; W3733-F3744 AromaticContact CD2-CE1 3.7Å; W3733-F3744 HydrophobicContact CD2-CE1 3.7Å; W3733-F3744 VanDerWaalsContact CD2-CE1 3.47Å; W3733-F3744 HydrophobicContact CD2-CZ 4.29Å; W3733-F3744 AromaticContact CE2-CE1 3.61Å; W3733-F3744 HydrophobicContact CE3-CD1 4.23Å; W3733-F3744 AromaticContact CE3-CE1 3.91Å; W3733-F3744 HydrophobicContact CE3-CE1 4.17Å; W3733-F3744 HydrophobicContact CG-CD1 4.21Å; W3733-F3744 AromaticContact CG-CE1 3.72Å; W3733-F3744 HydrophobicContact CG-CE1 4.04Å; W3733-F3744 HydrophobicContact CH2-CE1 4.42Å; W3733-F3744 HydrophobicContact CH2-CZ 4.42Å; W3733-F3744 AromaticContact CZ2-CE1 3.88Å; W3733-F3744 HydrophobicContact CZ2-CE1 3.99Å; W3733-F3744 HydrophobicContact CZ2-CZ 4.2Å; W3733-F3744 HydrophobicContact CZ3-CE1 4.38Å; W3733-F3744 AromaticContact NE1-CE1 3.85Å; W3733-V3745 HydrophobicContact CB-CG2 4.09Å; W3733-H3799 CarbonylContact O-C 3.47Å
3734L76Confident78.2Confident2 Ų261.8 Ų61.81%0.0131%0.309CS..THydrogen-bonded Turntrans-781.1-177.3-61.7174.3000114.2A3690 A3730 N3736 K3737 W3742 V3745 L3798 H3799A3690-L3734 HydrophobicContact CB-CD1 3.25Å; A3730-L3734 HydrophobicContact CB-CD1 4.05Å; A3730-L3734 VanDerWaalsContact O-CB 3.22Å; A3730-L3734 WeakPolarHBondContact O-CB 3.38Å; A3730-L3734 WeakPolarHBondContact O-CD1 3.21Å; A3730-L3734 VanDerWaalsContact O-CG 3.23Å; A3730-L3734 WeakPolarHBondContact O-CG 3.28Å; A3730-L3734 PolarHBondContact O-N 3.16Å; A3730-L3734 VanDerWaalsContact O-N 3.11Å; L3734-N3736 PolarHBondContact O-N 3.2Å; L3734-K3737 PolarHBondContact O-N 2.84Å; L3734-W3742 HydrophobicContact CD1-CH2 4.18Å; L3734-W3742 HydrophobicContact CD1-CZ2 4.35Å; L3734-W3742 HydrophobicContact CD1-CZ3 4.02Å; L3734-W3742 HydrophobicContact CD2-CD2 3.94Å; L3734-W3742 HydrophobicContact CD2-CE3 3.74Å; L3734-W3742 HydrophobicContact CD2-CG 4.19Å; L3734-W3742 HydrophobicContact CD2-CH2 4.09Å; L3734-W3742 HydrophobicContact CD2-CZ2 3.89Å; L3734-W3742 HydrophobicContact CD2-CZ3 4Å; L3734-V3745 HydrophobicContact CD1-CG2 4.42Å; L3734-V3745 HydrophobicContact CD2-CG2 4.08Å; L3734-V3745 HydrophobicContact CG-CG2 4.18Å; L3734-L3798 CarbonylContact C-O 3.32Å; L3734-H3799 VanDerWaalsContact CD2-N 3.34Å
3735T70.3Confident78.2Confident67 Ų6759.4 Ų59.441%0.41130%0.299SS..THydrogen-bonded Turntrans-71.4-27.617344.90000113.3N3731 T3732 W3733 K3737N3731-T3735 VanDerWaalsContact O-CG2 3.31Å; N3731-T3735 WeakPolarHBondContact O-CG2 3.26Å; T3732-T3735 PolarHBondContact O-OG1 3.43Å; W3733-T3735 PolarHBondContact O-N 3.32Å; W3733-T3735 VanDerWaalsContact O-N 3.13Å; T3735-K3737 VanDerWaalsContact C-N 3.31Å; T3735-K3737 PolarHBondContact O-N 3.19Å
3736N66.2Low78.1Confident108.5 Ų108.559.5 Ų59.558%0.5829%0.291SS*.SBendtrans-88.8-9.8-166.8-63.7-21.9000115W3733 L3734 T3738 H3799W3733-N3736 PolarHBondContact O-N 3.32Å; L3734-N3736 PolarHBondContact O-N 3.2Å; N3736-T3738 VanDerWaalsContact C-N 3.33Å; N3736-T3738 PolarHBondContact O-N 2.98Å; N3736-H3799 WeakPolarHBondContact CB-O 3.22Å
3737K62.6Low78Confident127.5 Ų127.562.2 Ų62.255%0.55430%0.304SS*.  trans58.534.7168.3-55.8-161.4177.7-168.20119.4L3734 T3735 N3797 L3798L3734-K3737 PolarHBondContact O-N 2.84Å; T3735-K3737 VanDerWaalsContact C-N 3.31Å; T3735-K3737 PolarHBondContact O-N 3.19Å; K3737-N3797 VanDerWaalsContact CD-O 3.22Å; K3737-N3797 WeakPolarHBondContact CD-O 3.26Å; K3737-N3797 WeakPolarHBondContact CE-O 3.39Å; K3737-N3797 WeakPolarHBondContact CG-O 3.26Å; K3737-N3797 PolarHBondContact NZ-O 3.07Å; K3737-N3797 PolarHBondContact NZ-OD1 3.29Å; K3737-L3798 VanDerWaalsContact CA-CB 3.45Å; K3737-L3798 VanDerWaalsContact CA-O 3.32Å; K3737-L3798 WeakPolarHBondContact CA-O 3.13Å; K3737-L3798 HydrophobicContact CB-CB 3.96Å; K3737-L3798 HydrophobicContact CB-CD1 4.33Å; K3737-L3798 HydrophobicContact CG-CB 4.12Å; K3737-L3798 PolarHBondContact N-O 3.14Å
3738T65.9Low78.1Confident64 Ų6462.3 Ų62.339%0.39331%0.305SS..  trans-90-168.1172.769.90000113.8N3736 E3740 S3741 H3799N3736-T3738 VanDerWaalsContact C-N 3.33Å; N3736-T3738 PolarHBondContact O-N 2.98Å; T3738-E3740 WeakPolarHBondContact CB-OE2 3.26Å; T3738-E3740 PolarHBondContact O-N 2.98Å; T3738-E3740 PolarHBondContact OG1-OE2 3.49Å; T3738-S3741 VanDerWaalsContact O-CB 3.3Å; T3738-S3741 WeakPolarHBondContact O-CB 3.22Å; T3738-S3741 PolarHBondContact O-N 3.39Å; T3738-S3741 VanDerWaalsContact O-N 3.09Å; T3738-S3741 PolarHBondContact OG1-N 2.62Å; T3738-S3741 PolarHBondContact OG1-OG 2.87Å; T3738-H3799 VanDerWaalsContact N-CB 3.34Å; T3738-H3799 PolarHBondContact O-CD2 3.07Å; T3738-H3799 WeakPolarHBondContact OG1-CB 3.3Å
3739E66.2Low78.3Confident134 Ų13458.9 Ų58.963%0.62629%0.287SS*.SBendtrans-101.5-16.9173.7-105.1-124.7138.700113.2S3741 W3742 Q3743 K3777 H3799E3739-S3741 PolarHBondContact O-N 2.98Å; E3739-W3742 PolarHBondContact O-N 3.1Å; E3739-W3742 VanDerWaalsContact O-N 3.15Å; E3739-Q3743 PolarHBondContact O-N 3.08Å; E3739-K3777 WeakPolarHBondContact OE1-CE 3.26Å; E3739-K3777 IonicContact OE1-NZ 2.73Å; E3739-K3777 PolarHBondContact OE1-NZ 3.2Å; E3739-K3777 IonicContact OE2-NZ 2.67Å; E3739-K3777 PolarHBondContact OE2-NZ 3.23Å; E3739-H3799 VanDerWaalsContact C-ND1 3.34Å; E3739-H3799 VanDerWaalsContact C-NE2 3.31Å; E3739-H3799 WeakPolarHBondContact CA-CD2 3.23Å; E3739-H3799 VanDerWaalsContact CA-NE2 3.29Å; E3739-H3799 WeakPolarHBondContact CA-NE2 2.98Å; E3739-H3799 PolarHBondContact N-CD2 3.35Å; E3739-H3799 PolarHBondContact O-CE1 3.09Å
3740E71.4Confident78.5Confident121 Ų12158.1 Ų58.157%0.56528%0.282SS*.SBendtrans-83.8-11.6-167-63.1165.7145.200113.9T3738 W3742 Q3743 F3744 H3799 E3800T3738-E3740 WeakPolarHBondContact CB-OE2 3.26Å; T3738-E3740 PolarHBondContact O-N 2.98Å; T3738-E3740 PolarHBondContact OG1-OE2 3.49Å; E3740-W3742 VanDerWaalsContact C-N 3.34Å; E3740-W3742 PolarHBondContact O-N 3.25Å; E3740-Q3743 WeakPolarHBondContact O-CB 3.39Å; E3740-Q3743 PolarHBondContact O-N 3.31Å; E3740-F3744 VanDerWaalsContact O-CB 3.31Å; E3740-F3744 WeakPolarHBondContact O-CB 3.27Å; E3740-F3744 PolarHBondContact O-N 2.86Å; E3740-H3799 PolarHBondContact N-CE1 2.8Å; E3740-H3799 VanDerWaalsContact N-CE1 3.25Å; E3740-H3799 PolarHBondContact N-ND1 3.13Å; E3740-E3800 WeakPolarHBondContact CB-OE1 3.34Å
3741S75Confident78.7Confident3 Ų362.7 Ų62.72%0.02131%0.307CS..  trans-119.2-19.3-157.7-13.80000117.3W3733 T3738 E3739 Q3743 F3744 V3745 H3799 E3800W3733-S3741 PolarHBondContact O-OG 3.25Å; T3738-S3741 VanDerWaalsContact O-CB 3.3Å; T3738-S3741 WeakPolarHBondContact O-CB 3.22Å; T3738-S3741 PolarHBondContact O-N 3.39Å; T3738-S3741 VanDerWaalsContact O-N 3.09Å; T3738-S3741 PolarHBondContact OG1-N 2.62Å; T3738-S3741 PolarHBondContact OG1-OG 2.87Å; E3739-S3741 PolarHBondContact O-N 2.98Å; S3741-Q3743 PolarHBondContact O-N 3.06Å; S3741-F3744 WeakPolarHBondContact O-CB 3.33Å; S3741-F3744 PolarHBondContact O-N 3.11Å; S3741-F3744 VanDerWaalsContact O-N 3.14Å; S3741-V3745 VanDerWaalsContact O-CG2 3.25Å; S3741-V3745 WeakPolarHBondContact O-CG2 3.39Å; S3741-V3745 PolarHBondContact O-N 2.99Å; S3741-V3745 VanDerWaalsContact O-N 3.08Å; S3741-H3799 WeakPolarHBondContact CA-ND1 3.28Å; S3741-H3799 WeakPolarHBondContact CB-ND1 3.28Å; S3741-H3799 PolarHBondContact N-CE1 3.01Å; S3741-H3799 PolarHBondContact N-ND1 3.31Å; S3741-H3799 WeakPolarHBondContact OG-CA 3.42Å; S3741-H3799 WeakPolarHBondContact OG-CB 3.48Å; S3741-H3799 PolarHBondContact OG-ND1 3.34Å; S3741-E3800 VanDerWaalsContact CB-CB 3.41Å; S3741-E3800 WeakPolarHBondContact CB-O 3.43Å; S3741-E3800 WeakPolarHBondContact OG-CA 3.32Å; S3741-E3800 WeakPolarHBondContact OG-CB 3.4Å; S3741-E3800 PolarHBondContact OG-N 2.87Å
3742W76.7Confident79Confident31 Ų3165.5 Ų65.512%0.11733%0.325CS..Hα-helixtrans-62.5-34.4155.1-75.289.6000110.1R3689 A3690 L3734 E3739 E3740 F3744 V3745 R3746 F3775 L3779 L3798 H3799R3689-W3742 HydrophobicContact CB-CH2 4Å; A3690-W3742 HydrophobicContact CB-CH2 3.83Å; A3690-W3742 HydrophobicContact CB-CZ3 4.01Å; L3734-W3742 HydrophobicContact CD1-CH2 4.18Å; L3734-W3742 HydrophobicContact CD1-CZ2 4.35Å; L3734-W3742 HydrophobicContact CD1-CZ3 4.02Å; L3734-W3742 HydrophobicContact CD2-CD2 3.94Å; L3734-W3742 HydrophobicContact CD2-CE3 3.74Å; L3734-W3742 HydrophobicContact CD2-CG 4.19Å; L3734-W3742 HydrophobicContact CD2-CH2 4.09Å; L3734-W3742 HydrophobicContact CD2-CZ2 3.89Å; L3734-W3742 HydrophobicContact CD2-CZ3 4Å; E3739-W3742 PolarHBondContact O-N 3.1Å; E3739-W3742 VanDerWaalsContact O-N 3.15Å; E3740-W3742 VanDerWaalsContact C-N 3.34Å; E3740-W3742 PolarHBondContact O-N 3.25Å; W3742-F3744 VanDerWaalsContact C-N 3.32Å; W3742-V3745 PolarHBondContact O-N 3.39Å; W3742-R3746 WeakPolarHBondContact O-CB 3.22Å; W3742-R3746 PolarHBondContact O-N 3.09Å; W3742-F3775 HydrophobicContact CE3-CB 4.23Å; W3742-F3775 AromaticContact CE3-CD1 3.65Å; W3742-F3775 HydrophobicContact CE3-CD1 3.97Å; W3742-F3775 HydrophobicContact CE3-CE1 4.47Å; W3742-F3775 HydrophobicContact CE3-CG 4.34Å; W3742-F3775 AromaticContact CZ3-CD1 3.82Å; W3742-F3775 HydrophobicContact CZ3-CD1 3.94Å; W3742-F3775 HydrophobicContact CZ3-CE1 4.28Å; W3742-L3779 HydrophobicContact CE3-CB 4.43Å; W3742-L3779 HydrophobicContact CH2-CB 4.05Å; W3742-L3779 HydrophobicContact CH2-CD2 4.11Å; W3742-L3779 HydrophobicContact CZ2-CB 4.22Å; W3742-L3779 HydrophobicContact CZ3-CB 3.93Å; W3742-L3779 HydrophobicContact CZ3-CD1 4.39Å; W3742-L3779 HydrophobicContact CZ3-CD2 4.09Å; W3742-L3779 HydrophobicContact CZ3-CG 4.4Å; W3742-L3798 VanDerWaalsContact NE1-CA 3.25Å; W3742-H3799 AromaticContact CD1-CE1 3.61Å; W3742-H3799 AromaticContact CD1-ND1 3.98Å; W3742-H3799 AromaticContact CD1-NE2 3.66Å; W3742-H3799 PolarHBondContact N-CE1 3.26Å; W3742-H3799 PolarHBondContact N-ND1 3.07Å
3743Q80.8Confident79.3Confident99.5 Ų99.561.5 Ų61.547%0.46530%0.3SS..Hα-helixtrans-56.2-50.9168.2-155.2-178.9-45.200111.9E3739 E3740 S3741 R3746 E3747E3739-Q3743 PolarHBondContact O-N 3.08Å; E3740-Q3743 WeakPolarHBondContact O-CB 3.39Å; E3740-Q3743 PolarHBondContact O-N 3.31Å; S3741-Q3743 PolarHBondContact O-N 3.06Å; Q3743-R3746 VanDerWaalsContact CG-NH2 3.35Å; Q3743-R3746 CarbonylContact O-C 3.33Å; Q3743-R3746 WeakPolarHBondContact O-CA 3.23Å; Q3743-R3746 WeakPolarHBondContact O-CB 3.44Å; Q3743-R3746 PolarHBondContact O-N 2.99Å; Q3743-E3747 HydrophobicContact CG-CG 4.48Å; Q3743-E3747 WeakPolarHBondContact CG-OE1 3.4Å; Q3743-E3747 PolarHBondContact NE2-OE1 3.03Å; Q3743-E3747 VanDerWaalsContact O-CB 3.24Å; Q3743-E3747 WeakPolarHBondContact O-CB 3.42Å; Q3743-E3747 VanDerWaalsContact O-CG 3.25Å; Q3743-E3747 WeakPolarHBondContact O-CG 3.32Å; Q3743-E3747 PolarHBondContact O-N 2.89Å
3744F84.1Confident79.8Confident56 Ų5656.5 Ų56.525%0.24628%0.281CS..Hα-helixtrans-59-50.3175.1-176.3-111.7000113.7I3729 W3733 E3740 S3741 W3742 R3746 E3747 V3748 E3800 G3801I3729-F3744 HydrophobicContact CG2-CE1 4.32Å; W3733-F3744 HydrophobicContact CB-CD1 4.44Å; W3733-F3744 HydrophobicContact CB-CE1 4.49Å; W3733-F3744 AromaticContact CD1-CE1 3.92Å; W3733-F3744 HydrophobicContact CD2-CD1 4.02Å; W3733-F3744 AromaticContact CD2-CE1 3.7Å; W3733-F3744 HydrophobicContact CD2-CE1 3.7Å; W3733-F3744 VanDerWaalsContact CD2-CE1 3.47Å; W3733-F3744 HydrophobicContact CD2-CZ 4.29Å; W3733-F3744 AromaticContact CE2-CE1 3.61Å; W3733-F3744 HydrophobicContact CE3-CD1 4.23Å; W3733-F3744 AromaticContact CE3-CE1 3.91Å; W3733-F3744 HydrophobicContact CE3-CE1 4.17Å; W3733-F3744 HydrophobicContact CG-CD1 4.21Å; W3733-F3744 AromaticContact CG-CE1 3.72Å; W3733-F3744 HydrophobicContact CG-CE1 4.04Å; W3733-F3744 HydrophobicContact CH2-CE1 4.42Å; W3733-F3744 HydrophobicContact CH2-CZ 4.42Å; W3733-F3744 AromaticContact CZ2-CE1 3.88Å; W3733-F3744 HydrophobicContact CZ2-CE1 3.99Å; W3733-F3744 HydrophobicContact CZ2-CZ 4.2Å; W3733-F3744 HydrophobicContact CZ3-CE1 4.38Å; W3733-F3744 AromaticContact NE1-CE1 3.85Å; E3740-F3744 VanDerWaalsContact O-CB 3.31Å; E3740-F3744 WeakPolarHBondContact O-CB 3.27Å; E3740-F3744 PolarHBondContact O-N 2.86Å; S3741-F3744 WeakPolarHBondContact O-CB 3.33Å; S3741-F3744 PolarHBondContact O-N 3.11Å; S3741-F3744 VanDerWaalsContact O-N 3.14Å; W3742-F3744 VanDerWaalsContact C-N 3.32Å; F3744-R3746 PolarHBondContact O-N 3.37Å; F3744-E3747 CarbonylContact O-C 3.41Å; F3744-E3747 PolarHBondContact O-N 2.88Å; F3744-E3747 VanDerWaalsContact O-N 3.15Å; F3744-V3748 HydrophobicContact CD1-CG2 4.13Å; F3744-V3748 HydrophobicContact CD2-CG2 3.93Å; F3744-V3748 VanDerWaalsContact CD2-CG2 3.46Å; F3744-V3748 HydrophobicContact CE1-CG2 3.85Å; F3744-V3748 HydrophobicContact CE2-CG2 3.69Å; F3744-V3748 HydrophobicContact CG-CG2 4.19Å; F3744-V3748 HydrophobicContact CZ-CG2 3.66Å; F3744-V3748 VanDerWaalsContact O-CB 3.3Å; F3744-V3748 WeakPolarHBondContact O-CB 3.34Å; F3744-V3748 VanDerWaalsContact O-CG2 3.31Å; F3744-V3748 WeakPolarHBondContact O-CG2 3.34Å; F3744-V3748 PolarHBondContact O-N 3.11Å; F3744-E3800 VanDerWaalsContact CB-C 3.43Å; F3744-E3800 WeakPolarHBondContact CB-O 3.24Å; F3744-E3800 WeakPolarHBondContact CD1-O 3.09Å; F3744-E3800 VanDerWaalsContact CG-O 3.24Å; F3744-E3800 WeakPolarHBondContact CG-O 3.4Å; F3744-G3801 WeakPolarHBondContact CA-O 3.31Å; F3744-G3801 WeakPolarHBondContact CB-O 3.08Å
3745V84.2Confident80.3Confident1.5 Ų1.557.4 Ų57.41%0.00929%0.291CS..Hα-helixtrans-58.4-40.4178.8173.10000109.4A3730 W3733 L3734 S3741 W3742 V3748 L3749 F3775A3730-V3745 HydrophobicContact CB-CG1 4.25Å; W3733-V3745 HydrophobicContact CB-CG2 4.09Å; L3734-V3745 HydrophobicContact CD1-CG2 4.42Å; L3734-V3745 HydrophobicContact CD2-CG2 4.08Å; L3734-V3745 HydrophobicContact CG-CG2 4.18Å; S3741-V3745 VanDerWaalsContact O-CG2 3.25Å; S3741-V3745 WeakPolarHBondContact O-CG2 3.39Å; S3741-V3745 PolarHBondContact O-N 2.99Å; S3741-V3745 VanDerWaalsContact O-N 3.08Å; W3742-V3745 PolarHBondContact O-N 3.39Å; V3745-V3748 PolarHBondContact O-N 3.36Å; V3745-L3749 HydrophobicContact CG1-CD1 3.91Å; V3745-L3749 HydrophobicContact CG1-CG 4.43Å; V3745-L3749 WeakPolarHBondContact O-CB 3.36Å; V3745-L3749 VanDerWaalsContact O-CD1 3.26Å; V3745-L3749 WeakPolarHBondContact O-CD1 3.27Å; V3745-L3749 VanDerWaalsContact O-CG 3.24Å; V3745-L3749 WeakPolarHBondContact O-CG 3.39Å; V3745-L3749 PolarHBondContact O-N 3.28Å; V3745-F3775 HydrophobicContact CG1-CD1 4.28Å; V3745-F3775 HydrophobicContact CG1-CE1 4.02Å
3746R85.6Confident81.1Confident70 Ų7058.1 Ų58.126%0.26430%0.297SS..Hα-helixtrans-65.3-41.1173.4-173.3-176.6118.9-162.4-2.2113.5W3742 Q3743 F3744 V3748 L3749 E3750 L3771 F3775W3742-R3746 WeakPolarHBondContact O-CB 3.22Å; W3742-R3746 PolarHBondContact O-N 3.09Å; Q3743-R3746 VanDerWaalsContact CG-NH2 3.35Å; Q3743-R3746 CarbonylContact O-C 3.33Å; Q3743-R3746 WeakPolarHBondContact O-CA 3.23Å; Q3743-R3746 WeakPolarHBondContact O-CB 3.44Å; Q3743-R3746 PolarHBondContact O-N 2.99Å; F3744-R3746 PolarHBondContact O-N 3.37Å; R3746-V3748 VanDerWaalsContact C-N 3.33Å; R3746-V3748 PolarHBondContact O-N 3.24Å; R3746-L3749 PolarHBondContact O-N 2.88Å; R3746-E3750 WeakPolarHBondContact O-CB 3.39Å; R3746-E3750 PolarHBondContact O-N 3Å; R3746-L3771 HydrophobicContact CG-CB 4.04Å; R3746-L3771 HydrophobicContact CG-CD2 4.29Å; R3746-L3771 HydrophobicContact CG-CG 4.42Å; R3746-F3775 HydrophobicContact CB-CB 4.16Å; R3746-F3775 HydrophobicContact CG-CB 4.19Å
3747E85.9Confident82.1Confident58 Ų5857 Ų5727%0.27129%0.285SS..Hα-helixtrans-73.4-32.1-179.2-77174.9-166.600112.2Q3743 F3744 N3751 K3802Q3743-E3747 HydrophobicContact CG-CG 4.48Å; Q3743-E3747 WeakPolarHBondContact CG-OE1 3.4Å; Q3743-E3747 PolarHBondContact NE2-OE1 3.03Å; Q3743-E3747 VanDerWaalsContact O-CB 3.24Å; Q3743-E3747 WeakPolarHBondContact O-CB 3.42Å; Q3743-E3747 VanDerWaalsContact O-CG 3.25Å; Q3743-E3747 WeakPolarHBondContact O-CG 3.32Å; Q3743-E3747 PolarHBondContact O-N 2.89Å; F3744-E3747 CarbonylContact O-C 3.41Å; F3744-E3747 PolarHBondContact O-N 2.88Å; F3744-E3747 VanDerWaalsContact O-N 3.15Å; E3747-N3751 VanDerWaalsContact O-CB 3.29Å; E3747-N3751 WeakPolarHBondContact O-CB 3.29Å; E3747-N3751 PolarHBondContact O-N 2.71Å; E3747-N3751 PolarHBondContact O-ND2 3.04Å; E3747-K3802 WeakPolarHBondContact OE2-CA 3.36Å
3748V89.4Confident83.2Confident17 Ų1751.8 Ų51.810%0.10326%0.263CS..Hα-helixtrans-72.7-43.4171.9173.70000110.2I3729 F3744 V3745 R3746 E3750 V3752 I3753I3729-V3748 HydrophobicContact CD1-CG1 3.92Å; I3729-V3748 HydrophobicContact CG2-CG1 4.33Å; F3744-V3748 HydrophobicContact CD1-CG2 4.13Å; F3744-V3748 HydrophobicContact CD2-CG2 3.93Å; F3744-V3748 VanDerWaalsContact CD2-CG2 3.46Å; F3744-V3748 HydrophobicContact CE1-CG2 3.85Å; F3744-V3748 HydrophobicContact CE2-CG2 3.69Å; F3744-V3748 HydrophobicContact CG-CG2 4.19Å; F3744-V3748 HydrophobicContact CZ-CG2 3.66Å; F3744-V3748 VanDerWaalsContact O-CB 3.3Å; F3744-V3748 WeakPolarHBondContact O-CB 3.34Å; F3744-V3748 VanDerWaalsContact O-CG2 3.31Å; F3744-V3748 WeakPolarHBondContact O-CG2 3.34Å; F3744-V3748 PolarHBondContact O-N 3.11Å; V3745-V3748 PolarHBondContact O-N 3.36Å; R3746-V3748 VanDerWaalsContact C-N 3.33Å; R3746-V3748 PolarHBondContact O-N 3.24Å; V3748-E3750 VanDerWaalsContact C-N 3.33Å; V3748-E3750 PolarHBondContact O-N 3.03Å; V3748-V3752 HydrophobicContact CG1-CB 4.07Å; V3748-V3752 HydrophobicContact CG1-CG2 4.31Å; V3748-V3752 CarbonylContact O-C 3.59Å; V3748-V3752 WeakPolarHBondContact O-CA 3.31Å; V3748-V3752 VanDerWaalsContact O-CB 3.3Å; V3748-V3752 WeakPolarHBondContact O-CB 3.44Å; V3748-V3752 PolarHBondContact O-N 3.42Å; V3748-I3753 HydrophobicContact CG1-CD1 4.08Å; V3748-I3753 HydrophobicContact CG1-CG1 4.32Å; V3748-I3753 PolarHBondContact O-N 3.02Å; V3748-I3753 VanDerWaalsContact O-N 3.11Å
3749L89.3Confident84Confident2.5 Ų2.555.8 Ų55.81%0.01328%0.277CS..Iπ-helixtrans-61.1-42.4172.1-71.8167.6000111.4L3694 L3697 V3745 R3746 I3753 Y3754 L3771 F3775L3694-L3749 HydrophobicContact CD1-CD1 4.12Å; L3694-L3749 HydrophobicContact CD1-CD2 3.61Å; L3697-L3749 HydrophobicContact CD2-CD1 4.44Å; V3745-L3749 HydrophobicContact CG1-CD1 3.91Å; V3745-L3749 HydrophobicContact CG1-CG 4.43Å; V3745-L3749 WeakPolarHBondContact O-CB 3.36Å; V3745-L3749 VanDerWaalsContact O-CD1 3.26Å; V3745-L3749 WeakPolarHBondContact O-CD1 3.27Å; V3745-L3749 VanDerWaalsContact O-CG 3.24Å; V3745-L3749 WeakPolarHBondContact O-CG 3.39Å; V3745-L3749 PolarHBondContact O-N 3.28Å; R3746-L3749 PolarHBondContact O-N 2.88Å; L3749-I3753 HydrophobicContact CD2-CB 4.49Å; L3749-I3753 HydrophobicContact CD2-CD1 3.95Å; L3749-Y3754 HydrophobicContact CB-CD2 4.41Å; L3749-Y3754 HydrophobicContact CD2-CD2 3.92Å; L3749-Y3754 HydrophobicContact CD2-CE2 3.69Å; L3749-Y3754 VanDerWaalsContact CD2-CE2 3.48Å; L3749-Y3754 WeakPolarHBondContact O-CB 3.29Å; L3749-Y3754 PolarHBondContact O-N 3Å; L3749-L3771 HydrophobicContact CB-CD1 4.26Å; L3749-L3771 HydrophobicContact CB-CD2 3.87Å; L3749-L3771 HydrophobicContact CD1-CD2 4.08Å; L3749-F3775 HydrophobicContact CD1-CD1 4.38Å; L3749-F3775 HydrophobicContact CD1-CD2 4.47Å; L3749-F3775 HydrophobicContact CD1-CE1 4.1Å; L3749-F3775 HydrophobicContact CD1-CE2 3.98Å; L3749-F3775 HydrophobicContact CD1-CZ 3.75Å
3750E90.2Very high84.9Confident26 Ų2651.6 Ų51.612%0.12126%0.259CS..Iπ-helixtrans-67.2-52.3178.6-173176161.500111.9R3746 V3748 G3755 R3768 L3771R3746-E3750 WeakPolarHBondContact O-CB 3.39Å; R3746-E3750 PolarHBondContact O-N 3Å; V3748-E3750 VanDerWaalsContact C-N 3.33Å; V3748-E3750 PolarHBondContact O-N 3.03Å; E3750-G3755 WeakPolarHBondContact O-CA 3.46Å; E3750-G3755 PolarHBondContact O-N 3.43Å; E3750-R3768 IonicContact OE1-CZ 2.63Å; E3750-R3768 VanDerWaalsContact OE1-CZ 3.3Å; E3750-R3768 IonicContact OE1-NE 3.38Å; E3750-R3768 PolarHBondContact OE1-NE 3.42Å; E3750-R3768 IonicContact OE1-NH2 3.1Å; E3750-R3768 PolarHBondContact OE1-NH2 3.14Å; E3750-R3768 IonicContact OE2-NE 3.6Å; E3750-L3771 HydrophobicContact CB-CD1 3.68Å; E3750-L3771 HydrophobicContact CG-CD1 4.34Å
3751N88.4Confident85.4Confident98 Ų9849.2 Ų49.252%0.52426%0.26SS..Iπ-helixtrans-98.4-27.4-167.3-61.1-64.9000114.3E3747E3747-N3751 VanDerWaalsContact O-CB 3.29Å; E3747-N3751 WeakPolarHBondContact O-CB 3.29Å; E3747-N3751 PolarHBondContact O-N 2.71Å; E3747-N3751 PolarHBondContact O-ND2 3.04Å
3752V87.6Confident85.7Confident92.5 Ų92.550.6 Ų50.656%0.56127%0.272SS*.Iπ-helixtrans-105.9-41-170.4-174.30000112.1V3748 C3756V3748-V3752 HydrophobicContact CG1-CB 4.07Å; V3748-V3752 HydrophobicContact CG1-CG2 4.31Å; V3748-V3752 CarbonylContact O-C 3.59Å; V3748-V3752 WeakPolarHBondContact O-CA 3.31Å; V3748-V3752 VanDerWaalsContact O-CB 3.3Å; V3748-V3752 WeakPolarHBondContact O-CB 3.44Å; V3748-V3752 PolarHBondContact O-N 3.42Å; V3752-C3756 WeakPolarHBondContact O-CB 3.33Å; V3752-C3756 PolarHBondContact O-SG 2.92Å
3753I89.3Confident86.2Confident8 Ų849.3 Ų49.34%0.04127%0.267CS..Iπ-helixtrans-98.4-60.5-171.8-58.8173.6000112D3722 T3725 G3726 I3729 V3748 L3749 C3756D3722-I3753 HydrophobicContact CB-CG2 3.83Å; D3722-I3753 VanDerWaalsContact O-CG2 3.32Å; D3722-I3753 WeakPolarHBondContact O-CG2 3.41Å; T3725-I3753 HydrophobicContact CG2-CD1 4.29Å; G3726-I3753 VanDerWaalsContact CA-CD1 3.48Å; I3729-I3753 HydrophobicContact CD1-CD1 4.11Å; V3748-I3753 HydrophobicContact CG1-CD1 4.08Å; V3748-I3753 HydrophobicContact CG1-CG1 4.32Å; V3748-I3753 PolarHBondContact O-N 3.02Å; V3748-I3753 VanDerWaalsContact O-N 3.11Å; L3749-I3753 HydrophobicContact CD2-CB 4.49Å; L3749-I3753 HydrophobicContact CD2-CD1 3.95Å; I3753-C3756 PolarHBondContact O-SG 3.33Å
3754Y90.1Very high86.6Confident0 Ų045.9 Ų45.90%026%0.256CS..Iπ-helixtrans-91.7-43.1-175.4-71.5-94.8000111.9L3694 L3697 H3698 C3701 F3718 L3749 C3756 R3757 L3767L3694-Y3754 HydrophobicContact CD1-CE2 4.3Å; L3697-Y3754 HydrophobicContact CD2-CD2 4.31Å; L3697-Y3754 HydrophobicContact CD2-CE2 4.08Å; H3698-Y3754 AromaticContact ND1-CE1 3.86Å; H3698-Y3754 AromaticContact ND1-CZ 3.81Å; H3698-Y3754 PolarHBondContact ND1-OH 2.91Å; C3701-Y3754 HydrophobicContact CB-CD1 4.35Å; C3701-Y3754 HydrophobicContact CB-CE1 4.3Å; F3718-Y3754 HydrophobicContact CB-CD1 4.38Å; F3718-Y3754 HydrophobicContact CB-CE1 4.1Å; F3718-Y3754 AromaticContact CD1-CD1 3.53Å; F3718-Y3754 HydrophobicContact CD1-CD1 3.53Å; F3718-Y3754 VanDerWaalsContact CD1-CD1 3.4Å; F3718-Y3754 AromaticContact CD1-CE1 3.93Å; F3718-Y3754 HydrophobicContact CD1-CE1 4.11Å; F3718-Y3754 HydrophobicContact CD1-CG 4.46Å; F3718-Y3754 AromaticContact CE1-CD1 3.72Å; F3718-Y3754 HydrophobicContact CE1-CD1 3.89Å; F3718-Y3754 AromaticContact CG-CD1 3.95Å; F3718-Y3754 HydrophobicContact CG-CD1 4.01Å; F3718-Y3754 HydrophobicContact CG-CE1 4.17Å; L3749-Y3754 HydrophobicContact CB-CD2 4.41Å; L3749-Y3754 HydrophobicContact CD2-CD2 3.92Å; L3749-Y3754 HydrophobicContact CD2-CE2 3.69Å; L3749-Y3754 VanDerWaalsContact CD2-CE2 3.48Å; L3749-Y3754 WeakPolarHBondContact O-CB 3.29Å; L3749-Y3754 PolarHBondContact O-N 3Å; Y3754-C3756 VanDerWaalsContact C-N 3.3Å; Y3754-C3756 PolarHBondContact O-N 3.26Å; Y3754-R3757 WeakPolarHBondContact O-CB 3.4Å; Y3754-R3757 PolarHBondContact O-N 3.4Å; Y3754-R3757 VanDerWaalsContact O-N 3.13Å; Y3754-L3767 HydrophobicContact CG-CD1 4.44Å
3755G87.2Confident86.7Confident21 Ų2145.9 Ų45.922%0.21626%0.261CS..G310 helixtrans-73.2-17.9-178.400000114.6E3750 R3757 I3758 L3767E3750-G3755 WeakPolarHBondContact O-CA 3.46Å; E3750-G3755 PolarHBondContact O-N 3.43Å; G3755-R3757 PolarHBondContact O-N 2.94Å; G3755-I3758 PolarHBondContact O-N 3.16Å; G3755-I3758 VanDerWaalsContact O-N 3.12Å; G3755-L3767 VanDerWaalsContact N-CD2 3.33Å
3756C87.2Confident86.8Confident81.5 Ų81.546.8 Ų46.855%0.55127%0.266SS*.G310 helixtrans-64.9-19.6170.872.50000112.6V3752 I3753 Y3754V3752-C3756 WeakPolarHBondContact O-CB 3.33Å; V3752-C3756 PolarHBondContact O-SG 2.92Å; I3753-C3756 PolarHBondContact O-SG 3.33Å; Y3754-C3756 VanDerWaalsContact C-N 3.3Å; Y3754-C3756 PolarHBondContact O-N 3.26Å
3757R86Confident87Confident85 Ų8543.6 Ų43.632%0.32125%0.254SS..G310 helixtrans-89-18.4175.5-52.1-64.7-170.2152.34.9112.9Y3716 E3717 F3718 D3722 Y3754 G3755Y3716-R3757 WeakPolarHBondContact CD1-O 3.39Å; Y3716-R3757 WeakPolarHBondContact CE1-O 3.36Å; E3717-R3757 WeakPolarHBondContact O-CD 3.18Å; E3717-R3757 VanDerWaalsContact O-CG 3.28Å; E3717-R3757 WeakPolarHBondContact O-CG 3.32Å; E3717-R3757 PolarHBondContact O-NE 3.02Å; F3718-R3757 HydrophobicContact CD1-CB 4.32Å; F3718-R3757 HydrophobicContact CD1-CG 4.23Å; F3718-R3757 HydrophobicContact CE1-CB 3.99Å; F3718-R3757 HydrophobicContact CE1-CG 4.36Å; D3722-R3757 VanDerWaalsContact CG-NH2 3.33Å; D3722-R3757 IonicContact OD1-CZ 2.69Å; D3722-R3757 IonicContact OD1-NE 2.86Å; D3722-R3757 PolarHBondContact OD1-NE 3Å; D3722-R3757 IonicContact OD1-NH2 2.71Å; D3722-R3757 PolarHBondContact OD1-NH2 3.15Å; D3722-R3757 IonicContact OD2-CZ 2.93Å; D3722-R3757 IonicContact OD2-NE 2.62Å; D3722-R3757 IonicContact OD2-NH2 3.64Å; D3722-R3757 PolarHBondContact OD2-NH2 2.92Å; D3722-R3757 VanDerWaalsContact OD2-NH2 3.1Å; Y3754-R3757 WeakPolarHBondContact O-CB 3.4Å; Y3754-R3757 PolarHBondContact O-N 3.4Å; Y3754-R3757 VanDerWaalsContact O-N 3.13Å; G3755-R3757 PolarHBondContact O-N 2.94Å
3758I87Confident87.1Confident17.5 Ų17.545.9 Ų45.99%0.0926%0.261CS..  trans-100.3116.7-170.9-61-177.6000110.1W3712 Y3716 F3718 G3755 D3760 D3763 A3764 L3767W3712-I3758 HydrophobicContact CH2-CD1 4.15Å; W3712-I3758 HydrophobicContact CZ3-CD1 4.15Å; Y3716-I3758 HydrophobicContact CD1-CG1 4.45Å; Y3716-I3758 HydrophobicContact CD2-CG1 4.11Å; Y3716-I3758 HydrophobicContact CE1-CB 4.45Å; Y3716-I3758 HydrophobicContact CE1-CG2 4.48Å; Y3716-I3758 HydrophobicContact CE2-CB 4.48Å; Y3716-I3758 HydrophobicContact CE2-CG1 4.23Å; Y3716-I3758 HydrophobicContact CE2-CG2 4.18Å; Y3716-I3758 HydrophobicContact CG-CG1 4.29Å; F3718-I3758 HydrophobicContact CE1-CD1 4.44Å; F3718-I3758 HydrophobicContact CE1-CG1 4.29Å; F3718-I3758 HydrophobicContact CZ-CD1 4.18Å; F3718-I3758 HydrophobicContact CZ-CG1 4.18Å; G3755-I3758 PolarHBondContact O-N 3.16Å; G3755-I3758 VanDerWaalsContact O-N 3.12Å; I3758-D3760 WeakPolarHBondContact CG2-O 3.36Å; I3758-D3763 HydrophobicContact CG2-CB 3.47Å; I3758-D3763 VanDerWaalsContact CG2-CB 3.42Å; I3758-A3764 HydrophobicContact CG2-CB 4.22Å; I3758-L3767 HydrophobicContact CD1-CB 3.89Å; I3758-L3767 HydrophobicContact CD1-CD2 3.72Å; I3758-L3767 HydrophobicContact CD1-CG 4.31Å
3759E83.1Confident86.9Confident149.5 Ų149.547.7 Ų47.770%0.69927%0.269SS*.  trans-88.7-33.5178.2-60.4179.6158.700112.9K3714K3714-E3759 WeakPolarHBondContact CD-OE2 3.36Å; K3714-E3759 IonicContact NZ-OE2 2.89Å; K3714-E3759 PolarHBondContact NZ-OE2 2.87Å
3760D84.3Confident86.8Confident44.5 Ų44.548 Ų4824%0.23827%0.271CS..  trans-82.3135.8-174.3-179.870.6000112.7C3713 Y3716 I3758 A3762 D3763 A3764 K4047C3713-D3760 HydrophobicContact CB-CB 4.47Å; Y3716-D3760 WeakPolarHBondContact OH-CB 3.38Å; I3758-D3760 WeakPolarHBondContact CG2-O 3.36Å; D3760-A3762 PolarHBondContact O-N 2.88Å; D3760-A3762 PolarHBondContact OD1-N 3.39Å; D3760-A3762 WeakPolarHBondContact OD2-CA 3.47Å; D3760-A3762 WeakPolarHBondContact OD2-CB 3.39Å; D3760-A3762 PolarHBondContact OD2-N 3.13Å; D3760-A3762 VanDerWaalsContact OD2-N 3.14Å; D3760-D3763 HydrophobicContact CB-CB 4.07Å; D3760-D3763 PolarHBondContact O-N 3.14Å; D3760-D3763 PolarHBondContact OD2-N 3.34Å; D3760-A3764 WeakPolarHBondContact O-CB 3.45Å; D3760-A3764 PolarHBondContact O-N 3.27Å; D3760-K4047 IonicContact OD2-NZ 2.73Å; D3760-K4047 PolarHBondContact OD2-NZ 2.62Å
3761A83Confident86.6Confident70.5 Ų70.546.8 Ų46.858%0.58327%0.265SS*.Hα-helixtrans-68.5-30.5-178.800000113.5T3765A3761-T3765 WeakPolarHBondContact O-CB 3.43Å; A3761-T3765 PolarHBondContact O-N 3.01Å; A3761-T3765 VanDerWaalsContact O-N 3.12Å; A3761-T3765 PolarHBondContact O-OG1 3.33Å
3762A80.5Confident86.3Confident33.5 Ų33.544.1 Ų44.128%0.27726%0.256SS..Hα-helixtrans-73.9-39.9175.500000111D3760 A3764 T3765 V3766 P4018D3760-A3762 PolarHBondContact O-N 2.88Å; D3760-A3762 PolarHBondContact OD1-N 3.39Å; D3760-A3762 WeakPolarHBondContact OD2-CA 3.47Å; D3760-A3762 WeakPolarHBondContact OD2-CB 3.39Å; D3760-A3762 PolarHBondContact OD2-N 3.13Å; D3760-A3762 VanDerWaalsContact OD2-N 3.14Å; A3762-A3764 VanDerWaalsContact C-N 3.34Å; A3762-A3764 PolarHBondContact O-N 3.19Å; A3762-T3765 WeakPolarHBondContact O-CA 3.36Å; A3762-T3765 VanDerWaalsContact O-CB 3.31Å; A3762-T3765 WeakPolarHBondContact O-CB 3.48Å; A3762-T3765 PolarHBondContact O-N 3.07Å; A3762-T3765 VanDerWaalsContact O-N 3.08Å; A3762-V3766 WeakPolarHBondContact O-CG2 3.36Å; A3762-V3766 PolarHBondContact O-N 3.16Å; A3762-P4018 HydrophobicContact CB-CG 4.47Å
3763D87.6Confident85.9Confident3 Ų343.1 Ų43.12%0.01625%0.246CC..Hα-helixtrans-63.1-43.3172.6-71.5-27.3000111.4W3712 C3713 Y3716 I3758 D3760 T3765 V3766 L3767 K4047W3712-D3763 HydrophobicContact CE3-CB 3.76Å; W3712-D3763 HydrophobicContact CZ3-CB 3.92Å; W3712-D3763 WeakPolarHBondContact CZ3-O 3.48Å; C3713-D3763 VanDerWaalsContact CB-OD2 3.27Å; C3713-D3763 WeakPolarHBondContact CB-OD2 3.41Å; C3713-D3763 PolarHBondContact N-OD1 3.28Å; C3713-D3763 VanDerWaalsContact N-OD1 3.16Å; C3713-D3763 PolarHBondContact N-OD2 3.17Å; Y3716-D3763 HydrophobicContact CE2-CB 3.97Å; Y3716-D3763 WeakPolarHBondContact CE2-OD2 3.33Å; Y3716-D3763 VanDerWaalsContact CZ-OD2 3.27Å; Y3716-D3763 PolarHBondContact OH-OD2 3.02Å; I3758-D3763 HydrophobicContact CG2-CB 3.47Å; I3758-D3763 VanDerWaalsContact CG2-CB 3.42Å; D3760-D3763 HydrophobicContact CB-CB 4.07Å; D3760-D3763 PolarHBondContact O-N 3.14Å; D3760-D3763 PolarHBondContact OD2-N 3.34Å; D3763-T3765 PolarHBondContact O-N 3.08Å; D3763-V3766 WeakPolarHBondContact O-CB 3.33Å; D3763-V3766 PolarHBondContact O-N 3.06Å; D3763-V3766 VanDerWaalsContact O-N 3.12Å; D3763-L3767 PolarHBondContact O-N 3.15Å; D3763-K4047 WeakPolarHBondContact OD1-CE 3.29Å; D3763-K4047 IonicContact OD1-NZ 3.73Å; D3763-K4047 PolarHBondContact OD1-NZ 3.02Å
3764A87.7Confident85.3Confident29 Ų2942.9 Ų42.924%0.2425%0.245CC..Hα-helixtrans-61.2-34174.900000112.1I3758 D3760 A3762 R3768I3758-A3764 HydrophobicContact CG2-CB 4.22Å; D3760-A3764 WeakPolarHBondContact O-CB 3.45Å; D3760-A3764 PolarHBondContact O-N 3.27Å; A3762-A3764 VanDerWaalsContact C-N 3.34Å; A3762-A3764 PolarHBondContact O-N 3.19Å; A3764-R3768 WeakPolarHBondContact O-CB 3.22Å; A3764-R3768 PolarHBondContact O-N 3.02Å
3765T87.1Confident84.6Confident56 Ų5643.3 Ų43.334%0.34425%0.246SC..Hα-helixtrans-68.6-39.7173.9-59.20000111.8A3761 A3762 D3763 R3768 I3769A3761-T3765 WeakPolarHBondContact O-CB 3.43Å; A3761-T3765 PolarHBondContact O-N 3.01Å; A3761-T3765 VanDerWaalsContact O-N 3.12Å; A3761-T3765 PolarHBondContact O-OG1 3.33Å; A3762-T3765 WeakPolarHBondContact O-CA 3.36Å; A3762-T3765 VanDerWaalsContact O-CB 3.31Å; A3762-T3765 WeakPolarHBondContact O-CB 3.48Å; A3762-T3765 PolarHBondContact O-N 3.07Å; A3762-T3765 VanDerWaalsContact O-N 3.08Å; D3763-T3765 PolarHBondContact O-N 3.08Å; T3765-R3768 PolarHBondContact O-N 3.1Å; T3765-I3769 HydrophobicContact CG2-CD1 4.15Å; T3765-I3769 VanDerWaalsContact O-CG1 3.3Å; T3765-I3769 WeakPolarHBondContact O-CG1 3.36Å; T3765-I3769 PolarHBondContact O-N 3.17Å
3766V86.8Confident83.9Confident20.5 Ų20.544.4 Ų44.412%0.12425%0.247CC..Hα-helixtrans-63.1-45.7173.5170.60000111.2W3712 A3762 D3763 R3768 I3769 L3770 L4044 L4045 K4047W3712-V3766 HydrophobicContact CH2-CB 4.43Å; W3712-V3766 HydrophobicContact CH2-CG1 4.12Å; W3712-V3766 HydrophobicContact CZ3-CB 4.08Å; W3712-V3766 HydrophobicContact CZ3-CG1 3.94Å; A3762-V3766 WeakPolarHBondContact O-CG2 3.36Å; A3762-V3766 PolarHBondContact O-N 3.16Å; D3763-V3766 WeakPolarHBondContact O-CB 3.33Å; D3763-V3766 PolarHBondContact O-N 3.06Å; D3763-V3766 VanDerWaalsContact O-N 3.12Å; V3766-R3768 VanDerWaalsContact C-N 3.33Å; V3766-R3768 PolarHBondContact O-N 3.37Å; V3766-I3769 PolarHBondContact O-N 3.14Å; V3766-L3770 HydrophobicContact CG1-CD1 4Å; V3766-L3770 HydrophobicContact CG1-CG 4.41Å; V3766-L3770 WeakPolarHBondContact O-CG 3.22Å; V3766-L3770 PolarHBondContact O-N 2.98Å; V3766-L4044 WeakPolarHBondContact CG2-O 3.37Å; V3766-L4045 HydrophobicContact CG1-CD2 4.43Å; V3766-K4047 HydrophobicContact CG2-CD 4.12Å; V3766-K4047 HydrophobicContact CG2-CG 3.99Å
3767L89.6Confident82.7Confident1.5 Ų1.548.1 Ų48.11%0.00825%0.254CS..Hα-helixtrans-57.6-46.1175.6176.764.5000111.3L3697 W3712 Y3754 G3755 I3758 D3763 I3769 L3770 L3771L3697-L3767 HydrophobicContact CD1-CD1 4.39Å; W3712-L3767 HydrophobicContact CH2-CB 4.41Å; Y3754-L3767 HydrophobicContact CG-CD1 4.44Å; G3755-L3767 VanDerWaalsContact N-CD2 3.33Å; I3758-L3767 HydrophobicContact CD1-CB 3.89Å; I3758-L3767 HydrophobicContact CD1-CD2 3.72Å; I3758-L3767 HydrophobicContact CD1-CG 4.31Å; D3763-L3767 PolarHBondContact O-N 3.15Å; L3767-I3769 VanDerWaalsContact C-N 3.32Å; L3767-I3769 PolarHBondContact O-N 3.17Å; L3767-L3770 PolarHBondContact O-N 3.13Å; L3767-L3771 HydrophobicContact CD1-CD1 4.03Å; L3767-L3771 HydrophobicContact CD1-CG 4.19Å; L3767-L3771 HydrophobicContact CD2-CD1 4.41Å; L3767-L3771 HydrophobicContact CG-CD1 3.92Å; L3767-L3771 HydrophobicContact CG-CG 4.41Å; L3767-L3771 VanDerWaalsContact O-CB 3.25Å; L3767-L3771 WeakPolarHBondContact O-CB 3.27Å; L3767-L3771 WeakPolarHBondContact O-CG 3.39Å; L3767-L3771 PolarHBondContact O-N 2.99Å
3768R88.3Confident81.5Confident107.5 Ų107.548.3 Ų48.341%0.40626%0.261SS..Hα-helixtrans-59.4-40.4177.5-175.6-177.9-59.7113.914.6112.6E3750 A3764 T3765 V3766 A3772E3750-R3768 IonicContact OE1-CZ 2.63Å; E3750-R3768 VanDerWaalsContact OE1-CZ 3.3Å; E3750-R3768 IonicContact OE1-NE 3.38Å; E3750-R3768 PolarHBondContact OE1-NE 3.42Å; E3750-R3768 IonicContact OE1-NH2 3.1Å; E3750-R3768 PolarHBondContact OE1-NH2 3.14Å; E3750-R3768 IonicContact OE2-NE 3.6Å; A3764-R3768 WeakPolarHBondContact O-CB 3.22Å; A3764-R3768 PolarHBondContact O-N 3.02Å; T3765-R3768 PolarHBondContact O-N 3.1Å; V3766-R3768 VanDerWaalsContact C-N 3.33Å; V3766-R3768 PolarHBondContact O-N 3.37Å; R3768-A3772 WeakPolarHBondContact O-CB 3.38Å; R3768-A3772 PolarHBondContact O-N 3.32Å
3769I84.9Confident80.2Confident54 Ų5447.6 Ų47.628%0.27726%0.258SS..Hα-helixtrans-67.2-47.7177.2-66.4163.8000110.3T3765 V3766 L3767 L3771 A3772 E3773 K4041 L4044 L4045T3765-I3769 HydrophobicContact CG2-CD1 4.15Å; T3765-I3769 VanDerWaalsContact O-CG1 3.3Å; T3765-I3769 WeakPolarHBondContact O-CG1 3.36Å; T3765-I3769 PolarHBondContact O-N 3.17Å; V3766-I3769 PolarHBondContact O-N 3.14Å; L3767-I3769 VanDerWaalsContact C-N 3.32Å; L3767-I3769 PolarHBondContact O-N 3.17Å; I3769-L3771 VanDerWaalsContact C-N 3.32Å; I3769-L3771 PolarHBondContact O-N 3.26Å; I3769-A3772 WeakPolarHBondContact O-CB 3.49Å; I3769-A3772 PolarHBondContact O-N 3.02Å; I3769-A3772 VanDerWaalsContact O-N 3.12Å; I3769-E3773 WeakPolarHBondContact O-CG 3.14Å; I3769-E3773 PolarHBondContact O-N 3.01Å; I3769-K4041 HydrophobicContact CG2-CB 4.18Å; I3769-K4041 HydrophobicContact CG2-CD 4.1Å; I3769-K4041 HydrophobicContact CG2-CG 4.22Å; I3769-L4044 HydrophobicContact CD1-CB 3.62Å; I3769-L4044 HydrophobicContact CD1-CD1 3.66Å; I3769-L4044 HydrophobicContact CD1-CG 4.28Å; I3769-L4045 HydrophobicContact CB-CD2 4.18Å; I3769-L4045 HydrophobicContact CG2-CD1 3.98Å; I3769-L4045 HydrophobicContact CG2-CD2 3.76Å; I3769-L4045 HydrophobicContact CG2-CG 3.8Å
3770L86Confident78.8Confident9 Ų942.8 Ų42.85%0.04724%0.243CC..Hα-helixtrans-57.5-44.9176.7-70.6172000111.7L3697 I3700 W3712 V3766 L3767 A3772 E3773 L3774 L3791 L4045L3697-L3770 HydrophobicContact CD1-CB 4.15Å; I3700-L3770 HydrophobicContact CG2-CD1 4.02Å; I3700-L3770 HydrophobicContact CG2-CD2 4.08Å; W3712-L3770 HydrophobicContact CH2-CD1 4.49Å; V3766-L3770 HydrophobicContact CG1-CD1 4Å; V3766-L3770 HydrophobicContact CG1-CG 4.41Å; V3766-L3770 WeakPolarHBondContact O-CG 3.22Å; V3766-L3770 PolarHBondContact O-N 2.98Å; L3767-L3770 PolarHBondContact O-N 3.13Å; L3770-A3772 VanDerWaalsContact C-N 3.35Å; L3770-E3773 PolarHBondContact O-N 3.18Å; L3770-L3774 VanDerWaalsContact O-CB 3.25Å; L3770-L3774 WeakPolarHBondContact O-CB 3.44Å; L3770-L3774 VanDerWaalsContact O-CG 3.25Å; L3770-L3774 WeakPolarHBondContact O-CG 3.35Å; L3770-L3774 PolarHBondContact O-N 3.02Å; L3770-L3791 HydrophobicContact CD2-CD2 3.66Å; L3770-L4045 HydrophobicContact CD2-CD2 3.67Å; L3770-L4045 HydrophobicContact CG-CD2 3.8Å
3771L86.4Confident77.4Confident0 Ų042.5 Ų42.50%025%0.245CC..Hα-helixtrans-64.2-39.5175.4-80.3173000112.5L3697 R3746 L3749 E3750 L3767 I3769 E3773 F3775L3697-L3771 HydrophobicContact CD1-CD2 4.11Å; L3697-L3771 HydrophobicContact CD1-CG 4.29Å; L3697-L3771 HydrophobicContact CD2-CD2 3.49Å; L3697-L3771 VanDerWaalsContact CD2-CD2 3.46Å; L3697-L3771 HydrophobicContact CD2-CG 4.38Å; L3697-L3771 HydrophobicContact CG-CD2 4.45Å; R3746-L3771 HydrophobicContact CG-CB 4.04Å; R3746-L3771 HydrophobicContact CG-CD2 4.29Å; R3746-L3771 HydrophobicContact CG-CG 4.42Å; L3749-L3771 HydrophobicContact CB-CD1 4.26Å; L3749-L3771 HydrophobicContact CB-CD2 3.87Å; L3749-L3771 HydrophobicContact CD1-CD2 4.08Å; E3750-L3771 HydrophobicContact CB-CD1 3.68Å; E3750-L3771 HydrophobicContact CG-CD1 4.34Å; L3767-L3771 HydrophobicContact CD1-CD1 4.03Å; L3767-L3771 HydrophobicContact CD1-CG 4.19Å; L3767-L3771 HydrophobicContact CD2-CD1 4.41Å; L3767-L3771 HydrophobicContact CG-CD1 3.92Å; L3767-L3771 HydrophobicContact CG-CG 4.41Å; L3767-L3771 VanDerWaalsContact O-CB 3.25Å; L3767-L3771 WeakPolarHBondContact O-CB 3.27Å; L3767-L3771 WeakPolarHBondContact O-CG 3.39Å; L3767-L3771 PolarHBondContact O-N 2.99Å; I3769-L3771 VanDerWaalsContact C-N 3.32Å; I3769-L3771 PolarHBondContact O-N 3.26Å; L3771-E3773 VanDerWaalsContact C-N 3.32Å; L3771-E3773 PolarHBondContact O-N 3.39Å; L3771-F3775 HydrophobicContact CD2-CD2 3.97Å; L3771-F3775 HydrophobicContact CD2-CE2 4.18Å; L3771-F3775 WeakPolarHBondContact O-CA 3.22Å; L3771-F3775 WeakPolarHBondContact O-CB 3.47Å; L3771-F3775 PolarHBondContact O-N 2.89Å
3772A82.6Confident75.9Confident42 Ų4244.4 Ų44.435%0.34725%0.245SC..Hα-helixtrans-66.6-34.2176.900000113R3768 I3769 L3770 N3776R3768-A3772 WeakPolarHBondContact O-CB 3.38Å; R3768-A3772 PolarHBondContact O-N 3.32Å; I3769-A3772 WeakPolarHBondContact O-CB 3.49Å; I3769-A3772 PolarHBondContact O-N 3.02Å; I3769-A3772 VanDerWaalsContact O-N 3.12Å; L3770-A3772 VanDerWaalsContact C-N 3.35Å; A3772-N3776 WeakPolarHBondContact O-CB 3.49Å
3773E78.6Confident74.3Confident72 Ų7247.1 Ų47.134%0.33626%0.258SS..Hα-helixtrans-78.4-41.1178-72.2-173.7169.700112.5I3769 L3770 L3771 N3776 L3791I3769-E3773 WeakPolarHBondContact O-CG 3.14Å; I3769-E3773 PolarHBondContact O-N 3.01Å; L3770-E3773 PolarHBondContact O-N 3.18Å; L3771-E3773 VanDerWaalsContact C-N 3.32Å; L3771-E3773 PolarHBondContact O-N 3.39Å; E3773-N3776 PolarHBondContact O-ND2 3.2Å; E3773-L3791 WeakPolarHBondContact OE2-CD1 3.48Å
3774L78Confident72.1Confident3.5 Ų3.552.1 Ų52.12%0.01829%0.291CS..Hα-helixtrans-82.3-31.9-177.5-66.9173.3000113.5A3693 L3696 L3697 I3700 L3770 L3779 L3787A3693-L3774 WeakPolarHBondContact CB-O 3.37Å; L3696-L3774 HydrophobicContact CD2-CD2 3.68Å; L3696-L3774 HydrophobicContact CG-CD2 4.12Å; L3697-L3774 HydrophobicContact CB-CD1 3.75Å; L3697-L3774 HydrophobicContact CD1-CD1 3.82Å; L3697-L3774 HydrophobicContact CG-CD1 4.33Å; I3700-L3774 HydrophobicContact CD1-CD1 4.23Å; L3770-L3774 VanDerWaalsContact O-CB 3.25Å; L3770-L3774 WeakPolarHBondContact O-CB 3.44Å; L3770-L3774 VanDerWaalsContact O-CG 3.25Å; L3770-L3774 WeakPolarHBondContact O-CG 3.35Å; L3770-L3774 PolarHBondContact O-N 3.02Å; L3774-L3779 WeakPolarHBondContact O-CD1 3.37Å; L3774-L3787 HydrophobicContact CD2-CD1 4.16Å; L3774-L3787 HydrophobicContact CD2-CD2 4.42Å
3775F76Confident70Confident9 Ų955.7 Ų55.74%0.03931%0.306CS..SBendtrans-111.259.4178.1-67.8-99.6000110.3A3693 L3694 L3697 W3742 V3745 R3746 L3749 L3771A3693-F3775 HydrophobicContact CB-CE1 4.39Å; A3693-F3775 HydrophobicContact CB-CE2 4.22Å; A3693-F3775 HydrophobicContact CB-CZ 4.05Å; L3694-F3775 HydrophobicContact CB-CZ 4.08Å; L3694-F3775 HydrophobicContact CD1-CZ 4.44Å; L3697-F3775 HydrophobicContact CD2-CE2 4.32Å; W3742-F3775 HydrophobicContact CE3-CB 4.23Å; W3742-F3775 AromaticContact CE3-CD1 3.65Å; W3742-F3775 HydrophobicContact CE3-CD1 3.97Å; W3742-F3775 HydrophobicContact CE3-CE1 4.47Å; W3742-F3775 HydrophobicContact CE3-CG 4.34Å; W3742-F3775 AromaticContact CZ3-CD1 3.82Å; W3742-F3775 HydrophobicContact CZ3-CD1 3.94Å; W3742-F3775 HydrophobicContact CZ3-CE1 4.28Å; V3745-F3775 HydrophobicContact CG1-CD1 4.28Å; V3745-F3775 HydrophobicContact CG1-CE1 4.02Å; R3746-F3775 HydrophobicContact CB-CB 4.16Å; R3746-F3775 HydrophobicContact CG-CB 4.19Å; L3749-F3775 HydrophobicContact CD1-CD1 4.38Å; L3749-F3775 HydrophobicContact CD1-CD2 4.47Å; L3749-F3775 HydrophobicContact CD1-CE1 4.1Å; L3749-F3775 HydrophobicContact CD1-CE2 3.98Å; L3749-F3775 HydrophobicContact CD1-CZ 3.75Å; L3771-F3775 HydrophobicContact CD2-CD2 3.97Å; L3771-F3775 HydrophobicContact CD2-CE2 4.18Å; L3771-F3775 WeakPolarHBondContact O-CA 3.22Å; L3771-F3775 WeakPolarHBondContact O-CB 3.47Å; L3771-F3775 PolarHBondContact O-N 2.89Å
3776N70.6Confident68.1Low43 Ų4356 Ų5623%0.2331%0.314CS..  trans-94.4168.1-179.471.444.3000112.8A3772 E3773 N3778 L3779A3772-N3776 WeakPolarHBondContact O-CB 3.49Å; E3773-N3776 PolarHBondContact O-ND2 3.2Å; N3776-N3778 PolarHBondContact O-N 3.07Å; N3776-N3778 VanDerWaalsContact OD1-CA 3.26Å; N3776-N3778 WeakPolarHBondContact OD1-CA 3.37Å; N3776-N3778 WeakPolarHBondContact OD1-CB 3.39Å; N3776-N3778 PolarHBondContact OD1-N 2.99Å; N3776-L3779 HydrophobicContact CB-CD1 4.45Å; N3776-L3779 WeakPolarHBondContact O-CD1 3.23Å; N3776-L3779 PolarHBondContact O-N 2.97Å; N3776-L3779 PolarHBondContact OD1-N 3.22Å
3777K62.4Low66.2Low159.5 Ų159.557.1 Ų57.169%0.69332%0.32SS*.G310 helixtrans-61.8-19.4179.3-64-164.3177.6-156.30114.1E3739 L3779 A3780E3739-K3777 WeakPolarHBondContact OE1-CE 3.26Å; E3739-K3777 IonicContact OE1-NZ 2.73Å; E3739-K3777 PolarHBondContact OE1-NZ 3.2Å; E3739-K3777 IonicContact OE2-NZ 2.67Å; E3739-K3777 PolarHBondContact OE2-NZ 3.23Å; K3777-L3779 VanDerWaalsContact C-N 3.31Å; K3777-L3779 PolarHBondContact O-N 3.44Å; K3777-A3780 WeakPolarHBondContact O-CB 3.34Å; K3777-A3780 PolarHBondContact O-N 3.38Å
3778N60.7Low64.2Low89.5 Ų89.562.6 Ų62.648%0.47935%0.348SS..G310 helixtrans-74.1-21.3-178.8-54.9-28.2000112.4N3776 A3780 S3781N3776-N3778 PolarHBondContact O-N 3.07Å; N3776-N3778 VanDerWaalsContact OD1-CA 3.26Å; N3776-N3778 WeakPolarHBondContact OD1-CA 3.37Å; N3776-N3778 WeakPolarHBondContact OD1-CB 3.39Å; N3776-N3778 PolarHBondContact OD1-N 2.99Å; N3778-A3780 PolarHBondContact O-N 3.37Å; N3778-S3781 PolarHBondContact O-N 3.05Å; N3778-S3781 PolarHBondContact O-OG 3.2Å
3779L59.5Low62.1Low3.5 Ų3.560.3 Ų60.32%0.01836%0.357CS..G310 helixtrans-62.3-22.8172.4-86.3100000112.6R3689 A3693 W3742 L3774 N3776 K3777 L3787 L3793R3689-L3779 HydrophobicContact CB-CD2 4.11Å; R3689-L3779 HydrophobicContact CB-CG 4.49Å; R3689-L3779 VanDerWaalsContact CD-O 3.26Å; R3689-L3779 WeakPolarHBondContact CD-O 3.29Å; R3689-L3779 HydrophobicContact CG-CD2 4.4Å; R3689-L3779 VanDerWaalsContact NH1-C 3.32Å; R3689-L3779 PolarHBondContact NH1-O 3.31Å; A3693-L3779 HydrophobicContact CB-CD2 4.12Å; W3742-L3779 HydrophobicContact CE3-CB 4.43Å; W3742-L3779 HydrophobicContact CH2-CB 4.05Å; W3742-L3779 HydrophobicContact CH2-CD2 4.11Å; W3742-L3779 HydrophobicContact CZ2-CB 4.22Å; W3742-L3779 HydrophobicContact CZ3-CB 3.93Å; W3742-L3779 HydrophobicContact CZ3-CD1 4.39Å; W3742-L3779 HydrophobicContact CZ3-CD2 4.09Å; W3742-L3779 HydrophobicContact CZ3-CG 4.4Å; L3774-L3779 WeakPolarHBondContact O-CD1 3.37Å; N3776-L3779 HydrophobicContact CB-CD1 4.45Å; N3776-L3779 WeakPolarHBondContact O-CD1 3.23Å; N3776-L3779 PolarHBondContact O-N 2.97Å; N3776-L3779 PolarHBondContact OD1-N 3.22Å; K3777-L3779 VanDerWaalsContact C-N 3.31Å; K3777-L3779 PolarHBondContact O-N 3.44Å; L3779-L3787 HydrophobicContact CD1-CD2 3.84Å; L3779-L3793 HydrophobicContact CD2-CD1 3.91Å; L3779-L3793 HydrophobicContact CD2-CD2 4.01Å; L3779-L3793 HydrophobicContact CG-CD1 3.95Å
3780A54.3Low60.3Low47.5 Ų47.566.7 Ų66.739%0.39338%0.383SS..G310 helixtrans-74.7-24.6172.200000113.5K3777 N3778 S3796 N3797 L3798K3777-A3780 WeakPolarHBondContact O-CB 3.34Å; K3777-A3780 PolarHBondContact O-N 3.38Å; N3778-A3780 PolarHBondContact O-N 3.37Å; A3780-S3796 WeakPolarHBondContact O-CB 3.35Å; A3780-N3797 HydrophobicContact CB-CB 4.4Å; A3780-N3797 PolarHBondContact O-ND2 3.24Å; A3780-L3798 HydrophobicContact CB-CD2 3.65Å
3781S55.7Low58.2Low39.5 Ų39.569.5 Ų69.528%0.27640%0.398SS..SBendtrans-91.6140.7-171.969.90000112.7R3689 N3778 V3783R3689-S3781 PolarHBondContact NH1-O 3.06Å; R3689-S3781 PolarHBondContact NH2-O 2.92Å; N3778-S3781 PolarHBondContact O-N 3.05Å; N3778-S3781 PolarHBondContact O-OG 3.2Å; S3781-V3783 PolarHBondContact O-N 2.91Å
3782D50Low55.9Low109.5 Ų109.573.6 Ų73.659%0.58643%0.431SS*.  trans-74.27177-79.4-22.9000114.2R3689 P3784 R3795 S3796R3689-D3782 IonicContact CZ-OD1 3.43Å; R3689-D3782 IonicContact NH1-OD1 3.64Å; R3689-D3782 IonicContact NH2-OD1 3.24Å; R3689-D3782 PolarHBondContact NH2-OD1 3.33Å; D3782-P3784 WeakPolarHBondContact O-CD 3.48Å; D3782-R3795 HydrophobicContact CB-CG 4.26Å; D3782-R3795 PolarHBondContact O-NE 2.82Å; D3782-R3795 PolarHBondContact O-NH2 2.69Å; D3782-R3795 WeakPolarHBondContact OD1-CB 3.45Å; D3782-S3796 WeakPolarHBondContact OD1-CB 3.47Å; D3782-S3796 PolarHBondContact OD1-OG 3.08Å
3783V48.2Very low54Low89.5 Ų89.574 Ų7454%0.54243%0.428SS..  trans-77.5126.2177.6-171.80000109.4S3781 N3785S3781-V3783 PolarHBondContact O-N 2.91Å; V3783-N3785 VanDerWaalsContact C-N 3.26Å; V3783-N3785 HydrophobicContact CG1-CB 4.48Å; V3783-N3785 PolarHBondContact O-N 3.41Å
3784P40.4Very low52.1Low109.5 Ų109.572.9 Ų72.971%0.71143%0.427SS*.  trans-74.141.8-176.47.4-2.5000114.1D3782D3782-P3784 WeakPolarHBondContact O-CD 3.48Å
3785N44.2Very low50.2Low103.5 Ų103.580.8 Ų80.855%0.55346%0.456SS*.PPolyproline II helixtrans-99.8133.4-177.2-76.3-16.2000112.2V3783V3783-N3785 VanDerWaalsContact C-N 3.26Å; V3783-N3785 HydrophobicContact CG1-CB 4.48Å; V3783-N3785 PolarHBondContact O-N 3.41Å
3786A46.4Very low48.5Very low62.5 Ų62.581.6 Ų81.652%0.51746%0.463SS..PPolyproline II helixtrans-4.193.5174.600000115.8L3788 G3789 L3791A3786-L3788 PolarHBondContact O-N 2.88Å; A3786-G3789 PolarHBondContact O-N 2.63Å; A3786-L3791 CarbonylContact C-O 3.23Å; A3786-L3791 WeakPolarHBondContact CA-O 3.49Å
3787L48.1Very low46.7Very low44.5 Ų44.583.4 Ų83.423%0.23347%0.472CS..BIsolated β-bridgetrans-67.866.9162.8-87.2170.4000111.7L3696 L3774 L3779 G3789 K3790 L3791 L3793L3696-L3787 HydrophobicContact CD2-CD1 4.14Å; L3774-L3787 HydrophobicContact CD2-CD1 4.16Å; L3774-L3787 HydrophobicContact CD2-CD2 4.42Å; L3779-L3787 HydrophobicContact CD1-CD2 3.84Å; L3787-G3789 PolarHBondContact O-N 2.7Å; L3787-K3790 PolarHBondContact O-N 2.76Å; L3787-L3791 HydrophobicContact CB-CB 4.48Å; L3787-L3791 PolarHBondContact N-O 3.04Å; L3787-L3791 PolarHBondContact O-N 2.97Å; L3787-L3793 HydrophobicContact CD1-CD2 3.81Å; L3787-L3793 HydrophobicContact CD1-CG 4.49Å; L3787-L3793 HydrophobicContact CD2-CD1 4.42Å; L3787-L3793 HydrophobicContact CG-CD1 4.01Å; L3787-L3793 HydrophobicContact CG-CD2 4.01Å; L3787-L3793 HydrophobicContact CG-CG 4.15Å
3788L47.2Very low45.2Very low117 Ų11780.3 Ų80.361%0.61346%0.463SS*.THydrogen-bonded Turntrans13857.5-177.4-70.6159.9000111.4A3786 K3790A3786-L3788 PolarHBondContact O-N 2.88Å; L3788-K3790 PolarHBondContact O-N 2.89Å
3789G44.5Very low43.8Very low57.5 Ų57.580.4 Ų80.459%0.59346%0.46SS*.THydrogen-bonded Turntrans-0.182.4168.600000112.9A3786 L3787 L3791A3786-G3789 PolarHBondContact O-N 2.63Å; L3787-G3789 PolarHBondContact O-N 2.7Å; G3789-L3791 VanDerWaalsContact C-N 3.32Å; G3789-L3791 PolarHBondContact O-N 3.22Å
3790K47.2Very low42.3Very low188.5 Ų188.585.5 Ų85.582%0.8248%0.484SS*.THydrogen-bonded Turntrans-97.232.3-174-67.6-177.8177.1-178.50115.5L3787 L3788 A3792L3787-K3790 PolarHBondContact O-N 2.76Å; L3788-K3790 PolarHBondContact O-N 2.89Å; K3790-A3792 PolarHBondContact O-N 3.5Å
3791L41.8Very low41.1Very low69 Ų6983.8 Ų83.836%0.36147%0.471SS..BIsolated β-bridgetrans-99.2116.8174.7-88.8114.3000111.6F3692 I3700 L3770 E3773 A3786 L3787 G3789F3692-L3791 HydrophobicContact CZ-CD2 4.36Å; I3700-L3791 HydrophobicContact CD1-CD2 4.5Å; L3770-L3791 HydrophobicContact CD2-CD2 3.66Å; E3773-L3791 WeakPolarHBondContact OE2-CD1 3.48Å; A3786-L3791 CarbonylContact C-O 3.23Å; A3786-L3791 WeakPolarHBondContact CA-O 3.49Å; L3787-L3791 HydrophobicContact CB-CB 4.48Å; L3787-L3791 PolarHBondContact N-O 3.04Å; L3787-L3791 PolarHBondContact O-N 2.97Å; G3789-L3791 VanDerWaalsContact C-N 3.32Å; G3789-L3791 PolarHBondContact O-N 3.22Å
3792A37.7Very low39.6Very low85 Ų8586.8 Ų86.870%0.70248%0.479SS*.PPolyproline II helixtrans-87.1144.5178.400000112.7K3790K3790-A3792 PolarHBondContact O-N 3.5Å
3793L41.9Very low38.4Very low50.5 Ų50.589.2 Ų89.226%0.26449%0.487SS..PPolyproline II helixtrans-104.4129.2-178.8-72.7170.8000112.6R3689 F3692 Y3707 L3779 L3787R3689-L3793 PolarHBondContact NH2-O 3.26Å; F3692-L3793 HydrophobicContact CD1-CD2 4.49Å; Y3707-L3793 HydrophobicContact CE2-CB 4.27Å; Y3707-L3793 HydrophobicContact CE2-CD1 4.38Å; Y3707-L3793 HydrophobicContact CE2-CD2 3.98Å; Y3707-L3793 HydrophobicContact CE2-CG 4.45Å; L3779-L3793 HydrophobicContact CD2-CD1 3.91Å; L3779-L3793 HydrophobicContact CD2-CD2 4.01Å; L3779-L3793 HydrophobicContact CG-CD1 3.95Å; L3787-L3793 HydrophobicContact CD1-CD2 3.81Å; L3787-L3793 HydrophobicContact CD1-CG 4.49Å; L3787-L3793 HydrophobicContact CD2-CD1 4.42Å; L3787-L3793 HydrophobicContact CG-CD1 4.01Å; L3787-L3793 HydrophobicContact CG-CD2 4.01Å; L3787-L3793 HydrophobicContact CG-CG 4.15Å
3794P40.2Very low37.2Very low49 Ų4992.1 Ų92.132%0.31850%0.498SS..  trans-70.2148.5175.529-33.1000112.1T3685 I3688 R3689 Y3707 Q3710T3685-P3794 HydrophobicContact CG2-CB 4.45Å; I3688-P3794 HydrophobicContact CG2-CG 4.13Å; R3689-P3794 VanDerWaalsContact CD-O 3.23Å; R3689-P3794 WeakPolarHBondContact CD-O 3.43Å; R3689-P3794 WeakPolarHBondContact CG-O 3.42Å; R3689-P3794 PolarHBondContact NE-O 3.31Å; Y3707-P3794 VanDerWaalsContact CD1-O 3.22Å; Y3707-P3794 WeakPolarHBondContact CD1-O 3.4Å; Y3707-P3794 WeakPolarHBondContact CE1-O 3.34Å; Y3707-P3794 HydrophobicContact CG-CG 4.41Å; Q3710-P3794 HydrophobicContact CB-CB 4.42Å
3795R38.3Very low36.4Very low170.5 Ų170.591 Ų9164%0.64349%0.493SS*.  trans-113.1101.8-163.9-71.1-177.7175161.5-0.9116.6T3685 D3782T3685-R3795 WeakPolarHBondContact CB-O 3.23Å; T3685-R3795 PolarHBondContact OG1-O 3.48Å; D3782-R3795 HydrophobicContact CB-CG 4.26Å; D3782-R3795 PolarHBondContact O-NE 2.82Å; D3782-R3795 PolarHBondContact O-NH2 2.69Å; D3782-R3795 WeakPolarHBondContact OD1-CB 3.45Å
3796S39.7Very low35.5Very low24.5 Ų24.594.6 Ų94.617%0.17150%0.504CS..  trans123.8144.2149.5111.30000118.9T3685 S3686 A3780 D3782T3685-S3796 CarbonylContact C-O 3.23Å; S3686-S3796 WeakPolarHBondContact CA-O 3.37Å; S3686-S3796 VanDerWaalsContact N-C 3.31Å; S3686-S3796 PolarHBondContact N-O 3.25Å; S3686-S3796 VanDerWaalsContact OG-C 3.23Å; S3686-S3796 PolarHBondContact OG-O 3.43Å; A3780-S3796 WeakPolarHBondContact O-CB 3.35Å; D3782-S3796 WeakPolarHBondContact OD1-CB 3.47Å; D3782-S3796 PolarHBondContact OD1-OG 3.08Å
3797N31.6Very low34.4Very low81 Ų8198.7 Ų98.743%0.43352%0.516SS..  -165.1132.575.4195.7000111.2S3686 K3737 A3780S3686-N3797 VanDerWaalsContact CB-C 3.44Å; S3686-N3797 VanDerWaalsContact CB-CA 3.47Å; S3686-N3797 PolarHBondContact OG-N 3.25Å; S3686-N3797 PolarHBondContact OG-O 3.39Å; K3737-N3797 VanDerWaalsContact CD-O 3.22Å; K3737-N3797 WeakPolarHBondContact CD-O 3.26Å; K3737-N3797 WeakPolarHBondContact CE-O 3.39Å; K3737-N3797 WeakPolarHBondContact CG-O 3.26Å; K3737-N3797 PolarHBondContact NZ-O 3.07Å; K3737-N3797 PolarHBondContact NZ-OD1 3.29Å; A3780-N3797 HydrophobicContact CB-CB 4.4Å; A3780-N3797 PolarHBondContact O-ND2 3.24Å
3798L31.4Very low33.3Very low94.5 Ų94.5107 Ų10750%0.49554%0.544SS..  trans141.1127.3148.2-75.4166.1000119.5L3734 K3737 W3742 A3780L3734-L3798 CarbonylContact C-O 3.32Å; K3737-L3798 VanDerWaalsContact CA-CB 3.45Å; K3737-L3798 VanDerWaalsContact CA-O 3.32Å; K3737-L3798 WeakPolarHBondContact CA-O 3.13Å; K3737-L3798 HydrophobicContact CB-CB 3.96Å; K3737-L3798 HydrophobicContact CB-CD1 4.33Å; K3737-L3798 HydrophobicContact CG-CB 4.12Å; K3737-L3798 PolarHBondContact N-O 3.14Å; W3742-L3798 VanDerWaalsContact NE1-CA 3.25Å; A3780-L3798 HydrophobicContact CB-CD2 3.65Å
3799H30.7Very low32.3Very low91 Ų91106.8 Ų106.842%0.42155%0.551SS.*  trans153.40148.7-69.5-49.1000119.6W3733 L3734 N3736 T3738 E3739 E3740 S3741 W3742W3733-H3799 CarbonylContact O-C 3.47Å; L3734-H3799 VanDerWaalsContact CD2-N 3.34Å; N3736-H3799 WeakPolarHBondContact CB-O 3.22Å; T3738-H3799 VanDerWaalsContact N-CB 3.34Å; T3738-H3799 PolarHBondContact O-CD2 3.07Å; T3738-H3799 WeakPolarHBondContact OG1-CB 3.3Å; E3739-H3799 VanDerWaalsContact C-ND1 3.34Å; E3739-H3799 VanDerWaalsContact C-NE2 3.31Å; E3739-H3799 WeakPolarHBondContact CA-CD2 3.23Å; E3739-H3799 VanDerWaalsContact CA-NE2 3.29Å; E3739-H3799 WeakPolarHBondContact CA-NE2 2.98Å; E3739-H3799 PolarHBondContact N-CD2 3.35Å; E3739-H3799 PolarHBondContact O-CE1 3.09Å; E3740-H3799 PolarHBondContact N-CE1 2.8Å; E3740-H3799 VanDerWaalsContact N-CE1 3.25Å; E3740-H3799 PolarHBondContact N-ND1 3.13Å; S3741-H3799 WeakPolarHBondContact CA-ND1 3.28Å; S3741-H3799 WeakPolarHBondContact CB-ND1 3.28Å; S3741-H3799 PolarHBondContact N-CE1 3.01Å; S3741-H3799 PolarHBondContact N-ND1 3.31Å; S3741-H3799 WeakPolarHBondContact OG-CA 3.42Å; S3741-H3799 WeakPolarHBondContact OG-CB 3.48Å; S3741-H3799 PolarHBondContact OG-ND1 3.34Å; W3742-H3799 AromaticContact CD1-CE1 3.61Å; W3742-H3799 AromaticContact CD1-ND1 3.98Å; W3742-H3799 AromaticContact CD1-NE2 3.66Å; W3742-H3799 PolarHBondContact N-CE1 3.26Å; W3742-H3799 PolarHBondContact N-ND1 3.07Å
3800E29.6Very low32.3Very low112.5 Ų112.5109.3 Ų109.353%0.52656%0.557SS.*  000-128.3-173.3-144.600117.7E3740 S3741 F3744 K3802E3740-E3800 WeakPolarHBondContact CB-OE1 3.34Å; S3741-E3800 VanDerWaalsContact CB-CB 3.41Å; S3741-E3800 WeakPolarHBondContact CB-O 3.43Å; S3741-E3800 WeakPolarHBondContact OG-CA 3.32Å; S3741-E3800 WeakPolarHBondContact OG-CB 3.4Å; S3741-E3800 PolarHBondContact OG-N 2.87Å; F3744-E3800 VanDerWaalsContact CB-C 3.43Å; F3744-E3800 WeakPolarHBondContact CB-O 3.24Å; F3744-E3800 WeakPolarHBondContact CD1-O 3.09Å; F3744-E3800 VanDerWaalsContact CG-O 3.24Å; F3744-E3800 WeakPolarHBondContact CG-O 3.4Å; E3800-K3802 IonicContact OE1-NZ 2.68Å; E3800-K3802 PolarHBondContact OE1-NZ 3.08Å; E3800-K3802 IonicContact OE2-NZ 2.75Å
3801G27.5Very low31.3Very low11 Ų11108.2 Ų108.211%0.11356%0.557CS.*  00000000123.6F3744F3744-G3801 WeakPolarHBondContact CA-O 3.31Å; F3744-G3801 WeakPolarHBondContact CB-O 3.08Å
3802K25Very low30.6Very low103 Ų103111.7 Ų111.745%0.44858%0.576SS.*  000-56.694.9-173.5-174.50117.8E3747 E3800E3747-K3802 WeakPolarHBondContact OE2-CA 3.36Å; E3800-K3802 IonicContact OE1-NZ 2.68Å; E3800-K3802 PolarHBondContact OE1-NZ 3.08Å; E3800-K3802 IonicContact OE2-NZ 2.75Å
3803Q24Very low30.2Very low160 Ų160112.6 Ų112.675%0.74858%0.583SS**  000-140.6-172.937.800119.8
3804I23.3Very low29.7Very low150 Ų150117.3 Ų117.377%0.76961%0.614SS**  0151.10-75.6168.2000130.7
3805S24.5Very low29.2Very low87 Ų87120.4 Ų120.461%0.60864%0.637SS**  trans-85.60-160.667.60000129.7
3806K25.1Very low29Very low179 Ų179123.7 Ų123.778%0.77865%0.65SS**  0148.70-101.5170-176.61700126.2
3807L23.3Very low29Very low148 Ų148132 Ų13278%0.77568%0.682SS**  trans71.9164.1147-64.7164.1000123.7
3808R25.5Very low30Very low219 Ų219138.4 Ų138.483%0.82671%0.706SS**  cis-176.7167.1-32.8-164.2-174.1-177.8-177.13.5113
3809C25.3Very low31.8Very low112 Ų112138.2 Ų138.276%0.75771%0.705SS**  trans120.5162.4146.4-75.70000122.5
3810P45.8Very low34.1Very low111 Ų111135 Ų13572%0.72169%0.693SS**  trans-130.3-168.9-153.447.2-33.4000117.8
3811M25.5Very low36.8Very low164 Ų164130.5 Ų130.581%0.80867%0.674SS**  trans176.8172.1135.5-93-49.5-73.400115.5
3812D27.1Very low39.6Very low144 Ų144130 Ų13077%0.7767%0.669SS**  trans-93.3169.7-164.6-56-70.4000119.3
3813A29.4Very low42.4Very low103 Ų103128.7 Ų128.785%0.85166%0.664SS**  trans-155.5156.3159.900000113.7
3814T30.1Very low45.3Very low150 Ų150123.5 Ų123.592%0.9264%0.643SS**  trans-111.7166.1-166.650.10000117.2
3815S31Very low48.4Very low114 Ų114116.7 Ų116.780%0.79761%0.608SS**  trans-80.3137.2-169.1178.20000116.9
3816R32.7Very low51.3Low240 Ų240112.5 Ų112.591%0.90658%0.579SS**SBendtrans-154.4150.1142.5-103.1170.1-172.9-175.82.3108.6
3817K41.1Very low54.2Low197 Ų197108.3 Ų108.386%0.85757%0.565SS**SBendtrans10.3107.6-177.8-74.5-171.8176-176.50116L3819K3817-L3819 PolarHBondContact O-N 3.25Å
3818K51.8Low57.2Low216 Ų216107.5 Ų107.594%0.93956%0.555SS**  trans-57.686.2-178.7-67.5-175.5176.1-176.40113.8
3819L69Low60.3Low91 Ų9197 Ų9748%0.47652%0.515SS..  trans-64.3157.9148.1-67.7163.9000108.9K3817 E3823 L3827K3817-L3819 PolarHBondContact O-N 3.25Å; L3819-E3823 VanDerWaalsContact CA-OE2 3.31Å; L3819-E3823 WeakPolarHBondContact CA-OE2 3.4Å; L3819-E3823 HydrophobicContact CB-CB 4.12Å; L3819-E3823 HydrophobicContact CD2-CB 4.28Å; L3819-E3823 WeakPolarHBondContact CD2-OE2 3.48Å; L3819-L3827 HydrophobicContact CD1-CD1 3.92Å
3820S80.3Confident63.1Low24 Ų2494.6 Ų94.617%0.16849%0.493CS..  trans-68.6157.8168.576.20000111.3I3822 E3823 T3824 Q3936S3820-I3822 PolarHBondContact O-N 3.13Å; S3820-E3823 WeakPolarHBondContact CB-OE1 3.44Å; S3820-E3823 VanDerWaalsContact N-CD 3.35Å; S3820-E3823 PolarHBondContact N-OE2 3.13Å; S3820-E3823 PolarHBondContact O-N 3.36Å; S3820-E3823 WeakPolarHBondContact OG-CG 3.5Å; S3820-E3823 PolarHBondContact OG-N 2.82Å; S3820-E3823 PolarHBondContact OG-OE1 3.44Å; S3820-T3824 WeakPolarHBondContact O-CB 3.4Å; S3820-T3824 PolarHBondContact O-N 2.89Å; S3820-T3824 PolarHBondContact O-OG1 3Å; S3820-Q3936 VanDerWaalsContact CB-OE1 3.3Å; S3820-Q3936 PolarHBondContact OG-OE1 2.97Å
3821P85.6Confident65Low18 Ų1892.7 Ų92.712%0.11748%0.482CS..Hα-helixtrans-55.5-36174.8-28.336.5000113T3824 F3825 S3932 Q3935 Q3936 L3939P3821-T3824 WeakPolarHBondContact O-CB 3.45Å; P3821-T3824 PolarHBondContact O-N 3.45Å; P3821-F3825 PolarHBondContact O-N 3.49Å; P3821-S3932 WeakPolarHBondContact CB-O 3.05Å; P3821-Q3935 HydrophobicContact CB-CB 4.01Å; P3821-Q3935 HydrophobicContact CG-CB 4.02Å; P3821-Q3936 HydrophobicContact CB-CB 4.29Å; P3821-Q3936 HydrophobicContact CG-CB 4.09Å; P3821-L3939 HydrophobicContact CG-CD1 3.86Å
3822I86.8Confident68Low1 Ų185.4 Ų85.41%0.00545%0.446CS..Hα-helixtrans-76.3-38.5-179.2-65.5173.1000112.1S3820 T3824 F3825 A3826 W3904 L3913 L3914 F3933 Q3936S3820-I3822 PolarHBondContact O-N 3.13Å; I3822-T3824 VanDerWaalsContact C-N 3.26Å; I3822-T3824 PolarHBondContact O-N 2.78Å; I3822-F3825 PolarHBondContact O-N 2.84Å; I3822-A3826 WeakPolarHBondContact O-CB 3.41Å; I3822-A3826 PolarHBondContact O-N 3.44Å; I3822-W3904 HydrophobicContact CG2-CH2 3.85Å; I3822-W3904 HydrophobicContact CG2-CZ2 4.32Å; I3822-L3913 HydrophobicContact CG2-CB 4.22Å; I3822-L3913 HydrophobicContact CG2-CD1 4.08Å; I3822-L3914 HydrophobicContact CD1-CD1 3.54Å; I3822-L3914 HydrophobicContact CD1-CD2 3.67Å; I3822-L3914 HydrophobicContact CD1-CG 3.67Å; I3822-F3933 HydrophobicContact CD1-CB 4.27Å; I3822-F3933 HydrophobicContact CD1-CD2 4.24Å; I3822-Q3936 VanDerWaalsContact CB-OE1 3.31Å; I3822-Q3936 HydrophobicContact CD1-CB 4.28Å; I3822-Q3936 HydrophobicContact CD1-CG 4.47Å; I3822-Q3936 HydrophobicContact CG1-CB 4.41Å; I3822-Q3936 VanDerWaalsContact CG1-OE1 3.23Å
3823E83.1Confident70.9Confident75 Ų7578.7 Ų78.735%0.3541%0.411SS..Hα-helixtrans-57.6-43.1168.2-73.8144.6-126.900111L3819 S3820 F3825 A3826 L3827 L3913L3819-E3823 VanDerWaalsContact CA-OE2 3.31Å; L3819-E3823 WeakPolarHBondContact CA-OE2 3.4Å; L3819-E3823 HydrophobicContact CB-CB 4.12Å; L3819-E3823 HydrophobicContact CD2-CB 4.28Å; L3819-E3823 WeakPolarHBondContact CD2-OE2 3.48Å; S3820-E3823 WeakPolarHBondContact CB-OE1 3.44Å; S3820-E3823 VanDerWaalsContact N-CD 3.35Å; S3820-E3823 PolarHBondContact N-OE2 3.13Å; S3820-E3823 PolarHBondContact O-N 3.36Å; S3820-E3823 WeakPolarHBondContact OG-CG 3.5Å; S3820-E3823 PolarHBondContact OG-N 2.82Å; S3820-E3823 PolarHBondContact OG-OE1 3.44Å; E3823-F3825 VanDerWaalsContact C-N 3.34Å; E3823-F3825 PolarHBondContact O-N 3.14Å; E3823-A3826 PolarHBondContact O-N 2.87Å; E3823-L3827 WeakPolarHBondContact O-CG 3.3Å; E3823-L3827 PolarHBondContact O-N 3.37Å; E3823-L3913 HydrophobicContact CG-CD1 4.14Å
3824T85.1Confident73.5Confident50 Ų5077.2 Ų77.231%0.30739%0.391SS..Hα-helixtrans-65.1-37.3179-54.20000111.9S3820 P3821 I3822 K3828S3820-T3824 WeakPolarHBondContact O-CB 3.4Å; S3820-T3824 PolarHBondContact O-N 2.89Å; S3820-T3824 PolarHBondContact O-OG1 3Å; P3821-T3824 WeakPolarHBondContact O-CB 3.45Å; P3821-T3824 PolarHBondContact O-N 3.45Å; I3822-T3824 VanDerWaalsContact C-N 3.26Å; I3822-T3824 PolarHBondContact O-N 2.78Å; T3824-K3828 WeakPolarHBondContact O-CB 3.34Å; T3824-K3828 VanDerWaalsContact O-CG 3.27Å; T3824-K3828 WeakPolarHBondContact O-CG 3.41Å; T3824-K3828 PolarHBondContact O-N 3.5Å
3825F89.1Confident76.2Confident7 Ų774.9 Ų74.93%0.03137%0.37CS..Hα-helixtrans-66.1-51.4171.3162.7-99.6000111.7P3821 I3822 E3823 L3827 K3828 E3829 W3904 F3923 A3928 F3929 S3932P3821-F3825 PolarHBondContact O-N 3.49Å; I3822-F3825 PolarHBondContact O-N 2.84Å; E3823-F3825 VanDerWaalsContact C-N 3.34Å; E3823-F3825 PolarHBondContact O-N 3.14Å; F3825-L3827 VanDerWaalsContact C-N 3.32Å; F3825-L3827 PolarHBondContact O-N 3.49Å; F3825-K3828 CarbonylContact O-C 3.52Å; F3825-K3828 WeakPolarHBondContact O-CA 3.42Å; F3825-K3828 WeakPolarHBondContact O-CB 3.37Å; F3825-K3828 PolarHBondContact O-N 3.05Å; F3825-E3829 HydrophobicContact CE2-CB 4.28Å; F3825-E3829 HydrophobicContact CE2-CG 4.29Å; F3825-E3829 HydrophobicContact CZ-CB 4.1Å; F3825-E3829 HydrophobicContact CZ-CG 3.94Å; F3825-E3829 PolarHBondContact O-N 2.95Å; F3825-W3904 HydrophobicContact CD1-CZ3 4.49Å; F3825-W3904 HydrophobicContact CE1-CZ3 4.3Å; F3825-F3923 AromaticContact CE1-CD1 3.72Å; F3825-F3923 HydrophobicContact CE1-CD1 3.72Å; F3825-F3923 HydrophobicContact CE1-CD2 4.33Å; F3825-F3923 AromaticContact CE1-CE1 3.65Å; F3825-F3923 HydrophobicContact CE1-CE1 3.65Å; F3825-F3923 HydrophobicContact CE1-CE2 4.25Å; F3825-F3923 HydrophobicContact CE1-CG 4.08Å; F3825-F3923 AromaticContact CE1-CZ 3.92Å; F3825-F3923 HydrophobicContact CE1-CZ 3.92Å; F3825-F3923 HydrophobicContact CZ-CB 4.17Å; F3825-F3923 AromaticContact CZ-CD1 3.7Å; F3825-F3923 HydrophobicContact CZ-CD1 3.7Å; F3825-F3923 HydrophobicContact CZ-CD2 4.25Å; F3825-F3923 HydrophobicContact CZ-CE1 4.14Å; F3825-F3923 AromaticContact CZ-CG 3.77Å; F3825-F3923 HydrophobicContact CZ-CG 3.77Å; F3825-A3928 HydrophobicContact CD2-CB 3.84Å; F3825-A3928 HydrophobicContact CE2-CB 3.88Å; F3825-F3929 HydrophobicContact CD1-CB 4.18Å; F3825-F3929 AromaticContact CD1-CD2 3.98Å; F3825-F3929 HydrophobicContact CD1-CD2 3.98Å; F3825-F3929 HydrophobicContact CE1-CB 3.67Å; F3825-F3929 AromaticContact CE1-CD2 3.8Å; F3825-F3929 HydrophobicContact CE1-CD2 3.8Å; F3825-F3929 HydrophobicContact CE1-CG 4.2Å; F3825-F3929 HydrophobicContact CE2-CB 4.12Å; F3825-F3929 HydrophobicContact CZ-CB 3.65Å; F3825-S3932 WeakPolarHBondContact CB-OG 3.36Å
3826A85.5Confident78.9Confident0 Ų069.4 Ų69.40%033%0.332CS..Hα-helixtrans-59.3-41.9-175.100000112I3822 E3823 E3829 H3830 W3904 L3905I3822-A3826 WeakPolarHBondContact O-CB 3.41Å; I3822-A3826 PolarHBondContact O-N 3.44Å; E3823-A3826 PolarHBondContact O-N 2.87Å; A3826-E3829 PolarHBondContact O-N 3.08Å; A3826-H3830 PolarHBondContact O-N 2.95Å; A3826-W3904 HydrophobicContact CB-CE3 4.27Å; A3826-W3904 HydrophobicContact CB-CH2 4.36Å; A3826-W3904 HydrophobicContact CB-CZ3 3.61Å; A3826-L3905 HydrophobicContact CB-CD2 3.54Å; A3826-L3905 HydrophobicContact CB-CG 4.08Å
3827L84.4Confident81.6Confident91 Ų9160 Ų6048%0.47631%0.305SS..Hα-helixtrans-64.5-40.5173.5-69.1171.6000112.9L3819 E3823 F3825 E3829 S3831L3819-L3827 HydrophobicContact CD1-CD1 3.92Å; E3823-L3827 WeakPolarHBondContact O-CG 3.3Å; E3823-L3827 PolarHBondContact O-N 3.37Å; F3825-L3827 VanDerWaalsContact C-N 3.32Å; F3825-L3827 PolarHBondContact O-N 3.49Å; L3827-E3829 VanDerWaalsContact C-N 3.26Å; L3827-E3829 PolarHBondContact O-N 2.88Å; L3827-S3831 VanDerWaalsContact O-CB 3.32Å; L3827-S3831 WeakPolarHBondContact O-CB 3.2Å; L3827-S3831 PolarHBondContact O-N 3.23Å
3828K87Confident83.8Confident130 Ų13054.4 Ų54.457%0.56529%0.29SS*.Hα-helixtrans-66.1-28.6174.2-77.5175.3178-177.90112.7T3824 F3825 L3832 R3925T3824-K3828 WeakPolarHBondContact O-CB 3.34Å; T3824-K3828 VanDerWaalsContact O-CG 3.27Å; T3824-K3828 WeakPolarHBondContact O-CG 3.41Å; T3824-K3828 PolarHBondContact O-N 3.5Å; F3825-K3828 CarbonylContact O-C 3.52Å; F3825-K3828 WeakPolarHBondContact O-CA 3.42Å; F3825-K3828 WeakPolarHBondContact O-CB 3.37Å; F3825-K3828 PolarHBondContact O-N 3.05Å; K3828-L3832 PolarHBondContact O-N 3.46Å; K3828-L3832 VanDerWaalsContact O-N 3.17Å; K3828-R3925 VanDerWaalsContact C-NH2 3.31Å; K3828-R3925 PolarHBondContact O-NH2 2.75Å
3829E89.7Confident85.5Confident0 Ų046.2 Ų46.20%026%0.258CS..Hα-helixtrans-79.7-43.9-179.7-155.277.8153.700111.7F3825 A3826 L3827 S3831 L3832 A3833 I3901 F3923 F3924 R3925F3825-E3829 HydrophobicContact CE2-CB 4.28Å; F3825-E3829 HydrophobicContact CE2-CG 4.29Å; F3825-E3829 HydrophobicContact CZ-CB 4.1Å; F3825-E3829 HydrophobicContact CZ-CG 3.94Å; F3825-E3829 PolarHBondContact O-N 2.95Å; A3826-E3829 PolarHBondContact O-N 3.08Å; L3827-E3829 VanDerWaalsContact C-N 3.26Å; L3827-E3829 PolarHBondContact O-N 2.88Å; E3829-S3831 VanDerWaalsContact C-N 3.31Å; E3829-S3831 PolarHBondContact O-N 2.63Å; E3829-L3832 WeakPolarHBondContact O-CB 3.15Å; E3829-L3832 PolarHBondContact O-N 3.2Å; E3829-L3832 VanDerWaalsContact O-N 3.12Å; E3829-A3833 PolarHBondContact O-N 2.75Å; E3829-I3901 HydrophobicContact CG-CD1 3.68Å; E3829-I3901 HydrophobicContact CG-CG1 4.43Å; E3829-F3923 HydrophobicContact CG-CD1 4.37Å; E3829-F3924 HydrophobicContact CG-CD2 4.37Å; E3829-F3924 WeakPolarHBondContact OE1-CA 3.48Å; E3829-F3924 PolarHBondContact OE1-N 3.14Å; E3829-R3925 PolarHBondContact OE1-N 2.85Å; E3829-R3925 IonicContact OE2-CZ 3.94Å; E3829-R3925 IonicContact OE2-NE 2.6Å; E3829-R3925 PolarHBondContact OE2-NE 3.21Å; E3829-R3925 IonicContact OE2-NH2 2.64Å; E3829-R3925 PolarHBondContact OE2-NH2 2.77Å
3830H85.1Confident86.5Confident61 Ų6142.4 Ų42.428%0.28224%0.238SC..Hα-helixtrans-62.4-38.3169.9-178.969.7000111.8A3826 L3832 A3833 V3834 I3901 Y3902 L3905A3826-H3830 PolarHBondContact O-N 2.95Å; H3830-L3832 VanDerWaalsContact C-N 3.28Å; H3830-L3832 PolarHBondContact O-N 2.82Å; H3830-A3833 WeakPolarHBondContact O-CB 3.31Å; H3830-A3833 PolarHBondContact O-N 3.14Å; H3830-V3834 WeakPolarHBondContact O-CG2 3.31Å; H3830-V3834 PolarHBondContact O-N 2.8Å; H3830-I3901 HydrophobicContact CB-CG2 4.06Å; H3830-Y3902 AromaticContact CE1-CD2 3.84Å; H3830-L3905 HydrophobicContact CB-CD1 3.53Å
3831S86.1Confident86.9Confident70 Ų7047.5 Ų47.549%0.4926%0.259SS..Hα-helixtrans-61.8-34.2172.6-172.20000113L3827 E3829 Q3835L3827-S3831 VanDerWaalsContact O-CB 3.32Å; L3827-S3831 WeakPolarHBondContact O-CB 3.2Å; L3827-S3831 PolarHBondContact O-N 3.23Å; E3829-S3831 VanDerWaalsContact C-N 3.31Å; E3829-S3831 PolarHBondContact O-N 2.63Å; S3831-Q3835 WeakPolarHBondContact O-CB 3.49Å; S3831-Q3835 PolarHBondContact O-N 3.36Å
3832L88.7Confident86.9Confident11 Ų1148.8 Ų48.86%0.05827%0.271CS..Hα-helixtrans-70.9-42.1174.5176.659.7000111K3828 E3829 H3830 V3834 Q3835 L3836 F3924 R3925K3828-L3832 PolarHBondContact O-N 3.46Å; K3828-L3832 VanDerWaalsContact O-N 3.17Å; E3829-L3832 WeakPolarHBondContact O-CB 3.15Å; E3829-L3832 PolarHBondContact O-N 3.2Å; E3829-L3832 VanDerWaalsContact O-N 3.12Å; H3830-L3832 VanDerWaalsContact C-N 3.28Å; H3830-L3832 PolarHBondContact O-N 2.82Å; L3832-V3834 VanDerWaalsContact C-N 3.35Å; L3832-V3834 PolarHBondContact O-N 2.87Å; L3832-Q3835 PolarHBondContact O-N 2.8Å; L3832-L3836 VanDerWaalsContact O-CB 3.28Å; L3832-L3836 WeakPolarHBondContact O-CB 3.42Å; L3832-L3836 PolarHBondContact O-N 3.36Å; L3832-F3924 HydrophobicContact CD2-CB 3.88Å; L3832-F3924 HydrophobicContact CD2-CG 4.46Å; L3832-R3925 HydrophobicContact CD2-CG 4.15Å
3833A87.4Confident86.9Confident4 Ų450 Ų503%0.03328%0.277CS..Hα-helixtrans-56.3-47.5174.700000111.9E3829 H3830 L3836 A3837 M3894 F3924E3829-A3833 PolarHBondContact O-N 2.75Å; H3830-A3833 WeakPolarHBondContact O-CB 3.31Å; H3830-A3833 PolarHBondContact O-N 3.14Å; A3833-L3836 PolarHBondContact O-N 3.38Å; A3833-A3837 WeakPolarHBondContact O-CB 3.41Å; A3833-A3837 PolarHBondContact O-N 2.98Å; A3833-M3894 WeakPolarHBondContact O-CE 3.32Å; A3833-F3924 HydrophobicContact CB-CE2 3.79Å; A3833-F3924 HydrophobicContact CB-CZ 4.43Å
3834V84.1Confident87.2Confident72 Ų7249.8 Ų49.844%0.43628%0.278SS..Hα-helixtrans-65-45.1176.7174.10000111.5H3830 L3832 L3836 A3837 C3838H3830-V3834 WeakPolarHBondContact O-CG2 3.31Å; H3830-V3834 PolarHBondContact O-N 2.8Å; L3832-V3834 VanDerWaalsContact C-N 3.35Å; L3832-V3834 PolarHBondContact O-N 2.87Å; V3834-L3836 PolarHBondContact O-N 2.75Å; V3834-A3837 PolarHBondContact O-N 3.3Å; V3834-C3838 PolarHBondContact O-N 3.31Å; V3834-C3838 PolarHBondContact O-SG 3.34Å
3835Q87Confident87.3Confident100 Ų10049.3 Ų49.347%0.46728%0.275SS..Hα-helixtrans-59.5-45.3177.4-179.7178.9-7.600112S3831 L3832 C3838 V3839S3831-Q3835 WeakPolarHBondContact O-CB 3.49Å; S3831-Q3835 PolarHBondContact O-N 3.36Å; L3832-Q3835 PolarHBondContact O-N 2.8Å; Q3835-C3838 PolarHBondContact O-N 3.34Å; Q3835-V3839 PolarHBondContact O-N 3.49Å
3836L88.3Confident87.1Confident0 Ų052.3 Ų52.30%029%0.291CS..Hα-helixtrans-62.5-44.5178.2-171.569.6000110.9L3832 A3833 V3834 C3838 V3839 I3840 L3880 W3881 F3890 M3894 F3924L3832-L3836 VanDerWaalsContact O-CB 3.28Å; L3832-L3836 WeakPolarHBondContact O-CB 3.42Å; L3832-L3836 PolarHBondContact O-N 3.36Å; A3833-L3836 PolarHBondContact O-N 3.38Å; V3834-L3836 PolarHBondContact O-N 2.75Å; L3836-C3838 PolarHBondContact O-N 3.38Å; L3836-V3839 PolarHBondContact O-N 2.89Å; L3836-I3840 HydrophobicContact CD1-CD1 4.44Å; L3836-I3840 HydrophobicContact CG-CD1 3.9Å; L3836-I3840 WeakPolarHBondContact O-CB 3.44Å; L3836-I3840 WeakPolarHBondContact O-CD1 3.02Å; L3836-I3840 VanDerWaalsContact O-CG1 3.25Å; L3836-I3840 WeakPolarHBondContact O-CG1 3.48Å; L3836-I3840 PolarHBondContact O-N 2.89Å; L3836-L3880 HydrophobicContact CD1-CB 3.68Å; L3836-L3880 HydrophobicContact CD1-CD1 3.99Å; L3836-L3880 HydrophobicContact CD1-CG 4.5Å; L3836-W3881 HydrophobicContact CD2-CB 4.39Å; L3836-W3881 HydrophobicContact CD2-CE3 3.98Å; L3836-F3890 HydrophobicContact CD1-CZ 4.44Å; L3836-M3894 HydrophobicContact CB-CE 4.16Å; L3836-M3894 HydrophobicContact CD2-CE 4.14Å; L3836-M3894 HydrophobicContact CD2-CG 3.51Å; L3836-M3894 HydrophobicContact CG-CE 4.3Å; L3836-M3894 HydrophobicContact CG-CG 4.31Å; L3836-F3924 HydrophobicContact CD2-CE1 4Å; L3836-F3924 HydrophobicContact CD2-CZ 4.47Å
3837A88Confident87.1Confident43 Ų4353.4 Ų53.436%0.35530%0.296SS..Hα-helixtrans-59.9-42.6174.600000112.6A3833 V3834 H3841 M3894A3833-A3837 WeakPolarHBondContact O-CB 3.41Å; A3833-A3837 PolarHBondContact O-N 2.98Å; V3834-A3837 PolarHBondContact O-N 3.3Å; A3837-H3841 VanDerWaalsContact O-CB 3.23Å; A3837-H3841 WeakPolarHBondContact O-CB 3.35Å; A3837-H3841 PolarHBondContact O-N 2.85Å; A3837-M3894 HydrophobicContact CB-CE 3.83Å
3838C87.3Confident87Confident79 Ų7954.1 Ų54.153%0.53430%0.297SS..Hα-helixtrans-63.8-40.8177.6-71.40000112.7V3834 Q3835 L3836 A3842V3834-C3838 PolarHBondContact O-N 3.31Å; V3834-C3838 PolarHBondContact O-SG 3.34Å; Q3835-C3838 PolarHBondContact O-N 3.34Å; L3836-C3838 PolarHBondContact O-N 3.38Å; C3838-A3842 WeakPolarHBondContact O-CB 3.3Å; C3838-A3842 PolarHBondContact O-N 3.11Å
3839V87.9Confident86.9Confident43 Ų4353 Ų5326%0.26129%0.292SS..Hα-helixtrans-67.9-48.1177.4171.10000111.1Q3835 L3836 H3841 A3842 D3843 L3880Q3835-V3839 PolarHBondContact O-N 3.49Å; L3836-V3839 PolarHBondContact O-N 2.89Å; V3839-H3841 VanDerWaalsContact C-N 3.3Å; V3839-H3841 PolarHBondContact O-N 3.4Å; V3839-A3842 PolarHBondContact O-N 2.78Å; V3839-D3843 PolarHBondContact O-N 2.87Å; V3839-L3880 HydrophobicContact CB-CD1 4.17Å; V3839-L3880 HydrophobicContact CG1-CD1 4.34Å; V3839-L3880 HydrophobicContact CG2-CD1 3.95Å
3840I90Very high86.5Confident12 Ų1253.5 Ų53.56%0.06230%0.297CS..Hα-helixtrans-56.1-46175.1-68.6163000110.8L3836 L3844 W3877 F3890 L3891 M3894L3836-I3840 HydrophobicContact CD1-CD1 4.44Å; L3836-I3840 HydrophobicContact CG-CD1 3.9Å; L3836-I3840 WeakPolarHBondContact O-CB 3.44Å; L3836-I3840 WeakPolarHBondContact O-CD1 3.02Å; L3836-I3840 VanDerWaalsContact O-CG1 3.25Å; L3836-I3840 WeakPolarHBondContact O-CG1 3.48Å; L3836-I3840 PolarHBondContact O-N 2.89Å; I3840-L3844 HydrophobicContact CG2-CD1 3.79Å; I3840-L3844 HydrophobicContact CG2-CG 4.41Å; I3840-L3844 WeakPolarHBondContact O-CB 3.48Å; I3840-L3844 VanDerWaalsContact O-CG 3.29Å; I3840-L3844 WeakPolarHBondContact O-CG 3.43Å; I3840-L3844 PolarHBondContact O-N 3.29Å; I3840-W3877 HydrophobicContact CB-CZ2 4.42Å; I3840-W3877 HydrophobicContact CG1-CD2 3.73Å; I3840-W3877 HydrophobicContact CG1-CE3 4.08Å; I3840-W3877 HydrophobicContact CG1-CG 4.03Å; I3840-W3877 HydrophobicContact CG1-CZ2 4.27Å; I3840-W3877 HydrophobicContact CG2-CH2 4.19Å; I3840-W3877 HydrophobicContact CG2-CZ2 4.17Å; I3840-F3890 HydrophobicContact CD1-CE1 4.19Å; I3840-L3891 HydrophobicContact CD1-CD2 4.01Å; I3840-L3891 HydrophobicContact CG2-CD2 3.65Å; I3840-M3894 HydrophobicContact CD1-CG 4.4Å
3841H88.2Confident86.2Confident130 Ų13057 Ų5760%0.60232%0.316SS*.Hα-helixtrans-66.5-38.1179.4-178.765.8000112.5A3837 V3839 T3845A3837-H3841 VanDerWaalsContact O-CB 3.23Å; A3837-H3841 WeakPolarHBondContact O-CB 3.35Å; A3837-H3841 PolarHBondContact O-N 2.85Å; V3839-H3841 VanDerWaalsContact C-N 3.3Å; V3839-H3841 PolarHBondContact O-N 3.4Å; H3841-T3845 WeakPolarHBondContact O-CB 3.31Å; H3841-T3845 PolarHBondContact O-N 3.35Å; H3841-T3845 PolarHBondContact O-OG1 2.86Å
3842A86.1Confident86Confident45 Ų4559.9 Ų59.937%0.37232%0.322SS..Hα-helixtrans-64.2-50.2175.200000111.4C3838 V3839 T3845 I3846C3838-A3842 WeakPolarHBondContact O-CB 3.3Å; C3838-A3842 PolarHBondContact O-N 3.11Å; V3839-A3842 PolarHBondContact O-N 2.78Å; A3842-T3845 PolarHBondContact O-N 2.92Å; A3842-I3846 VanDerWaalsContact O-CG1 3.32Å; A3842-I3846 WeakPolarHBondContact O-CG1 3.49Å; A3842-I3846 PolarHBondContact O-N 3.46Å
3843D86.9Confident85.5Confident26 Ų2664.7 Ų64.714%0.13935%0.347CS..Hα-helixtrans-59.2-51.2178.5-75.8-16.9000111V3839 T3845 I3846 I3847 S3876 W3877V3839-D3843 PolarHBondContact O-N 2.87Å; D3843-T3845 VanDerWaalsContact C-N 3.28Å; D3843-T3845 PolarHBondContact O-N 3.37Å; D3843-I3846 PolarHBondContact O-N 2.83Å; D3843-I3846 VanDerWaalsContact O-N 3.15Å; D3843-I3847 VanDerWaalsContact O-CG1 3.24Å; D3843-I3847 WeakPolarHBondContact O-CG1 3.42Å; D3843-I3847 PolarHBondContact O-N 2.85Å; D3843-S3876 PolarHBondContact OD2-OG 2.88Å; D3843-S3876 VanDerWaalsContact OD2-OG 3.13Å; D3843-W3877 HydrophobicContact CB-CZ2 4.31Å; D3843-W3877 PolarHBondContact OD2-NE1 2.67Å
3844L89.4Confident85Confident72 Ų7271.6 Ų71.638%0.37738%0.383SS..Hα-helixtrans-62.8-33177.8-68.2176.1000112.6I3840 H3848 L3868 W3877I3840-L3844 HydrophobicContact CG2-CD1 3.79Å; I3840-L3844 HydrophobicContact CG2-CG 4.41Å; I3840-L3844 WeakPolarHBondContact O-CB 3.48Å; I3840-L3844 VanDerWaalsContact O-CG 3.29Å; I3840-L3844 WeakPolarHBondContact O-CG 3.43Å; I3840-L3844 PolarHBondContact O-N 3.29Å; L3844-H3848 VanDerWaalsContact O-CB 3.26Å; L3844-H3848 WeakPolarHBondContact O-CB 3.38Å; L3844-H3848 PolarHBondContact O-N 2.82Å; L3844-L3868 HydrophobicContact CD2-CD1 4.42Å; L3844-W3877 HydrophobicContact CD2-CH2 4.34Å; L3844-W3877 HydrophobicContact CG-CH2 4.43Å; L3844-W3877 HydrophobicContact CG-CZ2 4.41Å
3845T88Confident84.6Confident40 Ų4072 Ų7225%0.24538%0.382CS..Hα-helixtrans-70.5-37.7174.6-63.70000112.2H3841 A3842 D3843 K3849H3841-T3845 WeakPolarHBondContact O-CB 3.31Å; H3841-T3845 PolarHBondContact O-N 3.35Å; H3841-T3845 PolarHBondContact O-OG1 2.86Å; A3842-T3845 PolarHBondContact O-N 2.92Å; D3843-T3845 VanDerWaalsContact C-N 3.28Å; D3843-T3845 PolarHBondContact O-N 3.37Å; T3845-K3849 HydrophobicContact CG2-CD 4.14Å; T3845-K3849 WeakPolarHBondContact O-CB 3.4Å; T3845-K3849 VanDerWaalsContact O-CG 3.28Å; T3845-K3849 WeakPolarHBondContact O-CG 3.29Å; T3845-K3849 PolarHBondContact O-N 2.71Å
3846I84.6Confident84Confident69 Ų6973.1 Ų73.135%0.35440%0.398SS..Hα-helixtrans-64.4-46.3173.5-69.5162.7000109.7A3842 D3843 K3849 A3850A3842-I3846 VanDerWaalsContact O-CG1 3.32Å; A3842-I3846 WeakPolarHBondContact O-CG1 3.49Å; A3842-I3846 PolarHBondContact O-N 3.46Å; D3843-I3846 PolarHBondContact O-N 2.83Å; D3843-I3846 VanDerWaalsContact O-N 3.15Å; I3846-K3849 PolarHBondContact O-N 2.92Å; I3846-A3850 WeakPolarHBondContact O-CB 3.35Å; I3846-A3850 PolarHBondContact O-N 3.26Å
3847I84.3Confident83.5Confident23 Ų2378.4 Ų78.412%0.11842%0.419CS..Hα-helixtrans-61.9-45.9178.3-65.8170.5000111D3843 K3849 A3850 I3851 I3865 L3868D3843-I3847 VanDerWaalsContact O-CG1 3.24Å; D3843-I3847 WeakPolarHBondContact O-CG1 3.42Å; D3843-I3847 PolarHBondContact O-N 2.85Å; I3847-K3849 VanDerWaalsContact C-N 3.35Å; I3847-K3849 PolarHBondContact O-N 3.09Å; I3847-A3850 PolarHBondContact O-N 3.06Å; I3847-I3851 HydrophobicContact CG2-CD1 3.79Å; I3847-I3851 WeakPolarHBondContact O-CG1 3.32Å; I3847-I3851 PolarHBondContact O-N 3.21Å; I3847-I3865 HydrophobicContact CD1-CG1 3.99Å; I3847-I3865 HydrophobicContact CG1-CD1 4.21Å; I3847-I3865 HydrophobicContact CG1-CG1 3.66Å; I3847-I3865 HydrophobicContact CG2-CG1 4.35Å; I3847-L3868 HydrophobicContact CD1-CD1 3.51Å
3848H83.9Confident83.1Confident106 Ų10678.5 Ų78.549%0.49142%0.424SS..Hα-helixtrans-60.7-42.4177.1-173.673.2000112.2L3844 I3851 Q3852L3844-H3848 VanDerWaalsContact O-CB 3.26Å; L3844-H3848 WeakPolarHBondContact O-CB 3.38Å; L3844-H3848 PolarHBondContact O-N 2.82Å; H3848-I3851 PolarHBondContact O-N 3.26Å; H3848-Q3852 PolarHBondContact CE1-NE2 2.85Å; H3848-Q3852 VanDerWaalsContact CE1-NE2 3.29Å; H3848-Q3852 PolarHBondContact NE2-NE2 2.96Å; H3848-Q3852 PolarHBondContact NE2-OE1 2.97Å; H3848-Q3852 WeakPolarHBondContact O-CB 3.32Å; H3848-Q3852 PolarHBondContact O-N 3.31Å
3849K83.3Confident82.7Confident106 Ų10678.9 Ų78.946%0.46143%0.428SS..Hα-helixtrans-67.8-37.9175.1-74.4172.5-179.2175.80112.8T3845 I3846 I3847 L3853T3845-K3849 HydrophobicContact CG2-CD 4.14Å; T3845-K3849 WeakPolarHBondContact O-CB 3.4Å; T3845-K3849 VanDerWaalsContact O-CG 3.28Å; T3845-K3849 WeakPolarHBondContact O-CG 3.29Å; T3845-K3849 PolarHBondContact O-N 2.71Å; I3846-K3849 PolarHBondContact O-N 2.92Å; I3847-K3849 VanDerWaalsContact C-N 3.35Å; I3847-K3849 PolarHBondContact O-N 3.09Å; K3849-L3853 WeakPolarHBondContact O-CA 3.19Å; K3849-L3853 WeakPolarHBondContact O-CB 3.03Å; K3849-L3853 PolarHBondContact O-N 2.84Å
3850A81.3Confident82.1Confident11 Ų1182.8 Ų82.89%0.09145%0.447CS..Hα-helixtrans-62.2-43.5174.100000111.2I3846 I3847 N3854 Y3857I3846-A3850 WeakPolarHBondContact O-CB 3.35Å; I3846-A3850 PolarHBondContact O-N 3.26Å; I3847-A3850 PolarHBondContact O-N 3.06Å; A3850-N3854 VanDerWaalsContact O-CA 3.22Å; A3850-N3854 WeakPolarHBondContact O-CA 3.38Å; A3850-N3854 PolarHBondContact O-N 3.01Å; A3850-N3854 VanDerWaalsContact O-N 3.09Å; A3850-Y3857 HydrophobicContact CB-CD1 3.58Å; A3850-Y3857 HydrophobicContact CB-CE1 3.99Å; A3850-Y3857 HydrophobicContact CB-CG 4.47Å
3851I79.5Confident81.6Confident136 Ų13683.2 Ų83.270%0.69745%0.451SS*.Hα-helixtrans-69.1-45.5178.8-66.9166.9000112I3847 H3848I3847-I3851 HydrophobicContact CG2-CD1 3.79Å; I3847-I3851 WeakPolarHBondContact O-CG1 3.32Å; I3847-I3851 PolarHBondContact O-N 3.21Å; H3848-I3851 PolarHBondContact O-N 3.26Å
3852Q81.8Confident81.3Confident130 Ų13083.7 Ų83.761%0.60745%0.451SS*.Hα-helixtrans-81.5-35.6-175.6-73.6-164.7-16.900114.7H3848H3848-Q3852 PolarHBondContact CE1-NE2 2.85Å; H3848-Q3852 VanDerWaalsContact CE1-NE2 3.29Å; H3848-Q3852 PolarHBondContact NE2-NE2 2.96Å; H3848-Q3852 PolarHBondContact NE2-OE1 2.97Å; H3848-Q3852 WeakPolarHBondContact O-CB 3.32Å; H3848-Q3852 PolarHBondContact O-N 3.31Å
3853L77.9Confident81.2Confident112 Ų11288.8 Ų88.859%0.58646%0.461SS*.Hα-helixtrans-115.30.8-169.6-55.8175000112.9K3849 I3855K3849-L3853 WeakPolarHBondContact O-CA 3.19Å; K3849-L3853 WeakPolarHBondContact O-CB 3.03Å; K3849-L3853 PolarHBondContact O-N 2.84Å; L3853-I3855 HydrophobicContact CB-CD1 3.68Å; L3853-I3855 HydrophobicContact CB-CG1 3.76Å; L3853-I3855 HydrophobicContact CD1-CD1 3.81Å; L3853-I3855 HydrophobicContact CG-CD1 4.41Å; L3853-I3855 PolarHBondContact O-N 3.24Å; L3853-I3855 VanDerWaalsContact O-N 3.14Å
3854N77.8Confident81.1Confident149 Ų14987.8 Ų87.880%0.79746%0.456SS*.  trans52.332.8-179.2-151.513.8000113.7A3850A3850-N3854 VanDerWaalsContact O-CA 3.22Å; A3850-N3854 WeakPolarHBondContact O-CA 3.38Å; A3850-N3854 PolarHBondContact O-N 3.01Å; A3850-N3854 VanDerWaalsContact O-N 3.09Å
3855I76.1Confident80.8Confident81 Ų8186.7 Ų86.742%0.41545%0.45SS..  trans-74.4133.8-178.1-67.7170.6000109.4L3853 Y3857L3853-I3855 HydrophobicContact CB-CD1 3.68Å; L3853-I3855 HydrophobicContact CB-CG1 3.76Å; L3853-I3855 HydrophobicContact CD1-CD1 3.81Å; L3853-I3855 HydrophobicContact CG-CD1 4.41Å; L3853-I3855 PolarHBondContact O-N 3.24Å; L3853-I3855 VanDerWaalsContact O-N 3.14Å; I3855-Y3857 WeakPolarHBondContact O-CD1 3.33Å
3856P73Confident80.8Confident123 Ų12391.1 Ų91.180%0.79947%0.466SS*.  trans-63.1138.2176.926.1-34.9000112
3857Y77.4Confident81Confident110 Ų11089 Ų8943%0.43146%0.455SS..  trans-125.5158-175.451.2-94.6000111.7A3850 I3855 K3862 I3865A3850-Y3857 HydrophobicContact CB-CD1 3.58Å; A3850-Y3857 HydrophobicContact CB-CE1 3.99Å; A3850-Y3857 HydrophobicContact CB-CG 4.47Å; I3855-Y3857 WeakPolarHBondContact O-CD1 3.33Å; Y3857-K3862 HydrophobicContact CD2-CB 4.03Å; Y3857-K3862 HydrophobicContact CE2-CB 3.73Å; Y3857-K3862 HydrophobicContact CE2-CG 4.04Å; Y3857-I3865 HydrophobicContact CD2-CD1 4.02Å; Y3857-I3865 HydrophobicContact CE1-CD1 4.34Å; Y3857-I3865 HydrophobicContact CE2-CD1 3.77Å; Y3857-I3865 HydrophobicContact CG-CD1 4.4Å
3858G80.4Confident81.2Confident45 Ų4590 Ų9046%0.46446%0.46SS..  trans-74.1172.5-175.200000114.6D3860 S3861 K3862G3858-D3860 PolarHBondContact O-N 3.12Å; G3858-S3861 PolarHBondContact O-N 2.88Å; G3858-K3862 PolarHBondContact O-N 3.41Å
3859S78.6Confident81.3Confident88 Ų8893.4 Ų93.462%0.61547%0.474SS*.Hα-helixtrans-50.9-42.9173.844.30000112.7K3862 R3863S3859-K3862 WeakPolarHBondContact O-CB 3.34Å; S3859-K3862 PolarHBondContact O-N 2.95Å; S3859-R3863 PolarHBondContact O-N 3.42Å
3860D76.2Confident81.4Confident125 Ų12591.9 Ų91.967%0.66847%0.471SS*.Hα-helixtrans-78.7-39.3-168.3-48.4-11.9000109.5G3858 K3862 R3863 A3864G3858-D3860 PolarHBondContact O-N 3.12Å; D3860-K3862 VanDerWaalsContact C-N 3.32Å; D3860-K3862 PolarHBondContact O-N 2.69Å; D3860-R3863 WeakPolarHBondContact O-CB 3.41Å; D3860-R3863 PolarHBondContact O-N 2.84Å; D3860-A3864 PolarHBondContact O-N 2.83Å
3861S79.3Confident81.8Confident20 Ų2095.2 Ų95.214%0.1449%0.487CS..Hα-helixtrans-60.9-39.6167.6-46.40000111.8G3858 A3864 I3865G3858-S3861 PolarHBondContact O-N 2.88Å; S3861-A3864 PolarHBondContact O-N 3.3Å; S3861-I3865 WeakPolarHBondContact O-CB 3.21Å; S3861-I3865 WeakPolarHBondContact O-CD1 3.23Å; S3861-I3865 WeakPolarHBondContact O-CG1 3.11Å; S3861-I3865 PolarHBondContact O-N 2.99Å
3862K82.5Confident82.2Confident140 Ų14093.1 Ų93.161%0.60947%0.474SS*.Hα-helixtrans-63.4-40.7175.3-173.4177177.6-178.10111.8Y3857 G3858 S3859 D3860 F3866Y3857-K3862 HydrophobicContact CD2-CB 4.03Å; Y3857-K3862 HydrophobicContact CE2-CB 3.73Å; Y3857-K3862 HydrophobicContact CE2-CG 4.04Å; G3858-K3862 PolarHBondContact O-N 3.41Å; S3859-K3862 WeakPolarHBondContact O-CB 3.34Å; S3859-K3862 PolarHBondContact O-N 2.95Å; D3860-K3862 VanDerWaalsContact C-N 3.32Å; D3860-K3862 PolarHBondContact O-N 2.69Å; K3862-F3866 PolarHBondContact O-N 2.92Å; K3862-F3866 VanDerWaalsContact O-N 3.11Å
3863R83.4Confident82.7Confident153 Ų15387.2 Ų87.258%0.57745%0.447SS*.Hα-helixtrans-63.2-48.7174.6-176.7176.6178.1141.6-0.6111S3859 D3860 I3865 F3866 Q3867 D3875S3859-R3863 PolarHBondContact O-N 3.42Å; D3860-R3863 WeakPolarHBondContact O-CB 3.41Å; D3860-R3863 PolarHBondContact O-N 2.84Å; R3863-I3865 PolarHBondContact O-N 2.97Å; R3863-F3866 PolarHBondContact O-N 3.31Å; R3863-F3866 VanDerWaalsContact O-N 3.15Å; R3863-Q3867 WeakPolarHBondContact O-CG 3.4Å; R3863-Q3867 PolarHBondContact O-N 3.34Å; R3863-D3875 IonicContact CZ-OD2 2.82Å; R3863-D3875 IonicContact NE-OD2 2.65Å; R3863-D3875 PolarHBondContact NE-OD2 2.92Å; R3863-D3875 IonicContact NH2-OD2 3.28Å; R3863-D3875 PolarHBondContact NH2-OD2 2.87Å
3864A84.6Confident83.4Confident4 Ų481.9 Ų81.93%0.03342%0.419CS..Hα-helixtrans-60.1-40.9176.700000112.8D3860 S3861 F3866 Q3867 L3868 P3874D3860-A3864 PolarHBondContact O-N 2.83Å; S3861-A3864 PolarHBondContact O-N 3.3Å; A3864-F3866 PolarHBondContact O-N 3.34Å; A3864-Q3867 PolarHBondContact O-N 3.27Å; A3864-L3868 WeakPolarHBondContact O-CB 3.42Å; A3864-L3868 VanDerWaalsContact O-CG 3.23Å; A3864-L3868 WeakPolarHBondContact O-CG 3.46Å; A3864-L3868 PolarHBondContact O-N 3.42Å; A3864-P3874 HydrophobicContact CB-CB 4.04Å; A3864-P3874 HydrophobicContact CB-CG 4.1Å
3865I83.7Confident83.9Confident50 Ų5077.8 Ų77.826%0.25640%0.397SS..Hα-helixtrans-59.2-46173.7-72.1162.9000111.1I3847 Y3857 S3861 R3863 L3868 F3869I3847-I3865 HydrophobicContact CD1-CG1 3.99Å; I3847-I3865 HydrophobicContact CG1-CD1 4.21Å; I3847-I3865 HydrophobicContact CG1-CG1 3.66Å; I3847-I3865 HydrophobicContact CG2-CG1 4.35Å; Y3857-I3865 HydrophobicContact CD2-CD1 4.02Å; Y3857-I3865 HydrophobicContact CE1-CD1 4.34Å; Y3857-I3865 HydrophobicContact CE2-CD1 3.77Å; Y3857-I3865 HydrophobicContact CG-CD1 4.4Å; S3861-I3865 WeakPolarHBondContact O-CB 3.21Å; S3861-I3865 WeakPolarHBondContact O-CD1 3.23Å; S3861-I3865 WeakPolarHBondContact O-CG1 3.11Å; S3861-I3865 PolarHBondContact O-N 2.99Å; R3863-I3865 PolarHBondContact O-N 2.97Å; I3865-L3868 PolarHBondContact O-N 2.91Å; I3865-F3869 WeakPolarHBondContact O-CB 3.46Å; I3865-F3869 PolarHBondContact O-N 3.16Å
3866F86.3Confident84.3Confident132 Ų13276.4 Ų76.458%0.57940%0.395SS*.Hα-helixtrans-67.7-40.3-178.2-162.9-99.8000112.2K3862 R3863 A3864 F3869 N3870K3862-F3866 PolarHBondContact O-N 2.92Å; K3862-F3866 VanDerWaalsContact O-N 3.11Å; R3863-F3866 PolarHBondContact O-N 3.31Å; R3863-F3866 VanDerWaalsContact O-N 3.15Å; A3864-F3866 PolarHBondContact O-N 3.34Å; F3866-F3869 PolarHBondContact O-N 3.1Å; F3866-N3870 WeakPolarHBondContact CE1-ND2 3.48Å; F3866-N3870 VanDerWaalsContact O-CG 3.29Å; F3866-N3870 PolarHBondContact O-N 3.42Å; F3866-N3870 PolarHBondContact O-ND2 3.48Å
3867Q89.4Confident85.3Confident26 Ų2670.6 Ų70.612%0.12136%0.357CS..Hα-helixtrans-63.5-48.7174.5-70.7178.9-59.600111.3R3863 A3864 F3869 N3870 N3871 E3872 D3875R3863-Q3867 WeakPolarHBondContact O-CG 3.4Å; R3863-Q3867 PolarHBondContact O-N 3.34Å; A3864-Q3867 PolarHBondContact O-N 3.27Å; Q3867-F3869 VanDerWaalsContact C-N 3.27Å; Q3867-F3869 PolarHBondContact O-N 3.02Å; Q3867-N3870 CarbonylContact O-C 3.44Å; Q3867-N3870 WeakPolarHBondContact O-CA 3.49Å; Q3867-N3870 PolarHBondContact O-N 2.57Å; Q3867-N3871 PolarHBondContact O-N 3.21Å; Q3867-E3872 CarbonylContact C-O 3.08Å; Q3867-E3872 VanDerWaalsContact C-O 3.23Å; Q3867-E3872 HydrophobicContact CB-CB 4.09Å; Q3867-E3872 WeakPolarHBondContact O-CA 3.25Å; Q3867-E3872 WeakPolarHBondContact O-CB 3.22Å; Q3867-E3872 PolarHBondContact O-N 3.15Å; Q3867-D3875 VanDerWaalsContact NE2-CG 3.29Å; Q3867-D3875 PolarHBondContact NE2-OD2 2.85Å; Q3867-D3875 PolarHBondContact OE1-OD2 3.48Å
3868L88.8Confident85.8Confident44 Ų4467.1 Ų67.123%0.2335%0.345CS..Hα-helixtrans-60.5-35.6176.3-69.8170.4000112.6L3844 I3847 A3864 I3865 N3871 P3874 W3877 P3887L3844-L3868 HydrophobicContact CD2-CD1 4.42Å; I3847-L3868 HydrophobicContact CD1-CD1 3.51Å; A3864-L3868 WeakPolarHBondContact O-CB 3.42Å; A3864-L3868 VanDerWaalsContact O-CG 3.23Å; A3864-L3868 WeakPolarHBondContact O-CG 3.46Å; A3864-L3868 PolarHBondContact O-N 3.42Å; I3865-L3868 PolarHBondContact O-N 2.91Å; L3868-N3871 PolarHBondContact O-N 2.86Å; L3868-N3871 VanDerWaalsContact O-N 3.16Å; L3868-P3874 HydrophobicContact CD1-CG 4.22Å; L3868-P3874 HydrophobicContact CD2-CG 3.9Å; L3868-P3874 HydrophobicContact CG-CG 3.77Å; L3868-W3877 HydrophobicContact CD1-CH2 4.5Å; L3868-W3877 HydrophobicContact CD2-CH2 4.03Å; L3868-W3877 HydrophobicContact CD2-CZ3 4.31Å; L3868-P3887 HydrophobicContact CD2-CB 3.72Å; L3868-P3887 HydrophobicContact CD2-CG 3.48Å; L3868-P3887 VanDerWaalsContact CD2-CG 3.48Å
3869F85.1Confident86.1Confident177 Ų17769.3 Ų69.378%0.77636%0.358SS*.Hα-helixtrans-65.2-38.2174.1-176.3-94.4000112.4I3865 F3866 Q3867 N3871I3865-F3869 WeakPolarHBondContact O-CB 3.46Å; I3865-F3869 PolarHBondContact O-N 3.16Å; F3866-F3869 PolarHBondContact O-N 3.1Å; Q3867-F3869 VanDerWaalsContact C-N 3.27Å; Q3867-F3869 PolarHBondContact O-N 3.02Å; F3869-N3871 PolarHBondContact O-N 3.38Å
3870N87.3Confident86.4Confident74 Ų7467.5 Ų67.540%0.39634%0.342SS..THydrogen-bonded Turntrans-762.6173.4-63.7-15.6000113.7F3866 Q3867 E3872F3866-N3870 WeakPolarHBondContact CE1-ND2 3.48Å; F3866-N3870 VanDerWaalsContact O-CG 3.29Å; F3866-N3870 PolarHBondContact O-N 3.42Å; F3866-N3870 PolarHBondContact O-ND2 3.48Å; Q3867-N3870 CarbonylContact O-C 3.44Å; Q3867-N3870 WeakPolarHBondContact O-CA 3.49Å; Q3867-N3870 PolarHBondContact O-N 2.57Å; N3870-E3872 VanDerWaalsContact C-N 3.27Å; N3870-E3872 HydrophobicContact CB-CG 3.87Å; N3870-E3872 PolarHBondContact ND2-OE2 3.06Å; N3870-E3872 PolarHBondContact O-N 3.23Å
3871N88.2Confident87Confident81 Ų8162.1 Ų62.143%0.43331%0.312SS..THydrogen-bonded Turntrans60.632.7-171.3-168.538.6000113.4Q3867 L3868 F3869 P3887Q3867-N3871 PolarHBondContact O-N 3.21Å; L3868-N3871 PolarHBondContact O-N 2.86Å; L3868-N3871 VanDerWaalsContact O-N 3.16Å; F3869-N3871 PolarHBondContact O-N 3.38Å; N3871-P3887 VanDerWaalsContact C-CD 3.43Å; N3871-P3887 WeakPolarHBondContact O-CD 3.44Å
3872E89.4Confident87.1Confident91 Ų9164.8 Ų64.843%0.42533%0.325SS..PPolyproline II helixtrans-103.8137.5175.5-58.5176.3134.100110.9Q3867 N3870 P3874 S3885 P3887Q3867-E3872 CarbonylContact C-O 3.08Å; Q3867-E3872 VanDerWaalsContact C-O 3.23Å; Q3867-E3872 HydrophobicContact CB-CB 4.09Å; Q3867-E3872 WeakPolarHBondContact O-CA 3.25Å; Q3867-E3872 WeakPolarHBondContact O-CB 3.22Å; Q3867-E3872 PolarHBondContact O-N 3.15Å; N3870-E3872 VanDerWaalsContact C-N 3.27Å; N3870-E3872 HydrophobicContact CB-CG 3.87Å; N3870-E3872 PolarHBondContact ND2-OE2 3.06Å; N3870-E3872 PolarHBondContact O-N 3.23Å; E3872-P3874 WeakPolarHBondContact O-CD 3.42Å; E3872-S3885 WeakPolarHBondContact CA-O 3.34Å; E3872-P3887 WeakPolarHBondContact O-CG 3.28Å
3873T90.8Very high87.3Confident6 Ų658.3 Ų58.34%0.03730%0.298CS..PPolyproline II helixtrans-68.6125.6174.2-58.50000110.6W3877 Q3878 P3884 S3885 Q3886 F3890T3873-W3877 HydrophobicContact CG2-CB 4.24Å; T3873-W3877 HydrophobicContact CG2-CE3 4.03Å; T3873-Q3878 HydrophobicContact CG2-CG 3.98Å; T3873-P3884 PolarHBondContact OG1-O 3.29Å; T3873-S3885 PolarHBondContact N-O 3.15Å; T3873-S3885 PolarHBondContact OG1-O 3.09Å; T3873-Q3886 PolarHBondContact OG1-N 2.87Å; T3873-Q3886 PolarHBondContact OG1-O 3.21Å; T3873-F3890 HydrophobicContact CG2-CB 4.16Å; T3873-F3890 HydrophobicContact CG2-CD1 4.02Å; T3873-F3890 HydrophobicContact CG2-CD2 3.55Å; T3873-F3890 HydrophobicContact CG2-CE1 4.25Å; T3873-F3890 HydrophobicContact CG2-CE2 3.8Å; T3873-F3890 HydrophobicContact CG2-CG 3.66Å; T3873-F3890 HydrophobicContact CG2-CZ 4.14Å
3874P92.3Very high87.4Confident0 Ų052.3 Ų52.30%028%0.279CS..PPolyproline II helixtrans-55.2143.4-179.7-30.637.3000115.4A3864 L3868 E3872 S3876 W3877 Q3878A3864-P3874 HydrophobicContact CB-CB 4.04Å; A3864-P3874 HydrophobicContact CB-CG 4.1Å; L3868-P3874 HydrophobicContact CD1-CG 4.22Å; L3868-P3874 HydrophobicContact CD2-CG 3.9Å; L3868-P3874 HydrophobicContact CG-CG 3.77Å; E3872-P3874 WeakPolarHBondContact O-CD 3.42Å; P3874-S3876 PolarHBondContact O-N 2.89Å; P3874-W3877 HydrophobicContact CB-CD2 4.25Å; P3874-W3877 HydrophobicContact CB-CG 4.27Å; P3874-W3877 HydrophobicContact CG-CD2 4.11Å; P3874-W3877 HydrophobicContact CG-CE3 4.35Å; P3874-W3877 HydrophobicContact CG-CH2 4.38Å; P3874-W3877 HydrophobicContact CG-CZ2 4.14Å; P3874-W3877 HydrophobicContact CG-CZ3 4.48Å; P3874-W3877 PolarHBondContact O-N 2.74Å; P3874-Q3878 PolarHBondContact O-N 3.21Å; P3874-Q3878 VanDerWaalsContact O-N 3.13Å
3875D88.4Confident87.5Confident63 Ų6355.1 Ų55.134%0.33730%0.298SS..Hα-helixtrans-61.3-30.1179.4-63.6-54.1000113.1R3863 Q3867 W3877 Q3878 A3879R3863-D3875 IonicContact CZ-OD2 2.82Å; R3863-D3875 IonicContact NE-OD2 2.65Å; R3863-D3875 PolarHBondContact NE-OD2 2.92Å; R3863-D3875 IonicContact NH2-OD2 3.28Å; R3863-D3875 PolarHBondContact NH2-OD2 2.87Å; Q3867-D3875 VanDerWaalsContact NE2-CG 3.29Å; Q3867-D3875 PolarHBondContact NE2-OD2 2.85Å; Q3867-D3875 PolarHBondContact OE1-OD2 3.48Å; D3875-W3877 PolarHBondContact O-N 2.9Å; D3875-Q3878 PolarHBondContact O-N 3.29Å; D3875-A3879 VanDerWaalsContact O-CB 3.23Å; D3875-A3879 WeakPolarHBondContact O-CB 3.32Å; D3875-A3879 PolarHBondContact O-N 2.95Å
3876S85.7Confident87.8Confident52 Ų5257.9 Ų57.936%0.36431%0.31SS..Hα-helixtrans-60.7-29.8174.653.60000112.6D3843 P3874D3843-S3876 PolarHBondContact OD2-OG 2.88Å; D3843-S3876 VanDerWaalsContact OD2-OG 3.13Å; P3874-S3876 PolarHBondContact O-N 2.89Å
3877W92.6Very high87.9Confident1 Ų152 Ų520%0.00429%0.285CS..Hα-helixtrans-87.7-42.7179.1-52.2-3.6000110.1I3840 D3843 L3844 L3868 T3873 P3874 D3875 A3879 L3880 W3881 F3890 L3891I3840-W3877 HydrophobicContact CB-CZ2 4.42Å; I3840-W3877 HydrophobicContact CG1-CD2 3.73Å; I3840-W3877 HydrophobicContact CG1-CE3 4.08Å; I3840-W3877 HydrophobicContact CG1-CG 4.03Å; I3840-W3877 HydrophobicContact CG1-CZ2 4.27Å; I3840-W3877 HydrophobicContact CG2-CH2 4.19Å; I3840-W3877 HydrophobicContact CG2-CZ2 4.17Å; D3843-W3877 HydrophobicContact CB-CZ2 4.31Å; D3843-W3877 PolarHBondContact OD2-NE1 2.67Å; L3844-W3877 HydrophobicContact CD2-CH2 4.34Å; L3844-W3877 HydrophobicContact CG-CH2 4.43Å; L3844-W3877 HydrophobicContact CG-CZ2 4.41Å; L3868-W3877 HydrophobicContact CD1-CH2 4.5Å; L3868-W3877 HydrophobicContact CD2-CH2 4.03Å; L3868-W3877 HydrophobicContact CD2-CZ3 4.31Å; T3873-W3877 HydrophobicContact CG2-CB 4.24Å; T3873-W3877 HydrophobicContact CG2-CE3 4.03Å; P3874-W3877 HydrophobicContact CB-CD2 4.25Å; P3874-W3877 HydrophobicContact CB-CG 4.27Å; P3874-W3877 HydrophobicContact CG-CD2 4.11Å; P3874-W3877 HydrophobicContact CG-CE3 4.35Å; P3874-W3877 HydrophobicContact CG-CH2 4.38Å; P3874-W3877 HydrophobicContact CG-CZ2 4.14Å; P3874-W3877 HydrophobicContact CG-CZ3 4.48Å; P3874-W3877 PolarHBondContact O-N 2.74Å; D3875-W3877 PolarHBondContact O-N 2.9Å; W3877-A3879 VanDerWaalsContact C-N 3.28Å; W3877-A3879 PolarHBondContact O-N 3.01Å; W3877-L3880 PolarHBondContact O-N 2.82Å; W3877-L3880 VanDerWaalsContact O-N 3.09Å; W3877-W3881 PolarHBondContact O-N 3.48Å; W3877-W3881 VanDerWaalsContact O-N 3.08Å; W3877-F3890 HydrophobicContact CB-CE1 3.79Å; W3877-F3890 HydrophobicContact CB-CZ 3.74Å; W3877-F3890 AromaticContact CE3-CD1 3.96Å; W3877-F3890 HydrophobicContact CE3-CD1 3.96Å; W3877-F3890 AromaticContact CE3-CE1 3.98Å; W3877-F3890 HydrophobicContact CE3-CE1 3.98Å; W3877-F3890 HydrophobicContact CG-CE1 4.47Å; W3877-L3891 HydrophobicContact CZ3-CD2 4.17Å; W3877-L3891 HydrophobicContact CZ3-CG 4.44Å
3878Q88.9Confident88Confident37 Ų3756.7 Ų56.717%0.17331%0.309CS..Hα-helixtrans-61.8-34.1176.3-62-72.224.200112.6T3873 P3874 D3875 L3880 W3881 D3882T3873-Q3878 HydrophobicContact CG2-CG 3.98Å; P3874-Q3878 PolarHBondContact O-N 3.21Å; P3874-Q3878 VanDerWaalsContact O-N 3.13Å; D3875-Q3878 PolarHBondContact O-N 3.29Å; Q3878-L3880 PolarHBondContact O-N 2.96Å; Q3878-W3881 WeakPolarHBondContact CA-O 3.36Å; Q3878-W3881 CarbonylContact O-C 3.58Å; Q3878-W3881 PolarHBondContact O-N 3.24Å; Q3878-W3881 PolarHBondContact OE1-O 3.32Å; Q3878-D3882 PolarHBondContact O-N 2.85Å
3879A85.9Confident87.9Confident91 Ų9156.6 Ų56.675%0.75231%0.311SS*.THydrogen-bonded Turntrans-67.2-19.2176.100000114D3875 W3877D3875-A3879 VanDerWaalsContact O-CB 3.23Å; D3875-A3879 WeakPolarHBondContact O-CB 3.32Å; D3875-A3879 PolarHBondContact O-N 2.95Å; W3877-A3879 VanDerWaalsContact C-N 3.28Å; W3877-A3879 PolarHBondContact O-N 3.01Å
3880L85.2Confident88.2Confident51 Ų5148.1 Ų48.127%0.26727%0.274SS..THydrogen-bonded Turntrans-93.9-29.9172.3-68.2172.5000112.1L3836 V3839 W3877 Q3878L3836-L3880 HydrophobicContact CD1-CB 3.68Å; L3836-L3880 HydrophobicContact CD1-CD1 3.99Å; L3836-L3880 HydrophobicContact CD1-CG 4.5Å; V3839-L3880 HydrophobicContact CB-CD1 4.17Å; V3839-L3880 HydrophobicContact CG1-CD1 4.34Å; V3839-L3880 HydrophobicContact CG2-CD1 3.95Å; W3877-L3880 PolarHBondContact O-N 2.82Å; W3877-L3880 VanDerWaalsContact O-N 3.09Å; Q3878-L3880 PolarHBondContact O-N 2.96Å
3881W88.3Confident88.4Confident12 Ų1247.2 Ų47.25%0.04527%0.269CS..  trans-159.5114176.2169.153.3000111.1L3836 W3877 Q3878 G3883 P3884 F3890 V3893 M3894 K3897 F3924 Y4021L3836-W3881 HydrophobicContact CD2-CB 4.39Å; L3836-W3881 HydrophobicContact CD2-CE3 3.98Å; W3877-W3881 PolarHBondContact O-N 3.48Å; W3877-W3881 VanDerWaalsContact O-N 3.08Å; Q3878-W3881 WeakPolarHBondContact CA-O 3.36Å; Q3878-W3881 CarbonylContact O-C 3.58Å; Q3878-W3881 PolarHBondContact O-N 3.24Å; Q3878-W3881 PolarHBondContact OE1-O 3.32Å; W3881-G3883 PolarHBondContact O-N 3.05Å; W3881-G3883 VanDerWaalsContact O-N 3.08Å; W3881-P3884 VanDerWaalsContact CH2-CD 3.42Å; W3881-P3884 HydrophobicContact CH2-CG 4.4Å; W3881-F3890 HydrophobicContact CD2-CE2 4.19Å; W3881-F3890 HydrophobicContact CD2-CZ 4.4Å; W3881-F3890 AromaticContact CE3-CD2 3.98Å; W3881-F3890 HydrophobicContact CE3-CD2 3.98Å; W3881-F3890 HydrophobicContact CE3-CE1 4.05Å; W3881-F3890 AromaticContact CE3-CE2 3.36Å; W3881-F3890 HydrophobicContact CE3-CE2 3.36Å; W3881-F3890 AromaticContact CE3-CZ 3.4Å; W3881-F3890 HydrophobicContact CE3-CZ 3.4Å; W3881-F3890 HydrophobicContact CH2-CD2 4.37Å; W3881-F3890 HydrophobicContact CH2-CE2 4.49Å; W3881-F3890 HydrophobicContact CZ3-CD1 4.23Å; W3881-F3890 AromaticContact CZ3-CD2 3.64Å; W3881-F3890 HydrophobicContact CZ3-CD2 3.64Å; W3881-F3890 HydrophobicContact CZ3-CE1 4.13Å; W3881-F3890 AromaticContact CZ3-CE2 3.54Å; W3881-F3890 HydrophobicContact CZ3-CE2 3.54Å; W3881-F3890 HydrophobicContact CZ3-CG 4.01Å; W3881-F3890 AromaticContact CZ3-CZ 3.8Å; W3881-F3890 HydrophobicContact CZ3-CZ 3.8Å; W3881-F3890 WeakPolarHBondContact O-CE2 3.47Å; W3881-V3893 HydrophobicContact CH2-CB 4.07Å; W3881-V3893 HydrophobicContact CH2-CG1 3.66Å; W3881-V3893 HydrophobicContact CZ2-CG1 4.06Å; W3881-M3894 HydrophobicContact CZ3-CB 4Å; W3881-K3897 HydrophobicContact CH2-CD 4.44Å; W3881-K3897 HydrophobicContact CZ2-CD 4.05Å; W3881-K3897 VanDerWaalsContact CZ2-CE 3.46Å; W3881-F3924 HydrophobicContact CB-CD1 4.33Å; W3881-F3924 AromaticContact CD1-CD1 3.83Å; W3881-F3924 AromaticContact CD2-CD1 3.55Å; W3881-F3924 HydrophobicContact CD2-CD1 3.55Å; W3881-F3924 AromaticContact CD2-CE1 3.91Å; W3881-F3924 HydrophobicContact CD2-CE1 3.91Å; W3881-F3924 AromaticContact CE2-CD1 3.78Å; W3881-F3924 HydrophobicContact CE3-CD1 4.03Å; W3881-F3924 AromaticContact CE3-CE1 3.89Å; W3881-F3924 HydrophobicContact CE3-CE1 3.89Å; W3881-F3924 AromaticContact CG-CD1 3.64Å; W3881-F3924 HydrophobicContact CG-CD1 3.64Å; W3881-F3924 HydrophobicContact CG-CE1 4.38Å; W3881-F3924 HydrophobicContact CZ2-CD1 4.47Å; W3881-F3924 HydrophobicContact CZ3-CE1 4.26Å; W3881-F3924 AromaticContact NE1-CD1 3.89Å; W3881-Y4021 AromaticContact NE1-CZ 3.97Å; W3881-Y4021 PolarHBondContact NE1-OH 2.98Å
3882D83.3Confident88.6Confident75 Ų7550.3 Ų50.340%0.40128%0.279SS..  trans-67.9104171.7-175.45.4000109.3Q3878 R4024 K4026Q3878-D3882 PolarHBondContact O-N 2.85Å; D3882-R4024 IonicContact OD1-NH1 2.86Å; D3882-K4026 IonicContact OD1-NZ 3.55Å; D3882-K4026 PolarHBondContact OD1-NZ 2.66Å; D3882-K4026 WeakPolarHBondContact OD2-CD 3.39Å; D3882-K4026 IonicContact OD2-NZ 3.77Å; D3882-K4026 PolarHBondContact OD2-NZ 3.05Å
3883G85.9Confident88.6Confident4 Ų448.8 Ų48.84%0.04128%0.275CS..  trans-128-159.6-170.900000113.2W3881 S3885 R4024W3881-G3883 PolarHBondContact O-N 3.05Å; W3881-G3883 VanDerWaalsContact O-N 3.08Å; G3883-S3885 PolarHBondContact O-N 3.12Å; G3883-R4024 PolarHBondContact O-NH1 2.84Å
3884P86.2Confident88.5Confident28 Ų2849.2 Ų49.218%0.18228%0.277CS..  trans-56.2136174-24.133.3000111.9T3873 W3881 Q3886 S3889 F3890 V3893T3873-P3884 PolarHBondContact OG1-O 3.29Å; W3881-P3884 VanDerWaalsContact CH2-CD 3.42Å; W3881-P3884 HydrophobicContact CH2-CG 4.4Å; P3884-Q3886 PolarHBondContact O-N 2.89Å; P3884-S3889 VanDerWaalsContact CB-OG 3.28Å; P3884-S3889 WeakPolarHBondContact CB-OG 3.37Å; P3884-F3890 HydrophobicContact CB-CB 4.28Å; P3884-F3890 WeakPolarHBondContact O-CD2 3.43Å; P3884-V3893 HydrophobicContact CG-CB 4.31Å; P3884-V3893 HydrophobicContact CG-CG2 4.16Å
3885S86.1Confident88.4Confident63 Ų6351.9 Ų51.944%0.44130%0.299SS..SBendtrans-76.7-6.7-176.3-58.60000114.2E3872 T3873 G3883 R4024E3872-S3885 WeakPolarHBondContact CA-O 3.34Å; T3873-S3885 PolarHBondContact N-O 3.15Å; T3873-S3885 PolarHBondContact OG1-O 3.09Å; G3883-S3885 PolarHBondContact O-N 3.12Å; S3885-R4024 PolarHBondContact OG-NH2 2.86Å
3886Q89.6Confident88.5Confident107 Ų10751.9 Ų51.950%0.530%0.304SS..SBendtrans-106.8133.2175.5-67.5173.8-12.100110.2T3873 P3884 M3888 S3889 F3890T3873-Q3886 PolarHBondContact OG1-N 2.87Å; T3873-Q3886 PolarHBondContact OG1-O 3.21Å; P3884-Q3886 PolarHBondContact O-N 2.89Å; Q3886-M3888 VanDerWaalsContact C-N 3.34Å; Q3886-M3888 PolarHBondContact O-N 3.08Å; Q3886-S3889 PolarHBondContact O-N 3.05Å; Q3886-S3889 PolarHBondContact O-OG 3.28Å; Q3886-S3889 VanDerWaalsContact O-OG 3.08Å; Q3886-F3890 WeakPolarHBondContact O-CB 3.42Å; Q3886-F3890 PolarHBondContact O-N 2.9Å
3887P89.2Confident88.8Confident10 Ų1050 Ų507%0.06529%0.289CS..Hα-helixtrans-56.5-42.7-175.4-2733.7000113.7L3868 N3871 E3872 S3889 F3890 L3891L3868-P3887 HydrophobicContact CD2-CB 3.72Å; L3868-P3887 HydrophobicContact CD2-CG 3.48Å; L3868-P3887 VanDerWaalsContact CD2-CG 3.48Å; N3871-P3887 VanDerWaalsContact C-CD 3.43Å; N3871-P3887 WeakPolarHBondContact O-CD 3.44Å; E3872-P3887 WeakPolarHBondContact O-CG 3.28Å; P3887-S3889 VanDerWaalsContact C-N 3.35Å; P3887-S3889 PolarHBondContact O-N 2.96Å; P3887-F3890 PolarHBondContact O-N 2.93Å; P3887-L3891 WeakPolarHBondContact O-CB 3.39Å; P3887-L3891 VanDerWaalsContact O-CG 3.25Å; P3887-L3891 WeakPolarHBondContact O-CG 3.27Å; P3887-L3891 PolarHBondContact O-N 2.76Å
3888M89.9Confident88.6Confident124 Ų12451 Ų5161%0.61130%0.297SS*.Hα-helixtrans-70.6-26-175.9-77.2-67.5-76.500114Q3886 K3892Q3886-M3888 VanDerWaalsContact C-N 3.34Å; Q3886-M3888 PolarHBondContact O-N 3.08Å; M3888-K3892 WeakPolarHBondContact O-CD 3.41Å; M3888-K3892 VanDerWaalsContact O-CG 3.26Å; M3888-K3892 WeakPolarHBondContact O-CG 3.31Å
3889S87.5Confident88.6Confident41 Ų4153.8 Ų53.829%0.28731%0.312SS..Hα-helixtrans-86.4-35.7171.255.10000111.3P3884 Q3886 P3887 L3891 K3892 V3893P3884-S3889 VanDerWaalsContact CB-OG 3.28Å; P3884-S3889 WeakPolarHBondContact CB-OG 3.37Å; Q3886-S3889 PolarHBondContact O-N 3.05Å; Q3886-S3889 PolarHBondContact O-OG 3.28Å; Q3886-S3889 VanDerWaalsContact O-OG 3.08Å; P3887-S3889 VanDerWaalsContact C-N 3.35Å; P3887-S3889 PolarHBondContact O-N 2.96Å; S3889-L3891 PolarHBondContact O-N 2.84Å; S3889-K3892 PolarHBondContact O-N 3.39Å; S3889-V3893 WeakPolarHBondContact O-CG2 3.42Å; S3889-V3893 PolarHBondContact O-N 3.35Å
3890F92.2Very high88.6Confident0 Ų052.2 Ų52.20%029%0.291CS..Hα-helixtrans-56.1-51.7172.9-172-89.1000111.4L3836 I3840 T3873 W3877 W3881 P3884 Q3886 P3887 K3892 V3893 M3894L3836-F3890 HydrophobicContact CD1-CZ 4.44Å; I3840-F3890 HydrophobicContact CD1-CE1 4.19Å; T3873-F3890 HydrophobicContact CG2-CB 4.16Å; T3873-F3890 HydrophobicContact CG2-CD1 4.02Å; T3873-F3890 HydrophobicContact CG2-CD2 3.55Å; T3873-F3890 HydrophobicContact CG2-CE1 4.25Å; T3873-F3890 HydrophobicContact CG2-CE2 3.8Å; T3873-F3890 HydrophobicContact CG2-CG 3.66Å; T3873-F3890 HydrophobicContact CG2-CZ 4.14Å; W3877-F3890 HydrophobicContact CB-CE1 3.79Å; W3877-F3890 HydrophobicContact CB-CZ 3.74Å; W3877-F3890 AromaticContact CE3-CD1 3.96Å; W3877-F3890 HydrophobicContact CE3-CD1 3.96Å; W3877-F3890 AromaticContact CE3-CE1 3.98Å; W3877-F3890 HydrophobicContact CE3-CE1 3.98Å; W3877-F3890 HydrophobicContact CG-CE1 4.47Å; W3881-F3890 HydrophobicContact CD2-CE2 4.19Å; W3881-F3890 HydrophobicContact CD2-CZ 4.4Å; W3881-F3890 AromaticContact CE3-CD2 3.98Å; W3881-F3890 HydrophobicContact CE3-CD2 3.98Å; W3881-F3890 HydrophobicContact CE3-CE1 4.05Å; W3881-F3890 AromaticContact CE3-CE2 3.36Å; W3881-F3890 HydrophobicContact CE3-CE2 3.36Å; W3881-F3890 AromaticContact CE3-CZ 3.4Å; W3881-F3890 HydrophobicContact CE3-CZ 3.4Å; W3881-F3890 HydrophobicContact CH2-CD2 4.37Å; W3881-F3890 HydrophobicContact CH2-CE2 4.49Å; W3881-F3890 HydrophobicContact CZ3-CD1 4.23Å; W3881-F3890 AromaticContact CZ3-CD2 3.64Å; W3881-F3890 HydrophobicContact CZ3-CD2 3.64Å; W3881-F3890 HydrophobicContact CZ3-CE1 4.13Å; W3881-F3890 AromaticContact CZ3-CE2 3.54Å; W3881-F3890 HydrophobicContact CZ3-CE2 3.54Å; W3881-F3890 HydrophobicContact CZ3-CG 4.01Å; W3881-F3890 AromaticContact CZ3-CZ 3.8Å; W3881-F3890 HydrophobicContact CZ3-CZ 3.8Å; W3881-F3890 WeakPolarHBondContact O-CE2 3.47Å; P3884-F3890 HydrophobicContact CB-CB 4.28Å; P3884-F3890 WeakPolarHBondContact O-CD2 3.43Å; Q3886-F3890 WeakPolarHBondContact O-CB 3.42Å; Q3886-F3890 PolarHBondContact O-N 2.9Å; P3887-F3890 PolarHBondContact O-N 2.93Å; F3890-K3892 PolarHBondContact O-N 3.46Å; F3890-V3893 PolarHBondContact O-N 3.31Å; F3890-M3894 WeakPolarHBondContact O-CB 3.27Å; F3890-M3894 PolarHBondContact O-N 2.77Å
3891L91.8Very high88.7Confident54 Ų5449.8 Ų49.828%0.28328%0.279SS..Hα-helixtrans-62.7-39.5179-67.9173.1000112.9I3840 W3877 P3887 S3889 A3895I3840-L3891 HydrophobicContact CD1-CD2 4.01Å; I3840-L3891 HydrophobicContact CG2-CD2 3.65Å; W3877-L3891 HydrophobicContact CZ3-CD2 4.17Å; W3877-L3891 HydrophobicContact CZ3-CG 4.44Å; P3887-L3891 WeakPolarHBondContact O-CB 3.39Å; P3887-L3891 VanDerWaalsContact O-CG 3.25Å; P3887-L3891 WeakPolarHBondContact O-CG 3.27Å; P3887-L3891 PolarHBondContact O-N 2.76Å; S3889-L3891 PolarHBondContact O-N 2.84Å; L3891-A3895 VanDerWaalsContact O-CB 3.3Å; L3891-A3895 WeakPolarHBondContact O-CB 3.31Å; L3891-A3895 PolarHBondContact O-N 3.25Å
3892K90.9Very high88.6Confident147 Ų14754.7 Ų54.764%0.63930%0.298SS*.Hα-helixtrans-66.2-47.2177.3-76.5176.5-179.1-177.30112.3M3888 S3889 F3890 A3895 S3896M3888-K3892 WeakPolarHBondContact O-CD 3.41Å; M3888-K3892 VanDerWaalsContact O-CG 3.26Å; M3888-K3892 WeakPolarHBondContact O-CG 3.31Å; S3889-K3892 PolarHBondContact O-N 3.39Å; F3890-K3892 PolarHBondContact O-N 3.46Å; K3892-A3895 PolarHBondContact O-N 2.97Å; K3892-S3896 PolarHBondContact O-N 3Å
3893V88.9Confident88.6Confident58 Ų5855 Ų5535%0.35230%0.297SS..Hα-helixtrans-67.9-39.7178.9175.40000110.5W3881 P3884 S3889 F3890 S3896 K3897W3881-V3893 HydrophobicContact CH2-CB 4.07Å; W3881-V3893 HydrophobicContact CH2-CG1 3.66Å; W3881-V3893 HydrophobicContact CZ2-CG1 4.06Å; P3884-V3893 HydrophobicContact CG-CB 4.31Å; P3884-V3893 HydrophobicContact CG-CG2 4.16Å; S3889-V3893 WeakPolarHBondContact O-CG2 3.42Å; S3889-V3893 PolarHBondContact O-N 3.35Å; F3890-V3893 PolarHBondContact O-N 3.31Å; V3893-S3896 PolarHBondContact O-N 2.86Å; V3893-K3897 HydrophobicContact CG1-CD 4.09Å; V3893-K3897 HydrophobicContact CG1-CG 4.27Å; V3893-K3897 WeakPolarHBondContact O-CB 3.41Å; V3893-K3897 WeakPolarHBondContact O-CG 3.33Å; V3893-K3897 PolarHBondContact O-N 3.32Å
3894M90.3Very high88.5Confident16 Ų1655.5 Ų55.58%0.07930%0.298CS..Hα-helixtrans-57.7-48.2173.3-177.2-80.3165.800111.5A3833 L3836 A3837 I3840 W3881 F3890 S3898 F3924A3833-M3894 WeakPolarHBondContact O-CE 3.32Å; L3836-M3894 HydrophobicContact CB-CE 4.16Å; L3836-M3894 HydrophobicContact CD2-CE 4.14Å; L3836-M3894 HydrophobicContact CD2-CG 3.51Å; L3836-M3894 HydrophobicContact CG-CE 4.3Å; L3836-M3894 HydrophobicContact CG-CG 4.31Å; A3837-M3894 HydrophobicContact CB-CE 3.83Å; I3840-M3894 HydrophobicContact CD1-CG 4.4Å; W3881-M3894 HydrophobicContact CZ3-CB 4Å; F3890-M3894 WeakPolarHBondContact O-CB 3.27Å; F3890-M3894 PolarHBondContact O-N 2.77Å; M3894-S3898 VanDerWaalsContact CE-OG 3.22Å; M3894-S3898 WeakPolarHBondContact CE-OG 3.49Å; M3894-S3898 VanDerWaalsContact O-CB 3.29Å; M3894-S3898 WeakPolarHBondContact O-CB 3.18Å; M3894-S3898 PolarHBondContact O-N 3.25Å; M3894-S3898 PolarHBondContact O-OG 2.98Å; M3894-F3924 HydrophobicContact CG-CE1 4.32Å; M3894-F3924 HydrophobicContact CG-CZ 4.3Å
3895A89.8Confident88.4Confident56 Ų5655.6 Ų55.646%0.46330%0.296SS..Hα-helixtrans-64.3-42.7179.700000112.4L3891 K3892 L3899L3891-A3895 VanDerWaalsContact O-CB 3.3Å; L3891-A3895 WeakPolarHBondContact O-CB 3.31Å; L3891-A3895 PolarHBondContact O-N 3.25Å; K3892-A3895 PolarHBondContact O-N 2.97Å; A3895-L3899 WeakPolarHBondContact O-CB 3.3Å; A3895-L3899 PolarHBondContact O-N 3.24Å; A3895-L3899 VanDerWaalsContact O-N 3.14Å
3896S90Very high88Confident62 Ų6256.6 Ų56.643%0.43429%0.294SS..Hα-helixtrans-58.8-61.9173.6-166.50000110.5K3892 V3893 S3898 L3899 D3900K3892-S3896 PolarHBondContact O-N 3Å; V3893-S3896 PolarHBondContact O-N 2.86Å; S3896-S3898 PolarHBondContact O-N 3.18Å; S3896-S3898 VanDerWaalsContact O-N 3.08Å; S3896-L3899 CarbonylContact O-C 3.59Å; S3896-L3899 WeakPolarHBondContact O-CA 3.44Å; S3896-L3899 PolarHBondContact O-N 3.45Å; S3896-D3900 WeakPolarHBondContact O-CB 3.24Å; S3896-D3900 PolarHBondContact O-N 3.41Å; S3896-D3900 PolarHBondContact OG-OD2 3.48Å
3897K91.6Very high87.4Confident12 Ų1256.9 Ų56.95%0.05229%0.29CS..Hα-helixtrans-49.2-43.7-180-73.4-179.8-178.1-78.40112W3881 V3893 L3899 D3900 I3901 S3921 M3922 F3923 F3924 Y4021W3881-K3897 HydrophobicContact CH2-CD 4.44Å; W3881-K3897 HydrophobicContact CZ2-CD 4.05Å; W3881-K3897 VanDerWaalsContact CZ2-CE 3.46Å; V3893-K3897 HydrophobicContact CG1-CD 4.09Å; V3893-K3897 HydrophobicContact CG1-CG 4.27Å; V3893-K3897 WeakPolarHBondContact O-CB 3.41Å; V3893-K3897 WeakPolarHBondContact O-CG 3.33Å; V3893-K3897 PolarHBondContact O-N 3.32Å; K3897-L3899 PolarHBondContact O-N 3.33Å; K3897-D3900 PolarHBondContact N-OD2 2.83Å; K3897-D3900 PolarHBondContact O-N 3.28Å; K3897-I3901 VanDerWaalsContact O-CB 3.27Å; K3897-I3901 WeakPolarHBondContact O-CB 3.16Å; K3897-I3901 VanDerWaalsContact O-CD1 3.27Å; K3897-I3901 WeakPolarHBondContact O-CD1 3.14Å; K3897-I3901 WeakPolarHBondContact O-CG1 3.3Å; K3897-I3901 PolarHBondContact O-N 3.14Å; K3897-S3921 PolarHBondContact NZ-O 3.27Å; K3897-M3922 VanDerWaalsContact CB-O 3.31Å; K3897-M3922 WeakPolarHBondContact CB-O 3.44Å; K3897-M3922 WeakPolarHBondContact CG-O 3.26Å; K3897-F3923 PolarHBondContact NZ-O 3.29Å; K3897-F3924 HydrophobicContact CB-CE1 4.05Å; K3897-F3924 HydrophobicContact CB-CE2 3.89Å; K3897-F3924 HydrophobicContact CB-CZ 3.61Å; K3897-F3924 HydrophobicContact CD-CD1 3.71Å; K3897-F3924 HydrophobicContact CD-CE1 3.62Å; K3897-F3924 HydrophobicContact CD-CG 4.26Å; K3897-F3924 HydrophobicContact CD-CZ 4.07Å; K3897-Y4021 WeakPolarHBondContact CE-OH 3.01Å; K3897-Y4021 PolarHBondContact NZ-OH 2.56Å; K3897-Y4021 VanDerWaalsContact NZ-OH 3.16Å
3898S88.9Confident86.5Confident24 Ų2457.3 Ų57.317%0.16830%0.297CS..Hα-helixtrans-63.2-40.1179.8-57.80000113.1M3894 S3896 Y3902M3894-S3898 VanDerWaalsContact CE-OG 3.22Å; M3894-S3898 WeakPolarHBondContact CE-OG 3.49Å; M3894-S3898 VanDerWaalsContact O-CB 3.29Å; M3894-S3898 WeakPolarHBondContact O-CB 3.18Å; M3894-S3898 PolarHBondContact O-N 3.25Å; M3894-S3898 PolarHBondContact O-OG 2.98Å; S3896-S3898 PolarHBondContact O-N 3.18Å; S3896-S3898 VanDerWaalsContact O-N 3.08Å; S3898-Y3902 WeakPolarHBondContact O-CB 3.09Å; S3898-Y3902 PolarHBondContact O-N 3.13Å; S3898-Y3902 VanDerWaalsContact O-N 3.15Å
3899L88.2Confident85.3Confident95 Ų9557.5 Ų57.550%0.49730%0.304SS..Hα-helixtrans-73.8-44.4176.4-176.8146.6000111.2A3895 S3896 K3897 I3901 Y3902 E3903A3895-L3899 WeakPolarHBondContact O-CB 3.3Å; A3895-L3899 PolarHBondContact O-N 3.24Å; A3895-L3899 VanDerWaalsContact O-N 3.14Å; S3896-L3899 CarbonylContact O-C 3.59Å; S3896-L3899 WeakPolarHBondContact O-CA 3.44Å; S3896-L3899 PolarHBondContact O-N 3.45Å; K3897-L3899 PolarHBondContact O-N 3.33Å; L3899-I3901 VanDerWaalsContact C-N 3.35Å; L3899-I3901 PolarHBondContact O-N 2.76Å; L3899-Y3902 PolarHBondContact O-N 2.94Å; L3899-Y3902 VanDerWaalsContact O-N 3.12Å; L3899-E3903 HydrophobicContact CD2-CG 4.33Å; L3899-E3903 PolarHBondContact O-N 2.8Å
3900D86.8Confident84Confident58 Ų5862.7 Ų62.731%0.3132%0.322SS..Hα-helixtrans-58.1-44.9176.5-63.5-47.8000111.2S3896 K3897 W3904 M3922S3896-D3900 WeakPolarHBondContact O-CB 3.24Å; S3896-D3900 PolarHBondContact O-N 3.41Å; S3896-D3900 PolarHBondContact OG-OD2 3.48Å; K3897-D3900 PolarHBondContact N-OD2 2.83Å; K3897-D3900 PolarHBondContact O-N 3.28Å; D3900-W3904 VanDerWaalsContact O-CB 3.31Å; D3900-W3904 WeakPolarHBondContact O-CB 3.32Å; D3900-W3904 PolarHBondContact O-N 2.81Å; D3900-M3922 HydrophobicContact CB-CB 3.7Å; D3900-M3922 HydrophobicContact CB-CG 4.37Å; D3900-M3922 HydrophobicContact CB-SD 4.34Å
3901I88.1Confident82.6Confident0 Ų065 Ų650%034%0.338CS..Hα-helixtrans-64.3-41.5174.3-71161000111.6E3829 H3830 K3897 L3899 L3905 M3922 F3923 F3924E3829-I3901 HydrophobicContact CG-CD1 3.68Å; E3829-I3901 HydrophobicContact CG-CG1 4.43Å; H3830-I3901 HydrophobicContact CB-CG2 4.06Å; K3897-I3901 VanDerWaalsContact O-CB 3.27Å; K3897-I3901 WeakPolarHBondContact O-CB 3.16Å; K3897-I3901 VanDerWaalsContact O-CD1 3.27Å; K3897-I3901 WeakPolarHBondContact O-CD1 3.14Å; K3897-I3901 WeakPolarHBondContact O-CG1 3.3Å; K3897-I3901 PolarHBondContact O-N 3.14Å; L3899-I3901 VanDerWaalsContact C-N 3.35Å; L3899-I3901 PolarHBondContact O-N 2.76Å; I3901-L3905 HydrophobicContact CG2-CD1 4.28Å; I3901-L3905 WeakPolarHBondContact O-CB 3.22Å; I3901-L3905 PolarHBondContact O-N 3.15Å; I3901-M3922 WeakPolarHBondContact CD1-O 3.43Å; I3901-F3923 HydrophobicContact CG1-CD1 4.18Å; I3901-F3924 HydrophobicContact CD1-CD2 3.58Å; I3901-F3924 HydrophobicContact CD1-CE2 3.61Å
3902Y84.5Confident81.9Confident114 Ų11466.4 Ų66.445%0.44735%0.346SS..Hα-helixtrans-65.3-46.5178.6177.6-87.6000111.3H3830 S3898 L3899 L3905 E3906H3830-Y3902 AromaticContact CE1-CD2 3.84Å; S3898-Y3902 WeakPolarHBondContact O-CB 3.09Å; S3898-Y3902 PolarHBondContact O-N 3.13Å; S3898-Y3902 VanDerWaalsContact O-N 3.15Å; L3899-Y3902 PolarHBondContact O-N 2.94Å; L3899-Y3902 VanDerWaalsContact O-N 3.12Å; Y3902-L3905 WeakPolarHBondContact O-CB 3.25Å; Y3902-L3905 PolarHBondContact O-N 2.94Å; Y3902-E3906 HydrophobicContact CE1-CG 3.92Å; Y3902-E3906 VanDerWaalsContact CE1-OE1 3.32Å; Y3902-E3906 WeakPolarHBondContact CE1-OE1 3.3Å; Y3902-E3906 PolarHBondContact O-N 2.98Å; Y3902-E3906 PolarHBondContact OH-OE1 3.49Å
3903E84.3Confident81.3Confident82 Ų8260 Ų6038%0.38332%0.319SS..Hα-helixtrans-63.7-41.7176.4-75.7-159.4-156.600112.2L3899 L3905 E3906 R3907L3899-E3903 HydrophobicContact CD2-CG 4.33Å; L3899-E3903 PolarHBondContact O-N 2.8Å; E3903-L3905 VanDerWaalsContact C-N 3.34Å; E3903-L3905 PolarHBondContact O-N 2.69Å; E3903-E3906 PolarHBondContact O-N 2.73Å; E3903-R3907 WeakPolarHBondContact O-CG 3.4Å; E3903-R3907 PolarHBondContact O-N 3.35Å; E3903-R3907 IonicContact OE2-CZ 3.91Å; E3903-R3907 IonicContact OE2-NE 3.36Å; E3903-R3907 IonicContact OE2-NH2 2.63Å; E3903-R3907 PolarHBondContact OE2-NH2 3.47Å
3904W84.5Confident81Confident15 Ų1557.6 Ų57.66%0.05730%0.303CS..Hα-helixtrans-62.5-39.7176.3-178.263.4000112.1I3822 F3825 A3826 D3900 R3907 G3908 L3913 V3918 M3922 F3923 F3929I3822-W3904 HydrophobicContact CG2-CH2 3.85Å; I3822-W3904 HydrophobicContact CG2-CZ2 4.32Å; F3825-W3904 HydrophobicContact CD1-CZ3 4.49Å; F3825-W3904 HydrophobicContact CE1-CZ3 4.3Å; A3826-W3904 HydrophobicContact CB-CE3 4.27Å; A3826-W3904 HydrophobicContact CB-CH2 4.36Å; A3826-W3904 HydrophobicContact CB-CZ3 3.61Å; D3900-W3904 VanDerWaalsContact O-CB 3.31Å; D3900-W3904 WeakPolarHBondContact O-CB 3.32Å; D3900-W3904 PolarHBondContact O-N 2.81Å; W3904-R3907 PolarHBondContact O-N 2.76Å; W3904-G3908 PolarHBondContact O-N 2.96Å; W3904-L3913 HydrophobicContact CD2-CD2 3.74Å; W3904-L3913 HydrophobicContact CE3-CD2 4.09Å; W3904-L3913 HydrophobicContact CG-CD2 4.27Å; W3904-L3913 HydrophobicContact CH2-CD2 4.13Å; W3904-L3913 HydrophobicContact CZ2-CB 3.96Å; W3904-L3913 HydrophobicContact CZ2-CD2 3.76Å; W3904-L3913 HydrophobicContact CZ2-CG 4.37Å; W3904-L3913 HydrophobicContact CZ3-CD2 4.28Å; W3904-L3913 PolarHBondContact NE1-O 3.42Å; W3904-L3913 WeakPolarHBondContact O-CD2 3.29Å; W3904-V3918 HydrophobicContact CZ2-CG2 4.32Å; W3904-M3922 HydrophobicContact CB-CE 3.86Å; W3904-M3922 HydrophobicContact CB-SD 4.48Å; W3904-M3922 HydrophobicContact CD2-CE 3.54Å; W3904-M3922 HydrophobicContact CE3-CE 3.98Å; W3904-M3922 HydrophobicContact CG-CE 3.49Å; W3904-M3922 VanDerWaalsContact CG-CE 3.49Å; W3904-F3923 HydrophobicContact CD2-CE1 4.42Å; W3904-F3923 HydrophobicContact CD2-CZ 4.4Å; W3904-F3923 AromaticContact CE3-CE1 3.69Å; W3904-F3923 HydrophobicContact CE3-CE1 3.69Å; W3904-F3923 AromaticContact CE3-CZ 3.99Å; W3904-F3923 HydrophobicContact CE3-CZ 3.99Å; W3904-F3923 HydrophobicContact CH2-CE1 4.04Å; W3904-F3923 AromaticContact CH2-CZ 3.66Å; W3904-F3923 HydrophobicContact CH2-CZ 3.66Å; W3904-F3923 HydrophobicContact CZ2-CZ 4.1Å; W3904-F3923 AromaticContact CZ3-CE1 3.47Å; W3904-F3923 HydrophobicContact CZ3-CE1 3.47Å; W3904-F3923 VanDerWaalsContact CZ3-CE1 3.47Å; W3904-F3923 AromaticContact CZ3-CZ 3.6Å; W3904-F3923 HydrophobicContact CZ3-CZ 3.6Å; W3904-F3929 HydrophobicContact CH2-CD2 4.32Å; W3904-F3929 HydrophobicContact CH2-CE2 4.12Å; W3904-F3929 HydrophobicContact CZ2-CE2 4.28Å
3905L82.3Confident80.4Confident30 Ų3060.4 Ų60.416%0.15733%0.329CS..Hα-helixtrans-61.3-47.8170.5-88.3167.8000112.1A3826 H3830 I3901 Y3902 E3903 R3907 G3908 V3909A3826-L3905 HydrophobicContact CB-CD2 3.54Å; A3826-L3905 HydrophobicContact CB-CG 4.08Å; H3830-L3905 HydrophobicContact CB-CD1 3.53Å; I3901-L3905 HydrophobicContact CG2-CD1 4.28Å; I3901-L3905 WeakPolarHBondContact O-CB 3.22Å; I3901-L3905 PolarHBondContact O-N 3.15Å; Y3902-L3905 WeakPolarHBondContact O-CB 3.25Å; Y3902-L3905 PolarHBondContact O-N 2.94Å; E3903-L3905 VanDerWaalsContact C-N 3.34Å; E3903-L3905 PolarHBondContact O-N 2.69Å; L3905-R3907 VanDerWaalsContact C-N 3.28Å; L3905-R3907 PolarHBondContact O-N 3.4Å; L3905-G3908 CarbonylContact O-C 3.47Å; L3905-G3908 PolarHBondContact O-N 3.22Å; L3905-G3908 VanDerWaalsContact O-N 3.16Å; L3905-V3909 WeakPolarHBondContact O-CG2 3.21Å; L3905-V3909 PolarHBondContact O-N 3.15Å
3906E78.4Confident79.9Confident83 Ų8360.8 Ų60.839%0.38832%0.321SS..Hα-helixtrans-63.6-31.4179.6-104.3-142.8-136.900113.6Y3902 E3903 K3910Y3902-E3906 HydrophobicContact CE1-CG 3.92Å; Y3902-E3906 VanDerWaalsContact CE1-OE1 3.32Å; Y3902-E3906 WeakPolarHBondContact CE1-OE1 3.3Å; Y3902-E3906 PolarHBondContact O-N 2.98Å; Y3902-E3906 PolarHBondContact OH-OE1 3.49Å; E3903-E3906 PolarHBondContact O-N 2.73Å; E3906-K3910 VanDerWaalsContact O-CD 3.25Å; E3906-K3910 WeakPolarHBondContact O-CD 3.25Å; E3906-K3910 WeakPolarHBondContact O-CE 3.25Å; E3906-K3910 PolarHBondContact O-NZ 2.71Å; E3906-K3910 IonicContact OE2-NZ 2.63Å; E3906-K3910 PolarHBondContact OE2-NZ 3.47Å
3907R77.4Confident79.6Confident113 Ų11360.7 Ų60.743%0.42632%0.319SS..Hα-helixtrans-73.9-43.1172-65.4168-161.3-163.19110.6E3903 W3904 L3905 V3909 K3910 S3911 E3916E3903-R3907 WeakPolarHBondContact O-CG 3.4Å; E3903-R3907 PolarHBondContact O-N 3.35Å; E3903-R3907 IonicContact OE2-CZ 3.91Å; E3903-R3907 IonicContact OE2-NE 3.36Å; E3903-R3907 IonicContact OE2-NH2 2.63Å; E3903-R3907 PolarHBondContact OE2-NH2 3.47Å; W3904-R3907 PolarHBondContact O-N 2.76Å; L3905-R3907 VanDerWaalsContact C-N 3.28Å; L3905-R3907 PolarHBondContact O-N 3.4Å; R3907-V3909 PolarHBondContact O-N 2.71Å; R3907-K3910 CarbonylContact O-C 3.57Å; R3907-K3910 WeakPolarHBondContact O-CA 3.47Å; R3907-K3910 WeakPolarHBondContact O-CB 3.38Å; R3907-K3910 PolarHBondContact O-N 2.88Å; R3907-S3911 PolarHBondContact O-N 3.38Å; R3907-S3911 PolarHBondContact O-OG 3.45Å; R3907-E3916 WeakPolarHBondContact CD-OE2 3.46Å; R3907-E3916 IonicContact NH1-OE2 2.58Å
3908G70.2Confident79.4Confident19 Ų1960.1 Ų60.120%0.19632%0.317CS..Hα-helixtrans-68.2-7.9177.100000116.9W3904 L3905 S3911W3904-G3908 PolarHBondContact O-N 2.96Å; L3905-G3908 CarbonylContact O-C 3.47Å; L3905-G3908 PolarHBondContact O-N 3.22Å; L3905-G3908 VanDerWaalsContact O-N 3.16Å; G3908-S3911 CarbonylContact C-O 3.53Å
3909V65Low79.4Confident128 Ų12861.3 Ų61.378%0.77632%0.321SS*.THydrogen-bonded Turntrans-83-21165172.50000111.5L3905 R3907L3905-V3909 WeakPolarHBondContact O-CG2 3.21Å; L3905-V3909 PolarHBondContact O-N 3.15Å; R3907-V3909 PolarHBondContact O-N 2.71Å
3910K59.8Low79.4Confident151 Ų15156.9 Ų56.966%0.65730%0.298SS*.THydrogen-bonded Turntrans-100.5-23.2-177.9-58.1158.3-169.6143.80112.1E3906 R3907E3906-K3910 VanDerWaalsContact O-CD 3.25Å; E3906-K3910 WeakPolarHBondContact O-CD 3.25Å; E3906-K3910 WeakPolarHBondContact O-CE 3.25Å; E3906-K3910 PolarHBondContact O-NZ 2.71Å; E3906-K3910 IonicContact OE2-NZ 2.63Å; E3906-K3910 PolarHBondContact OE2-NZ 3.47Å; R3907-K3910 CarbonylContact O-C 3.57Å; R3907-K3910 WeakPolarHBondContact O-CA 3.47Å; R3907-K3910 WeakPolarHBondContact O-CB 3.38Å; R3907-K3910 PolarHBondContact O-N 2.88Å
3911S63.6Low79.3Confident47 Ų4755.7 Ų55.733%0.32929%0.294SS..SBendtrans-139-177.6-178.574.80000111.6R3907 G3908 E3916R3907-S3911 PolarHBondContact O-N 3.38Å; R3907-S3911 PolarHBondContact O-OG 3.45Å; G3908-S3911 CarbonylContact C-O 3.53Å; S3911-E3916 PolarHBondContact OG-OE1 3.01Å
3912N75.7Confident79.3Confident85 Ų8556.5 Ų56.546%0.45530%0.299SS..  trans-81.5123.9168.717020.6000109.3L3914 A3915N3912-L3914 PolarHBondContact O-N 3.14Å; N3912-L3914 PolarHBondContact OD1-N 3.06Å; N3912-A3915 HydrophobicContact CB-CB 4.22Å; N3912-A3915 VanDerWaalsContact O-CB 3.32Å; N3912-A3915 WeakPolarHBondContact O-CB 3.46Å; N3912-A3915 PolarHBondContact O-N 3.11Å
3913L79.9Confident79.6Confident13 Ų1351.1 Ų51.17%0.06828%0.277CS..THydrogen-bonded Turntrans-48.9-25.4-178.4-78.7163.2000115.7I3822 E3823 W3904I3822-L3913 HydrophobicContact CG2-CB 4.22Å; I3822-L3913 HydrophobicContact CG2-CD1 4.08Å; E3823-L3913 HydrophobicContact CG-CD1 4.14Å; W3904-L3913 HydrophobicContact CD2-CD2 3.74Å; W3904-L3913 HydrophobicContact CE3-CD2 4.09Å; W3904-L3913 HydrophobicContact CG-CD2 4.27Å; W3904-L3913 HydrophobicContact CH2-CD2 4.13Å; W3904-L3913 HydrophobicContact CZ2-CB 3.96Å; W3904-L3913 HydrophobicContact CZ2-CD2 3.76Å; W3904-L3913 HydrophobicContact CZ2-CG 4.37Å; W3904-L3913 HydrophobicContact CZ3-CD2 4.28Å; W3904-L3913 PolarHBondContact NE1-O 3.42Å; W3904-L3913 WeakPolarHBondContact O-CD2 3.29Å
3914L82.2Confident79.8Confident6 Ų647.6 Ų47.63%0.03126%0.261CS..THydrogen-bonded Turntrans-94-4.7178-70.1-177.1000115.2I3822 N3912 F3929 F3933 L3962 C3964I3822-L3914 HydrophobicContact CD1-CD1 3.54Å; I3822-L3914 HydrophobicContact CD1-CD2 3.67Å; I3822-L3914 HydrophobicContact CD1-CG 3.67Å; N3912-L3914 PolarHBondContact O-N 3.14Å; N3912-L3914 PolarHBondContact OD1-N 3.06Å; L3914-F3929 HydrophobicContact CD2-CZ 4.29Å; L3914-F3933 HydrophobicContact CD1-CD2 3.94Å; L3914-F3933 HydrophobicContact CD1-CE2 3.89Å; L3914-F3933 HydrophobicContact CD2-CD2 4.4Å; L3914-L3962 HydrophobicContact CD1-CD1 3.91Å; L3914-L3962 HydrophobicContact CD1-CD2 3.72Å; L3914-L3962 HydrophobicContact CD1-CG 3.72Å; L3914-C3964 HydrophobicContact CD2-CB 3.93Å
3915A78.2Confident80Confident75 Ų7551.6 Ų51.662%0.6228%0.276SS*.THydrogen-bonded Turntrans-82.3-25.3-177.200000113.1N3912N3912-A3915 HydrophobicContact CB-CB 4.22Å; N3912-A3915 VanDerWaalsContact O-CB 3.32Å; N3912-A3915 WeakPolarHBondContact O-CB 3.46Å; N3912-A3915 PolarHBondContact O-N 3.11Å
3916E78.3Confident80.3Confident64 Ų6450.3 Ų50.330%0.29927%0.269SS..SBendtrans-90.4158.9174.3-73.5175.3-13600111.3R3907 S3911 V3918R3907-E3916 WeakPolarHBondContact CD-OE2 3.46Å; R3907-E3916 IonicContact NH1-OE2 2.58Å; S3911-E3916 PolarHBondContact OG-OE1 3.01Å; E3916-V3918 PolarHBondContact O-N 3.37Å
3917P83.9Confident80.7Confident60 Ų6051 Ų5139%0.3927%0.272SS..PPolyproline II helixtrans-67.8127174.6-13.128.8000111.1R3965 I3967P3917-R3965 WeakPolarHBondContact CA-O 2.98Å; P3917-R3965 HydrophobicContact CB-CB 4.33Å; P3917-R3965 HydrophobicContact CB-CG 4.26Å; P3917-I3967 HydrophobicContact CB-CD1 4.35Å; P3917-I3967 HydrophobicContact CB-CG2 3.51Å
3918V87.3Confident81.1Confident1 Ų147.2 Ų47.21%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-103.2119.7-176.6176.10000109.7W3904 E3916 I3920 M3922 F3923 F3929 R3965 F3966 I3967W3904-V3918 HydrophobicContact CZ2-CG2 4.32Å; E3916-V3918 PolarHBondContact O-N 3.37Å; V3918-I3920 PolarHBondContact O-N 3.29Å; V3918-M3922 HydrophobicContact CG1-CE 4Å; V3918-F3923 HydrophobicContact CG1-CE2 3.81Å; V3918-F3923 HydrophobicContact CG1-CZ 3.95Å; V3918-F3929 HydrophobicContact CG1-CE2 4.44Å; V3918-F3929 HydrophobicContact CG1-CZ 4.09Å; V3918-R3965 PolarHBondContact N-O 3.13Å; V3918-F3966 HydrophobicContact CB-CD1 4.2Å; V3918-F3966 HydrophobicContact CB-CE1 4.4Å; V3918-F3966 WeakPolarHBondContact O-CA 3.34Å; V3918-I3967 PolarHBondContact O-N 2.77Å
3919N88.2Confident82.1Confident48 Ų4846.3 Ų46.326%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-82.7106.1166.3-1761.9000108.9S3921 M3922 I3967N3919-S3921 VanDerWaalsContact CG-OG 3.31Å; N3919-S3921 PolarHBondContact ND2-OG 2.97Å; N3919-S3921 PolarHBondContact O-N 3.33Å; N3919-S3921 VanDerWaalsContact O-N 3.15Å; N3919-S3921 WeakPolarHBondContact OD1-CB 3.33Å; N3919-S3921 PolarHBondContact OD1-N 2.71Å; N3919-S3921 VanDerWaalsContact OD1-N 3.08Å; N3919-S3921 PolarHBondContact OD1-OG 2.65Å; N3919-M3922 WeakPolarHBondContact O-CG 3.47Å; N3919-M3922 PolarHBondContact O-N 2.92Å; N3919-M3922 VanDerWaalsContact O-N 3.17Å; N3919-I3967 HydrophobicContact CB-CD1 4.17Å; N3919-I3967 HydrophobicContact CB-CG1 3.74Å; N3919-I3967 PolarHBondContact OD1-O 2.93Å
3920I88.1Confident83.2Confident2 Ų240.5 Ų40.51%0.0122%0.221CC..G310 helixtrans-62-25.2-178.2-59.4177.7000111.2V3918 M3922 F3923 P3926 F3929 L3930 F3966 L4052V3918-I3920 PolarHBondContact O-N 3.29Å; I3920-M3922 PolarHBondContact O-N 3.34Å; I3920-F3923 HydrophobicContact CG2-CD2 4.36Å; I3920-F3923 WeakPolarHBondContact O-CD2 3.42Å; I3920-F3923 PolarHBondContact O-N 2.8Å; I3920-P3926 HydrophobicContact CG2-CB 3.37Å; I3920-P3926 HydrophobicContact CG2-CG 4.47Å; I3920-F3929 HydrophobicContact CD1-CE1 4.49Å; I3920-F3929 HydrophobicContact CG1-CD1 4.48Å; I3920-F3929 HydrophobicContact CG1-CE1 4.29Å; I3920-L3930 HydrophobicContact CD1-CD2 4.45Å; I3920-F3966 HydrophobicContact CD1-CB 4.31Å; I3920-F3966 HydrophobicContact CD1-CD1 3.61Å; I3920-F3966 HydrophobicContact CD1-CD2 3.87Å; I3920-F3966 HydrophobicContact CD1-CE1 3.79Å; I3920-F3966 HydrophobicContact CD1-CE2 4.02Å; I3920-F3966 HydrophobicContact CD1-CG 3.67Å; I3920-F3966 HydrophobicContact CD1-CZ 3.99Å; I3920-F3966 HydrophobicContact CG1-CD1 3.64Å; I3920-F3966 HydrophobicContact CG1-CE1 3.94Å; I3920-F3966 HydrophobicContact CG1-CG 4.1Å; I3920-L4052 HydrophobicContact CB-CD1 4.44Å; I3920-L4052 HydrophobicContact CB-CD2 3.79Å; I3920-L4052 HydrophobicContact CG2-CD1 3.78Å; I3920-L4052 HydrophobicContact CG2-CD2 3.74Å; I3920-L4052 HydrophobicContact CG2-CG 4.44Å
3921S86.3Confident84.5Confident33 Ų3336.2 Ų36.223%0.23121%0.21CC..G310 helixtrans-68.4-12.2179.283.70000114.6K3897 N3919 F3923 L4052K3897-S3921 PolarHBondContact NZ-O 3.27Å; N3919-S3921 VanDerWaalsContact CG-OG 3.31Å; N3919-S3921 PolarHBondContact ND2-OG 2.97Å; N3919-S3921 PolarHBondContact O-N 3.33Å; N3919-S3921 VanDerWaalsContact O-N 3.15Å; N3919-S3921 WeakPolarHBondContact OD1-CB 3.33Å; N3919-S3921 PolarHBondContact OD1-N 2.71Å; N3919-S3921 VanDerWaalsContact OD1-N 3.08Å; N3919-S3921 PolarHBondContact OD1-OG 2.65Å; S3921-F3923 VanDerWaalsContact C-N 3.27Å; S3921-F3923 PolarHBondContact O-N 3.48Å; S3921-L4052 WeakPolarHBondContact CB-OXT 3.4Å
3922M88Confident85.7Confident18 Ų1834.7 Ų34.79%0.08920%0.199CC..G310 helixtrans-73.7-17.2173.879.7-161.5175.900113.6K3897 D3900 I3901 W3904 V3918 N3919 I3920K3897-M3922 VanDerWaalsContact CB-O 3.31Å; K3897-M3922 WeakPolarHBondContact CB-O 3.44Å; K3897-M3922 WeakPolarHBondContact CG-O 3.26Å; D3900-M3922 HydrophobicContact CB-CB 3.7Å; D3900-M3922 HydrophobicContact CB-CG 4.37Å; D3900-M3922 HydrophobicContact CB-SD 4.34Å; I3901-M3922 WeakPolarHBondContact CD1-O 3.43Å; W3904-M3922 HydrophobicContact CB-CE 3.86Å; W3904-M3922 HydrophobicContact CB-SD 4.48Å; W3904-M3922 HydrophobicContact CD2-CE 3.54Å; W3904-M3922 HydrophobicContact CE3-CE 3.98Å; W3904-M3922 HydrophobicContact CG-CE 3.49Å; W3904-M3922 VanDerWaalsContact CG-CE 3.49Å; V3918-M3922 HydrophobicContact CG1-CE 4Å; N3919-M3922 WeakPolarHBondContact O-CG 3.47Å; N3919-M3922 PolarHBondContact O-N 2.92Å; N3919-M3922 VanDerWaalsContact O-N 3.17Å; I3920-M3922 PolarHBondContact O-N 3.34Å
3923F90.5Very high86.4Confident0 Ų030.6 Ų30.60%018%0.177CC..  trans-81.9150.5-179.8-57.8-48000112.7F3825 E3829 K3897 I3901 W3904 V3918 I3920 S3921 P3926 F3929F3825-F3923 AromaticContact CE1-CD1 3.72Å; F3825-F3923 HydrophobicContact CE1-CD1 3.72Å; F3825-F3923 HydrophobicContact CE1-CD2 4.33Å; F3825-F3923 AromaticContact CE1-CE1 3.65Å; F3825-F3923 HydrophobicContact CE1-CE1 3.65Å; F3825-F3923 HydrophobicContact CE1-CE2 4.25Å; F3825-F3923 HydrophobicContact CE1-CG 4.08Å; F3825-F3923 AromaticContact CE1-CZ 3.92Å; F3825-F3923 HydrophobicContact CE1-CZ 3.92Å; F3825-F3923 HydrophobicContact CZ-CB 4.17Å; F3825-F3923 AromaticContact CZ-CD1 3.7Å; F3825-F3923 HydrophobicContact CZ-CD1 3.7Å; F3825-F3923 HydrophobicContact CZ-CD2 4.25Å; F3825-F3923 HydrophobicContact CZ-CE1 4.14Å; F3825-F3923 AromaticContact CZ-CG 3.77Å; F3825-F3923 HydrophobicContact CZ-CG 3.77Å; E3829-F3923 HydrophobicContact CG-CD1 4.37Å; K3897-F3923 PolarHBondContact NZ-O 3.29Å; I3901-F3923 HydrophobicContact CG1-CD1 4.18Å; W3904-F3923 HydrophobicContact CD2-CE1 4.42Å; W3904-F3923 HydrophobicContact CD2-CZ 4.4Å; W3904-F3923 AromaticContact CE3-CE1 3.69Å; W3904-F3923 HydrophobicContact CE3-CE1 3.69Å; W3904-F3923 AromaticContact CE3-CZ 3.99Å; W3904-F3923 HydrophobicContact CE3-CZ 3.99Å; W3904-F3923 HydrophobicContact CH2-CE1 4.04Å; W3904-F3923 AromaticContact CH2-CZ 3.66Å; W3904-F3923 HydrophobicContact CH2-CZ 3.66Å; W3904-F3923 HydrophobicContact CZ2-CZ 4.1Å; W3904-F3923 AromaticContact CZ3-CE1 3.47Å; W3904-F3923 HydrophobicContact CZ3-CE1 3.47Å; W3904-F3923 VanDerWaalsContact CZ3-CE1 3.47Å; W3904-F3923 AromaticContact CZ3-CZ 3.6Å; W3904-F3923 HydrophobicContact CZ3-CZ 3.6Å; V3918-F3923 HydrophobicContact CG1-CE2 3.81Å; V3918-F3923 HydrophobicContact CG1-CZ 3.95Å; I3920-F3923 HydrophobicContact CG2-CD2 4.36Å; I3920-F3923 WeakPolarHBondContact O-CD2 3.42Å; I3920-F3923 PolarHBondContact O-N 2.8Å; S3921-F3923 VanDerWaalsContact C-N 3.27Å; S3921-F3923 PolarHBondContact O-N 3.48Å; F3923-P3926 HydrophobicContact CB-CB 4.33Å; F3923-F3929 HydrophobicContact CD2-CB 3.84Å; F3923-F3929 HydrophobicContact CD2-CD1 4.37Å; F3923-F3929 HydrophobicContact CD2-CD2 4.29Å; F3923-F3929 AromaticContact CD2-CG 3.91Å; F3923-F3929 HydrophobicContact CD2-CG 3.91Å; F3923-F3929 HydrophobicContact CE2-CB 3.93Å; F3923-F3929 AromaticContact CE2-CD1 3.95Å; F3923-F3929 HydrophobicContact CE2-CD1 3.95Å; F3923-F3929 AromaticContact CE2-CD2 3.5Å; F3923-F3929 HydrophobicContact CE2-CD2 3.5Å; F3923-F3929 VanDerWaalsContact CE2-CD2 3.5Å; F3923-F3929 HydrophobicContact CE2-CE1 4.38Å; F3923-F3929 AromaticContact CE2-CE2 3.97Å; F3923-F3929 HydrophobicContact CE2-CE2 3.97Å; F3923-F3929 AromaticContact CE2-CG 3.49Å; F3923-F3929 HydrophobicContact CE2-CG 3.49Å; F3923-F3929 VanDerWaalsContact CE2-CG 3.49Å; F3923-F3929 HydrophobicContact CE2-CZ 4.39Å; F3923-F3929 AromaticContact CZ-CD2 3.8Å; F3923-F3929 HydrophobicContact CZ-CD2 3.8Å; F3923-F3929 HydrophobicContact CZ-CE2 4.15Å; F3923-F3929 HydrophobicContact CZ-CG 4.25Å
3924F88.8Confident86.8Confident9 Ų933.7 Ų33.74%0.03919%0.188CC..SBendtrans-81.7-28.8171-66.9-79.6000111.4E3829 L3832 A3833 L3836 W3881 M3894 K3897 I3901E3829-F3924 HydrophobicContact CG-CD2 4.37Å; E3829-F3924 WeakPolarHBondContact OE1-CA 3.48Å; E3829-F3924 PolarHBondContact OE1-N 3.14Å; L3832-F3924 HydrophobicContact CD2-CB 3.88Å; L3832-F3924 HydrophobicContact CD2-CG 4.46Å; A3833-F3924 HydrophobicContact CB-CE2 3.79Å; A3833-F3924 HydrophobicContact CB-CZ 4.43Å; L3836-F3924 HydrophobicContact CD2-CE1 4Å; L3836-F3924 HydrophobicContact CD2-CZ 4.47Å; W3881-F3924 HydrophobicContact CB-CD1 4.33Å; W3881-F3924 AromaticContact CD1-CD1 3.83Å; W3881-F3924 AromaticContact CD2-CD1 3.55Å; W3881-F3924 HydrophobicContact CD2-CD1 3.55Å; W3881-F3924 AromaticContact CD2-CE1 3.91Å; W3881-F3924 HydrophobicContact CD2-CE1 3.91Å; W3881-F3924 AromaticContact CE2-CD1 3.78Å; W3881-F3924 HydrophobicContact CE3-CD1 4.03Å; W3881-F3924 AromaticContact CE3-CE1 3.89Å; W3881-F3924 HydrophobicContact CE3-CE1 3.89Å; W3881-F3924 AromaticContact CG-CD1 3.64Å; W3881-F3924 HydrophobicContact CG-CD1 3.64Å; W3881-F3924 HydrophobicContact CG-CE1 4.38Å; W3881-F3924 HydrophobicContact CZ2-CD1 4.47Å; W3881-F3924 HydrophobicContact CZ3-CE1 4.26Å; W3881-F3924 AromaticContact NE1-CD1 3.89Å; M3894-F3924 HydrophobicContact CG-CE1 4.32Å; M3894-F3924 HydrophobicContact CG-CZ 4.3Å; K3897-F3924 HydrophobicContact CB-CE1 4.05Å; K3897-F3924 HydrophobicContact CB-CE2 3.89Å; K3897-F3924 HydrophobicContact CB-CZ 3.61Å; K3897-F3924 HydrophobicContact CD-CD1 3.71Å; K3897-F3924 HydrophobicContact CD-CE1 3.62Å; K3897-F3924 HydrophobicContact CD-CG 4.26Å; K3897-F3924 HydrophobicContact CD-CZ 4.07Å; I3901-F3924 HydrophobicContact CD1-CD2 3.58Å; I3901-F3924 HydrophobicContact CD1-CE2 3.61Å
3925R88.2Confident87.1Confident98 Ų9837.5 Ų37.537%0.3721%0.206SC..  trans-133.967.6-177.4-60.4174.8-63.1-159.1-5.6111.2K3828 E3829 L3832 E3927 A3928 F3929K3828-R3925 VanDerWaalsContact C-NH2 3.31Å; K3828-R3925 PolarHBondContact O-NH2 2.75Å; E3829-R3925 PolarHBondContact OE1-N 2.85Å; E3829-R3925 IonicContact OE2-CZ 3.94Å; E3829-R3925 IonicContact OE2-NE 2.6Å; E3829-R3925 PolarHBondContact OE2-NE 3.21Å; E3829-R3925 IonicContact OE2-NH2 2.64Å; E3829-R3925 PolarHBondContact OE2-NH2 2.77Å; L3832-R3925 HydrophobicContact CD2-CG 4.15Å; R3925-E3927 PolarHBondContact O-N 2.73Å; R3925-E3927 VanDerWaalsContact O-N 3.16Å; R3925-A3928 HydrophobicContact CB-CB 4.16Å; R3925-A3928 WeakPolarHBondContact O-CB 3.49Å; R3925-A3928 PolarHBondContact O-N 3.12Å; R3925-F3929 PolarHBondContact O-N 3.44Å
3926P88.3Confident87.5Confident3 Ų335.3 Ų35.32%0.01918%0.183CC..Hα-helixtrans-63.3-21.4-176.422.8-31.5000114.5I3920 F3923 A3928 F3929 L3930 Y4021 L4029 L4052I3920-P3926 HydrophobicContact CG2-CB 3.37Å; I3920-P3926 HydrophobicContact CG2-CG 4.47Å; F3923-P3926 HydrophobicContact CB-CB 4.33Å; P3926-A3928 VanDerWaalsContact C-N 3.27Å; P3926-A3928 PolarHBondContact O-N 3.44Å; P3926-F3929 WeakPolarHBondContact O-CB 3.46Å; P3926-F3929 PolarHBondContact O-N 3.38Å; P3926-L3930 PolarHBondContact O-N 2.73Å; P3926-Y4021 HydrophobicContact CG-CD2 3.57Å; P3926-Y4021 HydrophobicContact CG-CE2 3.88Å; P3926-L4029 HydrophobicContact CB-CD1 4.31Å; P3926-L4029 HydrophobicContact CG-CD1 4.07Å; P3926-L4029 HydrophobicContact CG-CD2 4.06Å; P3926-L4052 HydrophobicContact CB-CD1 3.99Å; P3926-L4052 HydrophobicContact CG-CD1 3.67Å
3927E86.2Confident87.9Confident97 Ų9732.2 Ų32.245%0.45317%0.168SC..Hα-helixtrans-59.6-37.8168.8-59.2179.6-171.300112.2R3925 L3930 S3931 L4029R3925-E3927 PolarHBondContact O-N 2.73Å; R3925-E3927 VanDerWaalsContact O-N 3.16Å; E3927-L3930 PolarHBondContact O-N 2.76Å; E3927-S3931 VanDerWaalsContact O-CB 3.27Å; E3927-S3931 WeakPolarHBondContact O-CB 3.43Å; E3927-S3931 PolarHBondContact O-N 2.87Å; E3927-S3931 PolarHBondContact O-OG 3.03Å; E3927-L4029 HydrophobicContact CG-CD2 3.38Å
3928A86.6Confident88.1Confident34 Ų3429.8 Ų29.828%0.28115%0.153SC..Hα-helixtrans-73.2-31.4176.900000111.7F3825 R3925 P3926 S3932F3825-A3928 HydrophobicContact CD2-CB 3.84Å; F3825-A3928 HydrophobicContact CE2-CB 3.88Å; R3925-A3928 HydrophobicContact CB-CB 4.16Å; R3925-A3928 WeakPolarHBondContact O-CB 3.49Å; R3925-A3928 PolarHBondContact O-N 3.12Å; P3926-A3928 VanDerWaalsContact C-N 3.27Å; P3926-A3928 PolarHBondContact O-N 3.44Å; A3928-S3932 VanDerWaalsContact O-CB 3.27Å; A3928-S3932 WeakPolarHBondContact O-CB 3.48Å; A3928-S3932 PolarHBondContact O-N 3.42Å; A3928-S3932 PolarHBondContact O-OG 3.06Å
3929F90.8Very high88Confident0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-62.8-53.6168.5172.4-100.6000111F3825 W3904 L3914 V3918 I3920 F3923 R3925 P3926 S3931 S3932 F3933 F3966F3825-F3929 HydrophobicContact CD1-CB 4.18Å; F3825-F3929 AromaticContact CD1-CD2 3.98Å; F3825-F3929 HydrophobicContact CD1-CD2 3.98Å; F3825-F3929 HydrophobicContact CE1-CB 3.67Å; F3825-F3929 AromaticContact CE1-CD2 3.8Å; F3825-F3929 HydrophobicContact CE1-CD2 3.8Å; F3825-F3929 HydrophobicContact CE1-CG 4.2Å; F3825-F3929 HydrophobicContact CE2-CB 4.12Å; F3825-F3929 HydrophobicContact CZ-CB 3.65Å; W3904-F3929 HydrophobicContact CH2-CD2 4.32Å; W3904-F3929 HydrophobicContact CH2-CE2 4.12Å; W3904-F3929 HydrophobicContact CZ2-CE2 4.28Å; L3914-F3929 HydrophobicContact CD2-CZ 4.29Å; V3918-F3929 HydrophobicContact CG1-CE2 4.44Å; V3918-F3929 HydrophobicContact CG1-CZ 4.09Å; I3920-F3929 HydrophobicContact CD1-CE1 4.49Å; I3920-F3929 HydrophobicContact CG1-CD1 4.48Å; I3920-F3929 HydrophobicContact CG1-CE1 4.29Å; F3923-F3929 HydrophobicContact CD2-CB 3.84Å; F3923-F3929 HydrophobicContact CD2-CD1 4.37Å; F3923-F3929 HydrophobicContact CD2-CD2 4.29Å; F3923-F3929 AromaticContact CD2-CG 3.91Å; F3923-F3929 HydrophobicContact CD2-CG 3.91Å; F3923-F3929 HydrophobicContact CE2-CB 3.93Å; F3923-F3929 AromaticContact CE2-CD1 3.95Å; F3923-F3929 HydrophobicContact CE2-CD1 3.95Å; F3923-F3929 AromaticContact CE2-CD2 3.5Å; F3923-F3929 HydrophobicContact CE2-CD2 3.5Å; F3923-F3929 VanDerWaalsContact CE2-CD2 3.5Å; F3923-F3929 HydrophobicContact CE2-CE1 4.38Å; F3923-F3929 AromaticContact CE2-CE2 3.97Å; F3923-F3929 HydrophobicContact CE2-CE2 3.97Å; F3923-F3929 AromaticContact CE2-CG 3.49Å; F3923-F3929 HydrophobicContact CE2-CG 3.49Å; F3923-F3929 VanDerWaalsContact CE2-CG 3.49Å; F3923-F3929 HydrophobicContact CE2-CZ 4.39Å; F3923-F3929 AromaticContact CZ-CD2 3.8Å; F3923-F3929 HydrophobicContact CZ-CD2 3.8Å; F3923-F3929 HydrophobicContact CZ-CE2 4.15Å; F3923-F3929 HydrophobicContact CZ-CG 4.25Å; R3925-F3929 PolarHBondContact O-N 3.44Å; P3926-F3929 WeakPolarHBondContact O-CB 3.46Å; P3926-F3929 PolarHBondContact O-N 3.38Å; F3929-S3931 VanDerWaalsContact C-N 3.3Å; F3929-S3931 PolarHBondContact O-N 2.94Å; F3929-S3932 PolarHBondContact O-N 3.2Å; F3929-S3932 VanDerWaalsContact O-N 3.11Å; F3929-F3933 WeakPolarHBondContact O-CB 3.29Å; F3929-F3933 PolarHBondContact O-N 2.85Å; F3929-F3966 AromaticContact CE1-CE1 3.55Å; F3929-F3966 HydrophobicContact CE1-CE1 3.55Å; F3929-F3966 AromaticContact CE1-CZ 3.82Å; F3929-F3966 HydrophobicContact CE1-CZ 3.82Å; F3929-F3966 AromaticContact CZ-CE1 3.89Å; F3929-F3966 HydrophobicContact CZ-CE1 3.89Å; F3929-F3966 HydrophobicContact CZ-CZ 4.36Å
3930L88.2Confident87.8Confident6 Ų641.7 Ų41.73%0.03120%0.204CC..Hα-helixtrans-59.2-40.9179.2-70.5177.9000111.9I3920 P3926 E3927 F3933 R3934 F3950 W4001 L4029 T4030I3920-L3930 HydrophobicContact CD1-CD2 4.45Å; P3926-L3930 PolarHBondContact O-N 2.73Å; E3927-L3930 PolarHBondContact O-N 2.76Å; L3930-F3933 PolarHBondContact O-N 2.85Å; L3930-R3934 WeakPolarHBondContact O-CB 3.43Å; L3930-R3934 PolarHBondContact O-N 3.37Å; L3930-F3950 HydrophobicContact CD2-CE2 3.82Å; L3930-F3950 HydrophobicContact CD2-CZ 3.86Å; L3930-W4001 HydrophobicContact CB-CZ2 4.5Å; L3930-W4001 PolarHBondContact O-NE1 3.34Å; L3930-L4029 HydrophobicContact CD1-CB 4.06Å; L3930-T4030 HydrophobicContact CD1-CG2 4.11Å
3931S88.1Confident87.6Confident61 Ų6143.7 Ų43.743%0.42721%0.213SC..Hα-helixtrans-64.5-39.8175.3-61.90000112.7E3927 F3929 R3934 Q3935E3927-S3931 VanDerWaalsContact O-CB 3.27Å; E3927-S3931 WeakPolarHBondContact O-CB 3.43Å; E3927-S3931 PolarHBondContact O-N 2.87Å; E3927-S3931 PolarHBondContact O-OG 3.03Å; F3929-S3931 VanDerWaalsContact C-N 3.3Å; F3929-S3931 PolarHBondContact O-N 2.94Å; S3931-R3934 WeakPolarHBondContact O-CB 3.21Å; S3931-R3934 PolarHBondContact O-N 3.4Å; S3931-Q3935 WeakPolarHBondContact O-CG 3.41Å; S3931-Q3935 PolarHBondContact O-N 3.36Å
3932S88.7Confident87.5Confident15 Ų1549.3 Ų49.311%0.10524%0.241CC..Hα-helixtrans-71.9-35.8177.2-56.90000111.6P3821 F3825 A3928 F3929 Q3935 Q3936P3821-S3932 WeakPolarHBondContact CB-O 3.05Å; F3825-S3932 WeakPolarHBondContact CB-OG 3.36Å; A3928-S3932 VanDerWaalsContact O-CB 3.27Å; A3928-S3932 WeakPolarHBondContact O-CB 3.48Å; A3928-S3932 PolarHBondContact O-N 3.42Å; A3928-S3932 PolarHBondContact O-OG 3.06Å; F3929-S3932 PolarHBondContact O-N 3.2Å; F3929-S3932 VanDerWaalsContact O-N 3.11Å; S3932-Q3935 PolarHBondContact O-N 3.22Å; S3932-Q3936 WeakPolarHBondContact O-CB 3.36Å; S3932-Q3936 PolarHBondContact O-N 3.28Å
3933F89.6Confident87.4Confident0 Ų051.3 Ų51.30%025%0.251CS..Hα-helixtrans-64.7-38.3171.4-179.4-144.9000112.1I3822 L3914 F3929 L3930 Q3936 T3937 F3950 L3962 C3964 F3966 W4001I3822-F3933 HydrophobicContact CD1-CB 4.27Å; I3822-F3933 HydrophobicContact CD1-CD2 4.24Å; L3914-F3933 HydrophobicContact CD1-CD2 3.94Å; L3914-F3933 HydrophobicContact CD1-CE2 3.89Å; L3914-F3933 HydrophobicContact CD2-CD2 4.4Å; F3929-F3933 WeakPolarHBondContact O-CB 3.29Å; F3929-F3933 PolarHBondContact O-N 2.85Å; L3930-F3933 PolarHBondContact O-N 2.85Å; F3933-Q3936 PolarHBondContact O-N 3.19Å; F3933-T3937 WeakPolarHBondContact O-CB 3.28Å; F3933-T3937 PolarHBondContact O-N 3.48Å; F3933-T3937 PolarHBondContact O-OG1 2.87Å; F3933-F3950 HydrophobicContact CD1-CE2 4.45Å; F3933-F3950 HydrophobicContact CE1-CE2 4.26Å; F3933-L3962 HydrophobicContact CD2-CD2 4.26Å; F3933-L3962 HydrophobicContact CE2-CD2 4.02Å; F3933-L3962 HydrophobicContact CE2-CG 4.11Å; F3933-L3962 WeakPolarHBondContact CE2-O 3.24Å; F3933-L3962 WeakPolarHBondContact CZ-O 3.35Å; F3933-C3964 HydrophobicContact CE1-CB 4.23Å; F3933-C3964 HydrophobicContact CE2-CB 4.37Å; F3933-C3964 HydrophobicContact CZ-CB 3.86Å; F3933-F3966 HydrophobicContact CD1-CZ 4.16Å; F3933-F3966 HydrophobicContact CE1-CE2 4.37Å; F3933-F3966 AromaticContact CE1-CZ 3.91Å; F3933-F3966 HydrophobicContact CE1-CZ 3.91Å; F3933-W4001 AromaticContact CD1-CD1 3.56Å; F3933-W4001 AromaticContact CD1-NE1 3.42Å; F3933-W4001 AromaticContact CE1-CD1 3.81Å; F3933-W4001 AromaticContact CG-CD1 3.85Å; F3933-W4001 AromaticContact CG-NE1 3.81Å
3934R88.7Confident87.1Confident77 Ų7753 Ų5329%0.29127%0.268SS..Hα-helixtrans-60.8-48170.6-167.5179.7-175.5162.54.7111.4L3930 S3931 T3937 A3938 L3945 L3948 W4001L3930-R3934 WeakPolarHBondContact O-CB 3.43Å; L3930-R3934 PolarHBondContact O-N 3.37Å; S3931-R3934 WeakPolarHBondContact O-CB 3.21Å; S3931-R3934 PolarHBondContact O-N 3.4Å; R3934-T3937 PolarHBondContact O-N 2.84Å; R3934-A3938 WeakPolarHBondContact O-CB 3.19Å; R3934-A3938 PolarHBondContact O-N 3.35Å; R3934-L3945 HydrophobicContact CG-CD2 4.09Å; R3934-L3945 PolarHBondContact NE-O 2.86Å; R3934-L3945 PolarHBondContact NH2-O 2.84Å; R3934-L3948 HydrophobicContact CG-CB 4.48Å; R3934-L3948 HydrophobicContact CG-CD1 4.19Å; R3934-L3948 PolarHBondContact NH2-O 3.13Å; R3934-W4001 HydrophobicContact CB-CD2 3.83Å; R3934-W4001 HydrophobicContact CB-CE3 4.29Å; R3934-W4001 HydrophobicContact CB-CG 4.3Å; R3934-W4001 HydrophobicContact CB-CH2 4.24Å; R3934-W4001 HydrophobicContact CB-CZ2 3.76Å; R3934-W4001 HydrophobicContact CB-CZ3 4.47Å; R3934-W4001 HydrophobicContact CG-CD2 3.74Å; R3934-W4001 HydrophobicContact CG-CE3 3.72Å; R3934-W4001 HydrophobicContact CG-CG 4.36Å; R3934-W4001 HydrophobicContact CG-CH2 4.11Å; R3934-W4001 HydrophobicContact CG-CZ2 4.11Å; R3934-W4001 HydrophobicContact CG-CZ3 3.9Å
3935Q87.7Confident86.7Confident87 Ų8756.3 Ų56.341%0.40729%0.286SS..Hα-helixtrans-61.5-43.6176.9-71.9173.710.500112.6P3821 S3931 S3932 T3937 A3938 L3939 L3945P3821-Q3935 HydrophobicContact CB-CB 4.01Å; P3821-Q3935 HydrophobicContact CG-CB 4.02Å; S3931-Q3935 WeakPolarHBondContact O-CG 3.41Å; S3931-Q3935 PolarHBondContact O-N 3.36Å; S3932-Q3935 PolarHBondContact O-N 3.22Å; Q3935-T3937 VanDerWaalsContact C-N 3.33Å; Q3935-T3937 PolarHBondContact O-N 2.62Å; Q3935-A3938 PolarHBondContact O-N 3.27Å; Q3935-L3939 WeakPolarHBondContact O-CB 3.24Å; Q3935-L3939 VanDerWaalsContact O-CG 3.28Å; Q3935-L3939 WeakPolarHBondContact O-CG 3.36Å; Q3935-L3939 PolarHBondContact O-N 2.85Å; Q3935-L3945 HydrophobicContact CB-CD2 4.37Å; Q3935-L3945 HydrophobicContact CG-CD1 4.46Å; Q3935-L3945 HydrophobicContact CG-CD2 3.81Å
3936Q87.4Confident86.5Confident28 Ų2857.4 Ų57.413%0.13130%0.299CS..Hα-helixtrans-67.9-34.3178.6-168153.8-35.200112.2S3820 P3821 I3822 S3932 F3933 R3940 L3962S3820-Q3936 VanDerWaalsContact CB-OE1 3.3Å; S3820-Q3936 PolarHBondContact OG-OE1 2.97Å; P3821-Q3936 HydrophobicContact CB-CB 4.29Å; P3821-Q3936 HydrophobicContact CG-CB 4.09Å; I3822-Q3936 VanDerWaalsContact CB-OE1 3.31Å; I3822-Q3936 HydrophobicContact CD1-CB 4.28Å; I3822-Q3936 HydrophobicContact CD1-CG 4.47Å; I3822-Q3936 HydrophobicContact CG1-CB 4.41Å; I3822-Q3936 VanDerWaalsContact CG1-OE1 3.23Å; S3932-Q3936 WeakPolarHBondContact O-CB 3.36Å; S3932-Q3936 PolarHBondContact O-N 3.28Å; F3933-Q3936 PolarHBondContact O-N 3.19Å; Q3936-R3940 VanDerWaalsContact O-CB 3.31Å; Q3936-R3940 WeakPolarHBondContact O-CB 3.47Å; Q3936-R3940 PolarHBondContact O-N 3.39Å; Q3936-L3962 HydrophobicContact CB-CD2 4.37Å; Q3936-L3962 HydrophobicContact CG-CD2 4.03Å
3937T87.1Confident86.2Confident0 Ų061.9 Ų61.90%032%0.321CS..Hα-helixtrans-71.4-44173.9-50.80000111.7F3933 R3934 Q3935 L3939 R3940 Q3941 W4001F3933-T3937 WeakPolarHBondContact O-CB 3.28Å; F3933-T3937 PolarHBondContact O-N 3.48Å; F3933-T3937 PolarHBondContact O-OG1 2.87Å; R3934-T3937 PolarHBondContact O-N 2.84Å; Q3935-T3937 VanDerWaalsContact C-N 3.33Å; Q3935-T3937 PolarHBondContact O-N 2.62Å; T3937-L3939 PolarHBondContact O-N 3.46Å; T3937-R3940 PolarHBondContact O-N 2.85Å; T3937-R3940 VanDerWaalsContact O-N 3.13Å; T3937-Q3941 HydrophobicContact CG2-CG 4.14Å; T3937-Q3941 WeakPolarHBondContact O-CB 3.04Å; T3937-Q3941 WeakPolarHBondContact O-CG 3Å; T3937-Q3941 PolarHBondContact O-N 2.84Å; T3937-W4001 HydrophobicContact CG2-CB 3.86Å; T3937-W4001 WeakPolarHBondContact CG2-O 3.47Å
3938A86.4Confident86.2Confident9 Ų957.5 Ų57.57%0.07430%0.301CS..Hα-helixtrans-56.8-47.2175.100000112.3R3934 Q3935 R3940 Q3941 N3942 I3943 L3945 L3948R3934-A3938 WeakPolarHBondContact O-CB 3.19Å; R3934-A3938 PolarHBondContact O-N 3.35Å; Q3935-A3938 PolarHBondContact O-N 3.27Å; A3938-R3940 VanDerWaalsContact C-N 3.3Å; A3938-R3940 PolarHBondContact O-N 3.24Å; A3938-Q3941 PolarHBondContact O-N 3.39Å; A3938-N3942 WeakPolarHBondContact O-CA 3.23Å; A3938-N3942 PolarHBondContact O-N 3.19Å; A3938-I3943 WeakPolarHBondContact CB-O 3.46Å; A3938-I3943 PolarHBondContact O-N 2.89Å; A3938-L3945 HydrophobicContact CB-CD2 3.73Å; A3938-L3945 HydrophobicContact CB-CG 4.4Å; A3938-L3948 HydrophobicContact CB-CD1 3.76Å
3939L86.4Confident86Confident133 Ų13358.9 Ų58.970%0.69631%0.306SS*.Hα-helixtrans-63.9-31.9176.2-71.8170.4000113.2P3821 Q3935 T3937P3821-L3939 HydrophobicContact CG-CD1 3.86Å; Q3935-L3939 WeakPolarHBondContact O-CB 3.24Å; Q3935-L3939 VanDerWaalsContact O-CG 3.28Å; Q3935-L3939 WeakPolarHBondContact O-CG 3.36Å; Q3935-L3939 PolarHBondContact O-N 2.85Å; T3937-L3939 PolarHBondContact O-N 3.46Å
3940R83.8Confident85.8Confident166 Ų16659.4 Ų59.463%0.62631%0.308SS*.Hα-helixtrans-83.3-30.2-180-176170.9169.4124.6-3.6113.5Q3936 T3937 A3938 S3961Q3936-R3940 VanDerWaalsContact O-CB 3.31Å; Q3936-R3940 WeakPolarHBondContact O-CB 3.47Å; Q3936-R3940 PolarHBondContact O-N 3.39Å; T3937-R3940 PolarHBondContact O-N 2.85Å; T3937-R3940 VanDerWaalsContact O-N 3.13Å; A3938-R3940 VanDerWaalsContact C-N 3.3Å; A3938-R3940 PolarHBondContact O-N 3.24Å; R3940-S3961 PolarHBondContact NE-O 2.87Å; R3940-S3961 PolarHBondContact NH2-O 3.41Å
3941Q84.1Confident85.5Confident43 Ų4360.3 Ų60.320%0.20131%0.312CS..Hα-helixtrans-90.5-14.3175.3-64.2-178.212.700112.9T3937 A3938 I3943 S3961 W4001T3937-Q3941 HydrophobicContact CG2-CG 4.14Å; T3937-Q3941 WeakPolarHBondContact O-CB 3.04Å; T3937-Q3941 WeakPolarHBondContact O-CG 3Å; T3937-Q3941 PolarHBondContact O-N 2.84Å; A3938-Q3941 PolarHBondContact O-N 3.39Å; Q3941-I3943 HydrophobicContact CB-CB 4.37Å; Q3941-I3943 HydrophobicContact CB-CD1 3.98Å; Q3941-I3943 HydrophobicContact CB-CG1 4.15Å; Q3941-S3961 WeakPolarHBondContact CG-OG 3.16Å; Q3941-S3961 PolarHBondContact NE2-OG 3.26Å; Q3941-W4001 PolarHBondContact NE2-O 3.48Å; Q3941-W4001 VanDerWaalsContact NE2-O 3.15Å
3942N83.5Confident85.3Confident152 Ų15257.5 Ų57.581%0.81329%0.292SS*.THydrogen-bonded Turntrans57.847.6-171.5-165.349.8000112.9A3938A3938-N3942 WeakPolarHBondContact O-CA 3.23Å; A3938-N3942 PolarHBondContact O-N 3.19Å
3943I85.5Confident85Confident59 Ų5957.8 Ų57.830%0.30330%0.296SS..  trans-127.3148.5-175.8-68.5175.6000109.5A3938 Q3941 M3947 L3948 P4003A3938-I3943 WeakPolarHBondContact CB-O 3.46Å; A3938-I3943 PolarHBondContact O-N 2.89Å; Q3941-I3943 HydrophobicContact CB-CB 4.37Å; Q3941-I3943 HydrophobicContact CB-CD1 3.98Å; Q3941-I3943 HydrophobicContact CB-CG1 4.15Å; I3943-M3947 HydrophobicContact CG2-CB 3.68Å; I3943-L3948 HydrophobicContact CG2-CD2 4.29Å; I3943-L3948 HydrophobicContact CG2-CG 4.49Å; I3943-P4003 HydrophobicContact CD1-CB 4.21Å; I3943-P4003 HydrophobicContact CD1-CG 3.69Å
3944G84.3Confident84.6Confident35 Ų3560.3 Ų60.336%0.36131%0.305SS..  trans-60.4145.917600000113D3946 M3947G3944-D3946 VanDerWaalsContact C-N 3.29Å; G3944-D3946 VanDerWaalsContact C-OD1 3.27Å; G3944-D3946 WeakPolarHBondContact CA-OD1 3.22Å; G3944-D3946 PolarHBondContact O-N 2.94Å; G3944-M3947 PolarHBondContact O-N 2.8Å; G3944-M3947 VanDerWaalsContact O-N 3.13Å
3945L82.2Confident83.7Confident79 Ų7959.6 Ų59.641%0.41431%0.312SS..SBendtrans-59.2-41.3-178.5-71.2168.5000112.3R3934 Q3935 A3938 M3947 L3948R3934-L3945 HydrophobicContact CG-CD2 4.09Å; R3934-L3945 PolarHBondContact NE-O 2.86Å; R3934-L3945 PolarHBondContact NH2-O 2.84Å; Q3935-L3945 HydrophobicContact CB-CD2 4.37Å; Q3935-L3945 HydrophobicContact CG-CD1 4.46Å; Q3935-L3945 HydrophobicContact CG-CD2 3.81Å; A3938-L3945 HydrophobicContact CB-CD2 3.73Å; A3938-L3945 HydrophobicContact CB-CG 4.4Å; L3945-M3947 VanDerWaalsContact C-N 3.28Å; L3945-M3947 PolarHBondContact O-N 3.15Å; L3945-L3948 PolarHBondContact O-N 2.9Å
3946D82.8Confident82.4Confident122 Ų12261.7 Ų61.765%0.65233%0.326SS*.THydrogen-bonded Turntrans-59-35.9175.958.2-37.2000112.9G3944 L3948G3944-D3946 VanDerWaalsContact C-N 3.29Å; G3944-D3946 VanDerWaalsContact C-OD1 3.27Å; G3944-D3946 WeakPolarHBondContact CA-OD1 3.22Å; G3944-D3946 PolarHBondContact O-N 2.94Å; D3946-L3948 PolarHBondContact O-N 3.34Å
3947M83.2Confident80.8Confident97 Ų9767.3 Ų67.348%0.47836%0.357SS..THydrogen-bonded Turntrans-8114.2179.4-63.2-66.8-71.800114I3943 G3944 L3945 P4003 S4004I3943-M3947 HydrophobicContact CG2-CB 3.68Å; G3944-M3947 PolarHBondContact O-N 2.8Å; G3944-M3947 VanDerWaalsContact O-N 3.13Å; L3945-M3947 VanDerWaalsContact C-N 3.28Å; L3945-M3947 PolarHBondContact O-N 3.15Å; M3947-P4003 CarbonylContact O-C 3.33Å; M3947-P4003 VanDerWaalsContact O-CA 3.31Å; M3947-P4003 WeakPolarHBondContact O-CA 3.42Å; M3947-S4004 VanDerWaalsContact C-OG 3.24Å; M3947-S4004 PolarHBondContact O-N 3.02Å; M3947-S4004 PolarHBondContact O-OG 3Å
3948L85.1Confident79.2Confident4 Ų469.5 Ų69.52%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-115.6132.9175.8-67.7178.9000112.5R3934 A3938 I3943 L3945 D3946 W4001 L4002R3934-L3948 HydrophobicContact CG-CB 4.48Å; R3934-L3948 HydrophobicContact CG-CD1 4.19Å; R3934-L3948 PolarHBondContact NH2-O 3.13Å; A3938-L3948 HydrophobicContact CB-CD1 3.76Å; I3943-L3948 HydrophobicContact CG2-CD2 4.29Å; I3943-L3948 HydrophobicContact CG2-CG 4.49Å; L3945-L3948 PolarHBondContact O-N 2.9Å; D3946-L3948 PolarHBondContact O-N 3.34Å; L3948-W4001 HydrophobicContact CB-CB 4.33Å; L3948-W4001 HydrophobicContact CB-CE3 4.03Å; L3948-W4001 HydrophobicContact CD1-CB 4.18Å; L3948-W4001 HydrophobicContact CD2-CB 4.5Å; L3948-L4002 WeakPolarHBondContact CA-O 3.24Å
3949V82.6Confident77.6Confident64 Ų6475.5 Ų75.539%0.38841%0.41SS..EExtended strand (participates in β ladder)trans-114.3137.8174.6-176.10000109.3W4001 L4002V3949-W4001 WeakPolarHBondContact O-CA 3.36Å; V3949-L4002 PolarHBondContact N-O 3.01Å; V3949-L4002 PolarHBondContact O-N 2.86Å
3950F86.1Confident76.6Confident11 Ų1170.7 Ų70.75%0.04839%0.385CS..EExtended strand (participates in β ladder)trans-81.2135.2175.6-174.8-110.5000110.6L3930 F3933 L3952 F3966 T4000 W4001 T4030 V4032L3930-F3950 HydrophobicContact CD2-CE2 3.82Å; L3930-F3950 HydrophobicContact CD2-CZ 3.86Å; F3933-F3950 HydrophobicContact CD1-CE2 4.45Å; F3933-F3950 HydrophobicContact CE1-CE2 4.26Å; F3950-L3952 HydrophobicContact CE1-CD2 3.71Å; F3950-L3952 HydrophobicContact CE1-CG 4.16Å; F3950-L3952 HydrophobicContact CZ-CD2 3.62Å; F3950-F3966 AromaticContact CE2-CE2 3.99Å; F3950-F3966 HydrophobicContact CE2-CE2 3.99Å; F3950-F3966 HydrophobicContact CZ-CD2 4.44Å; F3950-F3966 AromaticContact CZ-CE2 3.76Å; F3950-F3966 HydrophobicContact CZ-CE2 3.76Å; F3950-T4000 WeakPolarHBondContact CA-O 3.24Å; F3950-W4001 HydrophobicContact CB-CD2 4.15Å; F3950-W4001 HydrophobicContact CB-CE3 3.9Å; F3950-W4001 HydrophobicContact CB-CH2 3.8Å; F3950-W4001 HydrophobicContact CB-CZ2 4.04Å; F3950-W4001 HydrophobicContact CB-CZ3 3.73Å; F3950-W4001 HydrophobicContact CD2-CD2 4.11Å; F3950-W4001 AromaticContact CD2-CE2 3.69Å; F3950-W4001 HydrophobicContact CD2-CG 4.47Å; F3950-W4001 AromaticContact CD2-CZ2 3.93Å; F3950-W4001 HydrophobicContact CD2-CZ2 3.93Å; F3950-W4001 AromaticContact CD2-NE1 3.82Å; F3950-W4001 HydrophobicContact CG-CH2 4.49Å; F3950-W4001 HydrophobicContact CG-CZ2 4.29Å; F3950-T4030 HydrophobicContact CD1-CG2 3.71Å; F3950-T4030 HydrophobicContact CE1-CG2 3.75Å; F3950-V4032 HydrophobicContact CD1-CG2 4.37Å; F3950-V4032 HydrophobicContact CE1-CG2 4.16Å
3951Q81.9Confident75.8Confident24 Ų2465 Ų6511%0.11237%0.371CS..EExtended strand (participates in β ladder)trans-135.1143.7169.6-68.4-164.60.100110.7G3999 T4000 L4002 N4008Q3951-G3999 WeakPolarHBondContact O-CA 3.34Å; Q3951-T4000 PolarHBondContact N-O 3.15Å; Q3951-T4000 PolarHBondContact O-N 3.22Å; Q3951-L4002 HydrophobicContact CB-CD1 4.37Å; Q3951-L4002 HydrophobicContact CG-CD1 4.42Å; Q3951-N4008 PolarHBondContact OE1-ND2 2.68Å
3952L85.1Confident75.5Confident2 Ų263.4 Ų63.41%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-96147.9159.5-60.3-167.4000109.8F3950 W3954 F3966 L3969 A3997 V3998 G3999 R4010 V4032F3950-L3952 HydrophobicContact CE1-CD2 3.71Å; F3950-L3952 HydrophobicContact CE1-CG 4.16Å; F3950-L3952 HydrophobicContact CZ-CD2 3.62Å; L3952-W3954 HydrophobicContact CB-CH2 3.76Å; L3952-W3954 HydrophobicContact CB-CZ2 4.17Å; L3952-W3954 HydrophobicContact CB-CZ3 4.06Å; L3952-W3954 HydrophobicContact CD1-CH2 4.18Å; L3952-W3954 HydrophobicContact CD1-CZ2 4.09Å; L3952-F3966 HydrophobicContact CD2-CD2 3.85Å; L3952-F3966 HydrophobicContact CD2-CE2 4.24Å; L3952-L3969 HydrophobicContact CD1-CD1 3.78Å; L3952-A3997 HydrophobicContact CB-CB 4.21Å; L3952-A3997 HydrophobicContact CD1-CB 3.92Å; L3952-A3997 HydrophobicContact CD2-CB 4.42Å; L3952-A3997 HydrophobicContact CG-CB 4.41Å; L3952-V3998 CarbonylContact C-O 3.46Å; L3952-G3999 VanDerWaalsContact CD2-CA 3.49Å; L3952-R4010 PolarHBondContact O-NH2 2.86Å; L3952-V4032 HydrophobicContact CB-CG1 3.88Å; L3952-V4032 HydrophobicContact CD1-CG1 3.79Å; L3952-V4032 HydrophobicContact CD1-CG2 4.28Å; L3952-V4032 HydrophobicContact CG-CG1 3.68Å; L3952-V4032 HydrophobicContact CG-CG2 4.27Å
3953A80.9Confident75.6Confident22 Ų2259 Ų5918%0.18234%0.343CS..EExtended strand (participates in β ladder)trans-137.5137174.900000110.7V3998A3953-V3998 PolarHBondContact N-O 3.04Å; A3953-V3998 PolarHBondContact O-N 3.23Å
3954W81.4Confident75.6Confident52 Ų5256.2 Ų56.220%0.19733%0.329CS..SBendtrans-1088.2179.3-67.3-88.2000113.5L3952 F3976 G3978 V3994 P3995 A3997 V4032 I4034L3952-W3954 HydrophobicContact CB-CH2 3.76Å; L3952-W3954 HydrophobicContact CB-CZ2 4.17Å; L3952-W3954 HydrophobicContact CB-CZ3 4.06Å; L3952-W3954 HydrophobicContact CD1-CH2 4.18Å; L3952-W3954 HydrophobicContact CD1-CZ2 4.09Å; W3954-F3976 AromaticContact CD1-CE1 3.9Å; W3954-F3976 AromaticContact CD2-CE1 3.52Å; W3954-F3976 HydrophobicContact CD2-CE1 3.52Å; W3954-F3976 AromaticContact CD2-CZ 3.85Å; W3954-F3976 HydrophobicContact CD2-CZ 3.85Å; W3954-F3976 AromaticContact CE2-CE1 3.54Å; W3954-F3976 HydrophobicContact CE3-CE1 4.02Å; W3954-F3976 AromaticContact CE3-CZ 3.87Å; W3954-F3976 HydrophobicContact CE3-CZ 3.87Å; W3954-F3976 AromaticContact CG-CE1 3.75Å; W3954-F3976 HydrophobicContact CG-CE1 3.75Å; W3954-F3976 HydrophobicContact CG-CZ 4.27Å; W3954-F3976 HydrophobicContact CZ2-CE1 4.08Å; W3954-F3976 HydrophobicContact CZ3-CZ 4.28Å; W3954-F3976 AromaticContact NE1-CE1 3.74Å; W3954-G3978 VanDerWaalsContact CB-O 3.29Å; W3954-G3978 WeakPolarHBondContact CB-O 3.46Å; W3954-V3994 HydrophobicContact CZ2-CG1 4.21Å; W3954-P3995 PolarHBondContact NE1-O 3.31Å; W3954-A3997 HydrophobicContact CD2-CB 4.5Å; W3954-A3997 HydrophobicContact CZ2-CB 4.04Å; W3954-V4032 HydrophobicContact CH2-CG1 4.3Å; W3954-I4034 HydrophobicContact CH2-CG1 4.27Å; W3954-I4034 HydrophobicContact CH2-CG2 4.44Å
3955S70.2Confident75.8Confident62 Ų6260 Ų6043%0.43433%0.333SS..SBendtrans-122.8153165.2-164.10000111.1D3957S3955-D3957 VanDerWaalsContact C-N 3.3Å; S3955-D3957 WeakPolarHBondContact CB-OD2 3.25Å; S3955-D3957 PolarHBondContact O-N 2.8Å; S3955-D3957 VanDerWaalsContact OG-CG 3.28Å; S3955-D3957 PolarHBondContact OG-OD2 2.78Å
3956N60.5Low76Confident132 Ų13256.3 Ų56.371%0.70631%0.313SS*.SBendtrans-81.5-4.8-179.3-64.2-44.2000113.5S3958N3956-S3958 PolarHBondContact O-N 2.81Å
3957D54.6Low76.4Confident146 Ų14652.9 Ų52.978%0.78129%0.294SS*.  trans-73.619-163-53.3-48.1000116.3S3955S3955-D3957 VanDerWaalsContact C-N 3.3Å; S3955-D3957 WeakPolarHBondContact CB-OD2 3.25Å; S3955-D3957 PolarHBondContact O-N 2.8Å; S3955-D3957 VanDerWaalsContact OG-CG 3.28Å; S3955-D3957 PolarHBondContact OG-OD2 2.78Å
3958S52.7Low76.5Confident45 Ų4549.2 Ų49.232%0.31528%0.281SS..SBendtrans-130.9134.8-176.557.90000113.7N3956 I3960N3956-S3958 PolarHBondContact O-N 2.81Å; S3958-I3960 PolarHBondContact O-N 2.98Å
3959P52.9Low76.8Confident135 Ų13549.2 Ų49.288%0.87728%0.281SS*.  trans-77.384.9-179.831.5-34.8000110.9
3960I64.7Low77.2Confident32 Ų3249.7 Ų49.716%0.16428%0.276CS..  trans-86.8132.6-178.6-63.1168.1000110.2S3958 P3963 V3998 T4000S3958-I3960 PolarHBondContact O-N 2.98Å; I3960-P3963 HydrophobicContact CB-CB 4.18Å; I3960-P3963 HydrophobicContact CB-CG 4.43Å; I3960-P3963 HydrophobicContact CG2-CB 3.81Å; I3960-P3963 HydrophobicContact CG2-CG 4.29Å; I3960-V3998 HydrophobicContact CD1-CG1 4.06Å; I3960-T4000 HydrophobicContact CD1-CG2 3.99Å; I3960-T4000 HydrophobicContact CG1-CG2 4.23Å; I3960-T4000 VanDerWaalsContact CG2-CB 3.48Å; I3960-T4000 HydrophobicContact CG2-CG2 3.78Å; I3960-T4000 WeakPolarHBondContact CG2-OG1 3.35Å
3961S66.8Low77.4Confident47 Ų4749.2 Ų49.233%0.32927%0.274SS..SBendtrans-78.1-20.8-173.970.30000115.2R3940 Q3941R3940-S3961 PolarHBondContact NE-O 2.87Å; R3940-S3961 PolarHBondContact NH2-O 3.41Å; Q3941-S3961 WeakPolarHBondContact CG-OG 3.16Å; Q3941-S3961 PolarHBondContact NE2-OG 3.26Å
3962L79.5Confident77.7Confident9 Ų949.5 Ų49.55%0.04728%0.275CS..SBendtrans-154.974.9174.2-16668.7000110.6L3914 F3933 Q3936 T4000L3914-L3962 HydrophobicContact CD1-CD1 3.91Å; L3914-L3962 HydrophobicContact CD1-CD2 3.72Å; L3914-L3962 HydrophobicContact CD1-CG 3.72Å; F3933-L3962 HydrophobicContact CD2-CD2 4.26Å; F3933-L3962 HydrophobicContact CE2-CD2 4.02Å; F3933-L3962 HydrophobicContact CE2-CG 4.11Å; F3933-L3962 WeakPolarHBondContact CE2-O 3.24Å; F3933-L3962 WeakPolarHBondContact CZ-O 3.35Å; Q3936-L3962 HydrophobicContact CB-CD2 4.37Å; Q3936-L3962 HydrophobicContact CG-CD2 4.03Å; L3962-T4000 PolarHBondContact O-OG1 3.34Å
3963P84.4Confident77.7Confident61 Ų6150.2 Ų50.240%0.39628%0.283SS..  trans-74.5147.8175.830.1-32.2000110.9I3960 V3998I3960-P3963 HydrophobicContact CB-CB 4.18Å; I3960-P3963 HydrophobicContact CB-CG 4.43Å; I3960-P3963 HydrophobicContact CG2-CB 3.81Å; I3960-P3963 HydrophobicContact CG2-CG 4.29Å; P3963-V3998 HydrophobicContact CB-CG1 3.49Å; P3963-V3998 VanDerWaalsContact CB-CG1 3.49Å
3964C86.2Confident78Confident0 Ų049.2 Ų49.20%028%0.275CS..EExtended strand (participates in β ladder)trans-127.5132.7165-171.50000108.5L3914 F3933 F3966 V3998 G3999L3914-C3964 HydrophobicContact CD2-CB 3.93Å; F3933-C3964 HydrophobicContact CE1-CB 4.23Å; F3933-C3964 HydrophobicContact CE2-CB 4.37Å; F3933-C3964 HydrophobicContact CZ-CB 3.86Å; C3964-F3966 HydrophobicContact CB-CE1 3.78Å; C3964-F3966 HydrophobicContact CB-CZ 3.85Å; C3964-F3966 WeakPolarHBondContact SG-CE1 3.46Å; C3964-V3998 CarbonylContact O-C 3.56Å; C3964-V3998 WeakPolarHBondContact O-CA 3.31Å; C3964-G3999 PolarHBondContact N-O 3.12Å; C3964-G3999 PolarHBondContact O-N 2.94Å
3965R87.4Confident78.2Confident115 Ų11548.6 Ų48.643%0.43428%0.277SS..EExtended strand (participates in β ladder)trans-82.4126.5171.6-175.2176.3-64.8130.43.9108.8P3917 V3918 I3967 D3996 A3997P3917-R3965 WeakPolarHBondContact CA-O 2.98Å; P3917-R3965 HydrophobicContact CB-CB 4.33Å; P3917-R3965 HydrophobicContact CB-CG 4.26Å; V3918-R3965 PolarHBondContact N-O 3.13Å; R3965-I3967 HydrophobicContact CG-CG2 4.29Å; R3965-D3996 HydrophobicContact CG-CB 4.25Å; R3965-A3997 CarbonylContact C-O 3.53Å
3966F88Confident79Confident1 Ų146 Ų460%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-106.3134.5173.5-59.4-43.2000110.3V3918 I3920 F3929 F3933 F3950 L3952 C3964 L3969 D3996 A3997V3918-F3966 HydrophobicContact CB-CD1 4.2Å; V3918-F3966 HydrophobicContact CB-CE1 4.4Å; V3918-F3966 WeakPolarHBondContact O-CA 3.34Å; I3920-F3966 HydrophobicContact CD1-CB 4.31Å; I3920-F3966 HydrophobicContact CD1-CD1 3.61Å; I3920-F3966 HydrophobicContact CD1-CD2 3.87Å; I3920-F3966 HydrophobicContact CD1-CE1 3.79Å; I3920-F3966 HydrophobicContact CD1-CE2 4.02Å; I3920-F3966 HydrophobicContact CD1-CG 3.67Å; I3920-F3966 HydrophobicContact CD1-CZ 3.99Å; I3920-F3966 HydrophobicContact CG1-CD1 3.64Å; I3920-F3966 HydrophobicContact CG1-CE1 3.94Å; I3920-F3966 HydrophobicContact CG1-CG 4.1Å; F3929-F3966 AromaticContact CE1-CE1 3.55Å; F3929-F3966 HydrophobicContact CE1-CE1 3.55Å; F3929-F3966 AromaticContact CE1-CZ 3.82Å; F3929-F3966 HydrophobicContact CE1-CZ 3.82Å; F3929-F3966 AromaticContact CZ-CE1 3.89Å; F3929-F3966 HydrophobicContact CZ-CE1 3.89Å; F3929-F3966 HydrophobicContact CZ-CZ 4.36Å; F3933-F3966 HydrophobicContact CD1-CZ 4.16Å; F3933-F3966 HydrophobicContact CE1-CE2 4.37Å; F3933-F3966 AromaticContact CE1-CZ 3.91Å; F3933-F3966 HydrophobicContact CE1-CZ 3.91Å; F3950-F3966 AromaticContact CE2-CE2 3.99Å; F3950-F3966 HydrophobicContact CE2-CE2 3.99Å; F3950-F3966 HydrophobicContact CZ-CD2 4.44Å; F3950-F3966 AromaticContact CZ-CE2 3.76Å; F3950-F3966 HydrophobicContact CZ-CE2 3.76Å; L3952-F3966 HydrophobicContact CD2-CD2 3.85Å; L3952-F3966 HydrophobicContact CD2-CE2 4.24Å; C3964-F3966 HydrophobicContact CB-CE1 3.78Å; C3964-F3966 HydrophobicContact CB-CZ 3.85Å; C3964-F3966 WeakPolarHBondContact SG-CE1 3.46Å; F3966-L3969 HydrophobicContact CB-CD1 4.48Å; F3966-D3996 WeakPolarHBondContact O-CA 3.35Å; F3966-A3997 PolarHBondContact N-O 3Å; F3966-A3997 PolarHBondContact O-N 2.97Å
3967I89.5Confident80Confident50 Ų5042.5 Ų42.526%0.25624%0.239SC..EExtended strand (participates in β ladder)trans-123.8163.1-17772175.6000109.6P3917 V3918 N3919 R3965 L3969 D3996P3917-I3967 HydrophobicContact CB-CD1 4.35Å; P3917-I3967 HydrophobicContact CB-CG2 3.51Å; V3918-I3967 PolarHBondContact O-N 2.77Å; N3919-I3967 HydrophobicContact CB-CD1 4.17Å; N3919-I3967 HydrophobicContact CB-CG1 3.74Å; N3919-I3967 PolarHBondContact OD1-O 2.93Å; R3965-I3967 HydrophobicContact CG-CG2 4.29Å; I3967-L3969 VanDerWaalsContact C-N 3.27Å; I3967-L3969 PolarHBondContact O-N 3.07Å; I3967-D3996 HydrophobicContact CG2-CB 4.42Å; I3967-D3996 WeakPolarHBondContact CG2-OD2 3.5Å
3968G87.3Confident81.2Confident19 Ų1936.3 Ų36.320%0.19621%0.21CC..  trans81.8-8.2173.500000115.7R3970G3968-R3970 WeakPolarHBondContact O-CG 3.48Å
3969L90.6Very high82.5Confident5 Ų541.9 Ų41.93%0.02623%0.228CC..  trans-52.9143.3177.8-67.8175.7000112.5L3952 F3966 I3967 V3994 A3997 L4019 L4052L3952-L3969 HydrophobicContact CD1-CD1 3.78Å; F3966-L3969 HydrophobicContact CB-CD1 4.48Å; I3967-L3969 VanDerWaalsContact C-N 3.27Å; I3967-L3969 PolarHBondContact O-N 3.07Å; L3969-V3994 HydrophobicContact CB-CB 4.05Å; L3969-V3994 WeakPolarHBondContact O-CB 3.34Å; L3969-V3994 PolarHBondContact O-N 3.11Å; L3969-A3997 HydrophobicContact CD1-CB 4.28Å; L3969-L4019 HydrophobicContact CD2-CD1 3.99Å; L3969-L4052 HydrophobicContact CD2-CD2 3.92Å
3970R90.9Very high84.1Confident73 Ų7336.7 Ų36.728%0.27519%0.194SC..EExtended strand (participates in β ladder)trans-128157.7-177.8-55.4-176.9-68.1135.96.2110.6G3968 V3991 S3992 E4023 L4050 F4051 L4052G3968-R3970 WeakPolarHBondContact O-CG 3.48Å; R3970-V3991 HydrophobicContact CB-CG1 3.78Å; R3970-S3992 CarbonylContact C-O 3.54Å; R3970-S3992 VanDerWaalsContact CA-O 3.31Å; R3970-S3992 WeakPolarHBondContact CA-O 3.2Å; R3970-E4023 IonicContact CZ-OE1 3.36Å; R3970-E4023 IonicContact NH1-OE1 3.35Å; R3970-E4023 PolarHBondContact NH1-OE1 3.13Å; R3970-E4023 IonicContact NH2-OE1 2.67Å; R3970-E4023 PolarHBondContact NH2-OE1 2.59Å; R3970-L4050 CarbonylContact O-C 3.6Å; R3970-L4050 VanDerWaalsContact O-CA 3.3Å; R3970-L4050 WeakPolarHBondContact O-CA 3.43Å; R3970-F4051 HydrophobicContact CB-CB 4.33Å; R3970-F4051 PolarHBondContact N-O 2.84Å; R3970-F4051 PolarHBondContact O-N 2.91Å; R3970-L4052 PolarHBondContact NE-O 3.31Å; R3970-L4052 PolarHBondContact NH2-O 2.89Å
3971I91Very high85.2Confident1 Ų135.2 Ų35.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-137.4141.1-175.9-171.7169.2000111.3A3974 F3976 L3981 V3991 S3992 V3994 V4048 A4049 L4050I3971-A3974 HydrophobicContact CD1-CB 4.22Å; I3971-A3974 WeakPolarHBondContact CG2-O 3.42Å; I3971-F3976 HydrophobicContact CD1-CB 4.23Å; I3971-L3981 HydrophobicContact CD1-CD2 3.57Å; I3971-V3991 CarbonylContact O-C 3.17Å; I3971-V3991 WeakPolarHBondContact O-CA 3.43Å; I3971-S3992 PolarHBondContact N-O 2.95Å; I3971-S3992 PolarHBondContact O-N 3.32Å; I3971-V3994 HydrophobicContact CB-CG2 3.57Å; I3971-V3994 HydrophobicContact CG2-CG2 3.58Å; I3971-V4048 HydrophobicContact CD1-CG1 3.92Å; I3971-V4048 HydrophobicContact CG1-CG1 4.08Å; I3971-A4049 WeakPolarHBondContact CA-O 3.03Å; I3971-L4050 HydrophobicContact CB-CD2 3.9Å; I3971-L4050 HydrophobicContact CD1-CD2 4.16Å; I3971-L4050 HydrophobicContact CG1-CD2 4.04Å
3972E87.9Confident86Confident30 Ų3039.8 Ų39.814%0.1420%0.197CC..EExtended strand (participates in β ladder)trans-123.7149175.3176.7-174.5-138.900109.9A3974 V3991 R4025 V4048 A4049 F4051E3972-A3974 PolarHBondContact O-N 3.47Å; E3972-V3991 HydrophobicContact CB-CG2 4.47Å; E3972-R4025 IonicContact OE2-CZ 3.55Å; E3972-R4025 IonicContact OE2-NE 3.68Å; E3972-R4025 PolarHBondContact OE2-NE 2.72Å; E3972-R4025 IonicContact OE2-NH2 3.93Å; E3972-R4025 PolarHBondContact OE2-NH2 2.84Å; E3972-V4048 WeakPolarHBondContact O-CA 3.28Å; E3972-A4049 PolarHBondContact N-O 2.71Å; E3972-A4049 VanDerWaalsContact N-O 3.09Å; E3972-A4049 PolarHBondContact O-N 2.81Å; E3972-F4051 HydrophobicContact CB-CD2 4.42Å; E3972-F4051 HydrophobicContact CB-CE2 3.63Å; E3972-F4051 HydrophobicContact CB-CZ 4.44Å; E3972-F4051 HydrophobicContact CG-CE2 4.46Å; E3972-F4051 WeakPolarHBondContact OE2-CE2 3.38Å; E3972-F4051 WeakPolarHBondContact OE2-CZ 3.26Å
3973G83.7Confident86.1Confident17 Ų1745.6 Ų45.618%0.17522%0.223CC..SBendtrans79.4-9.4178.900000115.3
3974A87.3Confident85.8Confident1 Ų145.9 Ų45.91%0.00822%0.224CC..SBendtrans-153.6160.2172.800000110.8I3971 E3972 L3981 W4043 V4048I3971-A3974 HydrophobicContact CD1-CB 4.22Å; I3971-A3974 WeakPolarHBondContact CG2-O 3.42Å; E3972-A3974 PolarHBondContact O-N 3.47Å; A3974-L3981 HydrophobicContact CB-CD2 3.84Å; A3974-W4043 HydrophobicContact CB-CE3 3.82Å; A3974-W4043 HydrophobicContact CB-CZ3 3.68Å; A3974-V4048 HydrophobicContact CB-CG1 4.15Å; A3974-V4048 HydrophobicContact CB-CG2 3.71Å
3975V86.1Confident85.2Confident40 Ų4049.9 Ų49.924%0.24225%0.245CC..EExtended strand (participates in β ladder)trans-104.6137.1167.9-177.30000108.2R3982V3975-R3982 PolarHBondContact N-O 2.76Å; V3975-R3982 PolarHBondContact O-N 3.08Å
3976F86.9Confident84.1Confident8 Ų850.1 Ų50.14%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-114.9121.1178.4-173-109000111.2W3954 I3971 G3978 V3980 L3981 V3994 I4034 P4035W3954-F3976 AromaticContact CD1-CE1 3.9Å; W3954-F3976 AromaticContact CD2-CE1 3.52Å; W3954-F3976 HydrophobicContact CD2-CE1 3.52Å; W3954-F3976 AromaticContact CD2-CZ 3.85Å; W3954-F3976 HydrophobicContact CD2-CZ 3.85Å; W3954-F3976 AromaticContact CE2-CE1 3.54Å; W3954-F3976 HydrophobicContact CE3-CE1 4.02Å; W3954-F3976 AromaticContact CE3-CZ 3.87Å; W3954-F3976 HydrophobicContact CE3-CZ 3.87Å; W3954-F3976 AromaticContact CG-CE1 3.75Å; W3954-F3976 HydrophobicContact CG-CE1 3.75Å; W3954-F3976 HydrophobicContact CG-CZ 4.27Å; W3954-F3976 HydrophobicContact CZ2-CE1 4.08Å; W3954-F3976 HydrophobicContact CZ3-CZ 4.28Å; W3954-F3976 AromaticContact NE1-CE1 3.74Å; I3971-F3976 HydrophobicContact CD1-CB 4.23Å; F3976-G3978 VanDerWaalsContact C-N 3.31Å; F3976-G3978 PolarHBondContact O-N 3.23Å; F3976-V3980 WeakPolarHBondContact CD2-O 3.5Å; F3976-L3981 HydrophobicContact CB-CD2 4.22Å; F3976-L3981 HydrophobicContact CD2-CD2 3.92Å; F3976-L3981 HydrophobicContact CD2-CG 4.2Å; F3976-L3981 HydrophobicContact CG-CD2 4.49Å; F3976-V3994 HydrophobicContact CD1-CG1 4Å; F3976-I4034 HydrophobicContact CD2-CG2 3.7Å; F3976-I4034 HydrophobicContact CE2-CG2 3.49Å; F3976-I4034 VanDerWaalsContact CE2-CG2 3.49Å; F3976-I4034 HydrophobicContact CZ-CG2 4.15Å; F3976-P4035 HydrophobicContact CE2-CG 4Å; F3976-P4035 HydrophobicContact CZ-CG 4.07Å
3977D80.9Confident83Confident57 Ų5755.3 Ų55.331%0.30530%0.298SS..  trans-89.711.2-174.272.90.2000114.5K3979 V3980 R3982D3977-K3979 VanDerWaalsContact C-N 3.31Å; D3977-K3979 WeakPolarHBondContact OD1-CA 3.36Å; D3977-K3979 WeakPolarHBondContact OD1-CB 3.06Å; D3977-K3979 PolarHBondContact OD1-N 3.14Å; D3977-V3980 PolarHBondContact N-O 2.88Å; D3977-V3980 PolarHBondContact OD1-N 3.26Å; D3977-R3982 IonicContact OD2-CZ 2.9Å; D3977-R3982 IonicContact OD2-NE 3.87Å; D3977-R3982 PolarHBondContact OD2-NE 3.37Å; D3977-R3982 IonicContact OD2-NH2 3.11Å; D3977-R3982 PolarHBondContact OD2-NH2 3.21Å
3978G80.2Confident82.1Confident17 Ų1754.3 Ų54.318%0.17530%0.295CS..SBendtrans87.3-9.2-171.500000114.2W3954 F3976W3954-G3978 VanDerWaalsContact CB-O 3.29Å; W3954-G3978 WeakPolarHBondContact CB-O 3.46Å; F3976-G3978 VanDerWaalsContact C-N 3.31Å; F3976-G3978 PolarHBondContact O-N 3.23Å
3979K81.4Confident81.5Confident161 Ų16156.8 Ų56.870%0.731%0.308SS*.SBendtrans-129.7-39.8-177.8-60.3-178.3-178.7179.50113.5D3977 P4035D3977-K3979 VanDerWaalsContact C-N 3.31Å; D3977-K3979 WeakPolarHBondContact OD1-CA 3.36Å; D3977-K3979 WeakPolarHBondContact OD1-CB 3.06Å; D3977-K3979 PolarHBondContact OD1-N 3.14Å; K3979-P4035 WeakPolarHBondContact O-CG 3.18Å
3980V85.8Confident80.8Confident26 Ų2661.7 Ų61.716%0.15834%0.34CS..SBendtrans-146.6152.6179.1-71.50000112.1F3976 D3977 L4012 P4035F3976-V3980 WeakPolarHBondContact CD2-O 3.5Å; D3977-V3980 PolarHBondContact N-O 2.88Å; D3977-V3980 PolarHBondContact OD1-N 3.26Å; V3980-L4012 HydrophobicContact CG1-CD1 3.76Å; V3980-P4035 WeakPolarHBondContact CA-O 3.39Å
3981L87.3Confident80.4Confident1 Ų159.8 Ų59.81%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-65.2142.3162.9-67.3172.1000111.2I3971 A3974 F3976 V4015 I4034 P4035 C4036 W4043I3971-L3981 HydrophobicContact CD1-CD2 3.57Å; A3974-L3981 HydrophobicContact CB-CD2 3.84Å; F3976-L3981 HydrophobicContact CB-CD2 4.22Å; F3976-L3981 HydrophobicContact CD2-CD2 3.92Å; F3976-L3981 HydrophobicContact CD2-CG 4.2Å; F3976-L3981 HydrophobicContact CG-CD2 4.49Å; L3981-V4015 HydrophobicContact CD1-CG1 3.48Å; L3981-V4015 VanDerWaalsContact CD1-CG1 3.48Å; L3981-I4034 HydrophobicContact CD1-CB 4.4Å; L3981-I4034 HydrophobicContact CD1-CG2 4.19Å; L3981-I4034 HydrophobicContact CD2-CG2 3.99Å; L3981-I4034 HydrophobicContact CG-CG2 3.84Å; L3981-P4035 PolarHBondContact N-O 3.04Å; L3981-P4035 VanDerWaalsContact N-O 3.17Å; L3981-C4036 HydrophobicContact CB-CB 4.48Å; L3981-C4036 HydrophobicContact CD1-CB 4.39Å; L3981-W4043 HydrophobicContact CB-CD2 4.09Å; L3981-W4043 HydrophobicContact CB-CE3 4.11Å; L3981-W4043 HydrophobicContact CB-CH2 3.93Å; L3981-W4043 HydrophobicContact CB-CZ2 3.89Å; L3981-W4043 HydrophobicContact CB-CZ3 4.03Å; L3981-W4043 HydrophobicContact CD1-CB 4.3Å; L3981-W4043 HydrophobicContact CD1-CD2 3.89Å; L3981-W4043 HydrophobicContact CD1-CE3 4.21Å; L3981-W4043 HydrophobicContact CD1-CG 3.92Å
3982R84.1Confident80.2Confident144 Ų14460.5 Ų60.554%0.54334%0.342SS..EExtended strand (participates in β ladder)trans-132.6155.1175.8-60-173.2-178.3-146.15.5110V3975 D3977V3975-R3982 PolarHBondContact N-O 2.76Å; V3975-R3982 PolarHBondContact O-N 3.08Å; D3977-R3982 IonicContact OD2-CZ 2.9Å; D3977-R3982 IonicContact OD2-NE 3.87Å; D3977-R3982 PolarHBondContact OD2-NE 3.37Å; D3977-R3982 IonicContact OD2-NH2 3.11Å; D3977-R3982 PolarHBondContact OD2-NH2 3.21Å
3983E81.1Confident80.1Confident130 Ų13066.1 Ų66.161%0.60737%0.368SS*.PPolyproline II helixtrans-65.9147.9176.1-64.6-174.1143.200112.1K4042 W4043E3983-K4042 WeakPolarHBondContact OE1-CE 3.16Å; E3983-K4042 IonicContact OE1-NZ 2.82Å; E3983-K4042 PolarHBondContact OE1-NZ 2.95Å; E3983-W4043 HydrophobicContact CG-CH2 4.36Å
3984V79Confident80.3Confident67 Ų6765.5 Ų65.541%0.40636%0.361SS..PPolyproline II helixtrans-73.3130.7170.8-172.90000108.6
3985N72.3Confident80.3Confident84 Ų8468.2 Ų68.245%0.44938%0.378SS..PPolyproline II helixtrans-103.8167.1175.271.126.7000111.2S3987 S3988N3985-S3987 PolarHBondContact O-N 2.85Å; N3985-S3987 PolarHBondContact OD1-N 3.45Å; N3985-S3987 PolarHBondContact OD1-OG 3.03Å; N3985-S3988 VanDerWaalsContact CG-OG 3.24Å; N3985-S3988 PolarHBondContact N-OG 3.48Å; N3985-S3988 VanDerWaalsContact N-OG 3.15Å; N3985-S3988 VanDerWaalsContact O-CB 3.31Å; N3985-S3988 WeakPolarHBondContact O-CB 3.33Å; N3985-S3988 PolarHBondContact O-N 3.39Å; N3985-S3988 PolarHBondContact O-OG 2.86Å; N3985-S3988 PolarHBondContact OD1-N 2.92Å; N3985-S3988 PolarHBondContact OD1-OG 2.9Å
3986P64.7Low80.4Confident121 Ų12170.4 Ų70.479%0.78639%0.389SS*.THydrogen-bonded Turntrans-62.2-13.5-174-2636.1000116.3V3483V3483-P3986 HydrophobicContact CG2-CG 4.47Å
3987S65.2Low80.3Confident109 Ų10970 Ų7076%0.76239%0.387SS*.THydrogen-bonded Turntrans-108.45.6176520000113.5N3985N3985-S3987 PolarHBondContact O-N 2.85Å; N3985-S3987 PolarHBondContact OD1-N 3.45Å; N3985-S3987 PolarHBondContact OD1-OG 3.03Å
3988S71.4Confident80.6Confident29 Ų2968.3 Ų68.320%0.20338%0.378CS..SBendtrans-77.8141.8172.5-61.30000110.3N3985N3985-S3988 VanDerWaalsContact CG-OG 3.24Å; N3985-S3988 PolarHBondContact N-OG 3.48Å; N3985-S3988 VanDerWaalsContact N-OG 3.15Å; N3985-S3988 VanDerWaalsContact O-CB 3.31Å; N3985-S3988 WeakPolarHBondContact O-CB 3.33Å; N3985-S3988 PolarHBondContact O-N 3.39Å; N3985-S3988 PolarHBondContact O-OG 2.86Å; N3985-S3988 PolarHBondContact OD1-N 2.92Å; N3985-S3988 PolarHBondContact OD1-OG 2.9Å
3989P74.2Confident80.9Confident72 Ų7267.5 Ų67.547%0.46837%0.37SS..  trans-67.3147.4171.930.6-34.3000110.2V3991P3989-V3991 PolarHBondContact O-N 3.13Å
3990P76.3Confident81.1Confident107 Ų10760 Ų6070%0.69534%0.338SS*.SBendtrans-61.4-32.8-176.624.1-33.9000112.7
3991V82.5Confident81.2Confident33 Ų3359.5 Ų59.520%0.233%0.333CS..EExtended strand (participates in β ladder)trans-116.2123.1167.8-178.70000107.9R3970 I3971 E3972 P3989R3970-V3991 HydrophobicContact CB-CG1 3.78Å; I3971-V3991 CarbonylContact O-C 3.17Å; I3971-V3991 WeakPolarHBondContact O-CA 3.43Å; E3972-V3991 HydrophobicContact CB-CG2 4.47Å; P3989-V3991 PolarHBondContact O-N 3.13Å
3992S85.4Confident81Confident16 Ų1660.4 Ų60.411%0.11234%0.338CS..EExtended strand (participates in β ladder)trans-104.1154.2177.8-70.50000111.2R3970 I3971R3970-S3992 CarbonylContact C-O 3.54Å; R3970-S3992 VanDerWaalsContact CA-O 3.31Å; R3970-S3992 WeakPolarHBondContact CA-O 3.2Å; I3971-S3992 PolarHBondContact N-O 2.95Å; I3971-S3992 PolarHBondContact O-N 3.32Å
3993Q86.5Confident80.9Confident148 Ų14854.8 Ų54.869%0.69232%0.32SS*.EExtended strand (participates in β ladder)trans-83.4140.9173.6-167.3172.75.900110.7
3994V88.1Confident80.8Confident5 Ų551.8 Ų51.83%0.0331%0.313CS..PPolyproline II helixtrans-98.2136.8179-176.20000109.3W3954 L3969 I3971 F3976 L4050W3954-V3994 HydrophobicContact CZ2-CG1 4.21Å; L3969-V3994 HydrophobicContact CB-CB 4.05Å; L3969-V3994 WeakPolarHBondContact O-CB 3.34Å; L3969-V3994 PolarHBondContact O-N 3.11Å; I3971-V3994 HydrophobicContact CB-CG2 3.57Å; I3971-V3994 HydrophobicContact CG2-CG2 3.58Å; F3976-V3994 HydrophobicContact CD1-CG1 4Å; V3994-L4050 HydrophobicContact CG2-CD2 3.95Å
3995P87.2Confident80.6Confident57 Ų5753.2 Ų53.237%0.3733%0.327SS..PPolyproline II helixtrans-57.8144.9171.5-2635.7000112.9W3954 A3997W3954-P3995 PolarHBondContact NE1-O 3.31Å; P3995-A3997 PolarHBondContact O-N 2.72Å
3996D87.2Confident80.4Confident86 Ų8654 Ų5446%0.4633%0.326SS..  trans-44128.3178.1-71.96000112.6R3965 F3966 I3967R3965-D3996 HydrophobicContact CG-CB 4.25Å; F3966-D3996 WeakPolarHBondContact O-CA 3.35Å; I3967-D3996 HydrophobicContact CG2-CB 4.42Å; I3967-D3996 WeakPolarHBondContact CG2-OD2 3.5Å
3997A86.5Confident80.1Confident0 Ų057.6 Ų57.60%033%0.329CS..EExtended strand (participates in β ladder)trans-113.2138.4-174.500000111L3952 W3954 R3965 F3966 L3969 P3995 G3999L3952-A3997 HydrophobicContact CB-CB 4.21Å; L3952-A3997 HydrophobicContact CD1-CB 3.92Å; L3952-A3997 HydrophobicContact CD2-CB 4.42Å; L3952-A3997 HydrophobicContact CG-CB 4.41Å; W3954-A3997 HydrophobicContact CD2-CB 4.5Å; W3954-A3997 HydrophobicContact CZ2-CB 4.04Å; R3965-A3997 CarbonylContact C-O 3.53Å; F3966-A3997 PolarHBondContact N-O 3Å; F3966-A3997 PolarHBondContact O-N 2.97Å; L3969-A3997 HydrophobicContact CD1-CB 4.28Å; P3995-A3997 PolarHBondContact O-N 2.72Å; A3997-G3999 PolarHBondContact O-N 3.24Å
3998V86.3Confident79.6Confident21 Ų2155.5 Ų55.513%0.12731%0.31CS..EExtended strand (participates in β ladder)trans-86.6109.2167.6-179.10000108.4L3952 A3953 I3960 P3963 C3964L3952-V3998 CarbonylContact C-O 3.46Å; A3953-V3998 PolarHBondContact N-O 3.04Å; A3953-V3998 PolarHBondContact O-N 3.23Å; I3960-V3998 HydrophobicContact CD1-CG1 4.06Å; P3963-V3998 HydrophobicContact CB-CG1 3.49Å; P3963-V3998 VanDerWaalsContact CB-CG1 3.49Å; C3964-V3998 CarbonylContact O-C 3.56Å; C3964-V3998 WeakPolarHBondContact O-CA 3.31Å
3999G87Confident78.7Confident0 Ų062.1 Ų62.10%034%0.341CS..EExtended strand (participates in β ladder)trans-92.5145.4175.200000112.8Q3951 L3952 C3964 A3997Q3951-G3999 WeakPolarHBondContact O-CA 3.34Å; L3952-G3999 VanDerWaalsContact CD2-CA 3.49Å; C3964-G3999 PolarHBondContact N-O 3.12Å; C3964-G3999 PolarHBondContact O-N 2.94Å; A3997-G3999 PolarHBondContact O-N 3.24Å
4000T86.1Confident77.9Confident3 Ų362 Ų622%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-158.1161.7178.3-170.50000112.8F3950 Q3951 I3960 L3962 L4002F3950-T4000 WeakPolarHBondContact CA-O 3.24Å; Q3951-T4000 PolarHBondContact N-O 3.15Å; Q3951-T4000 PolarHBondContact O-N 3.22Å; I3960-T4000 HydrophobicContact CD1-CG2 3.99Å; I3960-T4000 HydrophobicContact CG1-CG2 4.23Å; I3960-T4000 VanDerWaalsContact CG2-CB 3.48Å; I3960-T4000 HydrophobicContact CG2-CG2 3.78Å; I3960-T4000 WeakPolarHBondContact CG2-OG1 3.35Å; L3962-T4000 PolarHBondContact O-OG1 3.34Å; T4000-L4002 HydrophobicContact CG2-CD1 4.14Å; T4000-L4002 HydrophobicContact CG2-CD2 4.17Å; T4000-L4002 HydrophobicContact CG2-CG 3.87Å
4001W86.5Confident77.1Confident17 Ų1762.1 Ų62.16%0.06434%0.341CS..EExtended strand (participates in β ladder)trans-102125.1166.8-64.989.5000109.7L3930 F3933 R3934 T3937 Q3941 L3948 V3949 F3950L3930-W4001 HydrophobicContact CB-CZ2 4.5Å; L3930-W4001 PolarHBondContact O-NE1 3.34Å; F3933-W4001 AromaticContact CD1-CD1 3.56Å; F3933-W4001 AromaticContact CD1-NE1 3.42Å; F3933-W4001 AromaticContact CE1-CD1 3.81Å; F3933-W4001 AromaticContact CG-CD1 3.85Å; F3933-W4001 AromaticContact CG-NE1 3.81Å; R3934-W4001 HydrophobicContact CB-CD2 3.83Å; R3934-W4001 HydrophobicContact CB-CE3 4.29Å; R3934-W4001 HydrophobicContact CB-CG 4.3Å; R3934-W4001 HydrophobicContact CB-CH2 4.24Å; R3934-W4001 HydrophobicContact CB-CZ2 3.76Å; R3934-W4001 HydrophobicContact CB-CZ3 4.47Å; R3934-W4001 HydrophobicContact CG-CD2 3.74Å; R3934-W4001 HydrophobicContact CG-CE3 3.72Å; R3934-W4001 HydrophobicContact CG-CG 4.36Å; R3934-W4001 HydrophobicContact CG-CH2 4.11Å; R3934-W4001 HydrophobicContact CG-CZ2 4.11Å; R3934-W4001 HydrophobicContact CG-CZ3 3.9Å; T3937-W4001 HydrophobicContact CG2-CB 3.86Å; T3937-W4001 WeakPolarHBondContact CG2-O 3.47Å; Q3941-W4001 PolarHBondContact NE2-O 3.48Å; Q3941-W4001 VanDerWaalsContact NE2-O 3.15Å; L3948-W4001 HydrophobicContact CB-CB 4.33Å; L3948-W4001 HydrophobicContact CB-CE3 4.03Å; L3948-W4001 HydrophobicContact CD1-CB 4.18Å; L3948-W4001 HydrophobicContact CD2-CB 4.5Å; V3949-W4001 WeakPolarHBondContact O-CA 3.36Å; F3950-W4001 HydrophobicContact CB-CD2 4.15Å; F3950-W4001 HydrophobicContact CB-CE3 3.9Å; F3950-W4001 HydrophobicContact CB-CH2 3.8Å; F3950-W4001 HydrophobicContact CB-CZ2 4.04Å; F3950-W4001 HydrophobicContact CB-CZ3 3.73Å; F3950-W4001 HydrophobicContact CD2-CD2 4.11Å; F3950-W4001 AromaticContact CD2-CE2 3.69Å; F3950-W4001 HydrophobicContact CD2-CG 4.47Å; F3950-W4001 AromaticContact CD2-CZ2 3.93Å; F3950-W4001 HydrophobicContact CD2-CZ2 3.93Å; F3950-W4001 AromaticContact CD2-NE1 3.82Å; F3950-W4001 HydrophobicContact CG-CH2 4.49Å; F3950-W4001 HydrophobicContact CG-CZ2 4.29Å
4002L83.9Confident76.4Confident19 Ų1964.4 Ų64.410%0.09935%0.352CS..EExtended strand (participates in β ladder)trans-117.8150-178.9-66170.6000110.5L3948 V3949 Q3951 T4000 F4006L3948-L4002 WeakPolarHBondContact CA-O 3.24Å; V3949-L4002 PolarHBondContact N-O 3.01Å; V3949-L4002 PolarHBondContact O-N 2.86Å; Q3951-L4002 HydrophobicContact CB-CD1 4.37Å; Q3951-L4002 HydrophobicContact CG-CD1 4.42Å; T4000-L4002 HydrophobicContact CG2-CD1 4.14Å; T4000-L4002 HydrophobicContact CG2-CD2 4.17Å; T4000-L4002 HydrophobicContact CG2-CG 3.87Å; L4002-F4006 HydrophobicContact CB-CB 4.39Å; L4002-F4006 HydrophobicContact CD1-CD1 3.9Å; L4002-F4006 HydrophobicContact CD1-CE1 4.17Å
4003P82.4Confident76Confident27 Ų2766.7 Ų66.718%0.17537%0.366CS..EExtended strand (participates in β ladder)trans-58.5141.3173.8-24.134.8000111.9I3943 M3947 S4005 F4006I3943-P4003 HydrophobicContact CD1-CB 4.21Å; I3943-P4003 HydrophobicContact CD1-CG 3.69Å; M3947-P4003 CarbonylContact O-C 3.33Å; M3947-P4003 VanDerWaalsContact O-CA 3.31Å; M3947-P4003 WeakPolarHBondContact O-CA 3.42Å; P4003-S4005 PolarHBondContact O-N 2.92Å; P4003-F4006 WeakPolarHBondContact O-CB 3.34Å; P4003-F4006 PolarHBondContact O-N 2.9Å
4004S78.8Confident75.9Confident66 Ų6661.9 Ų61.946%0.46235%0.347SS..THydrogen-bonded Turntrans-59-17.7177.7-47.80000114.1M3947 F4006M3947-S4004 VanDerWaalsContact C-OG 3.24Å; M3947-S4004 PolarHBondContact O-N 3.02Å; M3947-S4004 PolarHBondContact O-OG 3Å; S4004-F4006 VanDerWaalsContact C-N 3.34Å
4005S73.5Confident75.7Confident98 Ų9861.7 Ų61.769%0.68535%0.346SS*.THydrogen-bonded Turntrans-78.9-11.6173.352.80000114.2P4003 K4007P4003-S4005 PolarHBondContact O-N 2.92Å; S4005-K4007 PolarHBondContact O-N 2.86Å
4006F69Low75.7Confident100 Ų10061.3 Ų61.344%0.43935%0.345SS..  trans-76.585.3-175.7-166.7-93.2000111.4L4002 P4003 S4004 N4008L4002-F4006 HydrophobicContact CB-CB 4.39Å; L4002-F4006 HydrophobicContact CD1-CD1 3.9Å; L4002-F4006 HydrophobicContact CD1-CE1 4.17Å; P4003-F4006 WeakPolarHBondContact O-CB 3.34Å; P4003-F4006 PolarHBondContact O-N 2.9Å; S4004-F4006 VanDerWaalsContact C-N 3.34Å; F4006-N4008 VanDerWaalsContact C-N 3.3Å; F4006-N4008 HydrophobicContact CD1-CB 4.05Å; F4006-N4008 HydrophobicContact CE1-CB 3.99Å; F4006-N4008 PolarHBondContact O-N 2.91Å
4007K57.7Low75.7Confident196 Ų19657.3 Ų57.385%0.85232%0.323SS*.  trans-69.586.1172.1-72-173176.4-177.40110.7S4005 I4009S4005-K4007 PolarHBondContact O-N 2.86Å; K4007-I4009 PolarHBondContact O-N 3.24Å; K4007-I4009 VanDerWaalsContact O-N 3.14Å
4008N56Low75.9Confident66 Ų6657.6 Ų57.635%0.35333%0.325SS..  trans-65.4105.9174-161.5-9.1000109.4Q3951 F4006 R4010Q3951-N4008 PolarHBondContact OE1-ND2 2.68Å; F4006-N4008 VanDerWaalsContact C-N 3.3Å; F4006-N4008 HydrophobicContact CD1-CB 4.05Å; F4006-N4008 HydrophobicContact CE1-CB 3.99Å; F4006-N4008 PolarHBondContact O-N 2.91Å; N4008-R4010 HydrophobicContact CB-CG 4.46Å; N4008-R4010 PolarHBondContact ND2-NE 2.72Å; N4008-R4010 PolarHBondContact O-N 2.67Å
4009I51.2Low76Confident167 Ų16756.7 Ų56.786%0.85632%0.32SS*.  trans-76.873.9-176.8-51179.9000109.3K4007K4007-I4009 PolarHBondContact O-N 3.24Å; K4007-I4009 VanDerWaalsContact O-N 3.14Å
4010R57Low76.1Confident71 Ų7156.8 Ų56.827%0.26832%0.32SS..  trans-73.9128.5175.6-63.4-179177.6-158.10.3109.1L3952 N4008 L4012 D4033L3952-R4010 PolarHBondContact O-NH2 2.86Å; N4008-R4010 HydrophobicContact CB-CG 4.46Å; N4008-R4010 PolarHBondContact ND2-NE 2.72Å; N4008-R4010 PolarHBondContact O-N 2.67Å; R4010-L4012 PolarHBondContact O-N 3.03Å; R4010-D4033 PolarHBondContact NH1-O 2.82Å
4011A59.5Low76Confident109 Ų10958.4 Ų58.490%0.90133%0.326SS*.SBendtrans-76.3-6.3-177.600000114.4
4012L68.4Low75.8Confident81 Ų8159.1 Ų59.142%0.42433%0.331SS..SBendtrans-122.3150.3178.5-73.1167.3000109.5V3980 R4010V3980-L4012 HydrophobicContact CG1-CD1 3.76Å; R4010-L4012 PolarHBondContact O-N 3.03Å
4013P78.5Confident75.7Confident63 Ų6362.3 Ų62.341%0.40935%0.345SS..  trans-61.6160.4169.727.5-32.1000111C4036P4013-C4036 WeakPolarHBondContact CD-O 3.16Å; P4013-C4036 WeakPolarHBondContact CG-O 3.16Å; P4013-C4036 PolarHBondContact O-N 2.77Å
4014T82.9Confident75.5Confident48 Ų4865.3 Ų65.329%0.29435%0.353SS..EExtended strand (participates in β ladder)trans-131.3147.3-179.749.60000110.3I4034 P4040T4014-I4034 CarbonylContact C-O 3.43Å; T4014-I4034 VanDerWaalsContact CA-O 3.24Å; T4014-I4034 WeakPolarHBondContact CA-O 3.43Å; T4014-P4040 WeakPolarHBondContact O-CG 3.35Å
4015V85Confident75.7Confident1 Ų162.6 Ų62.61%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-112.8132170.356.40000109.2L3981 V4017 I4034 P4040 W4043 L4044L3981-V4015 HydrophobicContact CD1-CG1 3.48Å; L3981-V4015 VanDerWaalsContact CD1-CG1 3.48Å; V4015-V4017 HydrophobicContact CG1-CG2 4.03Å; V4015-V4017 HydrophobicContact CG2-CG2 4.21Å; V4015-V4017 PolarHBondContact O-N 2.95Å; V4015-I4034 PolarHBondContact N-O 3.45Å; V4015-I4034 PolarHBondContact O-N 2.96Å; V4015-P4040 HydrophobicContact CB-CB 3.92Å; V4015-P4040 HydrophobicContact CG2-CB 4.2Å; V4015-W4043 HydrophobicContact CB-CB 4.48Å; V4015-W4043 HydrophobicContact CG1-CB 4.06Å; V4015-W4043 HydrophobicContact CG1-CG 4.29Å; V4015-W4043 HydrophobicContact CG2-CB 4.18Å; V4015-L4044 HydrophobicContact CG2-CD1 4.32Å; V4015-L4044 HydrophobicContact CG2-CD2 3.71Å; V4015-L4044 HydrophobicContact CG2-CG 3.68Å
4016S86.2Confident75.9Confident49 Ų4964 Ų6434%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-84.4112.3175.9-141.70000109.4V4032 D4033S4016-V4032 WeakPolarHBondContact CA-O 3.35Å; S4016-D4033 WeakPolarHBondContact CB-OD1 3.47Å; S4016-D4033 PolarHBondContact OG-OD1 3.17Å
4017V88Confident76.3Confident1 Ų161 Ų611%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-110.1134.8-172.4164.90000109.8V4015 F4031 V4032 I4034 V4048 L4050V4015-V4017 HydrophobicContact CG1-CG2 4.03Å; V4015-V4017 HydrophobicContact CG2-CG2 4.21Å; V4015-V4017 PolarHBondContact O-N 2.95Å; V4017-F4031 CarbonylContact O-C 3.55Å; V4017-F4031 WeakPolarHBondContact O-CA 3.32Å; V4017-V4032 PolarHBondContact N-O 3.15Å; V4017-V4032 PolarHBondContact O-N 3.25Å; V4017-I4034 HydrophobicContact CB-CD1 3.82Å; V4017-I4034 HydrophobicContact CB-CG1 4.22Å; V4017-I4034 HydrophobicContact CG1-CD1 4.01Å; V4017-I4034 HydrophobicContact CG2-CD1 3.9Å; V4017-I4034 HydrophobicContact CG2-CG1 4.31Å; V4017-V4048 HydrophobicContact CG1-CG1 4.14Å; V4017-V4048 HydrophobicContact CG2-CB 4.34Å; V4017-V4048 HydrophobicContact CG2-CG1 4.03Å; V4017-L4050 HydrophobicContact CG1-CG 4.01Å
4018P89.6Confident77.5Confident7 Ų754 Ų545%0.04529%0.291CS..EExtended strand (participates in β ladder)trans-68.9134.317428.4-34.3000111.4A3762 Y4020 V4028 F4031 L4050A3762-P4018 HydrophobicContact CB-CG 4.47Å; P4018-Y4020 HydrophobicContact CB-CD2 4.31Å; P4018-Y4020 HydrophobicContact CB-CE2 3.74Å; P4018-Y4020 HydrophobicContact CG-CD2 4.47Å; P4018-Y4020 HydrophobicContact CG-CE2 3.62Å; P4018-V4028 HydrophobicContact CB-CG1 4.05Å; P4018-V4028 HydrophobicContact CB-CG2 4.42Å; P4018-F4031 HydrophobicContact CB-CD1 4.15Å; P4018-F4031 HydrophobicContact CB-CE1 3.83Å; P4018-F4031 HydrophobicContact CB-CZ 4.34Å; P4018-F4031 HydrophobicContact CG-CE1 4.38Å; P4018-L4050 PolarHBondContact O-N 2.8Å
4019L89.5Confident78.8Confident2 Ų251.8 Ų51.81%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-97.2114.6164.8173.465.4000108.4L3969 L4029 T4030 V4032 L4050 L4052L3969-L4019 HydrophobicContact CD2-CD1 3.99Å; L4019-L4029 HydrophobicContact CD2-CB 4.48Å; L4019-L4029 HydrophobicContact CD2-CD1 4.31Å; L4019-L4029 HydrophobicContact CG-CB 4.39Å; L4019-L4029 HydrophobicContact CG-CD1 4.18Å; L4019-L4029 WeakPolarHBondContact O-CB 3.45Å; L4019-L4029 PolarHBondContact O-N 3.18Å; L4019-T4030 HydrophobicContact CB-CG2 4.21Å; L4019-T4030 HydrophobicContact CD2-CG2 4.06Å; L4019-T4030 PolarHBondContact N-O 2.89Å; L4019-V4032 HydrophobicContact CB-CG2 4.34Å; L4019-L4050 WeakPolarHBondContact CA-O 3.11Å; L4019-L4050 HydrophobicContact CB-CB 4.18Å; L4019-L4050 HydrophobicContact CD1-CB 3.54Å; L4019-L4050 HydrophobicContact CG-CB 4.47Å; L4019-L4052 HydrophobicContact CD1-CD2 4.16Å; L4019-L4052 HydrophobicContact CD2-CD2 4.46Å
4020Y88.6Confident80.5Confident2 Ų245.2 Ų45.21%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-95.9161.9175.1-61.4-92.2000111.9C3713 P4018 R4025 S4027 V4028 A4049 L4050 F4051C3713-Y4020 PolarHBondContact SG-OH 3.49Å; C3713-Y4020 VanDerWaalsContact SG-OH 3.38Å; P4018-Y4020 HydrophobicContact CB-CD2 4.31Å; P4018-Y4020 HydrophobicContact CB-CE2 3.74Å; P4018-Y4020 HydrophobicContact CG-CD2 4.47Å; P4018-Y4020 HydrophobicContact CG-CE2 3.62Å; Y4020-R4025 VanDerWaalsContact CD1-CA 3.43Å; Y4020-R4025 HydrophobicContact CD1-CB 3.85Å; Y4020-R4025 HydrophobicContact CD1-CG 4.33Å; Y4020-R4025 HydrophobicContact CD2-CB 4.4Å; Y4020-R4025 HydrophobicContact CD2-CG 3.99Å; Y4020-R4025 HydrophobicContact CE1-CB 3.67Å; Y4020-R4025 HydrophobicContact CE1-CG 4.26Å; Y4020-R4025 WeakPolarHBondContact CE1-O 3.14Å; Y4020-R4025 HydrophobicContact CE2-CB 4.25Å; Y4020-R4025 HydrophobicContact CE2-CG 3.93Å; Y4020-R4025 HydrophobicContact CG-CB 4.2Å; Y4020-R4025 HydrophobicContact CG-CG 4.19Å; Y4020-S4027 VanDerWaalsContact CA-O 3.23Å; Y4020-S4027 WeakPolarHBondContact CA-O 2.94Å; Y4020-S4027 WeakPolarHBondContact CD1-O 3.45Å; Y4020-V4028 HydrophobicContact CD1-CB 4.48Å; Y4020-V4028 HydrophobicContact CD1-CG2 3.68Å; Y4020-V4028 HydrophobicContact CE1-CG2 3.31Å; Y4020-A4049 HydrophobicContact CD2-CB 3.99Å; Y4020-A4049 HydrophobicContact CE2-CB 3.86Å; Y4020-L4050 PolarHBondContact N-O 3.2Å; Y4020-F4051 HydrophobicContact CD2-CD1 4.44Å; Y4020-F4051 AromaticContact CD2-CE1 3.89Å; Y4020-F4051 HydrophobicContact CD2-CE1 3.89Å; Y4020-F4051 HydrophobicContact CG-CE1 4.28Å
4021Y83.8Confident81.8Confident37 Ų3746 Ų4615%0.14525%0.253CS..SBendtrans-62.5-43.1170.1179.2-111.2000112.8W3881 K3897 P3926 S4027 L4052W3881-Y4021 AromaticContact NE1-CZ 3.97Å; W3881-Y4021 PolarHBondContact NE1-OH 2.98Å; K3897-Y4021 WeakPolarHBondContact CE-OH 3.01Å; K3897-Y4021 PolarHBondContact NZ-OH 2.56Å; K3897-Y4021 VanDerWaalsContact NZ-OH 3.16Å; P3926-Y4021 HydrophobicContact CG-CD2 3.57Å; P3926-Y4021 HydrophobicContact CG-CE2 3.88Å; Y4021-S4027 WeakPolarHBondContact CB-OG 3.01Å; Y4021-S4027 PolarHBondContact N-O 3.09Å; Y4021-S4027 VanDerWaalsContact N-O 3.11Å; Y4021-L4052 HydrophobicContact CD2-CD1 4.05Å
4022D82.6Confident83.1Confident32 Ų3240.9 Ų40.917%0.17121%0.21CC..SBendtrans-149.8173.5-178.170.81.7000112.6R4024 R4025 F4051D4022-R4024 PolarHBondContact O-N 3.25Å; D4022-R4024 VanDerWaalsContact O-N 3.1Å; D4022-R4024 WeakPolarHBondContact OD1-CB 3.11Å; D4022-R4024 VanDerWaalsContact OD1-CB 3.24Å; D4022-R4024 IonicContact OD2-NH1 2.69Å; D4022-R4024 IonicContact OD2-NE 2.79Å; D4022-R4024 WeakPolarHBondContact OD2-CG 3.46Å; D4022-R4024 VanDerWaalsContact OD2-CD 3.23Å; D4022-R4024 VanDerWaalsContact OD1-N 3.12Å; D4022-R4024 PolarHBondContact OD1-N 2.68Å; D4022-R4024 WeakPolarHBondContact OD2-CD 3.48Å; D4022-R4025 PolarHBondContact O-N 2.87Å; D4022-R4025 VanDerWaalsContact O-N 3.09Å; D4022-F4051 VanDerWaalsContact O-CE1 3.23Å; D4022-F4051 WeakPolarHBondContact O-CE1 3.36Å; D4022-F4051 WeakPolarHBondContact O-CD1 3.17Å; D4022-F4051 VanDerWaalsContact O-CD1 3.27Å; D4022-F4051 VanDerWaalsContact C-CD1 3.49Å
4023E81.9Confident83.9Confident86 Ų8638.9 Ų38.940%0.40220%0.2SC..THydrogen-bonded Turntrans-61.9-12.8178.4-71.3151-116.200113.9P3709 R3970 R4025 F4051P3709-E4023 WeakPolarHBondContact CG-O 3.47Å; R3970-E4023 IonicContact CZ-OE1 3.36Å; R3970-E4023 IonicContact NH1-OE1 3.35Å; R3970-E4023 PolarHBondContact NH1-OE1 3.13Å; R3970-E4023 IonicContact NH2-OE1 2.67Å; R3970-E4023 PolarHBondContact NH2-OE1 2.59Å; E4023-R4025 PolarHBondContact O-N 2.85Å; E4023-F4051 HydrophobicContact CB-CZ 4.49Å; E4023-F4051 HydrophobicContact CG-CD2 3.81Å; E4023-F4051 HydrophobicContact CG-CE2 3.86Å; E4023-F4051 HydrophobicContact CG-CG 4.17Å; E4023-F4051 HydrophobicContact CG-CZ 4.3Å
4024R78.4Confident84.3Confident90 Ų9036 Ų3634%0.3418%0.181SC..THydrogen-bonded Turntrans-75-11.2175.2-52175.1169.6164.4-18112.4D3882 G3883 S3885 D4022 K4026D3882-R4024 IonicContact OD1-NH1 2.86Å; G3883-R4024 PolarHBondContact O-NH1 2.84Å; S3885-R4024 PolarHBondContact OG-NH2 2.86Å; D4022-R4024 PolarHBondContact O-N 3.25Å; D4022-R4024 VanDerWaalsContact O-N 3.1Å; D4022-R4024 WeakPolarHBondContact OD1-CB 3.11Å; D4022-R4024 VanDerWaalsContact OD1-CB 3.24Å; D4022-R4024 IonicContact OD2-NH1 2.69Å; D4022-R4024 IonicContact OD2-NE 2.79Å; D4022-R4024 WeakPolarHBondContact OD2-CG 3.46Å; D4022-R4024 VanDerWaalsContact OD2-CD 3.23Å; D4022-R4024 VanDerWaalsContact OD1-N 3.12Å; D4022-R4024 PolarHBondContact OD1-N 2.68Å; D4022-R4024 WeakPolarHBondContact OD2-CD 3.48Å; R4024-K4026 VanDerWaalsContact O-N 3.14Å; R4024-K4026 PolarHBondContact O-N 2.8Å; R4024-K4026 HydrophobicContact CB-CG 4.25Å
4025R82.7Confident84.4Confident9 Ų934.8 Ų34.83%0.03417%0.174CC..  trans55.528.4178.7-60.2-177.2179.5-155.9-13114.3P3709 Q3710 E3972 Y4020 D4022 E4023 K4047 F4051P3709-R4025 HydrophobicContact CB-CB 4.31Å; P3709-R4025 HydrophobicContact CB-CG 4.3Å; P3709-R4025 VanDerWaalsContact O-CD 3.24Å; P3709-R4025 WeakPolarHBondContact O-CD 3.2Å; P3709-R4025 PolarHBondContact O-NH1 2.86Å; Q3710-R4025 PolarHBondContact O-NH1 3.31Å; E3972-R4025 IonicContact OE2-CZ 3.55Å; E3972-R4025 IonicContact OE2-NE 3.68Å; E3972-R4025 PolarHBondContact OE2-NE 2.72Å; E3972-R4025 IonicContact OE2-NH2 3.93Å; E3972-R4025 PolarHBondContact OE2-NH2 2.84Å; Y4020-R4025 VanDerWaalsContact CD1-CA 3.43Å; Y4020-R4025 HydrophobicContact CD1-CB 3.85Å; Y4020-R4025 HydrophobicContact CD1-CG 4.33Å; Y4020-R4025 HydrophobicContact CD2-CB 4.4Å; Y4020-R4025 HydrophobicContact CD2-CG 3.99Å; Y4020-R4025 HydrophobicContact CE1-CB 3.67Å; Y4020-R4025 HydrophobicContact CE1-CG 4.26Å; Y4020-R4025 WeakPolarHBondContact CE1-O 3.14Å; Y4020-R4025 HydrophobicContact CE2-CB 4.25Å; Y4020-R4025 HydrophobicContact CE2-CG 3.93Å; Y4020-R4025 HydrophobicContact CG-CB 4.2Å; Y4020-R4025 HydrophobicContact CG-CG 4.19Å; D4022-R4025 PolarHBondContact O-N 2.87Å; D4022-R4025 VanDerWaalsContact O-N 3.09Å; E4023-R4025 PolarHBondContact O-N 2.85Å; R4025-K4047 PolarHBondContact NH2-O 2.67Å; R4025-F4051 HydrophobicContact CG-CE1 3.9Å; R4025-F4051 HydrophobicContact CG-CZ 4.12Å
4026K77Confident84.3Confident126 Ų12634.7 Ų34.755%0.54817%0.174SC..  trans-68.8-44.2179.8-79.6-175.8172.5-176.60113.7D3882 R4024D3882-K4026 IonicContact OD1-NZ 3.55Å; D3882-K4026 PolarHBondContact OD1-NZ 2.66Å; D3882-K4026 WeakPolarHBondContact OD2-CD 3.39Å; D3882-K4026 IonicContact OD2-NZ 3.77Å; D3882-K4026 PolarHBondContact OD2-NZ 3.05Å; R4024-K4026 VanDerWaalsContact O-N 3.14Å; R4024-K4026 PolarHBondContact O-N 2.8Å; R4024-K4026 HydrophobicContact CB-CG 4.25Å
4027S77.2Confident83.9Confident38 Ų3836 Ų3627%0.26618%0.182SC..  trans-131124.9-172.549.70000111.6Y4020 Y4021Y4020-S4027 VanDerWaalsContact CA-O 3.23Å; Y4020-S4027 WeakPolarHBondContact CA-O 2.94Å; Y4020-S4027 WeakPolarHBondContact CD1-O 3.45Å; Y4021-S4027 WeakPolarHBondContact CB-OG 3.01Å; Y4021-S4027 PolarHBondContact N-O 3.09Å; Y4021-S4027 VanDerWaalsContact N-O 3.11Å
4028V83.5Confident83.3Confident48 Ų4839.7 Ų39.729%0.29120%0.2SC..EExtended strand (participates in β ladder)trans-90.7115.7175.8-1790000108.5P4018 Y4020 F4031P4018-V4028 HydrophobicContact CB-CG1 4.05Å; P4018-V4028 HydrophobicContact CB-CG2 4.42Å; Y4020-V4028 HydrophobicContact CD1-CB 4.48Å; Y4020-V4028 HydrophobicContact CD1-CG2 3.68Å; Y4020-V4028 HydrophobicContact CE1-CG2 3.31Å; V4028-F4031 HydrophobicContact CG1-CD2 4.36Å; V4028-F4031 HydrophobicContact CG1-CE2 3.98Å; V4028-F4031 HydrophobicContact CG1-CZ 4.3Å
4029L83.6Confident82.8Confident21 Ų2143.1 Ų43.111%0.1122%0.218CC..EExtended strand (participates in β ladder)trans-74.7-40-179.9-53.3-178.6000111.9P3926 E3927 L3930 L4019 L4052P3926-L4029 HydrophobicContact CB-CD1 4.31Å; P3926-L4029 HydrophobicContact CG-CD1 4.07Å; P3926-L4029 HydrophobicContact CG-CD2 4.06Å; E3927-L4029 HydrophobicContact CG-CD2 3.38Å; L3930-L4029 HydrophobicContact CD1-CB 4.06Å; L4019-L4029 HydrophobicContact CD2-CB 4.48Å; L4019-L4029 HydrophobicContact CD2-CD1 4.31Å; L4019-L4029 HydrophobicContact CG-CB 4.39Å; L4019-L4029 HydrophobicContact CG-CD1 4.18Å; L4019-L4029 WeakPolarHBondContact O-CB 3.45Å; L4019-L4029 PolarHBondContact O-N 3.18Å; L4029-L4052 HydrophobicContact CD1-CD1 3.61Å; L4029-L4052 HydrophobicContact CD1-CD2 4.18Å; L4029-L4052 HydrophobicContact CD1-CG 3.87Å
4030T85.9Confident82.5Confident28 Ų2844.7 Ų44.717%0.17223%0.228CC..EExtended strand (participates in β ladder)trans-171.1168.1177.8-176.20000109.5L3930 F3950 L4019 V4032L3930-T4030 HydrophobicContact CD1-CG2 4.11Å; F3950-T4030 HydrophobicContact CD1-CG2 3.71Å; F3950-T4030 HydrophobicContact CE1-CG2 3.75Å; L4019-T4030 HydrophobicContact CB-CG2 4.21Å; L4019-T4030 HydrophobicContact CD2-CG2 4.06Å; L4019-T4030 PolarHBondContact N-O 2.89Å; T4030-V4032 HydrophobicContact CG2-CG2 4.13Å
4031F85.5Confident82.1Confident88 Ų8848.8 Ų48.839%0.38625%0.246SC..EExtended strand (participates in β ladder)trans-93156.4160.1-68.3-96.6000110.3V4017 P4018 V4028V4017-F4031 CarbonylContact O-C 3.55Å; V4017-F4031 WeakPolarHBondContact O-CA 3.32Å; P4018-F4031 HydrophobicContact CB-CD1 4.15Å; P4018-F4031 HydrophobicContact CB-CE1 3.83Å; P4018-F4031 HydrophobicContact CB-CZ 4.34Å; P4018-F4031 HydrophobicContact CG-CE1 4.38Å; V4028-F4031 HydrophobicContact CG1-CD2 4.36Å; V4028-F4031 HydrophobicContact CG1-CE2 3.98Å; V4028-F4031 HydrophobicContact CG1-CZ 4.3Å
4032V85.5Confident82Confident1 Ų150.1 Ų50.11%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-139.8125.6-176.6176.70000110.2F3950 L3952 W3954 S4016 V4017 L4019 T4030 I4034 L4050F3950-V4032 HydrophobicContact CD1-CG2 4.37Å; F3950-V4032 HydrophobicContact CE1-CG2 4.16Å; L3952-V4032 HydrophobicContact CB-CG1 3.88Å; L3952-V4032 HydrophobicContact CD1-CG1 3.79Å; L3952-V4032 HydrophobicContact CD1-CG2 4.28Å; L3952-V4032 HydrophobicContact CG-CG1 3.68Å; L3952-V4032 HydrophobicContact CG-CG2 4.27Å; W3954-V4032 HydrophobicContact CH2-CG1 4.3Å; S4016-V4032 WeakPolarHBondContact CA-O 3.35Å; V4017-V4032 PolarHBondContact N-O 3.15Å; V4017-V4032 PolarHBondContact O-N 3.25Å; L4019-V4032 HydrophobicContact CB-CG2 4.34Å; T4030-V4032 HydrophobicContact CG2-CG2 4.13Å; V4032-I4034 HydrophobicContact CG1-CG1 4.18Å; V4032-I4034 PolarHBondContact O-N 2.86Å; V4032-L4050 HydrophobicContact CB-CD1 4.14Å; V4032-L4050 HydrophobicContact CG1-CD1 4.2Å; V4032-L4050 HydrophobicContact CG2-CD1 4.24Å
4033D86.1Confident82.1Confident40 Ų4048.9 Ų48.921%0.21425%0.246CC..EExtended strand (participates in β ladder)trans-82.199.7177.7-61.3-29.8000111.7R4010 S4016R4010-D4033 PolarHBondContact NH1-O 2.82Å; S4016-D4033 WeakPolarHBondContact CB-OD1 3.47Å; S4016-D4033 PolarHBondContact OG-OD1 3.17Å
4034I86.4Confident82.2Confident2 Ų247 Ų471%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-92133.8178.9-47.7-176.6000109.8W3954 F3976 L3981 T4014 V4015 V4017 V4032 L4050W3954-I4034 HydrophobicContact CH2-CG1 4.27Å; W3954-I4034 HydrophobicContact CH2-CG2 4.44Å; F3976-I4034 HydrophobicContact CD2-CG2 3.7Å; F3976-I4034 HydrophobicContact CE2-CG2 3.49Å; F3976-I4034 VanDerWaalsContact CE2-CG2 3.49Å; F3976-I4034 HydrophobicContact CZ-CG2 4.15Å; L3981-I4034 HydrophobicContact CD1-CB 4.4Å; L3981-I4034 HydrophobicContact CD1-CG2 4.19Å; L3981-I4034 HydrophobicContact CD2-CG2 3.99Å; L3981-I4034 HydrophobicContact CG-CG2 3.84Å; T4014-I4034 CarbonylContact C-O 3.43Å; T4014-I4034 VanDerWaalsContact CA-O 3.24Å; T4014-I4034 WeakPolarHBondContact CA-O 3.43Å; V4015-I4034 PolarHBondContact N-O 3.45Å; V4015-I4034 PolarHBondContact O-N 2.96Å; V4017-I4034 HydrophobicContact CB-CD1 3.82Å; V4017-I4034 HydrophobicContact CB-CG1 4.22Å; V4017-I4034 HydrophobicContact CG1-CD1 4.01Å; V4017-I4034 HydrophobicContact CG2-CD1 3.9Å; V4017-I4034 HydrophobicContact CG2-CG1 4.31Å; V4032-I4034 HydrophobicContact CG1-CG1 4.18Å; V4032-I4034 PolarHBondContact O-N 2.86Å; I4034-L4050 HydrophobicContact CD1-CD1 3.96Å; I4034-L4050 HydrophobicContact CD1-CD2 4.11Å; I4034-L4050 HydrophobicContact CD1-CG 4.05Å
4035P85.4Confident82.4Confident22 Ų2244.4 Ų44.414%0.14323%0.231CC..EExtended strand (participates in β ladder)trans-67.6139.8174.527.1-34000112.9F3976 K3979 V3980 L3981F3976-P4035 HydrophobicContact CE2-CG 4Å; F3976-P4035 HydrophobicContact CZ-CG 4.07Å; K3979-P4035 WeakPolarHBondContact O-CG 3.18Å; V3980-P4035 WeakPolarHBondContact CA-O 3.39Å; L3981-P4035 PolarHBondContact N-O 3.04Å; L3981-P4035 VanDerWaalsContact N-O 3.17Å
4036C83.8Confident82.4Confident0 Ų046 Ų460%025%0.246CC..  trans-135.2159.2176.261.60000111.1L3981 P4013 E4038L3981-C4036 HydrophobicContact CB-CB 4.48Å; L3981-C4036 HydrophobicContact CD1-CB 4.39Å; P4013-C4036 WeakPolarHBondContact CD-O 3.16Å; P4013-C4036 WeakPolarHBondContact CG-O 3.16Å; P4013-C4036 PolarHBondContact O-N 2.77Å; C4036-E4038 PolarHBondContact SG-O 2.62Å
4037S77.8Confident82.7Confident75 Ų7540.3 Ų40.352%0.52422%0.221SC..SBendtrans-93.9-19.5174.247.10000113.3
4038E75.4Confident83.2Confident79 Ų7938.8 Ų38.837%0.36921%0.21SC..SBendtrans-112.1177-174.8-61.2178.610600111.9C4036 P4040 K4042 W4043C4036-E4038 PolarHBondContact SG-O 2.62Å; E4038-P4040 WeakPolarHBondContact O-CD 3.26Å; E4038-K4042 IonicContact OE2-NZ 3.2Å; E4038-K4042 PolarHBondContact OE2-NZ 3.14Å; E4038-K4042 HydrophobicContact CB-CD 4.43Å; E4038-K4042 PolarHBondContact OE1-NZ 2.88Å; E4038-K4042 IonicContact OE1-NZ 2.82Å; E4038-K4042 WeakPolarHBondContact OE2-CD 3.13Å; E4038-W4043 WeakPolarHBondContact OE2-CZ2 3.34Å
4039D79.3Confident83.5Confident79 Ų7936.5 Ų36.542%0.42220%0.196SC..  trans-55.9122.7176.3-173.2-25.7000111.2K4041 K4042D4039-K4041 PolarHBondContact O-N 3.23Å; D4039-K4041 WeakPolarHBondContact OD1-CB 2.85Å; D4039-K4041 WeakPolarHBondContact OD1-CG 3.23Å; D4039-K4041 PolarHBondContact OD1-N 3.03Å; D4039-K4041 IonicContact OD1-NZ 2.66Å; D4039-K4041 IonicContact OD2-NZ 3.68Å; D4039-K4041 PolarHBondContact OD2-NZ 2.82Å; D4039-K4042 WeakPolarHBondContact O-CB 2.96Å; D4039-K4042 PolarHBondContact O-N 2.67Å
4040P82.6Confident83.8Confident36 Ų3635.5 Ų35.523%0.23419%0.191CC..Hα-helixtrans-47.1-31.4174.7-33.138.7000115.3T4014 V4015 E4038 K4042 W4043 L4044T4014-P4040 WeakPolarHBondContact O-CG 3.35Å; V4015-P4040 HydrophobicContact CB-CB 3.92Å; V4015-P4040 HydrophobicContact CG2-CB 4.2Å; E4038-P4040 WeakPolarHBondContact O-CD 3.26Å; P4040-K4042 VanDerWaalsContact C-N 3.25Å; P4040-K4042 PolarHBondContact O-N 3.35Å; P4040-W4043 PolarHBondContact O-N 3.42Å; P4040-L4044 WeakPolarHBondContact O-CG 3.2Å; P4040-L4044 PolarHBondContact O-N 3.34Å
4041K80Confident84Confident88 Ų8834.2 Ų34.238%0.38318%0.183SC..Hα-helixtrans-56.4-37.6177.4-65.7-173.2-144.396.80112.9I3769 D4039 W4043 L4044 L4045I3769-K4041 HydrophobicContact CG2-CB 4.18Å; I3769-K4041 HydrophobicContact CG2-CD 4.1Å; I3769-K4041 HydrophobicContact CG2-CG 4.22Å; D4039-K4041 PolarHBondContact O-N 3.23Å; D4039-K4041 WeakPolarHBondContact OD1-CB 2.85Å; D4039-K4041 WeakPolarHBondContact OD1-CG 3.23Å; D4039-K4041 PolarHBondContact OD1-N 3.03Å; D4039-K4041 IonicContact OD1-NZ 2.66Å; D4039-K4041 IonicContact OD2-NZ 3.68Å; D4039-K4041 PolarHBondContact OD2-NZ 2.82Å; K4041-W4043 VanDerWaalsContact C-N 3.32Å; K4041-W4043 PolarHBondContact O-N 3.24Å; K4041-L4044 PolarHBondContact O-N 2.84Å; K4041-L4045 WeakPolarHBondContact O-CB 3.37Å; K4041-L4045 PolarHBondContact O-N 3.34Å; K4041-L4045 WeakPolarHBondContact O-CG 3.01Å
4042K81.9Confident84Confident65 Ų6530.7 Ų30.728%0.28317%0.168SC..Hα-helixtrans-56.6-48.1-179.1-174.1-174.6-179.2-173.70110.9E3983 E4038 D4039 P4040 L4045 A4046E3983-K4042 WeakPolarHBondContact OE1-CE 3.16Å; E3983-K4042 IonicContact OE1-NZ 2.82Å; E3983-K4042 PolarHBondContact OE1-NZ 2.95Å; E4038-K4042 IonicContact OE2-NZ 3.2Å; E4038-K4042 PolarHBondContact OE2-NZ 3.14Å; E4038-K4042 HydrophobicContact CB-CD 4.43Å; E4038-K4042 PolarHBondContact OE1-NZ 2.88Å; E4038-K4042 IonicContact OE1-NZ 2.82Å; E4038-K4042 WeakPolarHBondContact OE2-CD 3.13Å; D4039-K4042 WeakPolarHBondContact O-CB 2.96Å; D4039-K4042 PolarHBondContact O-N 2.67Å; P4040-K4042 VanDerWaalsContact C-N 3.25Å; P4040-K4042 PolarHBondContact O-N 3.35Å; K4042-L4045 PolarHBondContact O-N 2.58Å; K4042-A4046 WeakPolarHBondContact O-CB 3.45Å; K4042-A4046 PolarHBondContact O-N 3.36Å
4043W84.8Confident83.9Confident6 Ų632.2 Ų32.22%0.02318%0.176CC..Hα-helixtrans-72.3-33.1-178.8-51.4103.7000112.5A3974 L3981 E3983 V4015 E4038 P4040 K4041 K4047 V4048A3974-W4043 HydrophobicContact CB-CE3 3.82Å; A3974-W4043 HydrophobicContact CB-CZ3 3.68Å; L3981-W4043 HydrophobicContact CB-CD2 4.09Å; L3981-W4043 HydrophobicContact CB-CE3 4.11Å; L3981-W4043 HydrophobicContact CB-CH2 3.93Å; L3981-W4043 HydrophobicContact CB-CZ2 3.89Å; L3981-W4043 HydrophobicContact CB-CZ3 4.03Å; L3981-W4043 HydrophobicContact CD1-CB 4.3Å; L3981-W4043 HydrophobicContact CD1-CD2 3.89Å; L3981-W4043 HydrophobicContact CD1-CE3 4.21Å; L3981-W4043 HydrophobicContact CD1-CG 3.92Å; E3983-W4043 HydrophobicContact CG-CH2 4.36Å; V4015-W4043 HydrophobicContact CB-CB 4.48Å; V4015-W4043 HydrophobicContact CG1-CB 4.06Å; V4015-W4043 HydrophobicContact CG1-CG 4.29Å; V4015-W4043 HydrophobicContact CG2-CB 4.18Å; E4038-W4043 WeakPolarHBondContact OE2-CZ2 3.34Å; P4040-W4043 PolarHBondContact O-N 3.42Å; K4041-W4043 VanDerWaalsContact C-N 3.32Å; K4041-W4043 PolarHBondContact O-N 3.24Å; W4043-K4047 PolarHBondContact O-N 3.1Å; W4043-V4048 VanDerWaalsContact O-N 3.14Å; W4043-V4048 PolarHBondContact O-N 3.24Å; W4043-V4048 WeakPolarHBondContact O-CG2 3.45Å; W4043-V4048 HydrophobicContact CE3-CG2 4.01Å; W4043-V4048 HydrophobicContact CB-CG2 4.04Å
4044L84.5Confident83.8Confident46 Ų4631.8 Ų31.824%0.24117%0.174CC..Hα-helixtrans-68.3-43.5173-65.5172.9000111.9V3766 I3769 V4015 P4040 K4041 A4046 K4047V3766-L4044 WeakPolarHBondContact CG2-O 3.37Å; I3769-L4044 HydrophobicContact CD1-CB 3.62Å; I3769-L4044 HydrophobicContact CD1-CD1 3.66Å; I3769-L4044 HydrophobicContact CD1-CG 4.28Å; V4015-L4044 HydrophobicContact CG2-CD1 4.32Å; V4015-L4044 HydrophobicContact CG2-CD2 3.71Å; V4015-L4044 HydrophobicContact CG2-CG 3.68Å; P4040-L4044 WeakPolarHBondContact O-CG 3.2Å; P4040-L4044 PolarHBondContact O-N 3.34Å; K4041-L4044 PolarHBondContact O-N 2.84Å; L4044-A4046 VanDerWaalsContact C-N 3.35Å; L4044-K4047 WeakPolarHBondContact O-CA 3.22Å; L4044-K4047 PolarHBondContact O-N 3.32Å
4045L82Confident83.7Confident35 Ų3533.4 Ų33.418%0.18318%0.184CC..Hα-helixtrans-64.8-37.8175.5-73.5173.8000112.6R3704 V3766 I3769 L3770 K4041 K4042 K4047R3704-L4045 PolarHBondContact NH1-O 2.82Å; R3704-L4045 PolarHBondContact NH2-O 2.93Å; V3766-L4045 HydrophobicContact CG1-CD2 4.43Å; I3769-L4045 HydrophobicContact CB-CD2 4.18Å; I3769-L4045 HydrophobicContact CG2-CD1 3.98Å; I3769-L4045 HydrophobicContact CG2-CD2 3.76Å; I3769-L4045 HydrophobicContact CG2-CG 3.8Å; L3770-L4045 HydrophobicContact CD2-CD2 3.67Å; L3770-L4045 HydrophobicContact CG-CD2 3.8Å; K4041-L4045 WeakPolarHBondContact O-CB 3.37Å; K4041-L4045 PolarHBondContact O-N 3.34Å; K4041-L4045 WeakPolarHBondContact O-CG 3.01Å; K4042-L4045 PolarHBondContact O-N 2.58Å; L4045-K4047 PolarHBondContact O-N 2.8Å
4046A82.2Confident83.6Confident43 Ų4334.1 Ų34.136%0.35519%0.186SC..THydrogen-bonded Turntrans-68.4-5.1170.300000113.6K4042 L4044 V4048K4042-A4046 WeakPolarHBondContact O-CB 3.45Å; K4042-A4046 PolarHBondContact O-N 3.36Å; L4044-A4046 VanDerWaalsContact C-N 3.35Å; A4046-V4048 HydrophobicContact CB-CG2 4.36Å; A4046-V4048 PolarHBondContact O-N 2.73Å
4047K84.3Confident83.6Confident7 Ų736.3 Ų36.33%0.0320%0.198CC..THydrogen-bonded Turntrans51.244.8179.9-95.6-75.6-161.1159.90112.2R3704 Q3710 C3713 D3760 D3763 V3766 R4025 W4043 L4044 L4045 A4049R3704-K4047 VanDerWaalsContact NH2-CG 3.29Å; Q3710-K4047 WeakPolarHBondContact O-CB 3.19Å; Q3710-K4047 VanDerWaalsContact O-CG 3.31Å; Q3710-K4047 WeakPolarHBondContact O-CG 3.25Å; C3713-K4047 PolarHBondContact SG-NZ 2.76Å; D3760-K4047 IonicContact OD2-NZ 2.73Å; D3760-K4047 PolarHBondContact OD2-NZ 2.62Å; D3763-K4047 WeakPolarHBondContact OD1-CE 3.29Å; D3763-K4047 IonicContact OD1-NZ 3.73Å; D3763-K4047 PolarHBondContact OD1-NZ 3.02Å; V3766-K4047 HydrophobicContact CG2-CD 4.12Å; V3766-K4047 HydrophobicContact CG2-CG 3.99Å; R4025-K4047 PolarHBondContact NH2-O 2.67Å; W4043-K4047 PolarHBondContact O-N 3.1Å; L4044-K4047 WeakPolarHBondContact O-CA 3.22Å; L4044-K4047 PolarHBondContact O-N 3.32Å; L4045-K4047 PolarHBondContact O-N 2.8Å; K4047-A4049 PolarHBondContact O-N 2.73Å
4048V87.6Confident84Confident5 Ų533.7 Ų33.73%0.0318%0.176CC..  trans-54.5132.4170.5177.30000109I3971 E3972 A3974 V4017 W4043 A4046I3971-V4048 HydrophobicContact CD1-CG1 3.92Å; I3971-V4048 HydrophobicContact CG1-CG1 4.08Å; E3972-V4048 WeakPolarHBondContact O-CA 3.28Å; A3974-V4048 HydrophobicContact CB-CG1 4.15Å; A3974-V4048 HydrophobicContact CB-CG2 3.71Å; V4017-V4048 HydrophobicContact CG1-CG1 4.14Å; V4017-V4048 HydrophobicContact CG2-CB 4.34Å; V4017-V4048 HydrophobicContact CG2-CG1 4.03Å; W4043-V4048 VanDerWaalsContact O-N 3.14Å; W4043-V4048 PolarHBondContact O-N 3.24Å; W4043-V4048 WeakPolarHBondContact O-CG2 3.45Å; W4043-V4048 HydrophobicContact CE3-CG2 4.01Å; W4043-V4048 HydrophobicContact CB-CG2 4.04Å; A4046-V4048 HydrophobicContact CB-CG2 4.36Å; A4046-V4048 PolarHBondContact O-N 2.73Å
4049A89.1Confident84.6Confident0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-138.7146.5-178.700000109.7I3971 E3972 Y4020 K4047 F4051I3971-A4049 WeakPolarHBondContact CA-O 3.03Å; E3972-A4049 PolarHBondContact N-O 2.71Å; E3972-A4049 VanDerWaalsContact N-O 3.09Å; E3972-A4049 PolarHBondContact O-N 2.81Å; Y4020-A4049 HydrophobicContact CD2-CB 3.99Å; Y4020-A4049 HydrophobicContact CE2-CB 3.86Å; K4047-A4049 PolarHBondContact O-N 2.73Å; A4049-F4051 HydrophobicContact CB-CE1 4.23Å; A4049-F4051 HydrophobicContact CB-CZ 3.96Å
4050L89.8Confident85Confident1 Ų126.7 Ų26.71%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-97.7148.8165.4-65.5177.2000110.1R3970 I3971 V3994 V4017 P4018 L4019 Y4020 V4032 I4034R3970-L4050 CarbonylContact O-C 3.6Å; R3970-L4050 VanDerWaalsContact O-CA 3.3Å; R3970-L4050 WeakPolarHBondContact O-CA 3.43Å; I3971-L4050 HydrophobicContact CB-CD2 3.9Å; I3971-L4050 HydrophobicContact CD1-CD2 4.16Å; I3971-L4050 HydrophobicContact CG1-CD2 4.04Å; V3994-L4050 HydrophobicContact CG2-CD2 3.95Å; V4017-L4050 HydrophobicContact CG1-CG 4.01Å; P4018-L4050 PolarHBondContact O-N 2.8Å; L4019-L4050 WeakPolarHBondContact CA-O 3.11Å; L4019-L4050 HydrophobicContact CB-CB 4.18Å; L4019-L4050 HydrophobicContact CD1-CB 3.54Å; L4019-L4050 HydrophobicContact CG-CB 4.47Å; Y4020-L4050 PolarHBondContact N-O 3.2Å; V4032-L4050 HydrophobicContact CB-CD1 4.14Å; V4032-L4050 HydrophobicContact CG1-CD1 4.2Å; V4032-L4050 HydrophobicContact CG2-CD1 4.24Å; I4034-L4050 HydrophobicContact CD1-CD1 3.96Å; I4034-L4050 HydrophobicContact CD1-CD2 4.11Å; I4034-L4050 HydrophobicContact CD1-CG 4.05Å
4051F89.7Confident85.2Confident0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-129.9159.9174.4-57.2-57.3000110.9R3970 E3972 Y4020 D4022 E4023 R4025 A4049R3970-F4051 HydrophobicContact CB-CB 4.33Å; R3970-F4051 PolarHBondContact N-O 2.84Å; R3970-F4051 PolarHBondContact O-N 2.91Å; E3972-F4051 HydrophobicContact CB-CD2 4.42Å; E3972-F4051 HydrophobicContact CB-CE2 3.63Å; E3972-F4051 HydrophobicContact CB-CZ 4.44Å; E3972-F4051 HydrophobicContact CG-CE2 4.46Å; E3972-F4051 WeakPolarHBondContact OE2-CE2 3.38Å; E3972-F4051 WeakPolarHBondContact OE2-CZ 3.26Å; Y4020-F4051 HydrophobicContact CD2-CD1 4.44Å; Y4020-F4051 AromaticContact CD2-CE1 3.89Å; Y4020-F4051 HydrophobicContact CD2-CE1 3.89Å; Y4020-F4051 HydrophobicContact CG-CE1 4.28Å; D4022-F4051 VanDerWaalsContact O-CE1 3.23Å; D4022-F4051 WeakPolarHBondContact O-CE1 3.36Å; D4022-F4051 WeakPolarHBondContact O-CD1 3.17Å; D4022-F4051 VanDerWaalsContact O-CD1 3.27Å; D4022-F4051 VanDerWaalsContact C-CD1 3.49Å; E4023-F4051 HydrophobicContact CB-CZ 4.49Å; E4023-F4051 HydrophobicContact CG-CD2 3.81Å; E4023-F4051 HydrophobicContact CG-CE2 3.86Å; E4023-F4051 HydrophobicContact CG-CG 4.17Å; E4023-F4051 HydrophobicContact CG-CZ 4.3Å; R4025-F4051 HydrophobicContact CG-CE1 3.9Å; R4025-F4051 HydrophobicContact CG-CZ 4.12Å; A4049-F4051 HydrophobicContact CB-CE1 4.23Å; A4049-F4051 HydrophobicContact CB-CZ 3.96Å
4052L86.3Confident85.6Confident15 Ų1520.3 Ų20.38%0.07911%0.112CC..  trans-79.10165.7-60.1-171.6000112.4I3920 S3921 P3926 L3969 R3970 L4019 Y4021 L4029I3920-L4052 HydrophobicContact CB-CD1 4.44Å; I3920-L4052 HydrophobicContact CB-CD2 3.79Å; I3920-L4052 HydrophobicContact CG2-CD1 3.78Å; I3920-L4052 HydrophobicContact CG2-CD2 3.74Å; I3920-L4052 HydrophobicContact CG2-CG 4.44Å; S3921-L4052 WeakPolarHBondContact CB-OXT 3.4Å; P3926-L4052 HydrophobicContact CB-CD1 3.99Å; P3926-L4052 HydrophobicContact CG-CD1 3.67Å; L3969-L4052 HydrophobicContact CD2-CD2 3.92Å; R3970-L4052 PolarHBondContact NE-O 3.31Å; R3970-L4052 PolarHBondContact NH2-O 2.89Å; L4019-L4052 HydrophobicContact CD1-CD2 4.16Å; L4019-L4052 HydrophobicContact CD2-CD2 4.46Å; Y4021-L4052 HydrophobicContact CD2-CD1 4.05Å; L4029-L4052 HydrophobicContact CD1-CD1 3.61Å; L4029-L4052 HydrophobicContact CD1-CD2 4.18Å; L4029-L4052 HydrophobicContact CD1-CG 3.87Å

Retrieved 4,052 of 4,052 residues in 8073.4 ms (Link to these results)

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