A0A5K4ELW8_SCHMA Loading...

Putative wd-repeat protein

AlphaFold DB , UniProt , Accession A0A5K4ELW8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,326 aa.

>A0A5K4ELW8_SCHMA|A0A5K4ELW8
MDIKAELFFLVVKLLEDEGCVTAAESLKKFIDDNKLLPSRINTAGVPFDNTFDNYNSLHNLSKPSVLVEYYQLLVKLVHDRNRCASHLKTLIGIQNKFGKAFSTRCIDFHMVSKDHKRSRRSLINHLHQHSKLQFHILAHRTAIYCLEFDRRGNYVFTGSDDYTIKVWSVKGSSTPSCTLRHTLRGHVAEIIELTISIDNHLLASIDSNCCLVIWCLKTGQPVVAVRGSRNNRVLSGLAFLNVPKIVRPVNTDSSNSNDVNHPSGMLIVSSFGGYLHIIPYIHTVHHAHREDEFSNVPNHFENRWICCAVQLLPTIRFTTAPEGTPNVFWPSIACIDVSPGGLLVAAGCSDQRIRLYQFMNPLKPEPAGVLAAHEESVNSVAFSHSGLKLATGSSDGGSCWLWKFQAGQWRSMTLPFRKRVKCRPCLLVWSIHDQYLIASMKNGSVYIYFGHSGKLVTIIEGHEGAIHAVSPSPFDENILATGGVDGRFQLWNISNLRRFQQNPQHDEDNHQSIDKPLLFHYRFPPGDLDIIQGLVWRFDNPPDDQPIWSGANTTTVSRRTTRDNLQLSASDPSNHIIDLLTDNATNITFSSSNNYANNSSSHRTLTESRSQLNHTATRTSSLSNTKMQRITACRVIPTIEGVGFLVVTKSGVMSLFSPADESTTTDSSCKYDIPASSVDEQFLHWELDTAEWREVVPDPSNNNNNNNSNFNSHVLRIYENTLQALGSPPAQQSANSSSNGRVDLSRENSQNNRHRELINNHNSDNVNDNSDRIIRYRPPPAVLYEIIHAPSGVPFHRLPPGYLTNLRGFPYPSKRQLQIPGRSHLIQPTDLLPSVTLDEETGEDIVVDDIQFCSNVPIDYCPTPQLSSTQPIYGKNYLWCSPWLTNKTPLIEPLDTNELNLKVVEQQQRYEDERNFFSAGGEPVVSFGDEFNSSKHSTEQIIIMQPERNCFRQSQISCQKSSSLSSSSSSSSMHYNNESNHITTNLSPTIIFKENKEIDTSLVKNHCSNQLNNTLDELSSSSIAGPSFLHTYLRKTGDEVNSTKTLRVSTRSETVPQNKSNQVSNSILSPMDEQDDADDQDDSSEESEWSAHIDVDIGWWSRQRRRRTRRQVNTNDVLASNDTEQLSSNILNRTEMDLDNDETNEDLSSFYDAGDASLSSSHTDTNQNGPNTEGRIRRSLRQQRRLLVKRRLMREAKKAEARAARAEIEKKCSVARRSRRFLNITGDDCSRIDEDSTSRDTCIPESSNHSQSTEAITSGHIDTSSRRERLKRRLIRSLDYAVMTCSRLPLTRIPLDCYLSPECEGHEEELNKNHFILPNTDVNHWDGPYFDWLSTVRPSASPYLPQTGDRVVYLYRGHQDYLSKAWECGNLPLMGNLDQQKTNSPPSLPWTTWPDLPQFLCCSVQKITYHIVRIAGNYYPSNVSRSSSSSSAVHLKKMTRKYLNTKLLRQSKQLINLKDLKLSYHKECKATNITSTSSSSTTTTTTATATSSSSCNNNCPIASTSFGYGNASTSLSSDDGDSFVRLITLELQIEENQPYRNLVCGKVNTEDSKHCHYEKQQYPSNIIHVTYHDVDGILEFIILRRIFDASLTQEWKPGDLFICPVGGDSWWRGLVIQNLSDDDLSTSKPSTSLVENNNNNTMHFLNTTYLVRWLDENEPCYGDMINSSNGNSTMNSNYSQNLLALSETNHTGSLNKLPDNIDHVNSWDMYKWYAESVDINKGSTNTADSEFTLYGGLVDGYVHISHEQICLLYGTSKYWDTTNHPTAYLAEIKRLVECITQIMQLDISEQFINPVDLAAYPDYLFINVYPVDLNFILNRLLNGYYRQSISMKSDLLQLLENTERYNLPGSSIVYNAQLVYKLGLYCIENNVNGDEVLRRYKLLISTDIPSPNLENSDQITATTSSNSFNHNLTVEKRTRTKIYHVDRREKIVNKCYSSKQRKEIHRRRSLRLNQSLSKHSYGAYLNDDDVNKNLNKLNKHRRRFQLGGRISSRKNILTSNNSVTCDSSWISDSLNLIQELFSHRRSFYFRLPIDPLEYPDYHSIIERPMDLSTIQKKLINAQSSLHSSSSPTTKYQIRSRIQQEYHPRDLLFDLNLIVANAKLYNTDPDTQVFDDTLWLENWVNDVITPCLLRFTESFDNDDTSSCTKMKLEAISHQEINHDRYSIRQSRSTRSGNTSNDEKSCIINDGTLTLSPPAATSSTTVRTSSGRVVRPPPRGSQDLCSSFSEDYSQKYNCSSEQKQSHQRRKRLISCSSGNNTHSVNKLYSRHTNRRRRRHTNQSKSIRMSNSSEDLSNTSFLRRSARKRKIVPSFSQFYGSEGNDEFD
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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
1M34.4Very low62.1Low195 Ų19580.8 Ų80.896%0.96140%0.403SS*.  028.40-66.2-174.4-17800111.8I3 K4M1-I3 PolarHBondContact O-N 2.84Å; M1-K4 PolarHBondContact O-N 3.04Å
2D44.3Very low63.5Low85 Ų8574.1 Ų74.146%0.45537%0.369SS..THydrogen-bonded Turn-89.6-25.4-128.9-45.2-68000112.2K4 A5 E6D2-K4 PolarHBondContact O-N 3.18Å; D2-K4 VanDerWaalsContact O-N 3.14Å; D2-A5 WeakPolarHBondContact O-CB 3.48Å; D2-A5 PolarHBondContact O-N 2.91Å; D2-E6 PolarHBondContact O-N 2.94Å
3I49.5Very low64.5Low147 Ų14773.1 Ų73.175%0.75436%0.361SS*.Hα-helixtrans-53.3-32.3169.8-55.2173.1000111.8M1 L7M1-I3 PolarHBondContact O-N 2.84Å; I3-L7 VanDerWaalsContact O-CB 3.25Å; I3-L7 WeakPolarHBondContact O-CB 3.35Å; I3-L7 PolarHBondContact O-N 3.46Å
4K54Low64.9Low135 Ų13572.8 Ų72.859%0.58736%0.361SS*.Hα-helixtrans-70.1-37.9174.5-75.4-171.5177.1-1790112.5M1 D2 F8M1-K4 PolarHBondContact O-N 3.04Å; D2-K4 PolarHBondContact O-N 3.18Å; D2-K4 VanDerWaalsContact O-N 3.14Å; K4-F8 WeakPolarHBondContact O-CD2 3.34Å; K4-F8 PolarHBondContact O-N 3.06Å
5A63.3Low65.4Low7 Ų770.5 Ų70.56%0.05835%0.351CS..Hα-helixtrans-72.5-45.8-176.600000111.5D2 L7 F8 F9 L36 P38D2-A5 WeakPolarHBondContact O-CB 3.48Å; D2-A5 PolarHBondContact O-N 2.91Å; A5-L7 VanDerWaalsContact C-N 3.28Å; A5-L7 PolarHBondContact O-N 3.46Å; A5-F8 PolarHBondContact O-N 2.71Å; A5-F9 PolarHBondContact O-N 2.7Å; A5-L36 WeakPolarHBondContact CB-O 3.12Å; A5-P38 VanDerWaalsContact CB-CD 3.49Å; A5-P38 HydrophobicContact CB-CG 4.41Å
6E68Low66.2Low43 Ų4370.3 Ų70.320%0.20135%0.349CS..Hα-helixtrans-62.8-36.2174.5-69.8176.5168.700111.2D2 F9 L10 R40 Y55D2-E6 PolarHBondContact O-N 2.94Å; E6-F9 PolarHBondContact O-N 2.69Å; E6-L10 WeakPolarHBondContact O-CB 3.25Å; E6-L10 VanDerWaalsContact O-CG 3.3Å; E6-L10 WeakPolarHBondContact O-CG 3.27Å; E6-L10 PolarHBondContact O-N 3.01Å; E6-R40 IonicContact OE1-CZ 3.7Å; E6-R40 IonicContact OE1-NH2 3.23Å; E6-R40 PolarHBondContact OE1-NH2 3.39Å; E6-Y55 WeakPolarHBondContact CG-OH 3.41Å
7L69Low66.3Low82 Ų8273.6 Ų73.643%0.42937%0.368SS..Hα-helixtrans-64-43.1172.2-16878.5000112.6I3 A5 L10 V11 L74I3-L7 VanDerWaalsContact O-CB 3.25Å; I3-L7 WeakPolarHBondContact O-CB 3.35Å; I3-L7 PolarHBondContact O-N 3.46Å; A5-L7 VanDerWaalsContact C-N 3.28Å; A5-L7 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 3.34Å; L7-V11 VanDerWaalsContact O-CG2 3.3Å; L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.98Å; L7-L74 HydrophobicContact CD1-CD1 4.38Å; L7-L74 HydrophobicContact CD1-CD2 4.44Å
8F73.3Confident66.6Low79 Ų7977.1 Ų77.135%0.34638%0.383SS..Hα-helixtrans-63.8-40.3175.8-81.2-58.3000112K4 A5 V11 V12 L27 I31 L36K4-F8 WeakPolarHBondContact O-CD2 3.34Å; K4-F8 PolarHBondContact O-N 3.06Å; A5-F8 PolarHBondContact O-N 2.71Å; F8-V11 PolarHBondContact O-N 3.31Å; F8-V12 PolarHBondContact O-N 2.96Å; F8-V12 VanDerWaalsContact O-N 3.14Å; F8-L27 HydrophobicContact CD1-CD2 4.3Å; F8-I31 HydrophobicContact CB-CD1 3.81Å; F8-I31 HydrophobicContact CB-CG1 4.11Å; F8-L36 HydrophobicContact CE2-CD1 4.5Å
9F78.6Confident66.2Low14 Ų1475.8 Ų75.86%0.06139%0.391CS..Hα-helixtrans-59.9-48.1173.9178.9-97.3000112.1A5 E6 V11 V12 K13 L37 F52 Y55 N56 H59A5-F9 PolarHBondContact O-N 2.7Å; E6-F9 PolarHBondContact O-N 2.69Å; F9-V11 VanDerWaalsContact C-N 3.32Å; F9-V11 PolarHBondContact O-N 3.46Å; F9-V12 PolarHBondContact O-N 3.32Å; F9-K13 HydrophobicContact CE1-CG 4.22Å; F9-K13 HydrophobicContact CZ-CG 4.31Å; F9-K13 PolarHBondContact O-N 2.74Å; F9-K13 VanDerWaalsContact O-N 3.13Å; F9-L37 HydrophobicContact CB-CD2 4.3Å; F9-F52 AromaticContact CD2-CD2 3.86Å; F9-F52 HydrophobicContact CD2-CD2 3.86Å; F9-F52 HydrophobicContact CD2-CE1 4.42Å; F9-F52 AromaticContact CD2-CE2 3.4Å; F9-F52 HydrophobicContact CD2-CE2 3.4Å; F9-F52 AromaticContact CD2-CZ 3.71Å; F9-F52 HydrophobicContact CD2-CZ 3.71Å; F9-F52 HydrophobicContact CE2-CD1 4.48Å; F9-F52 HydrophobicContact CE2-CD2 4.32Å; F9-F52 HydrophobicContact CE2-CE1 4.02Å; F9-F52 AromaticContact CE2-CE2 3.84Å; F9-F52 HydrophobicContact CE2-CE2 3.84Å; F9-F52 AromaticContact CE2-CZ 3.66Å; F9-F52 HydrophobicContact CE2-CZ 3.66Å; F9-F52 HydrophobicContact CG-CE2 4.28Å; F9-Y55 HydrophobicContact CD1-CD1 4.35Å; F9-Y55 HydrophobicContact CD1-CE1 4.48Å; F9-Y55 AromaticContact CD2-CD1 3.78Å; F9-Y55 HydrophobicContact CD2-CD1 3.78Å; F9-Y55 HydrophobicContact CE2-CD1 4Å; F9-Y55 AromaticContact CG-CD1 3.98Å; F9-Y55 HydrophobicContact CG-CD1 3.98Å; F9-Y55 HydrophobicContact CG-CE1 4.29Å; F9-Y55 HydrophobicContact CZ-CD1 4.4Å; F9-N56 HydrophobicContact CE2-CB 3.92Å; F9-N56 HydrophobicContact CZ-CB 4.09Å; F9-H59 HydrophobicContact CE1-CB 4.31Å; F9-H59 HydrophobicContact CZ-CB 4.45Å
10L74.5Confident66.5Low44 Ų4474.9 Ų74.923%0.2339%0.391CS..Hα-helixtrans-62.6-35.2176.7-72.8167.4000112.9E6 L7 K13 L14 L67 Y70E6-L10 WeakPolarHBondContact O-CB 3.25Å; E6-L10 VanDerWaalsContact O-CG 3.3Å; E6-L10 WeakPolarHBondContact O-CG 3.27Å; E6-L10 PolarHBondContact O-N 3.01Å; L7-L10 PolarHBondContact O-N 3.34Å; L10-K13 PolarHBondContact O-N 3.42Å; L10-L14 PolarHBondContact O-N 2.92Å; L10-L67 HydrophobicContact CD2-CD2 3.98Å; L10-Y70 HydrophobicContact CD1-CD1 3.51Å; L10-Y70 HydrophobicContact CD1-CE1 3.85Å; L10-Y70 HydrophobicContact CD1-CG 4.12Å
11V74.2Confident66.9Low58 Ų5875.1 Ų75.135%0.35240%0.396SS..Hα-helixtrans-68.8-37.4177166.40000112.1L7 F8 F9 L15 L27L7-V11 VanDerWaalsContact O-CG2 3.3Å; L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.98Å; F8-V11 PolarHBondContact O-N 3.31Å; F9-V11 VanDerWaalsContact C-N 3.32Å; F9-V11 PolarHBondContact O-N 3.46Å; V11-L15 HydrophobicContact CG1-CD1 4.13Å; V11-L15 VanDerWaalsContact O-CG 3.32Å; V11-L15 WeakPolarHBondContact O-CG 3.36Å; V11-L15 PolarHBondContact O-N 3.41Å; V11-L15 VanDerWaalsContact O-N 3.16Å; V11-L27 HydrophobicContact CG1-CD1 4.16Å; V11-L27 HydrophobicContact CG1-CD2 4.5Å
12V79.2Confident68.8Low0 Ų071 Ų710%038%0.381CS..Hα-helixtrans-63.1-49.7171.5176.70000110.2F8 F9 L14 L15 E16 A24 L27 K28 I31 F52F8-V12 PolarHBondContact O-N 2.96Å; F8-V12 VanDerWaalsContact O-N 3.14Å; F9-V12 PolarHBondContact O-N 3.32Å; V12-L14 VanDerWaalsContact C-N 3.28Å; V12-L14 PolarHBondContact O-N 2.81Å; V12-L15 CarbonylContact O-C 3.58Å; V12-L15 WeakPolarHBondContact O-CA 3.41Å; V12-L15 WeakPolarHBondContact O-CB 3.37Å; V12-L15 PolarHBondContact O-N 3.31Å; V12-E16 HydrophobicContact CG1-CG 4.25Å; V12-E16 WeakPolarHBondContact O-CG 3.38Å; V12-E16 PolarHBondContact O-N 3.39Å; V12-A24 HydrophobicContact CG1-CB 4.21Å; V12-L27 HydrophobicContact CG2-CB 4.21Å; V12-L27 HydrophobicContact CG2-CD2 3.5Å; V12-L27 VanDerWaalsContact CG2-CD2 3.5Å; V12-L27 HydrophobicContact CG2-CG 4.45Å; V12-K28 HydrophobicContact CG1-CB 4.02Å; V12-K28 HydrophobicContact CG2-CB 4.38Å; V12-I31 HydrophobicContact CG2-CD1 3.58Å; V12-F52 HydrophobicContact CB-CE2 3.56Å; V12-F52 HydrophobicContact CB-CZ 3.6Å; V12-F52 HydrophobicContact CG1-CE1 4.12Å; V12-F52 HydrophobicContact CG1-CE2 3.72Å; V12-F52 HydrophobicContact CG1-CZ 3.37Å; V12-F52 HydrophobicContact CG2-CE2 3.77Å; V12-F52 HydrophobicContact CG2-CZ 4.29Å
13K75.4Confident70.2Confident61 Ų6169 Ų6927%0.26538%0.377SS..Hα-helixtrans-52.6-44.7177.3-86.8-72.7-177.1-172.20112.8F9 L10 L15 E16 D17 N56F9-K13 HydrophobicContact CE1-CG 4.22Å; F9-K13 HydrophobicContact CZ-CG 4.31Å; F9-K13 PolarHBondContact O-N 2.74Å; F9-K13 VanDerWaalsContact O-N 3.13Å; L10-K13 PolarHBondContact O-N 3.42Å; K13-L15 VanDerWaalsContact C-N 3.32Å; K13-L15 PolarHBondContact O-N 3.34Å; K13-E16 IonicContact NZ-OE2 2.72Å; K13-E16 WeakPolarHBondContact O-CB 3.47Å; K13-E16 PolarHBondContact O-N 2.75Å; K13-D17 PolarHBondContact O-N 3.19Å; K13-N56 WeakPolarHBondContact CE-OD1 3.25Å; K13-N56 PolarHBondContact NZ-OD1 2.71Å
14L70.6Confident71.7Confident69 Ų6962 Ų6236%0.36134%0.341SS..Hα-helixtrans-64.7-36.3177.8-153.784.5000112.5L10 V12 D17 E18 Y71L10-L14 PolarHBondContact O-N 2.92Å; V12-L14 VanDerWaalsContact C-N 3.28Å; V12-L14 PolarHBondContact O-N 2.81Å; L14-D17 PolarHBondContact O-N 3.07Å; L14-E18 WeakPolarHBondContact O-CB 3.38Å; L14-E18 PolarHBondContact O-N 2.83Å; L14-Y71 HydrophobicContact CD1-CE2 4.01Å; L14-Y71 HydrophobicContact CD2-CE2 4.47Å
15L72.7Confident73.1Confident39 Ų3961.2 Ų61.220%0.20434%0.34CS..Hα-helixtrans-73.4-28.4176.1-69.2167.8000112.8V11 V12 K13 C20 A23 A24 L27V11-L15 HydrophobicContact CG1-CD1 4.13Å; V11-L15 VanDerWaalsContact O-CG 3.32Å; V11-L15 WeakPolarHBondContact O-CG 3.36Å; V11-L15 PolarHBondContact O-N 3.41Å; V11-L15 VanDerWaalsContact O-N 3.16Å; V12-L15 CarbonylContact O-C 3.58Å; V12-L15 WeakPolarHBondContact O-CA 3.41Å; V12-L15 WeakPolarHBondContact O-CB 3.37Å; V12-L15 PolarHBondContact O-N 3.31Å; K13-L15 VanDerWaalsContact C-N 3.32Å; K13-L15 PolarHBondContact O-N 3.34Å; L15-C20 HydrophobicContact CB-CB 4.43Å; L15-C20 HydrophobicContact CD2-CB 3.98Å; L15-C20 CarbonylContact O-C 3.46Å; L15-C20 WeakPolarHBondContact O-CA 3.48Å; L15-C20 PolarHBondContact O-N 2.97Å; L15-A23 HydrophobicContact CD1-CB 4.39Å; L15-A23 HydrophobicContact CD2-CB 4.45Å; L15-A24 HydrophobicContact CB-CB 3.81Å; L15-L27 HydrophobicContact CD1-CD1 4.22Å
16E77.3Confident73.9Confident67 Ų6764.9 Ų64.931%0.31337%0.365SS..Hα-helixtrans-66.4-51.3168.5-65.5178158.500110.1V12 K13 G19 A24V12-E16 HydrophobicContact CG1-CG 4.25Å; V12-E16 WeakPolarHBondContact O-CG 3.38Å; V12-E16 PolarHBondContact O-N 3.39Å; K13-E16 IonicContact NZ-OE2 2.72Å; K13-E16 WeakPolarHBondContact O-CB 3.47Å; K13-E16 PolarHBondContact O-N 2.75Å; E16-G19 PolarHBondContact O-N 3.03Å; E16-A24 HydrophobicContact CG-CB 3.67Å
17D69Low74.5Confident127 Ų12765.1 Ų65.168%0.67937%0.367SS*.Hα-helixtrans-67.7-36.2-177.4-75.6-24.1000113.6K13 L14 G19K13-D17 PolarHBondContact O-N 3.19Å; L14-D17 PolarHBondContact O-N 3.07Å; D17-G19 PolarHBondContact O-N 3.06Å
18E70.7Confident75.2Confident135 Ų13563.3 Ų63.363%0.63136%0.356SS*.THydrogen-bonded Turntrans-77.23.8172.1-69.6-162.515800113.3L14 C20L14-E18 WeakPolarHBondContact O-CB 3.38Å; L14-E18 PolarHBondContact O-N 2.83Å; E18-C20 VanDerWaalsContact C-N 3.3Å; E18-C20 PolarHBondContact O-N 3.21Å
19G59.6Low75.6Confident53 Ų5365.7 Ų65.755%0.54637%0.366SS..THydrogen-bonded Turntrans74.714175.200000114.9E16 D17 V21E16-G19 PolarHBondContact O-N 3.03Å; D17-G19 PolarHBondContact O-N 3.06Å; G19-V21 PolarHBondContact O-N 3.34Å
20C71.9Confident75.8Confident58 Ų5870.2 Ų70.239%0.39239%0.386SS..  trans-84.449.7177.4-70.90000111.8L15 E18 T22 A23 A24L15-C20 HydrophobicContact CB-CB 4.43Å; L15-C20 HydrophobicContact CD2-CB 3.98Å; L15-C20 CarbonylContact O-C 3.46Å; L15-C20 WeakPolarHBondContact O-CA 3.48Å; L15-C20 PolarHBondContact O-N 2.97Å; E18-C20 VanDerWaalsContact C-N 3.3Å; E18-C20 PolarHBondContact O-N 3.21Å; C20-T22 VanDerWaalsContact C-N 3.33Å; C20-T22 PolarHBondContact O-N 3.15Å; C20-T22 VanDerWaalsContact O-N 3.14Å; C20-A23 HydrophobicContact CB-CB 4.33Å; C20-A23 WeakPolarHBondContact O-CA 3.4Å; C20-A23 WeakPolarHBondContact O-CB 3.42Å; C20-A23 PolarHBondContact O-N 2.96Å; C20-A24 PolarHBondContact O-N 2.89Å
21V75.7Confident76.1Confident80 Ų8068.1 Ų68.149%0.48538%0.375SS..Hα-helixtrans-49-46.7-167.5-175.20000113.4G19 A23 A24 E25G19-V21 PolarHBondContact O-N 3.34Å; V21-A23 VanDerWaalsContact C-N 3.3Å; V21-A23 PolarHBondContact O-N 3.02Å; V21-A24 WeakPolarHBondContact O-CB 3.44Å; V21-A24 PolarHBondContact O-N 2.98Å; V21-E25 HydrophobicContact CG1-CG 4.21Å; V21-E25 WeakPolarHBondContact O-CB 3.37Å; V21-E25 WeakPolarHBondContact O-CG 3.39Å; V21-E25 PolarHBondContact O-N 3.19Å
22T75Confident76.4Confident107 Ų10767.5 Ų67.566%0.65637%0.37SS*.Hα-helixtrans-67.7-27.4-178.7540000113.7C20 S26C20-T22 VanDerWaalsContact C-N 3.33Å; C20-T22 PolarHBondContact O-N 3.15Å; C20-T22 VanDerWaalsContact O-N 3.14Å; T22-S26 WeakPolarHBondContact O-CB 3.48Å; T22-S26 PolarHBondContact O-N 3.18Å; T22-S26 PolarHBondContact O-OG 2.9Å
23A71.8Confident76.5Confident43 Ų4373 Ų7336%0.35540%0.399SS..Hα-helixtrans-77.3-40172.600000110.9L15 C20 V21 S26 L27L15-A23 HydrophobicContact CD1-CB 4.39Å; L15-A23 HydrophobicContact CD2-CB 4.45Å; C20-A23 HydrophobicContact CB-CB 4.33Å; C20-A23 WeakPolarHBondContact O-CA 3.4Å; C20-A23 WeakPolarHBondContact O-CB 3.42Å; C20-A23 PolarHBondContact O-N 2.96Å; V21-A23 VanDerWaalsContact C-N 3.3Å; V21-A23 PolarHBondContact O-N 3.02Å; A23-S26 PolarHBondContact O-N 3.18Å; A23-L27 VanDerWaalsContact O-CB 3.3Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 PolarHBondContact O-N 3.43Å
24A81.9Confident76.6Confident1 Ų174.2 Ų74.21%0.00841%0.408CS..Hα-helixtrans-59.9-51.6172.600000111.6V12 L15 E16 C20 V21 S26 L27 K28V12-A24 HydrophobicContact CG1-CB 4.21Å; L15-A24 HydrophobicContact CB-CB 3.81Å; E16-A24 HydrophobicContact CG-CB 3.67Å; C20-A24 PolarHBondContact O-N 2.89Å; V21-A24 WeakPolarHBondContact O-CB 3.44Å; V21-A24 PolarHBondContact O-N 2.98Å; A24-S26 VanDerWaalsContact C-N 3.34Å; A24-S26 PolarHBondContact O-N 3.04Å; A24-L27 PolarHBondContact O-N 3.16Å; A24-K28 WeakPolarHBondContact O-CB 3.41Å; A24-K28 PolarHBondContact O-N 3.19Å
25E83Confident76.7Confident119 Ų11978.3 Ų78.356%0.55642%0.423SS*.Hα-helixtrans-56.4-45.2176.3-73.6175.2158.200112.2V21 L27 K29V21-E25 HydrophobicContact CG1-CG 4.21Å; V21-E25 WeakPolarHBondContact O-CB 3.37Å; V21-E25 WeakPolarHBondContact O-CG 3.39Å; V21-E25 PolarHBondContact O-N 3.19Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 3.01Å; E25-K29 VanDerWaalsContact O-CB 3.25Å; E25-K29 WeakPolarHBondContact O-CB 3.21Å; E25-K29 PolarHBondContact O-N 2.77Å
26S79.6Confident76.6Confident84 Ų8479.6 Ų79.659%0.58743%0.43SS*.Hα-helixtrans-63.3-39.2178.3-62.70000112.3T22 A23 A24 F30T22-S26 WeakPolarHBondContact O-CB 3.48Å; T22-S26 PolarHBondContact O-N 3.18Å; T22-S26 PolarHBondContact O-OG 2.9Å; A23-S26 PolarHBondContact O-N 3.18Å; A24-S26 VanDerWaalsContact C-N 3.34Å; A24-S26 PolarHBondContact O-N 3.04Å; S26-F30 WeakPolarHBondContact O-CB 3.37Å; S26-F30 PolarHBondContact O-N 3.33Å
27L81.2Confident76.2Confident47 Ų4776.6 Ų76.625%0.24642%0.416CS..Hα-helixtrans-83.1-35.3-176.1-155.9152.2000111.7F8 V11 V12 L15 A23 A24 E25 F30 I31F8-L27 HydrophobicContact CD1-CD2 4.3Å; V11-L27 HydrophobicContact CG1-CD1 4.16Å; V11-L27 HydrophobicContact CG1-CD2 4.5Å; V12-L27 HydrophobicContact CG2-CB 4.21Å; V12-L27 HydrophobicContact CG2-CD2 3.5Å; V12-L27 VanDerWaalsContact CG2-CD2 3.5Å; V12-L27 HydrophobicContact CG2-CG 4.45Å; L15-L27 HydrophobicContact CD1-CD1 4.22Å; A23-L27 VanDerWaalsContact O-CB 3.3Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 PolarHBondContact O-N 3.43Å; A24-L27 PolarHBondContact O-N 3.16Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 3.01Å; L27-F30 PolarHBondContact O-N 3.17Å; L27-I31 HydrophobicContact CD2-CD1 3.93Å; L27-I31 HydrophobicContact CD2-CG1 4.36Å; L27-I31 WeakPolarHBondContact O-CG1 3.33Å; L27-I31 PolarHBondContact O-N 2.96Å
28K84.6Confident75.9Confident45 Ų4572.1 Ų72.120%0.19639%0.394CS..Hα-helixtrans-55.3-54.1165.8174.3170.7170.5176.70110.7V12 A24 F30 I31 D32 F52 D53V12-K28 HydrophobicContact CG1-CB 4.02Å; V12-K28 HydrophobicContact CG2-CB 4.38Å; A24-K28 WeakPolarHBondContact O-CB 3.41Å; A24-K28 PolarHBondContact O-N 3.19Å; K28-F30 VanDerWaalsContact C-N 3.28Å; K28-F30 PolarHBondContact O-N 3.14Å; K28-I31 WeakPolarHBondContact O-CA 3.47Å; K28-I31 WeakPolarHBondContact O-CB 3.44Å; K28-I31 PolarHBondContact O-N 2.82Å; K28-D32 PolarHBondContact O-N 3.38Å; K28-F52 HydrophobicContact CD-CB 4.4Å; K28-F52 HydrophobicContact CD-CD1 3.62Å; K28-F52 HydrophobicContact CD-CE1 4.05Å; K28-F52 HydrophobicContact CD-CG 4.03Å; K28-F52 HydrophobicContact CG-CB 3.93Å; K28-F52 HydrophobicContact CG-CD1 3.87Å; K28-F52 HydrophobicContact CG-CD2 4.18Å; K28-F52 HydrophobicContact CG-CE1 4.45Å; K28-F52 HydrophobicContact CG-CG 3.73Å; K28-D53 WeakPolarHBondContact CE-OD2 3.3Å; K28-D53 IonicContact NZ-OD1 3.6Å; K28-D53 PolarHBondContact NZ-OD1 3.33Å; K28-D53 IonicContact NZ-OD2 2.68Å; K28-D53 PolarHBondContact NZ-OD2 2.96Å
29K81.9Confident75.3Confident129 Ų12969.3 Ų69.356%0.56139%0.389SS*.Hα-helixtrans-59.6-39177.7-173.9171-178.1176.50112.2E25 I31 D32 D33E25-K29 VanDerWaalsContact O-CB 3.25Å; E25-K29 WeakPolarHBondContact O-CB 3.21Å; E25-K29 PolarHBondContact O-N 2.77Å; K29-I31 VanDerWaalsContact C-N 3.33Å; K29-I31 PolarHBondContact O-N 3.3Å; K29-D32 PolarHBondContact O-N 3.32Å; K29-D33 WeakPolarHBondContact CG-OD2 3.3Å; K29-D33 VanDerWaalsContact O-CB 3.27Å; K29-D33 WeakPolarHBondContact O-CB 3.28Å; K29-D33 VanDerWaalsContact O-CG 3.24Å; K29-D33 PolarHBondContact O-N 2.82Å
30F82.2Confident74.9Confident108 Ų10872.3 Ų72.347%0.47438%0.384SS..Hα-helixtrans-63.8-34.1173.3-178.4-91.3000113.3S26 L27 K28 N34 L36S26-F30 WeakPolarHBondContact O-CB 3.37Å; S26-F30 PolarHBondContact O-N 3.33Å; L27-F30 PolarHBondContact O-N 3.17Å; K28-F30 VanDerWaalsContact C-N 3.28Å; K28-F30 PolarHBondContact O-N 3.14Å; F30-N34 WeakPolarHBondContact CD2-ND2 3.45Å; F30-N34 WeakPolarHBondContact CE2-ND2 3.5Å; F30-N34 WeakPolarHBondContact O-CB 3Å; F30-N34 PolarHBondContact O-N 3.01Å; F30-N34 PolarHBondContact O-ND2 2.89Å; F30-L36 HydrophobicContact CD1-CD1 4.11Å; F30-L36 HydrophobicContact CE1-CD1 3.78Å
31I80Confident74.2Confident1 Ų175.1 Ų75.11%0.00539%0.394CS..Hα-helixtrans-67-46173.8-70.2164.6000110.9F8 V12 L27 K28 K29 K35 L36 L37 F52F8-I31 HydrophobicContact CB-CD1 3.81Å; F8-I31 HydrophobicContact CB-CG1 4.11Å; V12-I31 HydrophobicContact CG2-CD1 3.58Å; L27-I31 HydrophobicContact CD2-CD1 3.93Å; L27-I31 HydrophobicContact CD2-CG1 4.36Å; L27-I31 WeakPolarHBondContact O-CG1 3.33Å; L27-I31 PolarHBondContact O-N 2.96Å; K28-I31 WeakPolarHBondContact O-CA 3.47Å; K28-I31 WeakPolarHBondContact O-CB 3.44Å; K28-I31 PolarHBondContact O-N 2.82Å; K29-I31 VanDerWaalsContact C-N 3.33Å; K29-I31 PolarHBondContact O-N 3.3Å; I31-K35 PolarHBondContact O-N 2.93Å; I31-L36 HydrophobicContact CG2-CB 4.35Å; I31-L36 PolarHBondContact O-N 3.15Å; I31-L37 HydrophobicContact CG2-CD1 3.66Å; I31-L37 HydrophobicContact CG2-CD2 4.3Å; I31-L37 HydrophobicContact CG2-CG 3.59Å; I31-F52 HydrophobicContact CD1-CD2 4.14Å; I31-F52 HydrophobicContact CD1-CE2 4.25Å; I31-F52 HydrophobicContact CG2-CD2 4.49Å
32D81.7Confident73.1Confident45 Ų4573.7 Ų73.724%0.24138%0.384CS..Hα-helixtrans-65.3-52.4179.2-70.2-44.8000111.7K28 K29 N34 K35 T51 F52K28-D32 PolarHBondContact O-N 3.38Å; K29-D32 PolarHBondContact O-N 3.32Å; D32-N34 PolarHBondContact O-N 3.44Å; D32-K35 PolarHBondContact O-N 3.48Å; D32-T51 WeakPolarHBondContact OD1-CA 3.48Å; D32-F52 WeakPolarHBondContact OD1-CB 3.32Å; D32-F52 PolarHBondContact OD1-N 3.13Å
33D80.8Confident71.4Confident114 Ų11476.3 Ų76.361%0.6140%0.4SS*.Hα-helixtrans-58.1-32.2-179.2-74.8-18.1000112.1K29K29-D33 WeakPolarHBondContact CG-OD2 3.3Å; K29-D33 VanDerWaalsContact O-CB 3.27Å; K29-D33 WeakPolarHBondContact O-CB 3.28Å; K29-D33 VanDerWaalsContact O-CG 3.24Å; K29-D33 PolarHBondContact O-N 2.82Å
34N78Confident70.2Confident88 Ų8878.1 Ų78.147%0.47142%0.415SS..THydrogen-bonded Turntrans-1003.4179.3-66.9-84.9000114.1F30 D32 L36F30-N34 WeakPolarHBondContact CD2-ND2 3.45Å; F30-N34 WeakPolarHBondContact CE2-ND2 3.5Å; F30-N34 WeakPolarHBondContact O-CB 3Å; F30-N34 PolarHBondContact O-N 3.01Å; F30-N34 PolarHBondContact O-ND2 2.89Å; D32-N34 PolarHBondContact O-N 3.44Å; N34-L36 HydrophobicContact CB-CD1 3.97Å; N34-L36 HydrophobicContact CB-CD2 4.39Å; N34-L36 HydrophobicContact CB-CG 3.74Å; N34-L36 PolarHBondContact O-N 3.25Å
35K71.5Confident68Low155 Ų15580.8 Ų80.867%0.67444%0.442SS*.THydrogen-bonded Turntrans47.641.8-176.3-59.2-169.8177-168.60114I31 D32 L37I31-K35 PolarHBondContact O-N 2.93Å; D32-K35 PolarHBondContact O-N 3.48Å; K35-L37 PolarHBondContact O-N 3.33Å
36L72.1Confident66.3Low65 Ų6579 Ų7934%0.3444%0.439SS..  trans-73.4-6.8-171.7-71.8170.9000114.5A5 F8 F30 I31 N34A5-L36 WeakPolarHBondContact CB-O 3.12Å; F8-L36 HydrophobicContact CE2-CD1 4.5Å; F30-L36 HydrophobicContact CD1-CD1 4.11Å; F30-L36 HydrophobicContact CE1-CD1 3.78Å; I31-L36 HydrophobicContact CG2-CB 4.35Å; I31-L36 PolarHBondContact O-N 3.15Å; N34-L36 HydrophobicContact CB-CD1 3.97Å; N34-L36 HydrophobicContact CB-CD2 4.39Å; N34-L36 HydrophobicContact CB-CG 3.74Å; N34-L36 PolarHBondContact O-N 3.25Å
37L68.5Low65.1Low5 Ų579 Ų793%0.02644%0.437CS..SBendtrans-88.9134.6176.3-66.4164.2000111F9 I31 K35 N50 F52 Y55F9-L37 HydrophobicContact CB-CD2 4.3Å; I31-L37 HydrophobicContact CG2-CD1 3.66Å; I31-L37 HydrophobicContact CG2-CD2 4.3Å; I31-L37 HydrophobicContact CG2-CG 3.59Å; K35-L37 PolarHBondContact O-N 3.33Å; L37-N50 PolarHBondContact O-ND2 3.43Å; L37-F52 HydrophobicContact CD1-CB 4.29Å; L37-Y55 HydrophobicContact CB-CD2 4.21Å; L37-Y55 HydrophobicContact CD1-CD2 4.39Å; L37-Y55 HydrophobicContact CD1-CG 4.22Å; L37-Y55 HydrophobicContact CD2-CD1 4.18Å; L37-Y55 HydrophobicContact CD2-CD2 4.03Å; L37-Y55 HydrophobicContact CD2-CE1 4.34Å; L37-Y55 HydrophobicContact CD2-CE2 4.19Å; L37-Y55 HydrophobicContact CD2-CG 4.02Å; L37-Y55 HydrophobicContact CG-CD2 4.43Å
38P62.9Low63.8Low32 Ų3281.5 Ų81.521%0.20845%0.446CS..  trans-72.6135.2-178.629.6-35.2000111.2A5 R40 Y55A5-P38 VanDerWaalsContact CB-CD 3.49Å; A5-P38 HydrophobicContact CB-CG 4.41Å; P38-R40 PolarHBondContact O-N 3.05Å; P38-Y55 HydrophobicContact CG-CE2 4.49Å
39S58Low62.5Low77 Ų7785.7 Ų85.754%0.53847%0.471SS..  trans-63.5113.4174.852.20000110.5N50S39-N50 WeakPolarHBondContact CA-OD1 3.48Å; S39-N50 WeakPolarHBondContact CB-OD1 3.49Å
40R50.8Low61.5Low115 Ų11582 Ų8243%0.43446%0.457SS..PPolyproline II helixtrans-101146.6171.9-71.9-169.4175.2159.77.7110.9E6 P38 F48 H59E6-R40 IonicContact OE1-CZ 3.7Å; E6-R40 IonicContact OE1-NH2 3.23Å; E6-R40 PolarHBondContact OE1-NH2 3.39Å; P38-R40 PolarHBondContact O-N 3.05Å; R40-F48 PolarHBondContact O-N 2.89Å; R40-F48 VanDerWaalsContact O-N 3.15Å; R40-H59 PolarHBondContact NH1-NE2 3.14Å; R40-H59 VanDerWaalsContact NH1-NE2 3.19Å
41I57.3Low61Low117 Ų11779.6 Ų79.660%0.645%0.452SS*.BIsolated β-bridgetrans-98.8138.1-179.3-51.7179.5000108G45 P47I41-G45 VanDerWaalsContact CG2-CA 3.48Å; I41-G45 WeakPolarHBondContact CG2-O 3.47Å; I41-P47 HydrophobicContact CG1-CB 4.48Å
42N52.1Low60.9Low50 Ų5079.6 Ų79.627%0.26745%0.451SS..PPolyproline II helixtrans-77.1173.1176.172.816.4000112.3A44 G45 V46 F48N42-A44 PolarHBondContact O-N 3.02Å; N42-A44 WeakPolarHBondContact OD1-CA 3.39Å; N42-A44 WeakPolarHBondContact OD1-CB 3.4Å; N42-A44 PolarHBondContact OD1-N 2.87Å; N42-G45 PolarHBondContact O-N 3.07Å; N42-G45 PolarHBondContact OD1-N 3.3Å; N42-G45 VanDerWaalsContact OD1-N 3.16Å; N42-V46 PolarHBondContact N-O 3.49Å; N42-V46 PolarHBondContact OD1-N 2.95Å; N42-V46 PolarHBondContact OD1-O 3.24Å; N42-F48 HydrophobicContact CB-CD2 4.23Å; N42-F48 HydrophobicContact CB-CE2 3.65Å; N42-F48 HydrophobicContact CB-CZ 4.3Å
43T38.9Very low60.5Low162 Ų16281.5 Ų81.599%0.99446%0.461SS*.THydrogen-bonded Turntrans-63.8-6.8178.946.60000114.7
44A48.2Very low59.9Low82 Ų8279 Ų7968%0.67845%0.449SS*.THydrogen-bonded Turntrans-106.810.3174.800000113.4N42N42-A44 PolarHBondContact O-N 3.02Å; N42-A44 WeakPolarHBondContact OD1-CA 3.39Å; N42-A44 WeakPolarHBondContact OD1-CB 3.4Å; N42-A44 PolarHBondContact OD1-N 2.87Å
45G36Very low59.5Low56 Ų5675.7 Ų75.758%0.57743%0.429SS*.SBendtrans83.67.6175.800000115.7I41 N42I41-G45 VanDerWaalsContact CG2-CA 3.48Å; I41-G45 WeakPolarHBondContact CG2-O 3.47Å; N42-G45 PolarHBondContact O-N 3.07Å; N42-G45 PolarHBondContact OD1-N 3.3Å; N42-G45 VanDerWaalsContact OD1-N 3.16Å
46V46.2Very low59.6Low82 Ų8269.7 Ų69.750%0.49741%0.405SS..PPolyproline II helixtrans-98.7127.6-178.7-172.50000110.9N42N42-V46 PolarHBondContact N-O 3.49Å; N42-V46 PolarHBondContact OD1-N 2.95Å; N42-V46 PolarHBondContact OD1-O 3.24Å
47P53.7Low59.1Low83 Ų8370.4 Ų70.454%0.53942%0.415SS..BIsolated β-bridgetrans-73.4140.5173.130.4-33.9000111.7I41I41-P47 HydrophobicContact CG1-CB 4.48Å
48F55.2Low58.4Low100 Ų10075.4 Ų75.444%0.43944%0.441SS..PPolyproline II helixtrans-92.5152.2173.6-79.8-63.2000112.7R40 N42 N50 L58R40-F48 PolarHBondContact O-N 2.89Å; R40-F48 VanDerWaalsContact O-N 3.15Å; N42-F48 HydrophobicContact CB-CD2 4.23Å; N42-F48 HydrophobicContact CB-CE2 3.65Å; N42-F48 HydrophobicContact CB-CZ 4.3Å; F48-N50 PolarHBondContact O-OD1 3.27Å; F48-L58 HydrophobicContact CD2-CD1 4.41Å
49D56.8Low57.9Low134 Ų13477 Ų7772%0.71745%0.446SS*.PPolyproline II helixtrans-66.1130.6175.3-78.4-55.1000112.7T51 N54D49-T51 VanDerWaalsContact C-N 3.26Å; D49-T51 PolarHBondContact O-N 2.99Å; D49-N54 PolarHBondContact O-ND2 3.13Å
50N60.2Low57.1Low51 Ų5179.7 Ų79.727%0.27345%0.454SS..  trans-7358.7-171.5-57.311.7000114.1L37 S39 F48L37-N50 PolarHBondContact O-ND2 3.43Å; S39-N50 WeakPolarHBondContact CA-OD1 3.48Å; S39-N50 WeakPolarHBondContact CB-OD1 3.49Å; F48-N50 PolarHBondContact O-OD1 3.27Å
51T72.1Confident56.4Low58 Ų5879.6 Ų79.636%0.35646%0.462SS..  trans-102.5150.5172.766.30000112.2D32 D49 D53 N54 Y55D32-T51 WeakPolarHBondContact OD1-CA 3.48Å; D49-T51 VanDerWaalsContact C-N 3.26Å; D49-T51 PolarHBondContact O-N 2.99Å; T51-D53 VanDerWaalsContact C-N 3.32Å; T51-D53 PolarHBondContact O-N 3.3Å; T51-N54 PolarHBondContact O-N 3.4Å; T51-N54 WeakPolarHBondContact OG1-CB 3.09Å; T51-N54 PolarHBondContact OG1-N 2.97Å; T51-N54 PolarHBondContact OG1-ND2 3.43Å; T51-Y55 PolarHBondContact O-N 3.16Å; T51-Y55 VanDerWaalsContact O-N 3.07Å
52F78.3Confident55.3Low0 Ų079.6 Ų79.60%047%0.472CS..Hα-helixtrans-58.6-41.2179.1-175.1-83000112.3F9 V12 K28 I31 D32 L37 Y55 N56F9-F52 AromaticContact CD2-CD2 3.86Å; F9-F52 HydrophobicContact CD2-CD2 3.86Å; F9-F52 HydrophobicContact CD2-CE1 4.42Å; F9-F52 AromaticContact CD2-CE2 3.4Å; F9-F52 HydrophobicContact CD2-CE2 3.4Å; F9-F52 AromaticContact CD2-CZ 3.71Å; F9-F52 HydrophobicContact CD2-CZ 3.71Å; F9-F52 HydrophobicContact CE2-CD1 4.48Å; F9-F52 HydrophobicContact CE2-CD2 4.32Å; F9-F52 HydrophobicContact CE2-CE1 4.02Å; F9-F52 AromaticContact CE2-CE2 3.84Å; F9-F52 HydrophobicContact CE2-CE2 3.84Å; F9-F52 AromaticContact CE2-CZ 3.66Å; F9-F52 HydrophobicContact CE2-CZ 3.66Å; F9-F52 HydrophobicContact CG-CE2 4.28Å; V12-F52 HydrophobicContact CB-CE2 3.56Å; V12-F52 HydrophobicContact CB-CZ 3.6Å; V12-F52 HydrophobicContact CG1-CE1 4.12Å; V12-F52 HydrophobicContact CG1-CE2 3.72Å; V12-F52 HydrophobicContact CG1-CZ 3.37Å; V12-F52 HydrophobicContact CG2-CE2 3.77Å; V12-F52 HydrophobicContact CG2-CZ 4.29Å; K28-F52 HydrophobicContact CD-CB 4.4Å; K28-F52 HydrophobicContact CD-CD1 3.62Å; K28-F52 HydrophobicContact CD-CE1 4.05Å; K28-F52 HydrophobicContact CD-CG 4.03Å; K28-F52 HydrophobicContact CG-CB 3.93Å; K28-F52 HydrophobicContact CG-CD1 3.87Å; K28-F52 HydrophobicContact CG-CD2 4.18Å; K28-F52 HydrophobicContact CG-CE1 4.45Å; K28-F52 HydrophobicContact CG-CG 3.73Å; I31-F52 HydrophobicContact CD1-CD2 4.14Å; I31-F52 HydrophobicContact CD1-CE2 4.25Å; I31-F52 HydrophobicContact CG2-CD2 4.49Å; D32-F52 WeakPolarHBondContact OD1-CB 3.32Å; D32-F52 PolarHBondContact OD1-N 3.13Å; L37-F52 HydrophobicContact CD1-CB 4.29Å; F52-Y55 WeakPolarHBondContact O-CB 3.45Å; F52-Y55 PolarHBondContact O-N 3.49Å; F52-N56 HydrophobicContact CE1-CB 4.43Å; F52-N56 VanDerWaalsContact O-CB 3.28Å; F52-N56 WeakPolarHBondContact O-CB 3.47Å; F52-N56 PolarHBondContact O-N 3.42Å
53D74.2Confident54.6Low85 Ų8584 Ų8446%0.45549%0.489SS..Hα-helixtrans-72.3-34.6-178.9-69.6-42.2000112.9K28 T51 Y55 N56 S57K28-D53 WeakPolarHBondContact CE-OD2 3.3Å; K28-D53 IonicContact NZ-OD1 3.6Å; K28-D53 PolarHBondContact NZ-OD1 3.33Å; K28-D53 IonicContact NZ-OD2 2.68Å; K28-D53 PolarHBondContact NZ-OD2 2.96Å; T51-D53 VanDerWaalsContact C-N 3.32Å; T51-D53 PolarHBondContact O-N 3.3Å; D53-Y55 VanDerWaalsContact C-N 3.33Å; D53-N56 PolarHBondContact O-N 3.14Å; D53-S57 WeakPolarHBondContact O-CB 3.3Å; D53-S57 PolarHBondContact O-N 3.41Å
54N67.5Low54.6Low63 Ų6381.2 Ų81.234%0.33747%0.474SS..Hα-helixtrans-59.4-46.9168-75.4-12.6000110.5D49 T51 N56 S57 L58D49-N54 PolarHBondContact O-ND2 3.13Å; T51-N54 PolarHBondContact O-N 3.4Å; T51-N54 WeakPolarHBondContact OG1-CB 3.09Å; T51-N54 PolarHBondContact OG1-N 2.97Å; T51-N54 PolarHBondContact OG1-ND2 3.43Å; N54-N56 PolarHBondContact O-N 3.18Å; N54-S57 PolarHBondContact O-N 3.07Å; N54-S57 PolarHBondContact O-OG 2.9Å; N54-L58 PolarHBondContact O-N 2.78Å; N54-L58 VanDerWaalsContact O-N 3.15Å
55Y70.2Confident54.3Low17 Ų1780.6 Ų80.67%0.06746%0.464CS..Hα-helixtrans-63.8-40.8179.4-152-87.1000112.2E6 F9 L37 P38 T51 F52 D53 L58 H59E6-Y55 WeakPolarHBondContact CG-OH 3.41Å; F9-Y55 HydrophobicContact CD1-CD1 4.35Å; F9-Y55 HydrophobicContact CD1-CE1 4.48Å; F9-Y55 AromaticContact CD2-CD1 3.78Å; F9-Y55 HydrophobicContact CD2-CD1 3.78Å; F9-Y55 HydrophobicContact CE2-CD1 4Å; F9-Y55 AromaticContact CG-CD1 3.98Å; F9-Y55 HydrophobicContact CG-CD1 3.98Å; F9-Y55 HydrophobicContact CG-CE1 4.29Å; F9-Y55 HydrophobicContact CZ-CD1 4.4Å; L37-Y55 HydrophobicContact CB-CD2 4.21Å; L37-Y55 HydrophobicContact CD1-CD2 4.39Å; L37-Y55 HydrophobicContact CD1-CG 4.22Å; L37-Y55 HydrophobicContact CD2-CD1 4.18Å; L37-Y55 HydrophobicContact CD2-CD2 4.03Å; L37-Y55 HydrophobicContact CD2-CE1 4.34Å; L37-Y55 HydrophobicContact CD2-CE2 4.19Å; L37-Y55 HydrophobicContact CD2-CG 4.02Å; L37-Y55 HydrophobicContact CG-CD2 4.43Å; P38-Y55 HydrophobicContact CG-CE2 4.49Å; T51-Y55 PolarHBondContact O-N 3.16Å; T51-Y55 VanDerWaalsContact O-N 3.07Å; F52-Y55 WeakPolarHBondContact O-CB 3.45Å; F52-Y55 PolarHBondContact O-N 3.49Å; D53-Y55 VanDerWaalsContact C-N 3.33Å; Y55-L58 PolarHBondContact O-N 3.4Å; Y55-H59 AromaticContact CD1-CD2 3.91Å; Y55-H59 AromaticContact CE1-CD2 3.54Å; Y55-H59 AromaticContact CE1-NE2 3.98Å; Y55-H59 WeakPolarHBondContact O-CB 3.4Å; Y55-H59 PolarHBondContact O-N 2.96Å
56N71.5Confident54.7Low30 Ų3080.2 Ų80.216%0.1645%0.451CS..Hα-helixtrans-62.6-42.3175.5-163.813000111.7F9 K13 F52 D53 N54 L58 H59 N60F9-N56 HydrophobicContact CE2-CB 3.92Å; F9-N56 HydrophobicContact CZ-CB 4.09Å; K13-N56 WeakPolarHBondContact CE-OD1 3.25Å; K13-N56 PolarHBondContact NZ-OD1 2.71Å; F52-N56 HydrophobicContact CE1-CB 4.43Å; F52-N56 VanDerWaalsContact O-CB 3.28Å; F52-N56 WeakPolarHBondContact O-CB 3.47Å; F52-N56 PolarHBondContact O-N 3.42Å; D53-N56 PolarHBondContact O-N 3.14Å; N54-N56 PolarHBondContact O-N 3.18Å; N56-L58 VanDerWaalsContact C-N 3.33Å; N56-L58 PolarHBondContact O-N 3.18Å; N56-H59 CarbonylContact O-C 3.48Å; N56-H59 PolarHBondContact O-N 3.04Å; N56-N60 PolarHBondContact O-N 3.19Å
57S62.8Low54.6Low79 Ų7980.7 Ų80.755%0.55245%0.45SS*.Hα-helixtrans-64.6-34.5176.977.40000113.2D53 N54D53-S57 WeakPolarHBondContact O-CB 3.3Å; D53-S57 PolarHBondContact O-N 3.41Å; N54-S57 PolarHBondContact O-N 3.07Å; N54-S57 PolarHBondContact O-OG 2.9Å
58L53.6Low54.2Low111 Ų11180.4 Ų80.458%0.58145%0.446SS*.Hα-helixtrans-77.8-32.2176-73.1165000112.6F48 N54 Y55 N56 N60F48-L58 HydrophobicContact CD2-CD1 4.41Å; N54-L58 PolarHBondContact O-N 2.78Å; N54-L58 VanDerWaalsContact O-N 3.15Å; Y55-L58 PolarHBondContact O-N 3.4Å; N56-L58 VanDerWaalsContact C-N 3.33Å; N56-L58 PolarHBondContact O-N 3.18Å; L58-N60 PolarHBondContact O-N 3.19Å
59H51.9Low53.8Low65 Ų6581.5 Ų81.530%0.30145%0.453SS..THydrogen-bonded Turntrans-96.635.3178.7-89.8-85.1000113.6F9 R40 Y55 N56 L61F9-H59 HydrophobicContact CE1-CB 4.31Å; F9-H59 HydrophobicContact CZ-CB 4.45Å; R40-H59 PolarHBondContact NH1-NE2 3.14Å; R40-H59 VanDerWaalsContact NH1-NE2 3.19Å; Y55-H59 AromaticContact CD1-CD2 3.91Å; Y55-H59 AromaticContact CE1-CD2 3.54Å; Y55-H59 AromaticContact CE1-NE2 3.98Å; Y55-H59 WeakPolarHBondContact O-CB 3.4Å; Y55-H59 PolarHBondContact O-N 2.96Å; N56-H59 CarbonylContact O-C 3.48Å; N56-H59 PolarHBondContact O-N 3.04Å; H59-L61 PolarHBondContact O-N 3.37Å
60N41.6Very low53.2Low134 Ų13479.8 Ų79.872%0.71744%0.437SS*.  trans-75.654.4178.4-135.9-2.6000112.3N56 L58 S62N56-N60 PolarHBondContact O-N 3.19Å; L58-N60 PolarHBondContact O-N 3.19Å; N60-S62 PolarHBondContact O-N 3.39Å; N60-S62 VanDerWaalsContact O-N 3.13Å
61L37.2Very low52.6Low112 Ų11283.3 Ų83.359%0.58645%0.447SS*.  trans-77.592.6-176.9-80.8166.5000111H59 K63H59-L61 PolarHBondContact O-N 3.37Å; L61-K63 PolarHBondContact O-N 3.39Å
62S32.5Very low51.3Low118 Ų11885 Ų8583%0.82545%0.451SS*.  trans-71.647.2175.763.60000113.9N60N60-S62 PolarHBondContact O-N 3.39Å; N60-S62 VanDerWaalsContact O-N 3.13Å
63K37.3Very low49.6Very low143 Ų14389.5 Ų89.562%0.62248%0.475SS*.  trans-138.8102.7178-72.8-170.3176.81790111.5L61 S65 V66L61-K63 PolarHBondContact O-N 3.39Å; K63-S65 PolarHBondContact O-N 3.33Å; K63-V66 PolarHBondContact O-N 3.4Å
64P39.7Very low48Very low103 Ų10388.8 Ų88.867%0.66947%0.471SS*.Hα-helixtrans-57.1-20.4178.1-2836.2000115.4V66 L67 V68P64-V66 VanDerWaalsContact C-N 3.3Å; P64-V66 PolarHBondContact O-N 2.9Å; P64-L67 PolarHBondContact O-N 2.98Å; P64-V68 PolarHBondContact O-N 3.44Å; P64-V68 VanDerWaalsContact O-N 3.16Å
65S42Very low46.9Very low69 Ų6989.4 Ų89.448%0.48348%0.476SS..Hα-helixtrans-56.8-40.2178.3570000113.1K63 V68 E69K63-S65 PolarHBondContact O-N 3.33Å; S65-V68 PolarHBondContact O-N 3.32Å; S65-E69 PolarHBondContact O-N 3.4Å
66V43.8Very low45.4Very low48 Ų4895 Ų9529%0.29150%0.501SS..Hα-helixtrans-68.4-40.6-177.5-176.10000110.8K63 P64 V68 E69 Y70K63-V66 PolarHBondContact O-N 3.4Å; P64-V66 VanDerWaalsContact C-N 3.3Å; P64-V66 PolarHBondContact O-N 2.9Å; V66-V68 VanDerWaalsContact C-N 3.3Å; V66-V68 PolarHBondContact O-N 3.34Å; V66-E69 PolarHBondContact O-N 2.81Å; V66-Y70 HydrophobicContact CG1-CD2 3.95Å; V66-Y70 HydrophobicContact CG1-CE2 4.11Å; V66-Y70 WeakPolarHBondContact O-CD2 3.38Å; V66-Y70 PolarHBondContact O-N 3.21Å
67L44.1Very low43.7Very low91 Ų9198.1 Ų98.148%0.47652%0.517SS..Hα-helixtrans-61.7-39.2173.6-81.1167.2000111.4L10 P64 Y70 Y71L10-L67 HydrophobicContact CD2-CD2 3.98Å; P64-L67 PolarHBondContact O-N 2.98Å; L67-Y70 PolarHBondContact O-N 2.85Å; L67-Y71 WeakPolarHBondContact O-CB 3.36Å; L67-Y71 PolarHBondContact O-N 3.08Å
68V46.8Very low42.7Very low77 Ų7799 Ų9947%0.46752%0.519SS..Hα-helixtrans-67-40.2176.4172.80000112.2P64 S65 V66 Y71 Q72P64-V68 PolarHBondContact O-N 3.44Å; P64-V68 VanDerWaalsContact O-N 3.16Å; S65-V68 PolarHBondContact O-N 3.32Å; V66-V68 VanDerWaalsContact C-N 3.3Å; V66-V68 PolarHBondContact O-N 3.34Å; V68-Y71 PolarHBondContact O-N 3.3Å; V68-Q72 WeakPolarHBondContact O-CG 3.29Å; V68-Q72 PolarHBondContact O-N 3.16Å
69E46.3Very low41.9Very low123 Ų123100.1 Ų100.158%0.57552%0.521SS*.Hα-helixtrans-65.2-43.2174.5-72.3-175127.600112.1S65 V66 Y71 Q72 L73S65-E69 PolarHBondContact O-N 3.4Å; V66-E69 PolarHBondContact O-N 2.81Å; E69-Y71 VanDerWaalsContact C-N 3.32Å; E69-Y71 PolarHBondContact O-N 3.45Å; E69-Q72 PolarHBondContact O-N 3.31Å; E69-L73 PolarHBondContact O-N 3.43Å
70Y43.7Very low41.3Very low99 Ų99103.6 Ų103.639%0.38854%0.542SS..Hα-helixtrans-62.9-37172.4-92-93.7000112.3L10 V66 L67 L73 L74L10-Y70 HydrophobicContact CD1-CD1 3.51Å; L10-Y70 HydrophobicContact CD1-CE1 3.85Å; L10-Y70 HydrophobicContact CD1-CG 4.12Å; V66-Y70 HydrophobicContact CG1-CD2 3.95Å; V66-Y70 HydrophobicContact CG1-CE2 4.11Å; V66-Y70 WeakPolarHBondContact O-CD2 3.38Å; V66-Y70 PolarHBondContact O-N 3.21Å; L67-Y70 PolarHBondContact O-N 2.85Å; Y70-L73 PolarHBondContact O-N 3.46Å; Y70-L74 WeakPolarHBondContact O-CB 3.34Å; Y70-L74 PolarHBondContact O-N 2.84Å
71Y46.9Very low40.8Very low125 Ų125104.2 Ų104.249%0.4953%0.534SS..Hα-helixtrans-65.7-39.9173.8-136.7-95.7000111.8L14 L67 V68 E69 L74 V75L14-Y71 HydrophobicContact CD1-CE2 4.01Å; L14-Y71 HydrophobicContact CD2-CE2 4.47Å; L67-Y71 WeakPolarHBondContact O-CB 3.36Å; L67-Y71 PolarHBondContact O-N 3.08Å; V68-Y71 PolarHBondContact O-N 3.3Å; E69-Y71 VanDerWaalsContact C-N 3.32Å; E69-Y71 PolarHBondContact O-N 3.45Å; Y71-L74 PolarHBondContact O-N 3.31Å; Y71-V75 HydrophobicContact CD1-CG2 4.13Å; Y71-V75 HydrophobicContact CE1-CG2 4.46Å; Y71-V75 WeakPolarHBondContact O-CB 3.15Å; Y71-V75 VanDerWaalsContact O-CG2 3.26Å; Y71-V75 WeakPolarHBondContact O-CG2 3.33Å; Y71-V75 PolarHBondContact O-N 2.99Å
72Q45.9Very low40.6Very low93 Ų93105.4 Ų105.444%0.43554%0.541SS..Hα-helixtrans-67.7-36.7175.1-71.9179.734.300112.3V68 E69 K76V68-Q72 WeakPolarHBondContact O-CG 3.29Å; V68-Q72 PolarHBondContact O-N 3.16Å; E69-Q72 PolarHBondContact O-N 3.31Å; Q72-K76 WeakPolarHBondContact O-CB 3.41Å; Q72-K76 WeakPolarHBondContact O-CG 3.42Å; Q72-K76 PolarHBondContact O-N 3.04Å
73L43.3Very low40.5Very low95 Ų95110 Ų11050%0.49754%0.54SS..Hα-helixtrans-65.9-42.1171.5-78.3165.1000111.9E69 Y70 K76 L77E69-L73 PolarHBondContact O-N 3.43Å; Y70-L73 PolarHBondContact O-N 3.46Å; L73-K76 PolarHBondContact O-N 3.38Å; L73-L77 WeakPolarHBondContact O-CB 3.41Å; L73-L77 WeakPolarHBondContact O-CG 3.05Å; L73-L77 PolarHBondContact O-N 3.39Å
74L40.4Very low40Very low70 Ų70106 Ų10637%0.36653%0.53SS..Hα-helixtrans-62.5-46.2173.3-102161.9000111.9L7 Y70 Y71 K76 L77 V78L7-L74 HydrophobicContact CD1-CD1 4.38Å; L7-L74 HydrophobicContact CD1-CD2 4.44Å; Y70-L74 WeakPolarHBondContact O-CB 3.34Å; Y70-L74 PolarHBondContact O-N 2.84Å; Y71-L74 PolarHBondContact O-N 3.31Å; L74-K76 PolarHBondContact O-N 2.96Å; L74-L77 PolarHBondContact O-N 3.32Å; L74-V78 WeakPolarHBondContact O-CB 3.24Å; L74-V78 VanDerWaalsContact O-CG2 3.28Å; L74-V78 WeakPolarHBondContact O-CG2 3.34Å; L74-V78 PolarHBondContact O-N 2.71Å
75V43.9Very low39.5Very low75 Ų75105 Ų10546%0.45553%0.53SS..Hα-helixtrans-63.8-39.2178.1168.50000111.5Y71 V78 H79Y71-V75 HydrophobicContact CD1-CG2 4.13Å; Y71-V75 HydrophobicContact CE1-CG2 4.46Å; Y71-V75 WeakPolarHBondContact O-CB 3.15Å; Y71-V75 VanDerWaalsContact O-CG2 3.26Å; Y71-V75 WeakPolarHBondContact O-CG2 3.33Å; Y71-V75 PolarHBondContact O-N 2.99Å; V75-V78 PolarHBondContact O-N 3.38Å; V75-H79 PolarHBondContact O-N 2.86Å
76K38.5Very low38.9Very low134 Ų134104.8 Ų104.858%0.58353%0.529SS*.Hα-helixtrans-61.6-52.3170.2-80.1-179172.3-175.80111.9Q72 L73 L74 V78 H79 D80Q72-K76 WeakPolarHBondContact O-CB 3.41Å; Q72-K76 WeakPolarHBondContact O-CG 3.42Å; Q72-K76 PolarHBondContact O-N 3.04Å; L73-K76 PolarHBondContact O-N 3.38Å; L74-K76 PolarHBondContact O-N 2.96Å; K76-V78 PolarHBondContact O-N 2.96Å; K76-V78 VanDerWaalsContact O-N 3.13Å; K76-H79 PolarHBondContact O-N 3.23Å; K76-D80 PolarHBondContact O-N 3.41Å
77L36.8Very low38.2Very low97 Ų97107.3 Ų107.351%0.50854%0.537SS..Hα-helixtrans-58.8-26.4177.7-78.6166.2000113.4L73 L74 R81L73-L77 WeakPolarHBondContact O-CB 3.41Å; L73-L77 WeakPolarHBondContact O-CG 3.05Å; L73-L77 PolarHBondContact O-N 3.39Å; L74-L77 PolarHBondContact O-N 3.32Å; L77-R81 WeakPolarHBondContact O-CB 3.26Å; L77-R81 VanDerWaalsContact O-CD 3.29Å; L77-R81 WeakPolarHBondContact O-CD 3.28Å; L77-R81 WeakPolarHBondContact O-CG 3.39Å
78V40.5Very low37.5Very low97 Ų97107.9 Ų107.959%0.58854%0.54SS*.Hα-helixtrans-81.8-38.9173169.10000112.1L74 V75 K76L74-V78 WeakPolarHBondContact O-CB 3.24Å; L74-V78 VanDerWaalsContact O-CG2 3.28Å; L74-V78 WeakPolarHBondContact O-CG2 3.34Å; L74-V78 PolarHBondContact O-N 2.71Å; V75-V78 PolarHBondContact O-N 3.38Å; K76-V78 PolarHBondContact O-N 2.96Å; K76-V78 VanDerWaalsContact O-N 3.13Å
79H38.1Very low36.8Very low135 Ų135112.9 Ų112.963%0.62556%0.556SS**Hα-helixtrans-66.7-48.1176-101.761.2000112.8V75 K76 R81 N82V75-H79 PolarHBondContact O-N 2.86Å; K76-H79 PolarHBondContact O-N 3.23Å; H79-R81 PolarHBondContact O-N 3.06Å; H79-N82 PolarHBondContact O-ND2 3.23Å; H79-N82 VanDerWaalsContact O-ND2 3.08Å
80D37.4Very low36.1Very low137 Ų137112.5 Ų112.573%0.73356%0.562SS**THydrogen-bonded Turntrans-71.1-15.1-175.5-66.2-35.3000113K76 N82K76-D80 PolarHBondContact O-N 3.41Å; D80-N82 PolarHBondContact O-N 2.89Å
81R32.8Very low35.4Very low147 Ų147114 Ų11456%0.55558%0.576SS**THydrogen-bonded Turntrans-87.98.3-177.7-81.4-174.8169.8-161.4-3116.1L77 H79 R83 C84L77-R81 WeakPolarHBondContact O-CB 3.26Å; L77-R81 VanDerWaalsContact O-CD 3.29Å; L77-R81 WeakPolarHBondContact O-CD 3.28Å; L77-R81 WeakPolarHBondContact O-CG 3.39Å; H79-R81 PolarHBondContact O-N 3.06Å; R81-R83 PolarHBondContact O-N 3.19Å; R81-C84 PolarHBondContact O-N 2.75Å
82N31.6Very low34.7Very low138 Ų138114.1 Ų114.174%0.73858%0.584SS**THydrogen-bonded Turntrans-64.911.4176.2-82.4-55.9000116H79 D80H79-N82 PolarHBondContact O-ND2 3.23Å; H79-N82 VanDerWaalsContact O-ND2 3.08Å; D80-N82 PolarHBondContact O-N 2.89Å
83R30.1Very low33.8Very low213 Ų213113.6 Ų113.680%0.80460%0.603SS**THydrogen-bonded Turntrans-115.4-6.6166.5-75.4-174.8170.2-178.3-2.7115.4R81R81-R83 PolarHBondContact O-N 3.19Å
84C27.8Very low33.1Very low60 Ų60116 Ų11641%0.40562%0.615SS.*  trans-120.218.3-169.8-68.40000115.5R81 S86 H87R81-C84 PolarHBondContact O-N 2.75Å; C84-S86 PolarHBondContact O-N 3.37Å; C84-H87 PolarHBondContact O-N 2.83Å
85A28.6Very low32.5Very low81 Ų81120.8 Ų120.867%0.66964%0.635SS**THydrogen-bonded Turntrans-63.7-5.2-179.600000115.4
86S29.7Very low31.7Very low65 Ų65123.9 Ų123.946%0.45565%0.649SS.*THydrogen-bonded Turntrans-78-38.1175.748.90000113.6C84C84-S86 PolarHBondContact O-N 3.37Å
87H29.5Very low31.1Very low102 Ų102126.8 Ų126.847%0.47266%0.662SS.*THydrogen-bonded Turntrans-90.9-19.5-166.8-75.468000114.5C84 K89 T90 H937C84-H87 PolarHBondContact O-N 2.83Å; H87-K89 PolarHBondContact O-N 2.91Å; H87-T90 PolarHBondContact O-N 3.27Å; H87-T90 PolarHBondContact O-OG1 3.47Å; H87-H937 AromaticContact CE1-CE1 3.39Å; H87-H937 PolarHBondContact CE1-CE1 2.88Å; H87-H937 AromaticContact CE1-ND1 3.67Å; H87-H937 AromaticContact CE1-NE2 3.65Å; H87-H937 AromaticContact ND1-CE1 3.41Å; H87-H937 PolarHBondContact ND1-CE1 3.4Å; H87-H937 AromaticContact ND1-NE2 3.8Å
88L29.3Very low30.6Very low102 Ų102131.7 Ų131.753%0.53468%0.68SS.*THydrogen-bonded Turntrans-71.5-17.6172.9-92.8165.6000113.2T90L88-T90 VanDerWaalsContact C-N 3.28Å; L88-T90 PolarHBondContact O-N 3.13Å
89K31.1Very low29.8Very low182 Ų182131 Ų13179%0.79169%0.693SS**THydrogen-bonded Turntrans-71.4-19.4174.6-74.7-171.4173.5-176.10113.9H87H87-K89 PolarHBondContact O-N 2.91Å
90T32.7Very low29.2Very low116 Ų116134.8 Ų134.871%0.71271%0.707SS**SBendtrans-94.7-13.7-176.6-10.40000113.3H87 L88H87-T90 PolarHBondContact O-N 3.27Å; H87-T90 PolarHBondContact O-OG1 3.47Å; L88-T90 VanDerWaalsContact C-N 3.28Å; L88-T90 PolarHBondContact O-N 3.13Å
91L29.7Very low28.6Very low130 Ų130131.6 Ų131.668%0.68170%0.7SS**SBendtrans-98-4.5-172.2-131.9145.2000113.6
92I31.8Very low28.2Very low128 Ų128134.8 Ų134.866%0.65672%0.718SS**SBendtrans-112.487.9170.4-57.1178.4000107.6I94I92-I94 VanDerWaalsContact C-N 3.25Å; I92-I94 PolarHBondContact O-N 3.01Å
93G25.8Very low27.9Very low81 Ų81133.8 Ų133.884%0.83572%0.722SS**  trans-75.360.6-173.800000114.8
94I30.1Very low27.7Very low147 Ų147130 Ų13075%0.75472%0.723SS**  trans-126.588.5170.9-54.3-179.6000109.3I92I92-I94 VanDerWaalsContact C-N 3.25Å; I92-I94 PolarHBondContact O-N 3.01Å
95Q26.9Very low27.5Very low169 Ų169138.3 Ų138.379%0.7975%0.746SS**  trans-76.1147.1167.2-76.5-169.4-11.500111.1
96N27Very low27.4Very low140 Ų140140.6 Ų140.675%0.74976%0.755SS**SBendtrans63.559.4153.4-54.9-20.9000118.7
97K26.8Very low27.1Very low196 Ų196145.4 Ų145.485%0.85277%0.774SS**SBendtrans-156.72.5145.2-117.9161.9-171.1177.20121
98F24.9Very low26.7Very low199 Ų199147.6 Ų147.687%0.87379%0.789SS**  trans-123.758.3177.7-88-77.6000115K100F98-K100 VanDerWaalsContact C-N 3.26Å; F98-K100 PolarHBondContact O-N 3.47Å
99G24.7Very low26.6Very low84 Ų84152.2 Ų152.287%0.86681%0.806SS**THydrogen-bonded Turntrans-78.952.617500000115
100K25.2Very low26.2Very low213 Ų213151.5 Ų151.593%0.92681%0.805SS**THydrogen-bonded Turntrans-164.434171.4-118.1169.5-172.3-178.30116.3F98F98-K100 VanDerWaalsContact C-N 3.26Å; F98-K100 PolarHBondContact O-N 3.47Å
101A24.6Very low25.8Very low70 Ų70154.1 Ų154.158%0.57981%0.811SS**SBendtrans-138157.4167.400000110.4
102F24.5Very low25.7Very low214 Ų214152.3 Ų152.394%0.93981%0.805SS**  trans56.373.8-178.9-64.5-80.9000115.9
103S26.2Very low25.5Very low117 Ų117150.8 Ų150.882%0.81881%0.805SS**  trans-90.2131.3155.7-171.60000110.2R105S103-R105 PolarHBondContact O-N 2.84Å; S103-R105 VanDerWaalsContact O-N 3.08Å
104T25.3Very low25.5Very low135 Ų135153.6 Ų153.683%0.82880%0.795SS**SBendtrans-78.389.2-177.950.10000111.9
105R23.2Very low25.3Very low234 Ų234149.9 Ų149.988%0.88378%0.776SS**  trans-171.7112.2162.2-105.5165.7-170-1753.1110.3S103S103-R105 PolarHBondContact O-N 2.84Å; S103-R105 VanDerWaalsContact O-N 3.08Å
106C25.8Very low25.3Very low129 Ų129149.5 Ų149.587%0.87277%0.774SS**  trans17387147.5-93.20000110.6
107I23.5Very low25.5Very low166 Ų166150.8 Ų150.885%0.85177%0.773SS**  trans-118.394.4144.3-63.5178.3000105
108D22.2Very low25.5Very low147 Ų147147.3 Ų147.379%0.78676%0.755SS**  trans-172.2140.5145.6-98.6-31.4000108.9
109F25.8Very low25.8Very low200 Ų200143.1 Ų143.188%0.87775%0.75SS**  trans-94.1127.3-176.3-88.2-100.8000111.3
110H23.7Very low26.1Very low167 Ų167149 Ų14977%0.77375%0.746SS**  178120.7123.8-112.7-97.4000113.8
111M24.1Very low26.5Very low171 Ų171147.6 Ų147.684%0.84274%0.735SS**  177.2164106.9-89.8-157.872.100110.9
112V27.5Very low26.9Very low91 Ų91148 Ų14855%0.55273%0.734SS**  trans-149.8138.1-165.7173.50000112.5
113S27.1Very low27.3Very low96 Ų96143.3 Ų143.367%0.67172%0.718SS**  trans-154.5134.9161.4171.60000108.5
114K26.8Very low27.8Very low140 Ų140141.8 Ų141.861%0.60970%0.699SS**  cis-160.6152.9-10-103.8-178.8-175.3-179.90107.5
115D25.9Very low28.2Very low69 Ų69140 Ų14037%0.36969%0.685SS.*  cis-151.9-87-46.3-169.7-66.3000109.9K117 R118D115-K117 PolarHBondContact O-N 2.99Å; D115-K117 PolarHBondContact OD1-N 3.5Å; D115-R118 WeakPolarHBondContact OD1-CB 3.43Å; D115-R118 WeakPolarHBondContact OD1-CG 3.4Å; D115-R118 PolarHBondContact OD1-N 2.8Å; D115-R118 WeakPolarHBondContact OD2-CD 3.33Å; D115-R118 VanDerWaalsContact OD2-CG 3.24Å; D115-R118 WeakPolarHBondContact OD2-CG 3.44Å; D115-R118 IonicContact OD2-CZ 2.7Å; D115-R118 IonicContact OD2-NE 3.17Å; D115-R118 IonicContact OD2-NH1 3.86Å; D115-R118 PolarHBondContact OD2-NH1 3.06Å
116H27Very low28.7Very low161 Ų161134 Ų13475%0.74567%0.666SS**SBendtrans39.519.1-177-76-49.4000118.7
117K31.6Very low28.9Very low168 Ų168132.6 Ų132.673%0.7365%0.65SS**  trans-131.42.5171.7-74.5-171.5177.9176.90114.9D115D115-K117 PolarHBondContact O-N 2.99Å; D115-K117 PolarHBondContact OD1-N 3.5Å
118R26.5Very low29.3Very low123 Ų123131 Ų13146%0.46464%0.639SS.*Hα-helixtrans-72.2-30-178.2-86.6-169.9169.4127.7-20.1117.3D115 R120 R121 S122D115-R118 WeakPolarHBondContact OD1-CB 3.43Å; D115-R118 WeakPolarHBondContact OD1-CG 3.4Å; D115-R118 PolarHBondContact OD1-N 2.8Å; D115-R118 WeakPolarHBondContact OD2-CD 3.33Å; D115-R118 VanDerWaalsContact OD2-CG 3.24Å; D115-R118 WeakPolarHBondContact OD2-CG 3.44Å; D115-R118 IonicContact OD2-CZ 2.7Å; D115-R118 IonicContact OD2-NE 3.17Å; D115-R118 IonicContact OD2-NH1 3.86Å; D115-R118 PolarHBondContact OD2-NH1 3.06Å; R118-R120 PolarHBondContact O-N 2.88Å; R118-R121 PolarHBondContact O-N 2.89Å; R118-S122 VanDerWaalsContact O-CB 3.29Å; R118-S122 WeakPolarHBondContact O-CB 3.34Å; R118-S122 PolarHBondContact O-N 3.35Å
119S31.2Very low29.8Very low110 Ų110131.2 Ų131.277%0.76964%0.635SS**Hα-helixtrans-61-43.2-173.91770000113.5L123S119-L123 PolarHBondContact O-N 2.96Å
120R31.6Very low30.1Very low209 Ų209128.8 Ų128.879%0.78963%0.626SS**Hα-helixtrans-74.8-42.1175.9-84.7-177.5170.5161.8-2.7113.3R118 L123 I124R118-R120 PolarHBondContact O-N 2.88Å; R120-L123 PolarHBondContact O-N 2.95Å; R120-I124 HydrophobicContact CB-CD1 4.46Å; R120-I124 WeakPolarHBondContact O-CB 3.16Å; R120-I124 VanDerWaalsContact O-CG1 3.25Å; R120-I124 WeakPolarHBondContact O-CG1 3.33Å; R120-I124 PolarHBondContact O-N 2.89Å
121R32.8Very low30.2Very low182 Ų182124 Ų12469%0.68761%0.611SS**Hα-helixtrans-70.5-31.4-179.3-82.5-177.4171.3168.7-3.8113.6R118 N125R118-R121 PolarHBondContact O-N 2.89Å; R121-N125 VanDerWaalsContact O-CB 3.29Å; R121-N125 WeakPolarHBondContact O-CB 3.36Å; R121-N125 PolarHBondContact O-N 3.46Å; R121-N125 PolarHBondContact O-OD1 3.43Å
122S32.3Very low30.6Very low79 Ų79123.7 Ų123.755%0.55261%0.605SS**Hα-helixtrans-64.3-48.9171.1173.90000111R118 I124 N125 H126R118-S122 VanDerWaalsContact O-CB 3.29Å; R118-S122 WeakPolarHBondContact O-CB 3.34Å; R118-S122 PolarHBondContact O-N 3.35Å; S122-I124 PolarHBondContact O-N 3.39Å; S122-N125 PolarHBondContact O-N 2.84Å; S122-H126 VanDerWaalsContact O-CB 3.28Å; S122-H126 WeakPolarHBondContact O-CB 3.25Å; S122-H126 PolarHBondContact O-N 3.26Å
123L33.4Very low30.6Very low115 Ų115126.7 Ų126.760%0.60262%0.617SS**Hα-helixtrans-63.1-44.5178.3-158.679.2000111.6S119 R120 H126 L127S119-L123 PolarHBondContact O-N 2.96Å; R120-L123 PolarHBondContact O-N 2.95Å; L123-H126 PolarHBondContact O-N 3.11Å; L123-L127 HydrophobicContact CD2-CD1 4.32Å; L123-L127 HydrophobicContact CG-CD1 4.04Å; L123-L127 WeakPolarHBondContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CD1 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.44Å; L123-L127 PolarHBondContact O-N 2.9Å
124I35.9Very low30.7Very low85 Ų85128.3 Ų128.344%0.43661%0.614SS.*Hα-helixtrans-65.7-40.8179.6-70.6166.3000112R120 S122 H128R120-I124 HydrophobicContact CB-CD1 4.46Å; R120-I124 WeakPolarHBondContact O-CB 3.16Å; R120-I124 VanDerWaalsContact O-CG1 3.25Å; R120-I124 WeakPolarHBondContact O-CG1 3.33Å; R120-I124 PolarHBondContact O-N 2.89Å; S122-I124 PolarHBondContact O-N 3.39Å; I124-H128 WeakPolarHBondContact O-CB 3.38Å; I124-H128 PolarHBondContact O-N 3.39Å
125N33.7Very low30.8Very low97 Ų97129.5 Ų129.552%0.51962%0.62SS.*Hα-helixtrans-73.9-36.9178.3-74.217.6000112.3R121 S122 H128 Q129R121-N125 VanDerWaalsContact O-CB 3.29Å; R121-N125 WeakPolarHBondContact O-CB 3.36Å; R121-N125 PolarHBondContact O-N 3.46Å; R121-N125 PolarHBondContact O-OD1 3.43Å; S122-N125 PolarHBondContact O-N 2.84Å; N125-H128 PolarHBondContact O-N 2.67Å; N125-Q129 WeakPolarHBondContact O-CB 3.27Å; N125-Q129 WeakPolarHBondContact O-CG 3.49Å; N125-Q129 PolarHBondContact O-N 3.26Å
126H33.8Very low31Very low108 Ų108133 Ų13350%0.563%0.634SS.*Hα-helixtrans-72.1-34.3177.1-153.27.6000111.1S122 L123 H130S122-H126 VanDerWaalsContact O-CB 3.28Å; S122-H126 WeakPolarHBondContact O-CB 3.25Å; S122-H126 PolarHBondContact O-N 3.26Å; L123-H126 PolarHBondContact O-N 3.11Å; H126-H130 AromaticContact CE1-CD2 3.54Å; H126-H130 AromaticContact CE1-NE2 3.22Å; H126-H130 PolarHBondContact CE1-NE2 3.4Å; H126-H130 AromaticContact ND1-CD2 3.34Å; H126-H130 PolarHBondContact ND1-CD2 2.89Å; H126-H130 VanDerWaalsContact ND1-CD2 3.34Å; H126-H130 AromaticContact ND1-NE2 3.48Å; H126-H130 PolarHBondContact ND1-NE2 3.39Å; H126-H130 PolarHBondContact O-CD2 3.45Å; H126-H130 VanDerWaalsContact O-CD2 3.31Å; H126-H130 PolarHBondContact O-N 3.01Å; H126-H130 VanDerWaalsContact O-N 3.16Å
127L30.6Very low31.8Very low100 Ų100127 Ų12752%0.52461%0.607SS.*Hα-helixtrans-61-55164.8-75.4167.6000110.4L123 Q129 H130 S131L123-L127 HydrophobicContact CD2-CD1 4.32Å; L123-L127 HydrophobicContact CG-CD1 4.04Å; L123-L127 WeakPolarHBondContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CD1 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.44Å; L123-L127 PolarHBondContact O-N 2.9Å; L127-Q129 PolarHBondContact O-N 3.08Å; L127-Q129 VanDerWaalsContact O-N 3.09Å; L127-H130 CarbonylContact O-C 3.58Å; L127-H130 PolarHBondContact O-N 3.24Å; L127-S131 WeakPolarHBondContact O-CA 3.32Å; L127-S131 VanDerWaalsContact O-CB 3.32Å; L127-S131 WeakPolarHBondContact O-CB 3.49Å; L127-S131 PolarHBondContact O-N 2.75Å; L127-S131 PolarHBondContact O-OG 3.38Å
128H32.4Very low32.8Very low133 Ų133122.5 Ų122.562%0.61659%0.59SS**Hα-helixtrans-54.5-32.9177.9-99.7-65000114.3I124 N125I124-H128 WeakPolarHBondContact O-CB 3.38Å; I124-H128 PolarHBondContact O-N 3.39Å; N125-H128 PolarHBondContact O-N 2.67Å
129Q31.3Very low34.8Very low151 Ų151116.7 Ų116.771%0.70657%0.568SS**Hα-helixtrans-76.9-24.7176.4-74.8-179.4-18.100113.8N125 L127N125-Q129 WeakPolarHBondContact O-CB 3.27Å; N125-Q129 WeakPolarHBondContact O-CG 3.49Å; N125-Q129 PolarHBondContact O-N 3.26Å; L127-Q129 PolarHBondContact O-N 3.08Å; L127-Q129 VanDerWaalsContact O-N 3.09Å
130H32.2Very low37.1Very low150 Ų150111.5 Ų111.569%0.69453%0.532SS*.Hα-helixtrans-104-22.2176.8-73.9-62.5000114.7H126 L127 K132H126-H130 AromaticContact CE1-CD2 3.54Å; H126-H130 AromaticContact CE1-NE2 3.22Å; H126-H130 PolarHBondContact CE1-NE2 3.4Å; H126-H130 AromaticContact ND1-CD2 3.34Å; H126-H130 PolarHBondContact ND1-CD2 2.89Å; H126-H130 VanDerWaalsContact ND1-CD2 3.34Å; H126-H130 AromaticContact ND1-NE2 3.48Å; H126-H130 PolarHBondContact ND1-NE2 3.39Å; H126-H130 PolarHBondContact O-CD2 3.45Å; H126-H130 VanDerWaalsContact O-CD2 3.31Å; H126-H130 PolarHBondContact O-N 3.01Å; H126-H130 VanDerWaalsContact O-N 3.16Å; L127-H130 CarbonylContact O-C 3.58Å; L127-H130 PolarHBondContact O-N 3.24Å; H130-K132 PolarHBondContact O-N 2.72Å
131S27.2Very low39.1Very low66 Ų66109.6 Ų109.646%0.46253%0.525SS..  trans-93.336.417577.70000111.1L127 L133L127-S131 WeakPolarHBondContact O-CA 3.32Å; L127-S131 VanDerWaalsContact O-CB 3.32Å; L127-S131 WeakPolarHBondContact O-CB 3.49Å; L127-S131 PolarHBondContact O-N 2.75Å; L127-S131 PolarHBondContact O-OG 3.38Å; S131-L133 PolarHBondContact O-N 3.04Å
132K31.4Very low41.5Very low165 Ų165103.6 Ų103.672%0.71751%0.509SS*.  trans-73.972168.2-163172.8-170.5174.70108.5H130 Q134H130-K132 PolarHBondContact O-N 2.72Å; K132-Q134 HydrophobicContact CG-CG 4.48Å; K132-Q134 PolarHBondContact O-N 2.69Å
133L28.8Very low44.1Very low153 Ų153100.1 Ų100.180%0.80149%0.485SS*.  trans-59.888167.5-90.2164.5000107.8S131 F135S131-L133 PolarHBondContact O-N 3.04Å; L133-F135 PolarHBondContact O-N 3.38Å; L133-F135 VanDerWaalsContact O-N 3.09Å
134Q27.9Very low46.8Very low131 Ų13194.7 Ų94.761%0.61246%0.456SS*.  trans-65.8109.5166.8-65.6-167.9-89.200106.6K132 H136K132-Q134 HydrophobicContact CG-CG 4.48Å; K132-Q134 PolarHBondContact O-N 2.69Å; Q134-H136 VanDerWaalsContact C-N 3.31Å; Q134-H136 PolarHBondContact O-CD2 3.1Å; Q134-H136 PolarHBondContact O-N 3.17Å
135F28.6Very low49.3Very low164 Ų16494 Ų9472%0.71945%0.449SS*.  trans-57.1101.9160.7-78.2-91.3000107L133 I137 L646L133-F135 PolarHBondContact O-N 3.38Å; L133-F135 VanDerWaalsContact O-N 3.09Å; F135-I137 HydrophobicContact CB-CG1 4.44Å; F135-I137 PolarHBondContact O-N 2.94Å; F135-L646 HydrophobicContact CE1-CD1 4.41Å
136H30.1Very low51.9Low143 Ų14389.9 Ų89.966%0.66243%0.427SS*.  trans-74.878.7177.7-78.8-69.1000109Q134 L138Q134-H136 VanDerWaalsContact C-N 3.31Å; Q134-H136 PolarHBondContact O-CD2 3.1Å; Q134-H136 PolarHBondContact O-N 3.17Å; H136-L138 PolarHBondContact O-N 3.2Å
137I43.9Very low54.7Low35 Ų3585.5 Ų85.518%0.17941%0.407CS..  trans-65.3118.6175.7-45.4-174.6000108.2F135 W168 L180 Y522F135-I137 HydrophobicContact CB-CG1 4.44Å; F135-I137 PolarHBondContact O-N 2.94Å; I137-W168 HydrophobicContact CB-CZ3 4.34Å; I137-W168 HydrophobicContact CG2-CH2 3.87Å; I137-W168 HydrophobicContact CG2-CZ3 3.54Å; I137-L180 HydrophobicContact CG2-CB 3.5Å; I137-L180 HydrophobicContact CG2-CD2 4.03Å; I137-L180 HydrophobicContact CG2-CG 4.4Å; I137-Y522 HydrophobicContact CB-CD1 3.98Å; I137-Y522 HydrophobicContact CB-CE1 3.73Å; I137-Y522 HydrophobicContact CD1-CE1 4.37Å; I137-Y522 HydrophobicContact CG1-CE1 4.12Å; I137-Y522 WeakPolarHBondContact O-CD1 3.44Å
138L52.4Low57.5Low74 Ų7482.1 Ų82.139%0.38739%0.389SS..  trans-81.5121.6-176.5-62174.5000109.7H136 K166 F524 P525H136-L138 PolarHBondContact O-N 3.2Å; L138-K166 PolarHBondContact O-NZ 2.95Å; L138-F524 HydrophobicContact CB-CD2 4.2Å; L138-F524 HydrophobicContact CD1-CD2 4.22Å; L138-F524 HydrophobicContact CD1-CE2 4.05Å; L138-F524 HydrophobicContact CD2-CD2 4.03Å; L138-F524 HydrophobicContact CD2-CE2 4.48Å; L138-F524 HydrophobicContact CG-CD2 4.39Å; L138-P525 VanDerWaalsContact CD2-CD 3.47Å; L138-P525 HydrophobicContact CD2-CG 4.37Å
139A68.5Low60.3Low0 Ų076.2 Ų76.20%036%0.361CS..  trans-61-94.6-179.200000112.5K166 G487A139-K166 VanDerWaalsContact O-CD 3.24Å; A139-K166 WeakPolarHBondContact O-CD 3.4Å; A139-K166 WeakPolarHBondContact O-CE 3.1Å; A139-K166 PolarHBondContact O-NZ 2.94Å; A139-G487 WeakPolarHBondContact CB-O 3.47Å
140H79.4Confident63Low1 Ų169 Ų691%0.00533%0.328CS..  trans-134.9155.1166.5-78.2-87.3000109.3T142 I144 T158 S160 D162 T164 G487 F524H140-T142 VanDerWaalsContact C-N 3.27Å; H140-I144 HydrophobicContact CB-CD1 4.4Å; H140-I144 HydrophobicContact CB-CG1 4.08Å; H140-T158 PolarHBondContact CD2-OG1 3.46Å; H140-T158 PolarHBondContact NE2-O 3.18Å; H140-T158 PolarHBondContact NE2-OG1 3.47Å; H140-S160 WeakPolarHBondContact CB-OG 3.18Å; H140-S160 VanDerWaalsContact CG-CB 3.48Å; H140-S160 WeakPolarHBondContact ND1-CB 3.19Å; H140-D162 WeakPolarHBondContact CA-OD2 3.29Å; H140-D162 WeakPolarHBondContact CB-OD2 3.5Å; H140-D162 IonicContact CE1-OD1 3.29Å; H140-D162 IonicContact CG-OD1 3.11Å; H140-D162 IonicContact CG-OD2 3.1Å; H140-D162 VanDerWaalsContact ND1-CG 3.29Å; H140-D162 IonicContact ND1-OD1 2.67Å; H140-D162 PolarHBondContact ND1-OD1 3.37Å; H140-D162 IonicContact ND1-OD2 3.48Å; H140-D162 PolarHBondContact ND1-OD2 3.02Å; H140-D162 VanDerWaalsContact ND1-OD2 3.14Å; H140-T164 PolarHBondContact CE1-O 3.04Å; H140-T164 PolarHBondContact CE1-OG1 3.24Å; H140-G487 PolarHBondContact N-O 3.22Å; H140-F524 VanDerWaalsContact O-CB 3.24Å; H140-F524 WeakPolarHBondContact O-CB 3.32Å
141R74.9Confident65.4Low170 Ų17066 Ų6664%0.64231%0.31SS*.SBendtrans-71.6-25.7-178.7-67.9-174171.6-178.1-0.6112.6D162 F524R141-D162 HydrophobicContact CB-CB 4Å; R141-D162 PolarHBondContact N-OD2 3.12Å; R141-F524 HydrophobicContact CG-CD2 3.97Å; R141-F524 HydrophobicContact CG-CE2 3.74Å; R141-F524 HydrophobicContact CG-CZ 4.09Å
142T83.6Confident68Low56 Ų5664.9 Ų64.934%0.34430%0.296SS..SBendtrans-132.4-160.4-172.650.40000109.3H140 S160 D161 D162 G487H140-T142 VanDerWaalsContact C-N 3.27Å; T142-S160 PolarHBondContact OG1-OG 3.15Å; T142-D161 HydrophobicContact CG2-CB 4.48Å; T142-D161 WeakPolarHBondContact OG1-CB 3.48Å; T142-D162 PolarHBondContact OG1-N 3.3Å; T142-G487 WeakPolarHBondContact O-CA 3.25Å
143A86Confident70.3Confident6 Ų657.8 Ų57.85%0.0527%0.269CS..  trans-68.4169.7-177.200000112.8Y145 S160 D161 V485A143-Y145 HydrophobicContact CB-CE1 4.31Å; A143-S160 WeakPolarHBondContact O-CA 3.38Å; A143-S160 WeakPolarHBondContact O-CB 3.11Å; A143-S160 PolarHBondContact O-OG 3.28Å; A143-D161 VanDerWaalsContact CA-OD1 3.31Å; A143-D161 WeakPolarHBondContact CA-OD1 3.43Å; A143-D161 VanDerWaalsContact CB-OD1 3.23Å; A143-D161 WeakPolarHBondContact CB-OD1 3.34Å; A143-D161 PolarHBondContact N-OD1 2.96Å; A143-V485 HydrophobicContact CB-CB 4.37Å; A143-V485 HydrophobicContact CB-CG2 4.33Å
144I89.9Confident72.8Confident0 Ų051.4 Ų51.40%024%0.236CC..EExtended strand (participates in β ladder)trans-123.2107.3174.3-57.8178000107H140 T158 G159 A469 G484 F489H140-I144 HydrophobicContact CB-CD1 4.4Å; H140-I144 HydrophobicContact CB-CG1 4.08Å; I144-T158 HydrophobicContact CG2-CG2 4.33Å; I144-G159 WeakPolarHBondContact CA-O 3.46Å; I144-G159 WeakPolarHBondContact CG2-O 3.46Å; I144-A469 HydrophobicContact CG2-CB 4.11Å; I144-G484 PolarHBondContact N-O 2.87Å; I144-F489 HydrophobicContact CD1-CB 4.24Å
145Y88.7Confident75.7Confident72 Ų7246.3 Ų46.328%0.28221%0.211SC..EExtended strand (participates in β ladder)trans-85.7-36.2-179.4-66.8-51.5000112.9A143 G159 D161 H468 A469A143-Y145 HydrophobicContact CB-CE1 4.31Å; Y145-G159 PolarHBondContact N-O 3.43Å; Y145-D161 HydrophobicContact CE2-CB 4.33Å; Y145-D161 WeakPolarHBondContact CE2-OD1 3.35Å; Y145-D161 VanDerWaalsContact CE2-OD2 3.3Å; Y145-D161 WeakPolarHBondContact CE2-OD2 3.39Å; Y145-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y145-D161 PolarHBondContact OH-OD2 3.28Å; Y145-H468 HydrophobicContact CD1-CB 3.92Å; Y145-H468 AromaticContact CD1-CG 3.82Å; Y145-H468 AromaticContact CD1-ND1 3.74Å; Y145-H468 AromaticContact CE1-ND1 3.92Å; Y145-A469 WeakPolarHBondContact O-CB 3.29Å
146C89.2Confident78.6Confident10 Ų1038.5 Ų38.57%0.06818%0.177CC..EExtended strand (participates in β ladder)trans-129.4145.1-173.347.10000112.7G159 I192 L194C146-G159 PolarHBondContact O-N 2.72Å; C146-G159 VanDerWaalsContact SG-CA 3.52Å; C146-I192 WeakPolarHBondContact CB-O 3.28Å; C146-L194 HydrophobicContact CB-CB 4.43Å; C146-L194 HydrophobicContact CB-CD1 4.28Å; C146-L194 HydrophobicContact CB-CG 4.09Å
147L91Very high81.5Confident16 Ų1631.7 Ų31.78%0.08415%0.145CC..EExtended strand (participates in β ladder)trans-157.4128-173.4-170.4166.4000109.4V156 F157 T158 A469 S471 A481 F489L147-V156 HydrophobicContact CD2-CG1 3.74Å; L147-V156 HydrophobicContact CG-CG1 4.07Å; L147-F157 VanDerWaalsContact CA-O 3.26Å; L147-F157 WeakPolarHBondContact CA-O 3.49Å; L147-T158 HydrophobicContact CD1-CG2 4.18Å; L147-T158 HydrophobicContact CG-CG2 3.97Å; L147-A469 HydrophobicContact CB-CB 3.46Å; L147-A469 VanDerWaalsContact CB-CB 3.46Å; L147-A469 HydrophobicContact CD1-CB 4.27Å; L147-S471 WeakPolarHBondContact O-CB 3.29Å; L147-A481 HydrophobicContact CD1-CB 4.21Å; L147-A481 HydrophobicContact CD2-CB 3.59Å; L147-F489 HydrophobicContact CD1-CD2 3.75Å; L147-F489 HydrophobicContact CD1-CE2 3.77Å; L147-F489 HydrophobicContact CD2-CE2 4.44Å; L147-F489 HydrophobicContact CG-CE2 4.24Å
148E91Very high83.7Confident28 Ų2830 Ų3013%0.13114%0.137CC..EExtended strand (participates in β ladder)trans-143.3149-177-160.1-178.1-179.300111.3V156 F157 T195 I196E148-V156 CarbonylContact O-C 3.37Å; E148-V156 WeakPolarHBondContact O-CA 3.27Å; E148-F157 PolarHBondContact N-O 2.82Å; E148-F157 VanDerWaalsContact N-O 3.1Å; E148-F157 PolarHBondContact O-N 3.31Å; E148-T195 VanDerWaalsContact OE2-C 3.29Å; E148-T195 WeakPolarHBondContact OE2-CA 3.5Å; E148-T195 PolarHBondContact OE2-N 3.16Å; E148-I196 HydrophobicContact CB-CD1 4.19Å; E148-I196 VanDerWaalsContact CD-CD1 3.46Å; E148-I196 HydrophobicContact CG-CD1 3.82Å; E148-I196 HydrophobicContact CG-CG1 4.49Å; E148-I196 PolarHBondContact OE1-N 3.35Å; E148-I196 WeakPolarHBondContact OE2-CD1 3.42Å; E148-I196 VanDerWaalsContact OE2-CG1 3.3Å; E148-I196 WeakPolarHBondContact OE2-CG1 3.42Å; E148-I196 PolarHBondContact OE2-N 3.31Å; E148-I196 VanDerWaalsContact OE2-N 3.13Å
149F89.8Confident85.5Confident9 Ų926.5 Ų26.54%0.03912%0.118CC..EExtended strand (participates in β ladder)trans-93.7146.6169.6-84.5-95.8000111Y155 V156 V170 I196 S471 P472 P474 I479 A481 L491F149-Y155 WeakPolarHBondContact CA-O 3.3Å; F149-V156 HydrophobicContact CD1-CG2 3.47Å; F149-V156 VanDerWaalsContact CD1-CG2 3.47Å; F149-V156 HydrophobicContact CD2-CG2 4.14Å; F149-V156 HydrophobicContact CE1-CG2 3.36Å; F149-V156 HydrophobicContact CE2-CG2 4.02Å; F149-V156 HydrophobicContact CG-CG2 3.88Å; F149-V156 HydrophobicContact CZ-CG2 3.65Å; F149-V170 HydrophobicContact CE1-CG2 4.18Å; F149-I196 WeakPolarHBondContact O-CD1 3.42Å; F149-S471 WeakPolarHBondContact CE2-O 3.27Å; F149-P472 WeakPolarHBondContact CD2-O 2.9Å; F149-P474 VanDerWaalsContact CB-CD 3.46Å; F149-P474 HydrophobicContact CB-CG 3.77Å; F149-P474 HydrophobicContact CG-CG 4.37Å; F149-I479 HydrophobicContact CZ-CG2 4.42Å; F149-A481 HydrophobicContact CE2-CB 3.76Å; F149-A481 HydrophobicContact CZ-CB 4.16Å; F149-L491 HydrophobicContact CZ-CD2 4.12Å
150D87.5Confident86.5Confident1 Ų126.5 Ų26.51%0.00512%0.118CC..  trans-65.8158.3169.292.1-67.8000112.2R152 G153 N154 Y155 F157 N200D150-R152 PolarHBondContact O-N 2.92Å; D150-R152 WeakPolarHBondContact OD2-CB 3.43Å; D150-R152 PolarHBondContact OD2-N 3.22Å; D150-R152 VanDerWaalsContact OD2-N 3.07Å; D150-G153 PolarHBondContact O-N 2.88Å; D150-G153 WeakPolarHBondContact OD1-CA 3.35Å; D150-G153 PolarHBondContact OD1-N 2.93Å; D150-N154 PolarHBondContact OD1-N 3.46Å; D150-Y155 HydrophobicContact CB-CD2 4.42Å; D150-Y155 PolarHBondContact N-O 3.33Å; D150-Y155 PolarHBondContact OD1-N 3.47Å; D150-F157 HydrophobicContact CB-CE2 3.94Å; D150-N200 PolarHBondContact OD2-ND2 3.03Å
151R84.5Confident86.9Confident87 Ų8727.6 Ų27.633%0.32813%0.125SC..THydrogen-bonded Turntrans-68.9-1.8-175.8-53-60.4-169.8175.8-1.4114.1I196 S197 N200 L895 K903R151-I196 HydrophobicContact CG-CG2 3.98Å; R151-I196 PolarHBondContact NE-O 2.77Å; R151-I196 PolarHBondContact NH2-O 2.83Å; R151-S197 WeakPolarHBondContact CG-O 3.23Å; R151-S197 PolarHBondContact NE-O 2.86Å; R151-N200 HydrophobicContact CB-CB 4.01Å; R151-N200 WeakPolarHBondContact CB-OD1 3.16Å; R151-N200 HydrophobicContact CG-CB 4.21Å; R151-N200 WeakPolarHBondContact CG-OD1 3.26Å; R151-N200 PolarHBondContact N-OD1 3.38Å; R151-L895 HydrophobicContact CB-CD1 4.07Å; R151-K903 PolarHBondContact O-NZ 2.85Å; R151-K903 VanDerWaalsContact O-NZ 3.14Å
152R80.3Confident87.3Confident42 Ų4221 Ų2116%0.15810%0.102CC..THydrogen-bonded Turntrans-112.75.6167.6-66.9-176.7157.2173.84.7114.1D150 N154 E893 P894 L895 D896 E899D150-R152 PolarHBondContact O-N 2.92Å; D150-R152 WeakPolarHBondContact OD2-CB 3.43Å; D150-R152 PolarHBondContact OD2-N 3.22Å; D150-R152 VanDerWaalsContact OD2-N 3.07Å; R152-N154 WeakPolarHBondContact CB-ND2 3.15Å; R152-N154 PolarHBondContact O-N 3.42Å; R152-N154 VanDerWaalsContact O-N 3.12Å; R152-N154 PolarHBondContact O-ND2 2.94Å; R152-N154 PolarHBondContact O-OD1 2.82Å; R152-E893 IonicContact NH1-OE2 2.84Å; R152-E893 PolarHBondContact NH1-OE2 2.84Å; R152-P894 PolarHBondContact NH1-O 2.83Å; R152-P894 PolarHBondContact NH2-O 3.5Å; R152-L895 HydrophobicContact CG-CD2 3.63Å; R152-D896 IonicContact CZ-OD1 3.77Å; R152-D896 IonicContact NH2-OD1 2.67Å; R152-D896 PolarHBondContact NH2-OD1 2.83Å; R152-E899 IonicContact CZ-OE2 3.47Å; R152-E899 IonicContact NE-OE2 2.71Å; R152-E899 PolarHBondContact NE-OE2 3.5Å; R152-E899 IonicContact NH2-OE1 2.71Å; R152-E899 IonicContact NH2-OE2 3.77Å; R152-E899 PolarHBondContact NH2-OE2 2.94Å
153G80.7Confident87.4Confident15 Ų1523.6 Ų23.616%0.15511%0.106CC..SBendtrans65.412.3172.900000116.2D150 F475D150-G153 PolarHBondContact O-N 2.88Å; D150-G153 WeakPolarHBondContact OD1-CA 3.35Å; D150-G153 PolarHBondContact OD1-N 2.93Å; G153-F475 VanDerWaalsContact N-CE2 3.33Å
154N81.8Confident87.4Confident20 Ų2024.1 Ų24.111%0.10711%0.109CC..SBendtrans-89.5-25.5-176.8-61.2-49.4000112.4D150 R152 V170 K171D150-N154 PolarHBondContact OD1-N 3.46Å; R152-N154 WeakPolarHBondContact CB-ND2 3.15Å; R152-N154 PolarHBondContact O-N 3.42Å; R152-N154 VanDerWaalsContact O-N 3.12Å; R152-N154 PolarHBondContact O-ND2 2.94Å; R152-N154 PolarHBondContact O-OD1 2.82Å; N154-V170 PolarHBondContact O-N 2.95Å; N154-K171 HydrophobicContact CB-CD 4.4Å; N154-K171 VanDerWaalsContact OD1-CD 3.27Å; N154-K171 WeakPolarHBondContact OD1-CD 3.11Å; N154-K171 WeakPolarHBondContact OD1-CE 3.29Å; N154-K171 PolarHBondContact OD1-NZ 2.89Å
155Y87.4Confident87.4Confident23 Ų2324.1 Ų24.19%0.0911%0.109CC..EExtended strand (participates in β ladder)trans-130.3150.6-174-51.3-71.7000111.5F149 D150 W168 R181 I892F149-Y155 WeakPolarHBondContact CA-O 3.3Å; D150-Y155 HydrophobicContact CB-CD2 4.42Å; D150-Y155 PolarHBondContact N-O 3.33Å; D150-Y155 PolarHBondContact OD1-N 3.47Å; Y155-W168 CarbonylContact C-O 3.58Å; Y155-W168 WeakPolarHBondContact CA-O 3.45Å; Y155-R181 PolarHBondContact OH-NH1 2.8Å; Y155-R181 PolarHBondContact OH-NH2 3.18Å; Y155-I892 HydrophobicContact CD2-CB 4.3Å; Y155-I892 HydrophobicContact CD2-CD1 3.85Å; Y155-I892 HydrophobicContact CD2-CG1 3.67Å; Y155-I892 HydrophobicContact CD2-CG2 3.88Å; Y155-I892 HydrophobicContact CE2-CB 4.26Å; Y155-I892 HydrophobicContact CE2-CG1 3.86Å; Y155-I892 HydrophobicContact CE2-CG2 3.99Å; Y155-I892 HydrophobicContact CG-CD1 3.98Å; Y155-I892 HydrophobicContact CG-CG1 4.08Å
156V89.9Confident87.3Confident0 Ų021.8 Ų21.80%010%0.1CC..EExtended strand (participates in β ladder)trans-124.4139.4171.3176.30000109L147 E148 F149 T158 W168 V170 F489L147-V156 HydrophobicContact CD2-CG1 3.74Å; L147-V156 HydrophobicContact CG-CG1 4.07Å; E148-V156 CarbonylContact O-C 3.37Å; E148-V156 WeakPolarHBondContact O-CA 3.27Å; F149-V156 HydrophobicContact CD1-CG2 3.47Å; F149-V156 VanDerWaalsContact CD1-CG2 3.47Å; F149-V156 HydrophobicContact CD2-CG2 4.14Å; F149-V156 HydrophobicContact CE1-CG2 3.36Å; F149-V156 HydrophobicContact CE2-CG2 4.02Å; F149-V156 HydrophobicContact CG-CG2 3.88Å; F149-V156 HydrophobicContact CZ-CG2 3.65Å; V156-T158 HydrophobicContact CG1-CG2 4.46Å; V156-W168 HydrophobicContact CB-CB 4.46Å; V156-W168 PolarHBondContact N-O 2.89Å; V156-W168 PolarHBondContact O-N 3.37Å; V156-V170 HydrophobicContact CG2-CG2 3.74Å; V156-F489 HydrophobicContact CB-CZ 4.33Å; V156-F489 HydrophobicContact CG1-CE2 3.69Å; V156-F489 HydrophobicContact CG1-CZ 3.95Å; V156-F489 HydrophobicContact CG2-CZ 4.47Å
157F91.3Very high87.2Confident0 Ų021.4 Ų21.40%010%0.097CC..EExtended strand (participates in β ladder)trans-103.9139.3172.3-56.2-94.5000109L147 E148 D150 I165 K166 V167 L194 I196 L203 L217 I892L147-F157 VanDerWaalsContact CA-O 3.26Å; L147-F157 WeakPolarHBondContact CA-O 3.49Å; E148-F157 PolarHBondContact N-O 2.82Å; E148-F157 VanDerWaalsContact N-O 3.1Å; E148-F157 PolarHBondContact O-N 3.31Å; D150-F157 HydrophobicContact CB-CE2 3.94Å; F157-I165 HydrophobicContact CB-CG2 4.27Å; F157-I165 HydrophobicContact CD1-CG2 4.47Å; F157-K166 CarbonylContact C-O 3.39Å; F157-K166 VanDerWaalsContact CA-O 3.3Å; F157-K166 WeakPolarHBondContact CA-O 3.49Å; F157-V167 HydrophobicContact CD1-CG2 3.89Å; F157-V167 HydrophobicContact CE1-CG1 4.17Å; F157-V167 HydrophobicContact CE1-CG2 3.83Å; F157-L194 HydrophobicContact CB-CD1 4.06Å; F157-I196 HydrophobicContact CD2-CD1 3.49Å; F157-I196 VanDerWaalsContact CD2-CD1 3.49Å; F157-I196 HydrophobicContact CD2-CG1 4.45Å; F157-I196 HydrophobicContact CE2-CD1 3.36Å; F157-I196 HydrophobicContact CE2-CG1 4.23Å; F157-I196 HydrophobicContact CZ-CD1 4.29Å; F157-L203 HydrophobicContact CD1-CD2 3.79Å; F157-L203 HydrophobicContact CE1-CD2 4.01Å; F157-L203 HydrophobicContact CG-CD2 4.49Å; F157-L217 HydrophobicContact CE1-CD2 3.42Å; F157-L217 VanDerWaalsContact CE1-CD2 3.42Å; F157-L217 HydrophobicContact CZ-CD1 3.93Å; F157-L217 HydrophobicContact CZ-CD2 3.48Å; F157-L217 VanDerWaalsContact CZ-CD2 3.48Å; F157-L217 HydrophobicContact CZ-CG 4.33Å; F157-I892 HydrophobicContact CE1-CD1 3.9Å; F157-I892 HydrophobicContact CE2-CD1 4.28Å; F157-I892 HydrophobicContact CZ-CD1 3.35Å
158T90.5Very high87Confident0 Ų020.6 Ų20.60%09%0.093CC..EExtended strand (participates in β ladder)trans-129.8128.2170.352.10000110H140 I144 L147 V156 I165 K166 W168 F489H140-T158 PolarHBondContact CD2-OG1 3.46Å; H140-T158 PolarHBondContact NE2-O 3.18Å; H140-T158 PolarHBondContact NE2-OG1 3.47Å; I144-T158 HydrophobicContact CG2-CG2 4.33Å; L147-T158 HydrophobicContact CD1-CG2 4.18Å; L147-T158 HydrophobicContact CG-CG2 3.97Å; V156-T158 HydrophobicContact CG1-CG2 4.46Å; T158-I165 CarbonylContact O-C 3.5Å; T158-I165 VanDerWaalsContact O-CA 3.29Å; T158-I165 WeakPolarHBondContact O-CA 3.04Å; T158-K166 PolarHBondContact N-O 3.45Å; T158-K166 PolarHBondContact O-N 3.08Å; T158-W168 PolarHBondContact OG1-NE1 3.42Å; T158-F489 HydrophobicContact CG2-CD2 3.61Å; T158-F489 HydrophobicContact CG2-CE2 4.07Å; T158-F489 HydrophobicContact CG2-CG 4.35Å
159G89.8Confident86.5Confident0 Ų020 Ų200%09%0.092CC..EExtended strand (participates in β ladder)trans-112.2149174.300000111.7I144 Y145 C146I144-G159 WeakPolarHBondContact CA-O 3.46Å; I144-G159 WeakPolarHBondContact CG2-O 3.46Å; Y145-G159 PolarHBondContact N-O 3.43Å; C146-G159 PolarHBondContact O-N 2.72Å; C146-G159 VanDerWaalsContact SG-CA 3.52Å
160S89.6Confident85.9Confident0 Ų021.4 Ų21.40%010%0.101CC..EExtended strand (participates in β ladder)trans-150.2159.3-162.3176.60000113.3H140 T142 A143 D162 Y163 I191H140-S160 WeakPolarHBondContact CB-OG 3.18Å; H140-S160 VanDerWaalsContact CG-CB 3.48Å; H140-S160 WeakPolarHBondContact ND1-CB 3.19Å; T142-S160 PolarHBondContact OG1-OG 3.15Å; A143-S160 WeakPolarHBondContact O-CA 3.38Å; A143-S160 WeakPolarHBondContact O-CB 3.11Å; A143-S160 PolarHBondContact O-OG 3.28Å; S160-D162 PolarHBondContact O-N 3.3Å; S160-D162 VanDerWaalsContact O-N 3.13Å; S160-D162 PolarHBondContact OG-N 3.16Å; S160-D162 VanDerWaalsContact OG-N 3.09Å; S160-Y163 PolarHBondContact O-N 3.12Å; S160-I191 PolarHBondContact O-N 2.92Å; S160-I191 VanDerWaalsContact O-N 3.15Å
161D88.2Confident84.8Confident25 Ų2528.3 Ų28.313%0.13413%0.131CC..THydrogen-bonded Turntrans-60.4-8165-1825.2000112.4T142 A143 Y145 Y163 E190T142-D161 HydrophobicContact CG2-CB 4.48Å; T142-D161 WeakPolarHBondContact OG1-CB 3.48Å; A143-D161 VanDerWaalsContact CA-OD1 3.31Å; A143-D161 WeakPolarHBondContact CA-OD1 3.43Å; A143-D161 VanDerWaalsContact CB-OD1 3.23Å; A143-D161 WeakPolarHBondContact CB-OD1 3.34Å; A143-D161 PolarHBondContact N-OD1 2.96Å; Y145-D161 HydrophobicContact CE2-CB 4.33Å; Y145-D161 WeakPolarHBondContact CE2-OD1 3.35Å; Y145-D161 VanDerWaalsContact CE2-OD2 3.3Å; Y145-D161 WeakPolarHBondContact CE2-OD2 3.39Å; Y145-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y145-D161 PolarHBondContact OH-OD2 3.28Å; D161-Y163 VanDerWaalsContact O-CD1 3.22Å; D161-Y163 WeakPolarHBondContact O-CD1 3.46Å; D161-Y163 WeakPolarHBondContact O-CE1 3.25Å; D161-Y163 PolarHBondContact O-N 2.92Å; D161-E190 HydrophobicContact CB-CB 4.3Å; D161-E190 HydrophobicContact CB-CG 3.93Å
162D83Confident83.1Confident30 Ų3025.8 Ų25.816%0.1613%0.133CC..THydrogen-bonded Turntrans-85.411.6172.379.98.8000114.1H140 R141 T142 S160 T164H140-D162 WeakPolarHBondContact CA-OD2 3.29Å; H140-D162 WeakPolarHBondContact CB-OD2 3.5Å; H140-D162 IonicContact CE1-OD1 3.29Å; H140-D162 IonicContact CG-OD1 3.11Å; H140-D162 IonicContact CG-OD2 3.1Å; H140-D162 VanDerWaalsContact ND1-CG 3.29Å; H140-D162 IonicContact ND1-OD1 2.67Å; H140-D162 PolarHBondContact ND1-OD1 3.37Å; H140-D162 IonicContact ND1-OD2 3.48Å; H140-D162 PolarHBondContact ND1-OD2 3.02Å; H140-D162 VanDerWaalsContact ND1-OD2 3.14Å; R141-D162 HydrophobicContact CB-CB 4Å; R141-D162 PolarHBondContact N-OD2 3.12Å; T142-D162 PolarHBondContact OG1-N 3.3Å; S160-D162 PolarHBondContact O-N 3.3Å; S160-D162 VanDerWaalsContact O-N 3.13Å; S160-D162 PolarHBondContact OG-N 3.16Å; S160-D162 VanDerWaalsContact OG-N 3.09Å; D162-T164 PolarHBondContact O-N 2.96Å; D162-T164 PolarHBondContact OD1-N 3.16Å; D162-T164 PolarHBondContact OD1-OG1 3.21Å
163Y86.3Confident81.1Confident112 Ų11228.8 Ų28.844%0.43916%0.16SC..SBendtrans62.816.7175.3-42.5-23.4000113.8S160 D161 A189 E190S160-Y163 PolarHBondContact O-N 3.12Å; D161-Y163 VanDerWaalsContact O-CD1 3.22Å; D161-Y163 WeakPolarHBondContact O-CD1 3.46Å; D161-Y163 WeakPolarHBondContact O-CE1 3.25Å; D161-Y163 PolarHBondContact O-N 2.92Å; Y163-A189 WeakPolarHBondContact CD1-O 3.32Å; Y163-A189 VanDerWaalsContact CE1-C 3.5Å; Y163-E190 HydrophobicContact CE1-CG 3.94Å
164T85.1Confident79.2Confident16 Ų1633.5 Ų33.510%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-119.3146.1178.474.70000113.1H140 D162 T183 R185H140-T164 PolarHBondContact CE1-O 3.04Å; H140-T164 PolarHBondContact CE1-OG1 3.24Å; D162-T164 PolarHBondContact O-N 2.96Å; D162-T164 PolarHBondContact OD1-N 3.16Å; D162-T164 PolarHBondContact OD1-OG1 3.21Å; T164-T183 HydrophobicContact CG2-CG2 4.06Å; T164-R185 HydrophobicContact CG2-CG 4.11Å
165I89.9Confident77.4Confident1 Ų136.9 Ų36.91%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-102.7128.7165-43.6167.9000107.6F157 T158 T183 L184 I191 L194 L203 W215F157-I165 HydrophobicContact CB-CG2 4.27Å; F157-I165 HydrophobicContact CD1-CG2 4.47Å; T158-I165 CarbonylContact O-C 3.5Å; T158-I165 VanDerWaalsContact O-CA 3.29Å; T158-I165 WeakPolarHBondContact O-CA 3.04Å; I165-T183 CarbonylContact O-C 3.4Å; I165-T183 WeakPolarHBondContact O-CA 3.08Å; I165-L184 HydrophobicContact CB-CB 4.1Å; I165-L184 HydrophobicContact CB-CD1 4.15Å; I165-L184 HydrophobicContact CB-CG 4.48Å; I165-L184 HydrophobicContact CD1-CB 4.45Å; I165-L184 HydrophobicContact CD1-CD1 4.09Å; I165-L184 HydrophobicContact CG2-CD1 4.37Å; I165-L184 PolarHBondContact N-O 3.34Å; I165-L184 VanDerWaalsContact N-O 3.13Å; I165-L184 PolarHBondContact O-N 3.16Å; I165-I191 HydrophobicContact CD1-CD1 4.35Å; I165-I191 HydrophobicContact CG1-CD1 3.42Å; I165-I191 VanDerWaalsContact CG1-CD1 3.42Å; I165-L194 HydrophobicContact CD1-CD2 3.75Å; I165-L194 HydrophobicContact CG1-CD2 4.16Å; I165-L194 HydrophobicContact CG2-CD1 4.04Å; I165-L194 HydrophobicContact CG2-CD2 4.21Å; I165-L203 HydrophobicContact CD1-CD2 4.22Å; I165-L203 HydrophobicContact CG2-CD2 4.46Å; I165-W215 HydrophobicContact CD1-CZ2 4.37Å
166K86.3Confident75.7Confident23 Ų2340.1 Ų40.110%0.124%0.236CC..EExtended strand (participates in β ladder)trans-109.7133.8178.5-73.8-179.2-172.6169.50111.9L138 A139 F157 T158 W168 L180 T183L138-K166 PolarHBondContact O-NZ 2.95Å; A139-K166 VanDerWaalsContact O-CD 3.24Å; A139-K166 WeakPolarHBondContact O-CD 3.4Å; A139-K166 WeakPolarHBondContact O-CE 3.1Å; A139-K166 PolarHBondContact O-NZ 2.94Å; F157-K166 CarbonylContact C-O 3.39Å; F157-K166 VanDerWaalsContact CA-O 3.3Å; F157-K166 WeakPolarHBondContact CA-O 3.49Å; T158-K166 PolarHBondContact N-O 3.45Å; T158-K166 PolarHBondContact O-N 3.08Å; K166-W168 HydrophobicContact CB-CZ2 4.08Å; K166-W168 HydrophobicContact CD-CZ2 3.97Å; K166-L180 HydrophobicContact CB-CD1 3.66Å; K166-L180 HydrophobicContact CD-CD1 4.07Å; K166-L180 HydrophobicContact CG-CD1 3.92Å; K166-T183 HydrophobicContact CG-CG2 3.91Å
167V88.4Confident74.1Confident1 Ų142.2 Ų42.21%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-104.1114.3-179.1-173.30000108.4F157 R181 H182 L184 I892F157-V167 HydrophobicContact CD1-CG2 3.89Å; F157-V167 HydrophobicContact CE1-CG1 4.17Å; F157-V167 HydrophobicContact CE1-CG2 3.83Å; V167-R181 PolarHBondContact O-N 3.34Å; V167-H182 HydrophobicContact CB-CB 4.11Å; V167-H182 HydrophobicContact CG2-CB 4.18Å; V167-H182 PolarHBondContact N-O 3.48Å; V167-H182 PolarHBondContact O-N 3.22Å; V167-L184 HydrophobicContact CG2-CG 4.45Å; V167-I892 HydrophobicContact CG1-CD1 3.92Å
168W85.1Confident73.1Confident0 Ų042.2 Ų42.20%025%0.25CS..EExtended strand (participates in β ladder)trans-110.7126.8-176.3-53.185.6000110.3I137 Y155 V156 T158 K166 T179 L180 Y522I137-W168 HydrophobicContact CB-CZ3 4.34Å; I137-W168 HydrophobicContact CG2-CH2 3.87Å; I137-W168 HydrophobicContact CG2-CZ3 3.54Å; Y155-W168 CarbonylContact C-O 3.58Å; Y155-W168 WeakPolarHBondContact CA-O 3.45Å; V156-W168 HydrophobicContact CB-CB 4.46Å; V156-W168 PolarHBondContact N-O 2.89Å; V156-W168 PolarHBondContact O-N 3.37Å; T158-W168 PolarHBondContact OG1-NE1 3.42Å; K166-W168 HydrophobicContact CB-CZ2 4.08Å; K166-W168 HydrophobicContact CD-CZ2 3.97Å; W168-T179 CarbonylContact C-O 3.44Å; W168-T179 WeakPolarHBondContact CA-O 3.49Å; W168-L180 HydrophobicContact CD2-CD1 4.14Å; W168-L180 HydrophobicContact CE3-CB 3.98Å; W168-L180 HydrophobicContact CE3-CD1 4.34Å; W168-L180 HydrophobicContact CH2-CB 4.43Å; W168-L180 HydrophobicContact CH2-CD1 4.34Å; W168-L180 HydrophobicContact CZ2-CD1 4.15Å; W168-L180 HydrophobicContact CZ3-CB 3.92Å; W168-L180 HydrophobicContact CZ3-CD1 4.45Å; W168-Y522 AromaticContact CE3-CD2 3.9Å; W168-Y522 HydrophobicContact CE3-CD2 3.9Å; W168-Y522 HydrophobicContact CE3-CE2 4.05Å; W168-Y522 HydrophobicContact CH2-CD2 4.09Å; W168-Y522 HydrophobicContact CH2-CG 4.27Å; W168-Y522 AromaticContact CZ3-CD2 3.4Å; W168-Y522 HydrophobicContact CZ3-CD2 3.4Å; W168-Y522 AromaticContact CZ3-CE2 3.76Å; W168-Y522 HydrophobicContact CZ3-CE2 3.76Å; W168-Y522 AromaticContact CZ3-CG 3.92Å; W168-Y522 HydrophobicContact CZ3-CG 3.92Å
169S82.3Confident72.2Confident14 Ų1444.9 Ų44.910%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-81129.5169.9-178.30000110.7C178 T179S169-C178 CarbonylContact O-C 3.58Å; S169-C178 WeakPolarHBondContact O-CA 3.17Å; S169-T179 PolarHBondContact N-O 3.27Å; S169-T179 PolarHBondContact O-N 3.42Å
170V76.1Confident71.7Confident39 Ų3947.1 Ų47.124%0.23628%0.279CS..  trans-92.6-21179.8-172.70000111.8F149 N154 V156 G172F149-V170 HydrophobicContact CE1-CG2 4.18Å; N154-V170 PolarHBondContact O-N 2.95Å; V156-V170 HydrophobicContact CG2-CG2 3.74Å; V170-G172 PolarHBondContact O-N 3.36Å
171K65.2Low71Confident146 Ų14652.2 Ų52.264%0.63530%0.298SS*.  trans-76.3112.7-179.2-88.6175.6164.11600112.5N154N154-K171 HydrophobicContact CB-CD 4.4Å; N154-K171 VanDerWaalsContact OD1-CD 3.27Å; N154-K171 WeakPolarHBondContact OD1-CD 3.11Å; N154-K171 WeakPolarHBondContact OD1-CE 3.29Å; N154-K171 PolarHBondContact OD1-NZ 2.89Å
172G49.1Very low70.3Confident35 Ų3554.7 Ų54.736%0.36131%0.308SS..  trans-127.6126.2157.600000109.4V170 S174 T175V170-G172 PolarHBondContact O-N 3.36Å; G172-S174 VanDerWaalsContact C-N 3.35Å; G172-S174 PolarHBondContact O-N 3.27Å; G172-T175 CarbonylContact C-O 3.55Å
173S37Very low70.2Confident105 Ų10555 Ų5573%0.73431%0.311SS*.SBendtrans-86.59.9-163.158.90000116.1
174S40.6Very low69.9Low113 Ų11349.9 Ų49.979%0.7929%0.291SS*.SBendtrans-156.8-47.6-178.857.50000112.2G172G172-S174 VanDerWaalsContact C-N 3.35Å; G172-S174 PolarHBondContact O-N 3.27Å
175T44.7Very low69.5Low91 Ų9155.8 Ų55.856%0.55831%0.312SS*.SBendtrans-98.3135.7158.955.40000109G172 S177G172-T175 CarbonylContact C-O 3.55Å; T175-S177 PolarHBondContact O-N 2.93Å
176P51.5Low68.4Low91 Ų9158.4 Ų58.459%0.59134%0.339SS*.  trans-57.4132.616131-35.3000106.8F520P176-F520 HydrophobicContact CB-CE2 3.81Å; P176-F520 HydrophobicContact CB-CZ 3.66Å; P176-F520 HydrophobicContact CG-CZ 4.1Å; P176-F520 WeakPolarHBondContact O-CZ 3.41Å
177S57Low68Low44 Ų4458 Ų5831%0.30834%0.337SS..  trans-161.196.6-176.1-168.10000109.7T175T175-S177 PolarHBondContact O-N 2.93Å
178C69.4Low67.5Low0 Ų062.4 Ų62.40%036%0.364CS..  trans-75.7125.8174.9-175.70000109.3S169 L491 F520 Y522S169-C178 CarbonylContact O-C 3.58Å; S169-C178 WeakPolarHBondContact O-CA 3.17Å; C178-L491 HydrophobicContact CB-CD1 4.11Å; C178-F520 HydrophobicContact CB-CB 4.36Å; C178-F520 HydrophobicContact CB-CD1 4.44Å; C178-F520 HydrophobicContact CB-CD2 3.71Å; C178-F520 HydrophobicContact CB-CE2 4.41Å; C178-F520 HydrophobicContact CB-CG 3.81Å; C178-Y522 HydrophobicContact CB-CE2 4.23Å; C178-Y522 VanDerWaalsContact O-CE2 3.26Å; C178-Y522 WeakPolarHBondContact O-CE2 3.36Å; C178-Y522 PolarHBondContact O-OH 2.96Å
179T71.6Confident67.4Low56 Ų5662.7 Ų62.734%0.34437%0.367SS..EExtended strand (participates in β ladder)trans-128.7135.8-173.550.60000112.4W168 S169 R181W168-T179 CarbonylContact C-O 3.44Å; W168-T179 WeakPolarHBondContact CA-O 3.49Å; S169-T179 PolarHBondContact N-O 3.27Å; S169-T179 PolarHBondContact O-N 3.42Å; T179-R181 PolarHBondContact O-N 3.17Å
180L78.6Confident67.6Low48 Ų4865.7 Ų65.725%0.25138%0.379SS..EExtended strand (participates in β ladder)trans-67.8119.5173.9-178.970.3000109.6I137 K166 W168 H182I137-L180 HydrophobicContact CG2-CB 3.5Å; I137-L180 HydrophobicContact CG2-CD2 4.03Å; I137-L180 HydrophobicContact CG2-CG 4.4Å; K166-L180 HydrophobicContact CB-CD1 3.66Å; K166-L180 HydrophobicContact CD-CD1 4.07Å; K166-L180 HydrophobicContact CG-CD1 3.92Å; W168-L180 HydrophobicContact CD2-CD1 4.14Å; W168-L180 HydrophobicContact CE3-CB 3.98Å; W168-L180 HydrophobicContact CE3-CD1 4.34Å; W168-L180 HydrophobicContact CH2-CB 4.43Å; W168-L180 HydrophobicContact CH2-CD1 4.34Å; W168-L180 HydrophobicContact CZ2-CD1 4.15Å; W168-L180 HydrophobicContact CZ3-CB 3.92Å; W168-L180 HydrophobicContact CZ3-CD1 4.45Å; L180-H182 WeakPolarHBondContact CD1-O 3.47Å
181R76.6Confident68.3Low107 Ų10763.8 Ų63.840%0.40437%0.367SS..EExtended strand (participates in β ladder)trans-98.5-35.9-178.2-176173175.5105.7-7.2112.1Y155 V167 T179 P890 L891Y155-R181 PolarHBondContact OH-NH1 2.8Å; Y155-R181 PolarHBondContact OH-NH2 3.18Å; V167-R181 PolarHBondContact O-N 3.34Å; T179-R181 PolarHBondContact O-N 3.17Å; R181-P890 PolarHBondContact NH2-O 3.19Å; R181-L891 HydrophobicContact CG-CD1 4.07Å; R181-L891 PolarHBondContact NE-O 2.91Å; R181-L891 PolarHBondContact NH2-O 3.32Å
182H73.4Confident69.3Low76 Ų7659 Ų5935%0.35235%0.349SS..EExtended strand (participates in β ladder)trans-158.7166.4179.9-158.572.7000112.7V167 L180 L891V167-H182 HydrophobicContact CB-CB 4.11Å; V167-H182 HydrophobicContact CG2-CB 4.18Å; V167-H182 PolarHBondContact N-O 3.48Å; V167-H182 PolarHBondContact O-N 3.22Å; L180-H182 WeakPolarHBondContact CD1-O 3.47Å; H182-L891 HydrophobicContact CB-CD1 3.77Å; H182-L891 HydrophobicContact CB-CD2 4.24Å
183T81.1Confident71.2Confident36 Ų3659.4 Ų59.422%0.22134%0.341CS..EExtended strand (participates in β ladder)trans-137.7108.6173-58.10000109.2T164 I165 K166 R185T164-T183 HydrophobicContact CG2-CG2 4.06Å; I165-T183 CarbonylContact O-C 3.4Å; I165-T183 WeakPolarHBondContact O-CA 3.08Å; K166-T183 HydrophobicContact CG-CG2 3.91Å; T183-R185 HydrophobicContact CG2-CG 4.24Å
184L78.6Confident73.8Confident5 Ų555.2 Ų55.23%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-74.8136175.1-50.4168.4000108.5I165 V167 L203 W215 G220I165-L184 HydrophobicContact CB-CB 4.1Å; I165-L184 HydrophobicContact CB-CD1 4.15Å; I165-L184 HydrophobicContact CB-CG 4.48Å; I165-L184 HydrophobicContact CD1-CB 4.45Å; I165-L184 HydrophobicContact CD1-CD1 4.09Å; I165-L184 HydrophobicContact CG2-CD1 4.37Å; I165-L184 PolarHBondContact N-O 3.34Å; I165-L184 VanDerWaalsContact N-O 3.13Å; I165-L184 PolarHBondContact O-N 3.16Å; V167-L184 HydrophobicContact CG2-CG 4.45Å; L184-L203 HydrophobicContact CD1-CD2 3.81Å; L184-W215 HydrophobicContact CB-CD2 4.23Å; L184-W215 HydrophobicContact CB-CE3 4Å; L184-W215 HydrophobicContact CB-CH2 4.03Å; L184-W215 HydrophobicContact CB-CZ2 4.21Å; L184-W215 HydrophobicContact CB-CZ3 3.89Å; L184-W215 HydrophobicContact CD1-CB 4.44Å; L184-W215 HydrophobicContact CD1-CD2 3.95Å; L184-W215 HydrophobicContact CD1-CE3 4.26Å; L184-W215 HydrophobicContact CD1-CG 3.99Å; L184-W215 HydrophobicContact CD2-CD2 4.35Å; L184-W215 HydrophobicContact CD2-CE3 3.84Å; L184-W215 HydrophobicContact CD2-CZ3 4.3Å; L184-W215 HydrophobicContact CG-CD2 4.41Å; L184-W215 HydrophobicContact CG-CE3 4.25Å; L184-G220 WeakPolarHBondContact CD2-O 3.24Å
185R78.1Confident76.2Confident141 Ų14150.4 Ų50.453%0.53228%0.276SS..EExtended strand (participates in β ladder)trans-139.3139.5-178.2-63.5-177.4176.6-176.2-3.3109.3T164 T183 W215T164-R185 HydrophobicContact CG2-CG 4.11Å; T183-R185 HydrophobicContact CG2-CG 4.24Å; R185-W215 WeakPolarHBondContact O-CH2 3.33Å
186G65.7Low78.3Confident55 Ų5546.1 Ų46.157%0.56725%0.249SC*.  trans155.8-19.3-177.400000113.9
187H77.5Confident79.9Confident15 Ų1541.8 Ų41.87%0.06922%0.221CC..  trans-68.1148.8166.6-74.7-64.3000111.2I191 S205 D207 V213H187-I191 HydrophobicContact CB-CD1 4.37Å; H187-I191 HydrophobicContact CB-CG1 4.26Å; H187-S205 PolarHBondContact NE2-OG 2.97Å; H187-D207 HydrophobicContact CB-CB 4.31Å; H187-D207 IonicContact ND1-OD2 2.97Å; H187-V213 VanDerWaalsContact CE1-CG2 3.47Å; H187-V213 WeakPolarHBondContact CE1-CG2 3.36Å
188V77.7Confident81Confident94 Ų9441.3 Ų41.357%0.5722%0.215SC*.SBendtrans-108.5-9.8-177-170.40000111.1D207V188-D207 PolarHBondContact N-OD2 2.87Å
189A83.5Confident81.4Confident6 Ų641.6 Ų41.65%0.0522%0.217CC..SBendtrans-139.4-173176.800000113.3Y163 I191 D207 S208 N209Y163-A189 WeakPolarHBondContact CD1-O 3.32Å; Y163-A189 VanDerWaalsContact CE1-C 3.5Å; A189-I191 PolarHBondContact O-N 3.09Å; A189-D207 HydrophobicContact CB-CB 4.17Å; A189-D207 PolarHBondContact N-OD2 3.16Å; A189-D207 VanDerWaalsContact N-OD2 3.1Å; A189-S208 WeakPolarHBondContact CB-OG 3.42Å; A189-N209 HydrophobicContact CB-CB 4.07Å; A189-N209 WeakPolarHBondContact CB-ND2 3.32Å
190E87.3Confident82.1Confident76 Ų7639 Ų3936%0.35520%0.201SC..  trans-63.8126.5-173.3-54.7179175.400111.2D161 Y163 I192 D207 S208D161-E190 HydrophobicContact CB-CB 4.3Å; D161-E190 HydrophobicContact CB-CG 3.93Å; Y163-E190 HydrophobicContact CE1-CG 3.94Å; E190-I192 PolarHBondContact O-N 2.99Å; E190-D207 CarbonylContact O-C 2.81Å; E190-D207 VanDerWaalsContact O-CA 3.23Å; E190-D207 WeakPolarHBondContact O-CA 3.44Å; E190-S208 PolarHBondContact N-OG 2.67Å; E190-S208 PolarHBondContact O-N 3.33Å
191I89.5Confident82.2Confident0 Ų037.6 Ų37.60%019%0.193CC..EExtended strand (participates in β ladder)trans-79.9110.8-177.4-51.2-175.2000109.4S160 I165 H187 A189 L194 I206S160-I191 PolarHBondContact O-N 2.92Å; S160-I191 VanDerWaalsContact O-N 3.15Å; I165-I191 HydrophobicContact CD1-CD1 4.35Å; I165-I191 HydrophobicContact CG1-CD1 3.42Å; I165-I191 VanDerWaalsContact CG1-CD1 3.42Å; H187-I191 HydrophobicContact CB-CD1 4.37Å; H187-I191 HydrophobicContact CB-CG1 4.26Å; A189-I191 PolarHBondContact O-N 3.09Å; I191-L194 HydrophobicContact CG2-CD2 4.26Å; I191-I206 CarbonylContact C-O 3.59Å; I191-I206 WeakPolarHBondContact CA-O 3.32Å
192I86.8Confident82.7Confident46 Ų4632.5 Ų32.524%0.23617%0.173CC..EExtended strand (participates in β ladder)trans-80.3-45.1-177.5-60.8-177.8000110.3C146 E190 I206 V234C146-I192 WeakPolarHBondContact CB-O 3.28Å; E190-I192 PolarHBondContact O-N 2.99Å; I192-I206 PolarHBondContact N-O 3.44Å; I192-V234 HydrophobicContact CD1-CG1 3.48Å; I192-V234 VanDerWaalsContact CD1-CG1 3.48Å
193E88.2Confident83.5Confident43 Ų4328.9 Ų28.920%0.20116%0.157CC..EExtended strand (participates in β ladder)trans-150.1155.6-163.6-149.2167.9175.300114.4S205 I206 G237 L238E193-S205 WeakPolarHBondContact O-CA 3.28Å; E193-I206 PolarHBondContact O-N 2.84Å; E193-G237 WeakPolarHBondContact OE1-CA 3.39Å; E193-G237 WeakPolarHBondContact OE2-CA 3.48Å; E193-G237 PolarHBondContact OE2-N 3.33Å; E193-L238 HydrophobicContact CB-CB 4.22Å; E193-L238 HydrophobicContact CG-CB 3.94Å; E193-L238 PolarHBondContact OE1-N 2.88Å; E193-L238 PolarHBondContact OE2-N 3.43Å; E193-L238 VanDerWaalsContact OE2-N 3.08Å
194L91.8Very high84Confident16 Ų1627.1 Ų27.18%0.08415%0.146CC..EExtended strand (participates in β ladder)trans-141.5142.8-177.7-63.5174.2000109.5C146 F157 I165 I191 L203 A204 S205C146-L194 HydrophobicContact CB-CB 4.43Å; C146-L194 HydrophobicContact CB-CD1 4.28Å; C146-L194 HydrophobicContact CB-CG 4.09Å; F157-L194 HydrophobicContact CB-CD1 4.06Å; I165-L194 HydrophobicContact CD1-CD2 3.75Å; I165-L194 HydrophobicContact CG1-CD2 4.16Å; I165-L194 HydrophobicContact CG2-CD1 4.04Å; I165-L194 HydrophobicContact CG2-CD2 4.21Å; I191-L194 HydrophobicContact CG2-CD2 4.26Å; L194-L203 HydrophobicContact CB-CD1 4.23Å; L194-L203 HydrophobicContact CD2-CD1 4.28Å; L194-A204 WeakPolarHBondContact CA-O 3.48Å; L194-S205 VanDerWaalsContact CD2-CB 3.44Å
195T91.2Very high84.5Confident13 Ų1326.9 Ų26.98%0.0815%0.145CC..EExtended strand (participates in β ladder)trans-149.1138.3168.1-171.50000111.3E148 A204 L238 F240 L267E148-T195 VanDerWaalsContact OE2-C 3.29Å; E148-T195 WeakPolarHBondContact OE2-CA 3.5Å; E148-T195 PolarHBondContact OE2-N 3.16Å; T195-A204 HydrophobicContact CG2-CB 3.87Å; T195-A204 PolarHBondContact N-O 2.86Å; T195-A204 PolarHBondContact O-N 2.95Å; T195-L238 HydrophobicContact CG2-CD1 4.43Å; T195-L238 HydrophobicContact CG2-CD2 3.96Å; T195-L238 HydrophobicContact CG2-CG 3.64Å; T195-F240 HydrophobicContact CG2-CD2 3.62Å; T195-F240 HydrophobicContact CG2-CE2 4.05Å; T195-F240 HydrophobicContact CG2-CG 4.27Å; T195-F240 WeakPolarHBondContact O-CE2 3.49Å; T195-L267 HydrophobicContact CG2-CD1 4.08Å
196I90.2Very high85Confident0 Ų020.2 Ų20.20%012%0.12CC..EExtended strand (participates in β ladder)trans-103.2139.6-178.5-65.2156.2000111E148 F149 R151 F157 L202 L203 L217 F240E148-I196 HydrophobicContact CB-CD1 4.19Å; E148-I196 VanDerWaalsContact CD-CD1 3.46Å; E148-I196 HydrophobicContact CG-CD1 3.82Å; E148-I196 HydrophobicContact CG-CG1 4.49Å; E148-I196 PolarHBondContact OE1-N 3.35Å; E148-I196 WeakPolarHBondContact OE2-CD1 3.42Å; E148-I196 VanDerWaalsContact OE2-CG1 3.3Å; E148-I196 WeakPolarHBondContact OE2-CG1 3.42Å; E148-I196 PolarHBondContact OE2-N 3.31Å; E148-I196 VanDerWaalsContact OE2-N 3.13Å; F149-I196 WeakPolarHBondContact O-CD1 3.42Å; R151-I196 HydrophobicContact CG-CG2 3.98Å; R151-I196 PolarHBondContact NE-O 2.77Å; R151-I196 PolarHBondContact NH2-O 2.83Å; F157-I196 HydrophobicContact CD2-CD1 3.49Å; F157-I196 VanDerWaalsContact CD2-CD1 3.49Å; F157-I196 HydrophobicContact CD2-CG1 4.45Å; F157-I196 HydrophobicContact CE2-CD1 3.36Å; F157-I196 HydrophobicContact CE2-CG1 4.23Å; F157-I196 HydrophobicContact CZ-CD1 4.29Å; I196-L202 WeakPolarHBondContact CA-O 3.49Å; I196-L203 HydrophobicContact CD1-CD1 4.42Å; I196-L203 HydrophobicContact CG1-CB 4.49Å; I196-L203 HydrophobicContact CG1-CD1 3.58Å; I196-L217 HydrophobicContact CG1-CD1 4.42Å; I196-L217 HydrophobicContact CG2-CD1 3.94Å; I196-F240 VanDerWaalsContact C-CD2 3.44Å
197S85.1Confident85.9Confident0 Ų017.6 Ų17.60%09%0.093CC..  trans-64.5159.9177.258.60000112.4R151 D199 N200 H201 L202R151-S197 WeakPolarHBondContact CG-O 3.23Å; R151-S197 PolarHBondContact NE-O 2.86Å; S197-D199 VanDerWaalsContact CB-OD1 3.28Å; S197-D199 WeakPolarHBondContact CB-OD1 3.39Å; S197-D199 PolarHBondContact O-N 3.03Å; S197-D199 PolarHBondContact OG-OD1 3.02Å; S197-N200 PolarHBondContact O-N 3.27Å; S197-H201 PolarHBondContact OG-N 2.81Å; S197-L202 PolarHBondContact N-O 2.71Å; S197-L202 WeakPolarHBondContact OG-CB 3.37Å; S197-L202 PolarHBondContact OG-N 2.79Å; S197-L202 PolarHBondContact OG-O 3.12Å
198I79.7Confident86.2Confident34 Ų3418.2 Ų18.217%0.17410%0.099CC..THydrogen-bonded Turntrans-65.3-28.3-177.7-166.5166000113N200 L895 L900 K903I198-N200 VanDerWaalsContact C-N 3.34Å; I198-L895 WeakPolarHBondContact O-CD1 3.46Å; I198-L900 HydrophobicContact CG2-CD1 4.31Å; I198-K903 HydrophobicContact CD1-CB 4.34Å; I198-K903 HydrophobicContact CG1-CB 4.47Å
199D77.3Confident86Confident7 Ų717.7 Ų17.74%0.0379%0.093CC..THydrogen-bonded Turntrans-84-1.9-179.363.24.6000114.4S197 H201 H283 L895 L900S197-D199 VanDerWaalsContact CB-OD1 3.28Å; S197-D199 WeakPolarHBondContact CB-OD1 3.39Å; S197-D199 PolarHBondContact O-N 3.03Å; S197-D199 PolarHBondContact OG-OD1 3.02Å; D199-H201 PolarHBondContact O-N 2.88Å; D199-H201 WeakPolarHBondContact OD1-CB 3.38Å; D199-H201 PolarHBondContact OD1-N 3.5Å; D199-H201 IonicContact OD2-CD2 3.89Å; D199-H283 IonicContact OD2-CE1 3.5Å; D199-H283 PolarHBondContact OD2-CE1 2.99Å; D199-H283 VanDerWaalsContact OD2-CE1 3.28Å; D199-H283 IonicContact OD2-ND1 2.71Å; D199-H283 PolarHBondContact OD2-ND1 3.3Å; D199-L895 PolarHBondContact O-N 3.22Å; D199-L895 VanDerWaalsContact O-N 3.12Å; D199-L900 HydrophobicContact CB-CD1 3.82Å; D199-L900 HydrophobicContact CB-CD2 4.05Å
200N85.9Confident85.6Confident1 Ų117.8 Ų17.81%0.0059%0.093CC..SBendtrans61.914.7-176-145.547.8000114.5D150 R151 S197 I198 E893 L895D150-N200 PolarHBondContact OD2-ND2 3.03Å; R151-N200 HydrophobicContact CB-CB 4.01Å; R151-N200 WeakPolarHBondContact CB-OD1 3.16Å; R151-N200 HydrophobicContact CG-CB 4.21Å; R151-N200 WeakPolarHBondContact CG-OD1 3.26Å; R151-N200 PolarHBondContact N-OD1 3.38Å; S197-N200 PolarHBondContact O-N 3.27Å; I198-N200 VanDerWaalsContact C-N 3.34Å; N200-E893 PolarHBondContact ND2-O 3.1Å; N200-L895 HydrophobicContact CB-CD1 4.27Å; N200-L895 HydrophobicContact CB-CG 4.05Å
201H81.5Confident85.2Confident18 Ų1814.8 Ų14.88%0.0838%0.08CC..SBendtrans-86.7-30.9178.1-91.2-91.7000113.8S197 D199 C216 L217 H283 C308 P894S197-H201 PolarHBondContact OG-N 2.81Å; D199-H201 PolarHBondContact O-N 2.88Å; D199-H201 WeakPolarHBondContact OD1-CB 3.38Å; D199-H201 PolarHBondContact OD1-N 3.5Å; D199-H201 IonicContact OD2-CD2 3.89Å; H201-C216 CarbonylContact O-C 3.48Å; H201-C216 WeakPolarHBondContact O-CA 3.49Å; H201-L217 PolarHBondContact O-N 3.37Å; H201-H283 WeakPolarHBondContact CB-CE1 2.94Å; H201-H283 AromaticContact CD2-CE1 4Å; H201-H283 AromaticContact CG-CE1 3.58Å; H201-C308 PolarHBondContact ND1-SG 2.75Å; H201-P894 WeakPolarHBondContact CD2-CB 3.16Å; H201-P894 WeakPolarHBondContact NE2-CB 3.3Å
202L86.7Confident85Confident0 Ų015.2 Ų15.20%08%0.082CC..EExtended strand (participates in β ladder)trans-123.9146.4-169.9-52.4174.5000111.8I196 S197 I214 W215 F240 Y281 H283 V310I196-L202 WeakPolarHBondContact CA-O 3.49Å; S197-L202 PolarHBondContact N-O 2.71Å; S197-L202 WeakPolarHBondContact OG-CB 3.37Å; S197-L202 PolarHBondContact OG-N 2.79Å; S197-L202 PolarHBondContact OG-O 3.12Å; L202-I214 HydrophobicContact CB-CG2 4.18Å; L202-I214 HydrophobicContact CD1-CG2 4.43Å; L202-I214 HydrophobicContact CD2-CG2 4.29Å; L202-W215 VanDerWaalsContact CA-O 3.3Å; L202-W215 WeakPolarHBondContact CA-O 3.28Å; L202-F240 HydrophobicContact CB-CZ 4.28Å; L202-Y281 HydrophobicContact CD1-CE2 4.44Å; L202-H283 HydrophobicContact CD1-CB 4.17Å; L202-V310 HydrophobicContact CD1-CG2 3.63Å; L202-V310 HydrophobicContact CD2-CG2 3.78Å; L202-V310 HydrophobicContact CG-CG2 4.38Å
203L91.3Very high84.9Confident0 Ų013.4 Ų13.40%07%0.074CC..EExtended strand (participates in β ladder)trans-125.9118.4168.8168.275.1000107.6F157 I165 L184 L194 I196 I214 W215 L217F157-L203 HydrophobicContact CD1-CD2 3.79Å; F157-L203 HydrophobicContact CE1-CD2 4.01Å; F157-L203 HydrophobicContact CG-CD2 4.49Å; I165-L203 HydrophobicContact CD1-CD2 4.22Å; I165-L203 HydrophobicContact CG2-CD2 4.46Å; L184-L203 HydrophobicContact CD1-CD2 3.81Å; L194-L203 HydrophobicContact CB-CD1 4.23Å; L194-L203 HydrophobicContact CD2-CD1 4.28Å; I196-L203 HydrophobicContact CD1-CD1 4.42Å; I196-L203 HydrophobicContact CG1-CB 4.49Å; I196-L203 HydrophobicContact CG1-CD1 3.58Å; L203-I214 CarbonylContact O-C 3.53Å; L203-I214 WeakPolarHBondContact O-CA 3.31Å; L203-W215 HydrophobicContact CB-CB 4.41Å; L203-W215 PolarHBondContact N-O 3.43Å; L203-W215 PolarHBondContact O-N 3.33Å; L203-L217 HydrophobicContact CB-CD1 4.25Å; L203-L217 HydrophobicContact CB-CD2 3.56Å; L203-L217 HydrophobicContact CB-CG 3.93Å; L203-L217 HydrophobicContact CD2-CD2 4.11Å; L203-L217 HydrophobicContact CG-CD2 4.45Å
204A90.1Very high84.8Confident0 Ų011.4 Ų11.40%06%0.064CC..EExtended strand (participates in β ladder)trans-89.8146.6167.600000109.6L194 T195 L212 I214 L238 F240 L267L194-A204 WeakPolarHBondContact CA-O 3.48Å; T195-A204 HydrophobicContact CG2-CB 3.87Å; T195-A204 PolarHBondContact N-O 2.86Å; T195-A204 PolarHBondContact O-N 2.95Å; A204-L212 HydrophobicContact CB-CD1 4.23Å; A204-I214 HydrophobicContact CB-CG1 4.33Å; A204-L238 HydrophobicContact CB-CD2 4.14Å; A204-F240 HydrophobicContact CB-CE2 3.76Å; A204-F240 HydrophobicContact CB-CZ 3.82Å; A204-L267 HydrophobicContact CB-CD1 4.01Å; A204-L267 HydrophobicContact CB-CD2 4.35Å
205S90Very high84.5Confident0 Ų010.9 Ų10.90%06%0.061CC..EExtended strand (participates in β ladder)trans-151.5143.7-174.560.30000111.1H187 E193 L194 L212 V213 W215H187-S205 PolarHBondContact NE2-OG 2.97Å; E193-S205 WeakPolarHBondContact O-CA 3.28Å; L194-S205 VanDerWaalsContact CD2-CB 3.44Å; S205-L212 WeakPolarHBondContact O-CA 3.34Å; S205-V213 PolarHBondContact N-O 3.48Å; S205-V213 PolarHBondContact O-N 2.84Å; S205-V213 PolarHBondContact OG-O 2.9Å; S205-W215 PolarHBondContact OG-NE1 3.29Å
206I87.5Confident84.2Confident0 Ų010.5 Ų10.50%06%0.059CC..EExtended strand (participates in β ladder)trans-129137.5-174.4-84.4175.4000111.8I191 I192 E193 C211 L212 L235 L238 V269I191-I206 CarbonylContact C-O 3.59Å; I191-I206 WeakPolarHBondContact CA-O 3.32Å; I192-I206 PolarHBondContact N-O 3.44Å; E193-I206 PolarHBondContact O-N 2.84Å; I206-C211 WeakPolarHBondContact CA-O 3.48Å; I206-L212 HydrophobicContact CD1-CD1 4.31Å; I206-L212 HydrophobicContact CG1-CB 4.25Å; I206-L212 HydrophobicContact CG1-CD1 3.89Å; I206-L235 HydrophobicContact CD1-CB 4.18Å; I206-L235 HydrophobicContact CD1-CD1 3.68Å; I206-L235 HydrophobicContact CG1-CD1 4.19Å; I206-L235 HydrophobicContact CG2-CB 3.78Å; I206-L235 HydrophobicContact CG2-CD1 4.12Å; I206-L235 HydrophobicContact CG2-CG 4.5Å; I206-L238 HydrophobicContact CB-CD2 4.35Å; I206-L238 HydrophobicContact CD1-CB 4.19Å; I206-L238 HydrophobicContact CD1-CD1 3.68Å; I206-L238 HydrophobicContact CD1-CD2 3.93Å; I206-L238 HydrophobicContact CD1-CG 4.12Å; I206-L238 HydrophobicContact CG1-CD1 4.47Å; I206-L238 HydrophobicContact CG1-CD2 3.99Å; I206-V269 HydrophobicContact CD1-CG1 3.7Å
207D86.4Confident83.9Confident0 Ų010.7 Ų10.70%06%0.06CC..EExtended strand (participates in β ladder)trans-103.2167169.4855.4000114.2H187 V188 A189 E190 N209 C210 C211H187-D207 HydrophobicContact CB-CB 4.31Å; H187-D207 IonicContact ND1-OD2 2.97Å; V188-D207 PolarHBondContact N-OD2 2.87Å; A189-D207 HydrophobicContact CB-CB 4.17Å; A189-D207 PolarHBondContact N-OD2 3.16Å; A189-D207 VanDerWaalsContact N-OD2 3.1Å; E190-D207 CarbonylContact O-C 2.81Å; E190-D207 VanDerWaalsContact O-CA 3.23Å; E190-D207 WeakPolarHBondContact O-CA 3.44Å; D207-N209 PolarHBondContact O-N 3.07Å; D207-N209 WeakPolarHBondContact OD1-CA 3.47Å; D207-N209 WeakPolarHBondContact OD1-CB 3.33Å; D207-N209 PolarHBondContact OD1-N 3.03Å; D207-C210 PolarHBondContact O-N 3.01Å; D207-C210 VanDerWaalsContact O-N 3.12Å; D207-C210 PolarHBondContact OD1-N 3Å; D207-C211 PolarHBondContact N-O 3.08Å; D207-C211 VanDerWaalsContact OD1-CB 3.25Å; D207-C211 WeakPolarHBondContact OD1-CB 3.28Å; D207-C211 PolarHBondContact OD1-N 2.89Å; D207-C211 PolarHBondContact OD1-SG 3.11Å; D207-C211 PolarHBondContact OD2-SG 3.24Å
208S82.3Confident83.5Confident29 Ų2912.5 Ų12.520%0.2037%0.068CC..THydrogen-bonded Turntrans-68.7-10.8-179.959.30000115A189 E190 C210A189-S208 WeakPolarHBondContact CB-OG 3.42Å; E190-S208 PolarHBondContact N-OG 2.67Å; E190-S208 PolarHBondContact O-N 3.33Å; S208-C210 VanDerWaalsContact C-N 3.29Å
209N74.7Confident82.9Confident83 Ų8312.4 Ų12.444%0.4447%0.069SC..THydrogen-bonded Turntrans-91.916171.6-78.1-16.4000112.6A189 D207 C211A189-N209 HydrophobicContact CB-CB 4.07Å; A189-N209 WeakPolarHBondContact CB-ND2 3.32Å; D207-N209 PolarHBondContact O-N 3.07Å; D207-N209 WeakPolarHBondContact OD1-CA 3.47Å; D207-N209 WeakPolarHBondContact OD1-CB 3.33Å; D207-N209 PolarHBondContact OD1-N 3.03Å; N209-C211 PolarHBondContact O-N 2.9Å
210C74Confident82.6Confident8 Ų812.5 Ų12.55%0.0547%0.072CC..  trans63.126-178.2-57.20000113.7D207 S208 G228 N232 V234 L235D207-C210 PolarHBondContact O-N 3.01Å; D207-C210 VanDerWaalsContact O-N 3.12Å; D207-C210 PolarHBondContact OD1-N 3Å; S208-C210 VanDerWaalsContact C-N 3.29Å; C210-G228 PolarHBondContact O-N 2.91Å; C210-N232 PolarHBondContact SG-O 3.37Å; C210-V234 VanDerWaalsContact SG-CA 3.59Å; C210-L235 HydrophobicContact CB-CD1 4.08Å; C210-L235 HydrophobicContact CB-CG 4.09Å
211C79.9Confident81.8Confident13 Ų1314.5 Ų14.59%0.0888%0.081CC..EExtended strand (participates in β ladder)trans-82.8123.3171.9-46.30000109.7I206 D207 N209 V226I206-C211 WeakPolarHBondContact CA-O 3.48Å; D207-C211 PolarHBondContact N-O 3.08Å; D207-C211 VanDerWaalsContact OD1-CB 3.25Å; D207-C211 WeakPolarHBondContact OD1-CB 3.28Å; D207-C211 PolarHBondContact OD1-N 2.89Å; D207-C211 PolarHBondContact OD1-SG 3.11Å; D207-C211 PolarHBondContact OD2-SG 3.24Å; N209-C211 PolarHBondContact O-N 2.9Å; C211-V226 CarbonylContact C-O 3.58Å; C211-V226 VanDerWaalsContact CA-O 3.25Å; C211-V226 WeakPolarHBondContact CA-O 3.2Å
212L85.3Confident81.5Confident8 Ų816.9 Ų16.94%0.04210%0.098CC..EExtended strand (participates in β ladder)trans-100.3125.5170.6168.766000108.6A204 S205 I206 V226 L238 L267 I279A204-L212 HydrophobicContact CB-CD1 4.23Å; S205-L212 WeakPolarHBondContact O-CA 3.34Å; I206-L212 HydrophobicContact CD1-CD1 4.31Å; I206-L212 HydrophobicContact CG1-CB 4.25Å; I206-L212 HydrophobicContact CG1-CD1 3.89Å; L212-V226 HydrophobicContact CB-CB 4.17Å; L212-V226 HydrophobicContact CB-CG1 4.11Å; L212-V226 PolarHBondContact N-O 3.04Å; L212-V226 PolarHBondContact O-N 2.94Å; L212-L238 HydrophobicContact CD1-CD1 4.34Å; L212-L267 HydrophobicContact CD1-CD2 4.02Å; L212-L267 HydrophobicContact CD2-CD2 3.7Å; L212-L267 HydrophobicContact CG-CD2 4.5Å; L212-I279 HydrophobicContact CD2-CD1 4.13Å
213V83.9Confident80.9Confident8 Ų819.3 Ų19.35%0.04811%0.113CC..EExtended strand (participates in β ladder)trans-125.7126.1174.5-175.40000110H187 S205 W215 P222 V224 A225H187-V213 VanDerWaalsContact CE1-CG2 3.47Å; H187-V213 WeakPolarHBondContact CE1-CG2 3.36Å; S205-V213 PolarHBondContact N-O 3.48Å; S205-V213 PolarHBondContact O-N 2.84Å; S205-V213 PolarHBondContact OG-O 2.9Å; V213-W215 HydrophobicContact CB-CZ2 4.25Å; V213-W215 HydrophobicContact CG1-CD2 4.09Å; V213-W215 HydrophobicContact CG1-CH2 4.28Å; V213-W215 HydrophobicContact CG1-CZ2 3.63Å; V213-P222 HydrophobicContact CG1-CB 3.69Å; V213-V224 WeakPolarHBondContact CA-O 3.26Å; V213-A225 HydrophobicContact CG2-CB 4.24Å
214I87Confident80Confident2 Ų220.6 Ų20.61%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-104117.4175.3-54.4178.5000108.3L202 L203 A204 V223 V224 L312L202-I214 HydrophobicContact CB-CG2 4.18Å; L202-I214 HydrophobicContact CD1-CG2 4.43Å; L202-I214 HydrophobicContact CD2-CG2 4.29Å; L203-I214 CarbonylContact O-C 3.53Å; L203-I214 WeakPolarHBondContact O-CA 3.31Å; A204-I214 HydrophobicContact CB-CG1 4.33Å; I214-V223 PolarHBondContact O-N 2.93Å; I214-V224 HydrophobicContact CB-CB 4.29Å; I214-V224 HydrophobicContact CD1-CB 4.41Å; I214-V224 HydrophobicContact CG1-CB 4.5Å; I214-V224 PolarHBondContact N-O 3.28Å; I214-V224 PolarHBondContact O-N 3.41Å; I214-L312 HydrophobicContact CD1-CD1 4.2Å; I214-L312 HydrophobicContact CD1-CD2 4.1Å
215W85.6Confident79.4Confident5 Ų522.5 Ų22.52%0.01914%0.137CC..EExtended strand (participates in β ladder)trans-100.3141.3-179.6-49.182.4000111.2I165 L184 R185 L202 L203 S205 V213 L217 Q221 P222I165-W215 HydrophobicContact CD1-CZ2 4.37Å; L184-W215 HydrophobicContact CB-CD2 4.23Å; L184-W215 HydrophobicContact CB-CE3 4Å; L184-W215 HydrophobicContact CB-CH2 4.03Å; L184-W215 HydrophobicContact CB-CZ2 4.21Å; L184-W215 HydrophobicContact CB-CZ3 3.89Å; L184-W215 HydrophobicContact CD1-CB 4.44Å; L184-W215 HydrophobicContact CD1-CD2 3.95Å; L184-W215 HydrophobicContact CD1-CE3 4.26Å; L184-W215 HydrophobicContact CD1-CG 3.99Å; L184-W215 HydrophobicContact CD2-CD2 4.35Å; L184-W215 HydrophobicContact CD2-CE3 3.84Å; L184-W215 HydrophobicContact CD2-CZ3 4.3Å; L184-W215 HydrophobicContact CG-CD2 4.41Å; L184-W215 HydrophobicContact CG-CE3 4.25Å; R185-W215 WeakPolarHBondContact O-CH2 3.33Å; L202-W215 VanDerWaalsContact CA-O 3.3Å; L202-W215 WeakPolarHBondContact CA-O 3.28Å; L203-W215 HydrophobicContact CB-CB 4.41Å; L203-W215 PolarHBondContact N-O 3.43Å; L203-W215 PolarHBondContact O-N 3.33Å; S205-W215 PolarHBondContact OG-NE1 3.29Å; V213-W215 HydrophobicContact CB-CZ2 4.25Å; V213-W215 HydrophobicContact CG1-CD2 4.09Å; V213-W215 HydrophobicContact CG1-CH2 4.28Å; V213-W215 HydrophobicContact CG1-CZ2 3.63Å; W215-L217 PolarHBondContact O-N 3.17Å; W215-Q221 CarbonylContact C-O 3.48Å; W215-Q221 VanDerWaalsContact CA-O 3.31Å; W215-Q221 WeakPolarHBondContact CA-O 3.23Å; W215-P222 HydrophobicContact CE3-CB 4.13Å; W215-P222 HydrophobicContact CE3-CG 4.48Å; W215-P222 HydrophobicContact CZ3-CB 4.17Å; W215-P222 HydrophobicContact CZ3-CG 4.18Å
216C83.6Confident78.5Confident4 Ų423.1 Ų23.13%0.02714%0.14CC..EExtended strand (participates in β ladder)trans-81.2111.4164.2-177.70000109.1H201 K218 T219 G220 Q221 V223H201-C216 CarbonylContact O-C 3.48Å; H201-C216 WeakPolarHBondContact O-CA 3.49Å; C216-K218 PolarHBondContact O-N 3.18Å; C216-T219 WeakPolarHBondContact CB-OG1 3.45Å; C216-T219 PolarHBondContact O-N 2.82Å; C216-G220 PolarHBondContact O-N 3.14Å; C216-Q221 PolarHBondContact N-O 3.45Å; C216-V223 HydrophobicContact CB-CG2 3.54Å
217L83.4Confident77.6Confident5 Ų528.1 Ų28.13%0.02616%0.159CC..THydrogen-bonded Turntrans-62.8-23.6179.7-69.2-177000113F157 I196 H201 L203 W215 L891 I892F157-L217 HydrophobicContact CE1-CD2 3.42Å; F157-L217 VanDerWaalsContact CE1-CD2 3.42Å; F157-L217 HydrophobicContact CZ-CD1 3.93Å; F157-L217 HydrophobicContact CZ-CD2 3.48Å; F157-L217 VanDerWaalsContact CZ-CD2 3.48Å; F157-L217 HydrophobicContact CZ-CG 4.33Å; I196-L217 HydrophobicContact CG1-CD1 4.42Å; I196-L217 HydrophobicContact CG2-CD1 3.94Å; H201-L217 PolarHBondContact O-N 3.37Å; L203-L217 HydrophobicContact CB-CD1 4.25Å; L203-L217 HydrophobicContact CB-CD2 3.56Å; L203-L217 HydrophobicContact CB-CG 3.93Å; L203-L217 HydrophobicContact CD2-CD2 4.11Å; L203-L217 HydrophobicContact CG-CD2 4.45Å; W215-L217 PolarHBondContact O-N 3.17Å; L217-L891 WeakPolarHBondContact O-CB 3.02Å; L217-I892 HydrophobicContact CB-CB 4.22Å; L217-I892 HydrophobicContact CD2-CD1 4.36Å; L217-I892 PolarHBondContact O-N 2.95Å; L217-I892 VanDerWaalsContact O-N 3.08Å
218K76.5Confident76.2Confident37 Ų3729 Ų2916%0.16117%0.168CC..THydrogen-bonded Turntrans-71-34.6176.8-165.6171.2-176.5162.10113.3C216 I306 L885 P890 L891C216-K218 PolarHBondContact O-N 3.18Å; K218-I306 HydrophobicContact CD-CG2 4.36Å; K218-L885 WeakPolarHBondContact O-CD1 3.1Å; K218-P890 HydrophobicContact CD-CB 4.49Å; K218-P890 HydrophobicContact CG-CB 3.65Å; K218-L891 PolarHBondContact O-N 3.21Å
219T68.4Low74.6Confident32 Ų3230.2 Ų30.220%0.19618%0.176CC..THydrogen-bonded Turntrans-112.9-16.4-174.664.30000114.6C216 Q221C216-T219 WeakPolarHBondContact CB-OG1 3.45Å; C216-T219 PolarHBondContact O-N 2.82Å; T219-Q221 PolarHBondContact O-N 3.45Å; T219-Q221 PolarHBondContact OG1-N 2.81Å
220G71.5Confident73.3Confident10 Ų1035.9 Ų35.910%0.10319%0.192CC..THydrogen-bonded Turntrans75.35-173.300000114.7L184 C216 L891L184-G220 WeakPolarHBondContact CD2-O 3.24Å; C216-G220 PolarHBondContact O-N 3.14Å; G220-L891 VanDerWaalsContact CA-CD2 3.5Å
221Q67.8Low72Confident43 Ų4341.8 Ų41.820%0.20122%0.223CC..EExtended strand (participates in β ladder)trans-93.3149.8-178.5-66.1-168.5-82.200112.7W215 C216 T219 R798W215-Q221 CarbonylContact C-O 3.48Å; W215-Q221 VanDerWaalsContact CA-O 3.31Å; W215-Q221 WeakPolarHBondContact CA-O 3.23Å; C216-Q221 PolarHBondContact N-O 3.45Å; T219-Q221 PolarHBondContact O-N 3.45Å; T219-Q221 PolarHBondContact OG1-N 2.81Å; Q221-R798 VanDerWaalsContact NE2-NH2 3.15Å
222P75.6Confident70.6Confident68 Ų6843.7 Ų43.744%0.44223%0.232SC..EExtended strand (participates in β ladder)trans-66.3131.5162.331.2-32.4000109V213 W215V213-P222 HydrophobicContact CG1-CB 3.69Å; W215-P222 HydrophobicContact CE3-CB 4.13Å; W215-P222 HydrophobicContact CE3-CG 4.48Å; W215-P222 HydrophobicContact CZ3-CB 4.17Å; W215-P222 HydrophobicContact CZ3-CG 4.18Å
223V73.7Confident69.2Low51 Ų5150.3 Ų50.331%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-95.5-37172.8-176.90000110I214 C216 V310I214-V223 PolarHBondContact O-N 2.93Å; C216-V223 HydrophobicContact CB-CG2 3.54Å; V223-V310 HydrophobicContact CG1-CB 4.12Å; V223-V310 HydrophobicContact CG1-CG2 4.09Å
224V73.7Confident68.3Low27 Ų2752.6 Ų52.616%0.16427%0.27CS..EExtended strand (participates in β ladder)trans-135.3131.1174.1-176.70000108.3V213 I214 V226 V310 L312V213-V224 WeakPolarHBondContact CA-O 3.26Å; I214-V224 HydrophobicContact CB-CB 4.29Å; I214-V224 HydrophobicContact CD1-CB 4.41Å; I214-V224 HydrophobicContact CG1-CB 4.5Å; I214-V224 PolarHBondContact N-O 3.28Å; I214-V224 PolarHBondContact O-N 3.41Å; V224-V226 HydrophobicContact CG1-CG2 3.8Å; V224-V310 HydrophobicContact CG2-CB 4.3Å; V224-V310 HydrophobicContact CG2-CG1 4.46Å; V224-L312 HydrophobicContact CG1-CD1 3.85Å
225A77.6Confident67.5Low40 Ų4053.2 Ų53.233%0.33127%0.274SS..EExtended strand (participates in β ladder)trans-117.7137.8163.200000107.7V213 I851V213-A225 HydrophobicContact CG2-CB 4.24Å; A225-I851 WeakPolarHBondContact O-CG2 3.21Å
226V69.6Low67Low13 Ų1353.4 Ų53.48%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-138.8128.2-173.1151.70000107.9C211 L212 V224 F853C211-V226 CarbonylContact C-O 3.58Å; C211-V226 VanDerWaalsContact CA-O 3.25Å; C211-V226 WeakPolarHBondContact CA-O 3.2Å; L212-V226 HydrophobicContact CB-CB 4.17Å; L212-V226 HydrophobicContact CB-CG1 4.11Å; L212-V226 PolarHBondContact N-O 3.04Å; L212-V226 PolarHBondContact O-N 2.94Å; V224-V226 HydrophobicContact CG1-CG2 3.8Å; V226-F853 HydrophobicContact CB-CE2 4.13Å; V226-F853 HydrophobicContact CB-CZ 4.1Å; V226-F853 HydrophobicContact CG1-CD2 4.07Å; V226-F853 HydrophobicContact CG1-CE1 4.32Å; V226-F853 HydrophobicContact CG1-CE2 3.27Å; V226-F853 HydrophobicContact CG1-CZ 3.44Å; V226-F853 VanDerWaalsContact CG1-CZ 3.44Å; V226-F853 HydrophobicContact CG2-CD1 3.72Å; V226-F853 HydrophobicContact CG2-CD2 3.93Å; V226-F853 HydrophobicContact CG2-CE1 3.49Å; V226-F853 VanDerWaalsContact CG2-CE1 3.49Å; V226-F853 HydrophobicContact CG2-CE2 3.69Å; V226-F853 HydrophobicContact CG2-CG 3.96Å; V226-F853 HydrophobicContact CG2-CZ 3.48Å; V226-F853 VanDerWaalsContact CG2-CZ 3.48Å
227R68.5Low66.6Low104 Ų10453.2 Ų53.239%0.39228%0.275SS..EExtended strand (participates in β ladder)trans-103.4123.6171.8-156.1175.1-160.1172.37.3111D850 I851R227-D850 IonicContact NH1-OD1 2.9Å; R227-D850 PolarHBondContact NH1-OD1 3.49Å; R227-I851 PolarHBondContact N-O 2.87Å
228G56.9Low66.8Low18 Ų1853.3 Ų53.319%0.18628%0.275CS..PPolyproline II helixtrans-66.1144.216900000111.5C210C210-G228 PolarHBondContact O-N 2.91Å
229S49.8Very low67.3Low55 Ų5552.2 Ų52.239%0.38527%0.273SS..PPolyproline II helixtrans-54.2141.5170.7174.20000111N231 N232S229-N231 PolarHBondContact O-N 3.23Å; S229-N232 WeakPolarHBondContact O-CB 3.45Å; S229-N232 PolarHBondContact O-N 2.82Å
230R48.3Very low68.1Low203 Ų20352 Ų5277%0.76627%0.269SS*.THydrogen-bonded Turntrans-53.7-21.5179.5-63.4-175.8-175.1179.63.2114
231N46.3Very low68.4Low132 Ų13252 Ų5271%0.70627%0.266SS*.THydrogen-bonded Turntrans-81.3-16.6178-67-20.7000113.9S229 R233S229-N231 PolarHBondContact O-N 3.23Å; N231-R233 PolarHBondContact O-N 2.52Å
232N50.8Low68.4Low53 Ų5350.9 Ų50.928%0.28326%0.262SS..SBendtrans-75.7114.3174.1-74.9-16.9000109.4C210 S229C210-N232 PolarHBondContact SG-O 3.37Å; S229-N232 WeakPolarHBondContact O-CB 3.45Å; S229-N232 PolarHBondContact O-N 2.82Å
233R54.7Low67.7Low146 Ų14649.2 Ų49.255%0.55125%0.251SS*.  trans-57148169-65.5-176.6-178.7166.71.7110.4N231 F272N231-R233 PolarHBondContact O-N 2.52Å; R233-F272 HydrophobicContact CB-CB 4.38Å
234V64.4Low66.6Low56 Ų5648.5 Ų48.534%0.33925%0.247SC..  trans-32.4141.2179.6-1740000113.1I192 C210 F272I192-V234 HydrophobicContact CD1-CG1 3.48Å; I192-V234 VanDerWaalsContact CD1-CG1 3.48Å; C210-V234 VanDerWaalsContact SG-CA 3.59Å; V234-F272 HydrophobicContact CB-CD2 3.82Å; V234-F272 HydrophobicContact CB-CE2 4.47Å; V234-F272 HydrophobicContact CG1-CD2 4.03Å; V234-F272 HydrophobicContact CG1-CE2 4.2Å; V234-F272 VanDerWaalsContact O-CD2 3.25Å; V234-F272 WeakPolarHBondContact O-CD2 3.45Å; V234-F272 PolarHBondContact O-N 3.28Å
235L71.9Confident65.5Low16 Ų1652.3 Ų52.38%0.08426%0.261CS..EExtended strand (participates in β ladder)trans-82.8149.5179-56.4177.9000110.8I206 C210 V269 S270I206-L235 HydrophobicContact CD1-CB 4.18Å; I206-L235 HydrophobicContact CD1-CD1 3.68Å; I206-L235 HydrophobicContact CG1-CD1 4.19Å; I206-L235 HydrophobicContact CG2-CB 3.78Å; I206-L235 HydrophobicContact CG2-CD1 4.12Å; I206-L235 HydrophobicContact CG2-CG 4.5Å; C210-L235 HydrophobicContact CB-CD1 4.08Å; C210-L235 HydrophobicContact CB-CG 4.09Å; L235-V269 HydrophobicContact CB-CG1 4.46Å; L235-V269 HydrophobicContact CD1-CG1 3.92Å; L235-V269 HydrophobicContact CD2-CG1 4.06Å; L235-V269 HydrophobicContact CG-CG1 4.35Å; L235-S270 CarbonylContact C-O 3.56Å; L235-S270 WeakPolarHBondContact CA-O 3.4Å
236S73.6Confident63.6Low9 Ų956.1 Ų56.16%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-142.210.6-161.5660000115.6S270 F272 I333S236-S270 VanDerWaalsContact C-OG 3.31Å; S236-S270 PolarHBondContact N-O 3.29Å; S236-S270 PolarHBondContact O-OG 2.74Å; S236-S270 PolarHBondContact OG-O 3.21Å; S236-S270 PolarHBondContact OG-OG 3.28Å; S236-F272 VanDerWaalsContact CB-CE2 3.49Å; S236-I333 WeakPolarHBondContact CB-O 3.38Å; S236-I333 PolarHBondContact OG-O 3.3Å
237G75.8Confident61.7Low0 Ų061.7 Ų61.70%031%0.309CS..EExtended strand (participates in β ladder)trans178.9135.6-174.700000111.3E193 V269 S270 I336E193-G237 WeakPolarHBondContact OE1-CA 3.39Å; E193-G237 WeakPolarHBondContact OE2-CA 3.48Å; E193-G237 PolarHBondContact OE2-N 3.33Å; G237-V269 CarbonylContact O-C 3.56Å; G237-V269 VanDerWaalsContact O-CA 3.31Å; G237-V269 WeakPolarHBondContact O-CA 3.35Å; G237-S270 VanDerWaalsContact CA-OG 3.25Å; G237-S270 WeakPolarHBondContact CA-OG 3.4Å; G237-S270 PolarHBondContact N-OG 3.22Å; G237-S270 VanDerWaalsContact N-OG 3.16Å; G237-S270 PolarHBondContact O-N 3.34Å; G237-I336 VanDerWaalsContact CA-CG2 3.42Å
238L88.2Confident59.6Low7 Ų767 Ų674%0.03733%0.329CS..EExtended strand (participates in β ladder)trans-148.1118-174.7-17662.6000111.5E193 T195 A204 I206 L212 L267 I268 V269E193-L238 HydrophobicContact CB-CB 4.22Å; E193-L238 HydrophobicContact CG-CB 3.94Å; E193-L238 PolarHBondContact OE1-N 2.88Å; E193-L238 PolarHBondContact OE2-N 3.43Å; E193-L238 VanDerWaalsContact OE2-N 3.08Å; T195-L238 HydrophobicContact CG2-CD1 4.43Å; T195-L238 HydrophobicContact CG2-CD2 3.96Å; T195-L238 HydrophobicContact CG2-CG 3.64Å; A204-L238 HydrophobicContact CB-CD2 4.14Å; I206-L238 HydrophobicContact CB-CD2 4.35Å; I206-L238 HydrophobicContact CD1-CB 4.19Å; I206-L238 HydrophobicContact CD1-CD1 3.68Å; I206-L238 HydrophobicContact CD1-CD2 3.93Å; I206-L238 HydrophobicContact CD1-CG 4.12Å; I206-L238 HydrophobicContact CG1-CD1 4.47Å; I206-L238 HydrophobicContact CG1-CD2 3.99Å; L212-L238 HydrophobicContact CD1-CD1 4.34Å; L238-L267 HydrophobicContact CD1-CD1 3.72Å; L238-L267 HydrophobicContact CD1-CD2 4.09Å; L238-L267 HydrophobicContact CD1-CG 3.94Å; L238-L267 HydrophobicContact CG-CD1 4.46Å; L238-I268 WeakPolarHBondContact CA-O 3.42Å; L238-V269 HydrophobicContact CD1-CG2 3.84Å
239A86.6Confident58Low13 Ų1371.7 Ų71.711%0.10736%0.356CS..EExtended strand (participates in β ladder)trans-143.7132.1179.900000113.3L241 I268 V338A239-L241 PolarHBondContact O-N 3.37Å; A239-I268 PolarHBondContact N-O 3.11Å; A239-I268 PolarHBondContact O-N 2.89Å; A239-V338 HydrophobicContact CB-CG2 3.84Å
240F85.3Confident57Low29 Ų2975.1 Ų75.113%0.12737%0.374CS..EExtended strand (participates in β ladder)trans-75.5113.2163.4-82-62.6000110.7T195 I196 L202 A204 L267 Y281T195-F240 HydrophobicContact CG2-CD2 3.62Å; T195-F240 HydrophobicContact CG2-CE2 4.05Å; T195-F240 HydrophobicContact CG2-CG 4.27Å; T195-F240 WeakPolarHBondContact O-CE2 3.49Å; I196-F240 VanDerWaalsContact C-CD2 3.44Å; L202-F240 HydrophobicContact CB-CZ 4.28Å; A204-F240 HydrophobicContact CB-CE2 3.76Å; A204-F240 HydrophobicContact CB-CZ 3.82Å; F240-L267 HydrophobicContact CD1-CB 4.41Å; F240-L267 HydrophobicContact CD1-CD1 3.67Å; F240-L267 HydrophobicContact CD2-CD1 4.4Å; F240-L267 HydrophobicContact CE1-CB 4.48Å; F240-L267 HydrophobicContact CE1-CD1 3.79Å; F240-L267 HydrophobicContact CE2-CD1 4.49Å; F240-L267 HydrophobicContact CG-CD1 4Å; F240-L267 HydrophobicContact CZ-CD1 4.21Å; F240-Y281 HydrophobicContact CD1-CD1 4.49Å; F240-Y281 AromaticContact CD1-CE1 3.55Å; F240-Y281 HydrophobicContact CD1-CE1 3.55Å; F240-Y281 AromaticContact CD1-CZ 3.74Å; F240-Y281 HydrophobicContact CE1-CD1 4.34Å; F240-Y281 AromaticContact CE1-CE1 3.7Å; F240-Y281 HydrophobicContact CE1-CE1 3.7Å; F240-Y281 HydrophobicContact CE1-CE2 4.42Å; F240-Y281 AromaticContact CE1-CZ 3.74Å
241L77.5Confident55.9Low8 Ų872.5 Ų72.54%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-93134.8165.8178.572.3000109A239 V243 M266 I268 V338A239-L241 PolarHBondContact O-N 3.37Å; L241-V243 HydrophobicContact CD2-CG2 3.95Å; L241-V243 HydrophobicContact CG-CG2 4.16Å; L241-M266 HydrophobicContact CB-CB 4.14Å; L241-M266 HydrophobicContact CD2-CB 4.31Å; L241-M266 HydrophobicContact CD2-SD 4.38Å; L241-M266 PolarHBondContact N-O 3.02Å; L241-M266 PolarHBondContact O-N 3.36Å; L241-I268 HydrophobicContact CB-CD1 4.18Å; L241-I268 HydrophobicContact CB-CG1 4.34Å; L241-I268 HydrophobicContact CD2-CD1 4.29Å; L241-V338 HydrophobicContact CD1-CG1 3.85Å
242N67.3Low55Low20 Ų2072.3 Ų72.311%0.10738%0.379CS..EExtended strand (participates in β ladder)trans-106.1125171.5-148.237.5000107.8Q907N242-Q907 PolarHBondContact ND2-OE1 3.25Å; N242-Q907 VanDerWaalsContact ND2-OE1 3.11Å
243V61.5Low53.8Low34 Ų3477.2 Ų77.221%0.20641%0.406CS..  trans-103.2128.2-170.5-178.40000109.7L241 K245 M266 P362L241-V243 HydrophobicContact CD2-CG2 3.95Å; L241-V243 HydrophobicContact CG-CG2 4.16Å; V243-K245 PolarHBondContact O-N 2.99Å; V243-M266 HydrophobicContact CG2-CB 4.22Å; V243-M266 HydrophobicContact CG2-CG 3.94Å; V243-M266 HydrophobicContact CG2-SD 3.82Å; V243-P362 HydrophobicContact CG1-CB 3.75Å; V243-P362 HydrophobicContact CG1-CG 3.8Å; V243-P362 HydrophobicContact CG2-CB 4.2Å
244P50.7Low52.5Low36 Ų3676 Ų7623%0.23442%0.419CS..  trans-57.2125.1170.1-23.734.2000110.7I246 Q908 Y911P244-I246 PolarHBondContact O-N 2.95Å; P244-Q908 HydrophobicContact CB-CG 4.43Å; P244-Y911 HydrophobicContact CG-CD1 3.88Å; P244-Y911 HydrophobicContact CG-CD2 4.26Å; P244-Y911 HydrophobicContact CG-CE1 4.29Å; P244-Y911 HydrophobicContact CG-CG 3.86Å
245K50.5Low50.6Low107 Ų10779 Ų7947%0.46544%0.442SS..  trans-59.8112.1179.3-73.1-174.8-179.5178.40109.6V243 V247 N261 H262V243-K245 PolarHBondContact O-N 2.99Å; K245-V247 PolarHBondContact O-N 3.47Å; K245-N261 PolarHBondContact NZ-OD1 3.23Å; K245-H262 VanDerWaalsContact CE-O 3.29Å; K245-H262 WeakPolarHBondContact CE-O 3.31Å; K245-H262 PolarHBondContact NZ-O 3.18Å
246I38.5Very low48.4Very low119 Ų11985.9 Ų85.961%0.6148%0.479SS*.  trans-66.1106.6173.1-61.5176.4000107.8P244 R248 P362P244-I246 PolarHBondContact O-N 2.95Å; I246-R248 PolarHBondContact O-N 2.93Å; I246-P362 HydrophobicContact CD1-CG 4.23Å
247V28Very low46.1Very low131 Ų13190.9 Ų90.979%0.79452%0.515SS*.  trans-64.9102.8176.4-179.60000108.8K245K245-V247 PolarHBondContact O-N 3.47Å
248R24.9Very low43.8Very low215 Ų21598.1 Ų98.181%0.81155%0.553SS**PPolyproline II helixtrans-70.6137.5158.4-69.2-176.2176.5-177.7-0.6107.7I246 V250I246-R248 PolarHBondContact O-N 2.93Å; R248-V250 PolarHBondContact O-N 2.91Å
249P24.3Very low41Very low116 Ų116106 Ų10675%0.75360%0.595SS**PPolyproline II helixtrans-62.1121.9169.827.2-32.8000108.5N251P249-N251 PolarHBondContact O-N 3.1Å
250V27.7Very low38.6Very low128 Ų128110.6 Ų110.678%0.77662%0.622SS**PPolyproline II helixtrans-72.3116.3172.31760000107.3R248 T252R248-V250 PolarHBondContact O-N 2.91Å; V250-T252 PolarHBondContact O-N 3.06Å
251N25.8Very low36.5Very low148 Ų148115.6 Ų115.679%0.79165%0.65SS**PPolyproline II helixtrans-62.2120.5164.9-81.3-5.1000107.7P249 D253P249-N251 PolarHBondContact O-N 3.1Å; N251-D253 VanDerWaalsContact C-N 3.33Å; N251-D253 PolarHBondContact O-N 3.26Å
252T26.2Very low34.9Very low128 Ų128119 Ų11979%0.78567%0.665SS**SBendtrans-73.982.1-178.950.20000110.8V250V250-T252 PolarHBondContact O-N 3.06Å
253D25.6Very low34.2Very low156 Ų156120 Ų12083%0.83467%0.674SS**  trans-160.463166.3-94.3-34.7000111.8N251N251-D253 VanDerWaalsContact C-N 3.33Å; N251-D253 PolarHBondContact O-N 3.26Å
254S27.4Very low34.2Very low120 Ų120120.5 Ų120.584%0.83968%0.678SS**  trans-174.7125.1150.623.20000111
255S25.1Very low35.2Very low118 Ų118119 Ų11983%0.82567%0.67SS**  trans-91.3100.2176.455.60000111
256N26.7Very low36.5Very low161 Ų161114.2 Ų114.286%0.86165%0.649SS**  trans-144.4104.7160.9-103.5-20.6000109.7
257S24.3Very low38.6Very low115 Ų115108.6 Ų108.680%0.80462%0.62SS**  trans-92.898.6-178.2350000110.5
258N26.8Very low41.1Very low152 Ų152102.4 Ų102.481%0.81358%0.582SS**  trans-170.521.5157.4-98.9-23000115.7V260N258-V260 PolarHBondContact O-N 2.97Å
259D30.2Very low43.8Very low171 Ų17192.5 Ų92.591%0.91455%0.546SS*.  trans-69.489.3176.3-86.7-11.1000112.1
260V36.2Very low46.4Very low110 Ų11087 Ų8767%0.66751%0.51SS*.  trans-66.5137.4174.9176.90000110.2N258 H262N258-V260 PolarHBondContact O-N 2.97Å; V260-H262 PolarHBondContact O-N 2.81Å
261N41.7Very low48.6Very low135 Ų13581.1 Ų81.172%0.72248%0.475SS*.  trans-6388.8-175.9-95.9-56.9000113.7K245 P263K245-N261 PolarHBondContact NZ-OD1 3.23Å; N261-P263 WeakPolarHBondContact O-CD 3.45Å
262H44.1Very low50.5Low78 Ų7877.9 Ų77.936%0.36145%0.454SS..  trans-64.9129.2170.1-60.9-32.9000111.1K245 V260 S264 I282K245-H262 VanDerWaalsContact CE-O 3.29Å; K245-H262 WeakPolarHBondContact CE-O 3.31Å; K245-H262 PolarHBondContact NZ-O 3.18Å; V260-H262 PolarHBondContact O-N 2.81Å; H262-S264 PolarHBondContact O-N 3.36Å; H262-S264 VanDerWaalsContact O-N 3.17Å; H262-I282 HydrophobicContact CB-CG2 4.07Å
263P51.9Low52.4Low43 Ų4372.2 Ų72.228%0.27942%0.421SS..  trans-71.998.916627.4-32.7000110.4N261 H283N261-P263 WeakPolarHBondContact O-CD 3.45Å; P263-H283 VanDerWaalsContact CD-O 3.25Å; P263-H283 WeakPolarHBondContact CD-O 3.29Å; P263-H283 HydrophobicContact CG-CB 4.2Å; P263-H283 WeakPolarHBondContact CG-O 3.4Å; P263-H283 PolarHBondContact O-N 2.84Å
264S61.8Low54.4Low44 Ų4464.8 Ų64.831%0.30838%0.381SS..EExtended strand (participates in β ladder)trans-96123.9171.555.60000110.2H262 Y281H262-S264 PolarHBondContact O-N 3.36Å; H262-S264 VanDerWaalsContact O-N 3.17Å; S264-Y281 CarbonylContact C-O 3.5Å; S264-Y281 VanDerWaalsContact CA-O 3.28Å; S264-Y281 WeakPolarHBondContact CA-O 3.29Å
265G72Confident56.5Low5 Ų563 Ų635%0.05236%0.356CS..EExtended strand (participates in β ladder)trans-132.1-166.7-178.700000113.2P280 Y281G265-P280 WeakPolarHBondContact O-CA 3.14Å; G265-Y281 VanDerWaalsContact C-CD1 3.42Å; G265-Y281 PolarHBondContact N-O 2.75Å; G265-Y281 PolarHBondContact O-N 3.27Å
266M76.7Confident59.1Low6 Ų657.5 Ų57.53%0.0332%0.318CS..EExtended strand (participates in β ladder)trans-132.1145.7172.3-80.4179.4151.500110.6L241 V243 I278 I279 P280 Y281 P362 L363L241-M266 HydrophobicContact CB-CB 4.14Å; L241-M266 HydrophobicContact CD2-CB 4.31Å; L241-M266 HydrophobicContact CD2-SD 4.38Å; L241-M266 PolarHBondContact N-O 3.02Å; L241-M266 PolarHBondContact O-N 3.36Å; V243-M266 HydrophobicContact CG2-CB 4.22Å; V243-M266 HydrophobicContact CG2-CG 3.94Å; V243-M266 HydrophobicContact CG2-SD 3.82Å; M266-I278 HydrophobicContact CB-CG2 4.13Å; M266-I278 HydrophobicContact CE-CG2 3.81Å; M266-I278 HydrophobicContact CG-CG2 4.02Å; M266-I278 HydrophobicContact SD-CG2 3.56Å; M266-I278 VanDerWaalsContact SD-CG2 3.56Å; M266-I279 CarbonylContact C-O 3.53Å; M266-I279 WeakPolarHBondContact CA-O 3.35Å; M266-P280 HydrophobicContact CE-CB 4.14Å; M266-P280 HydrophobicContact CE-CG 3.91Å; M266-P280 HydrophobicContact CG-CB 4.18Å; M266-Y281 VanDerWaalsContact N-CE1 3.34Å; M266-P362 HydrophobicContact CE-CB 3.88Å; M266-P362 WeakPolarHBondContact CE-O 3.33Å; M266-P362 HydrophobicContact SD-CB 3.76Å; M266-L363 HydrophobicContact CE-CD2 4.31Å
267L82.7Confident61.6Low1 Ų150.7 Ų50.71%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-112.3118.2168.9-175.572.9000107.7T195 A204 L212 L238 F240 V269 I279T195-L267 HydrophobicContact CG2-CD1 4.08Å; A204-L267 HydrophobicContact CB-CD1 4.01Å; A204-L267 HydrophobicContact CB-CD2 4.35Å; L212-L267 HydrophobicContact CD1-CD2 4.02Å; L212-L267 HydrophobicContact CD2-CD2 3.7Å; L212-L267 HydrophobicContact CG-CD2 4.5Å; L238-L267 HydrophobicContact CD1-CD1 3.72Å; L238-L267 HydrophobicContact CD1-CD2 4.09Å; L238-L267 HydrophobicContact CD1-CG 3.94Å; L238-L267 HydrophobicContact CG-CD1 4.46Å; F240-L267 HydrophobicContact CD1-CB 4.41Å; F240-L267 HydrophobicContact CD1-CD1 3.67Å; F240-L267 HydrophobicContact CD2-CD1 4.4Å; F240-L267 HydrophobicContact CE1-CB 4.48Å; F240-L267 HydrophobicContact CE1-CD1 3.79Å; F240-L267 HydrophobicContact CE2-CD1 4.49Å; F240-L267 HydrophobicContact CG-CD1 4Å; F240-L267 HydrophobicContact CZ-CD1 4.21Å; L267-V269 HydrophobicContact CD2-CG2 4.28Å; L267-V269 HydrophobicContact CG-CG2 4.18Å; L267-I279 HydrophobicContact CB-CB 4.38Å; L267-I279 PolarHBondContact N-O 3.02Å; L267-I279 PolarHBondContact O-N 2.77Å
268I81.5Confident64.1Low0 Ų045.2 Ų45.20%024%0.243CC..EExtended strand (participates in β ladder)trans-94.2132.6176.2-50.2179000108.3L238 A239 L241 L276 H277 I336 V338 V345L238-I268 WeakPolarHBondContact CA-O 3.42Å; A239-I268 PolarHBondContact N-O 3.11Å; A239-I268 PolarHBondContact O-N 2.89Å; L241-I268 HydrophobicContact CB-CD1 4.18Å; L241-I268 HydrophobicContact CB-CG1 4.34Å; L241-I268 HydrophobicContact CD2-CD1 4.29Å; I268-L276 HydrophobicContact CG2-CD1 4.05Å; I268-L276 HydrophobicContact CG2-CD2 3.79Å; I268-L276 HydrophobicContact CG2-CG 3.78Å; I268-H277 WeakPolarHBondContact CA-O 3.34Å; I268-I336 HydrophobicContact CB-CD1 4.29Å; I268-I336 HydrophobicContact CG2-CD1 3.49Å; I268-I336 VanDerWaalsContact CG2-CD1 3.49Å; I268-V338 HydrophobicContact CD1-CG2 4.41Å; I268-V345 HydrophobicContact CD1-CG2 3.85Å
269V81.2Confident66.6Low7 Ų738.4 Ų38.44%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-133.4121.1-178.7-170.50000109.1I206 L235 G237 L238 L267 H277 I279I206-V269 HydrophobicContact CD1-CG1 3.7Å; L235-V269 HydrophobicContact CB-CG1 4.46Å; L235-V269 HydrophobicContact CD1-CG1 3.92Å; L235-V269 HydrophobicContact CD2-CG1 4.06Å; L235-V269 HydrophobicContact CG-CG1 4.35Å; G237-V269 CarbonylContact O-C 3.56Å; G237-V269 VanDerWaalsContact O-CA 3.31Å; G237-V269 WeakPolarHBondContact O-CA 3.35Å; L238-V269 HydrophobicContact CD1-CG2 3.84Å; L267-V269 HydrophobicContact CD2-CG2 4.28Å; L267-V269 HydrophobicContact CG-CG2 4.18Å; V269-H277 HydrophobicContact CB-CB 4.32Å; V269-H277 PolarHBondContact N-O 2.98Å; V269-H277 WeakPolarHBondContact O-CB 3.43Å; V269-H277 PolarHBondContact O-N 3.35Å; V269-I279 HydrophobicContact CG2-CD1 4.12Å
270S78.9Confident68.6Low0 Ų031.1 Ų31.10%017%0.168CC..EExtended strand (participates in β ladder)trans-100.4154174.867.70000112.8L235 S236 G237L235-S270 CarbonylContact C-O 3.56Å; L235-S270 WeakPolarHBondContact CA-O 3.4Å; S236-S270 VanDerWaalsContact C-OG 3.31Å; S236-S270 PolarHBondContact N-O 3.29Å; S236-S270 PolarHBondContact O-OG 2.74Å; S236-S270 PolarHBondContact OG-O 3.21Å; S236-S270 PolarHBondContact OG-OG 3.28Å; G237-S270 VanDerWaalsContact CA-OG 3.25Å; G237-S270 WeakPolarHBondContact CA-OG 3.4Å; G237-S270 PolarHBondContact N-OG 3.22Å; G237-S270 VanDerWaalsContact N-OG 3.16Å; G237-S270 PolarHBondContact O-N 3.34Å
271S73.3Confident70.4Confident5 Ų526.4 Ų26.44%0.03514%0.139CC..EExtended strand (participates in β ladder)trans-120.3150.1177.8640000112.5G273 G274 Y275S271-G273 PolarHBondContact O-N 3.09Å; S271-G273 PolarHBondContact OG-N 2.86Å; S271-G274 PolarHBondContact O-N 3.5Å; S271-Y275 PolarHBondContact N-O 2.8Å; S271-Y275 PolarHBondContact OG-N 3.1Å; S271-Y275 PolarHBondContact OG-O 2.61Å; S271-Y275 VanDerWaalsContact OG-O 3.06Å
272F66.8Low71.8Confident81 Ų8122.1 Ų22.136%0.35512%0.115SC..THydrogen-bonded Turntrans-63.4-4.2165.1-76.6-79.2000112.4R233 V234 S236 S332R233-F272 HydrophobicContact CB-CB 4.38Å; V234-F272 HydrophobicContact CB-CD2 3.82Å; V234-F272 HydrophobicContact CB-CE2 4.47Å; V234-F272 HydrophobicContact CG1-CD2 4.03Å; V234-F272 HydrophobicContact CG1-CE2 4.2Å; V234-F272 VanDerWaalsContact O-CD2 3.25Å; V234-F272 WeakPolarHBondContact O-CD2 3.45Å; V234-F272 PolarHBondContact O-N 3.28Å; S236-F272 VanDerWaalsContact CB-CE2 3.49Å; F272-S332 VanDerWaalsContact C-OG 3.26Å; F272-S332 WeakPolarHBondContact CA-OG 3.44Å; F272-S332 WeakPolarHBondContact CB-OG 3.47Å; F272-S332 VanDerWaalsContact CD1-OG 3.31Å; F272-S332 WeakPolarHBondContact CD1-OG 3.36Å; F272-S332 PolarHBondContact O-OG 3.36Å
273G65.6Low73.2Confident9 Ų918.4 Ų18.49%0.09310%0.098CC..THydrogen-bonded Turntrans-77.1-11.9167.900000115.2S271 W330S271-G273 PolarHBondContact O-N 3.09Å; S271-G273 PolarHBondContact OG-N 2.86Å; G273-W330 WeakPolarHBondContact O-CB 3.46Å
274G66.9Low73.8Confident0 Ų017 Ų170%09%0.088CC..SBendtrans8811.6-175.600000114.3S271 T320 P331S271-G274 PolarHBondContact O-N 3.5Å; G274-T320 PolarHBondContact O-N 3.06Å; G274-T320 VanDerWaalsContact O-N 3.1Å; G274-T320 PolarHBondContact O-OG1 3.25Å; G274-P331 WeakPolarHBondContact CA-O 3.45Å
275Y73.1Confident73.7Confident81 Ų8116.8 Ų16.832%0.3189%0.085SC..EExtended strand (participates in β ladder)trans-100139173.7-58.6-86.6000111.1S271 H277 F318 T319S271-Y275 PolarHBondContact N-O 2.8Å; S271-Y275 PolarHBondContact OG-N 3.1Å; S271-Y275 PolarHBondContact OG-O 2.61Å; S271-Y275 VanDerWaalsContact OG-O 3.06Å; Y275-H277 WeakPolarHBondContact CB-NE2 3.4Å; Y275-F318 CarbonylContact C-O 3.56Å; Y275-F318 WeakPolarHBondContact CA-O 3.1Å; Y275-T319 HydrophobicContact CD1-CG2 3.75Å; Y275-T319 HydrophobicContact CE1-CG2 3.54Å
276L77.8Confident72.9Confident4 Ų419 Ų192%0.0219%0.094CC..EExtended strand (participates in β ladder)trans-108.7114.7168.8-175.2140.5000108I268 I278 F318 I333 I336 V345I268-L276 HydrophobicContact CG2-CD1 4.05Å; I268-L276 HydrophobicContact CG2-CD2 3.79Å; I268-L276 HydrophobicContact CG2-CG 3.78Å; L276-I278 HydrophobicContact CD2-CD1 3.71Å; L276-I278 HydrophobicContact CD2-CG1 3.69Å; L276-F318 HydrophobicContact CD2-CD2 4.49Å; L276-F318 PolarHBondContact N-O 2.71Å; L276-F318 PolarHBondContact O-N 2.99Å; L276-I333 HydrophobicContact CB-CD1 4.2Å; L276-I336 HydrophobicContact CD1-CD1 3.72Å; L276-V345 HydrophobicContact CD1-CG1 4.23Å
277H79.2Confident71.4Confident17 Ų1724 Ų248%0.07912%0.117CC..EExtended strand (participates in β ladder)trans-98.9140.7-177.6-58.4-114.1000109.1I268 V269 Y275 T315 I316I268-H277 WeakPolarHBondContact CA-O 3.34Å; V269-H277 HydrophobicContact CB-CB 4.32Å; V269-H277 PolarHBondContact N-O 2.98Å; V269-H277 WeakPolarHBondContact O-CB 3.43Å; V269-H277 PolarHBondContact O-N 3.35Å; Y275-H277 WeakPolarHBondContact CB-NE2 3.4Å; H277-T315 HydrophobicContact CB-CG2 3.86Å; H277-I316 CarbonylContact C-O 3.5Å; H277-I316 WeakPolarHBondContact CA-O 3.22Å
278I78.5Confident69.3Low0 Ų026.1 Ų26.10%014%0.135CC..EExtended strand (participates in β ladder)trans-130.4114.9-178.8-47-168.4000107.9M266 L276 T315 I316 F318 F359 P365M266-I278 HydrophobicContact CB-CG2 4.13Å; M266-I278 HydrophobicContact CE-CG2 3.81Å; M266-I278 HydrophobicContact CG-CG2 4.02Å; M266-I278 HydrophobicContact SD-CG2 3.56Å; M266-I278 VanDerWaalsContact SD-CG2 3.56Å; L276-I278 HydrophobicContact CD2-CD1 3.71Å; L276-I278 HydrophobicContact CD2-CG1 3.69Å; I278-T315 WeakPolarHBondContact O-CA 3.26Å; I278-I316 PolarHBondContact N-O 2.99Å; I278-I316 PolarHBondContact O-N 3.31Å; I278-F318 HydrophobicContact CD1-CD2 3.78Å; I278-F318 HydrophobicContact CD1-CE2 3.69Å; I278-F318 HydrophobicContact CG1-CD2 4.1Å; I278-F318 HydrophobicContact CG1-CE2 4.16Å; I278-F359 HydrophobicContact CD1-CE1 3.39Å; I278-F359 HydrophobicContact CD1-CZ 3.55Å; I278-P365 HydrophobicContact CD1-CG 4.26Å
279I77.9Confident67Low9 Ų931.5 Ų31.55%0.04616%0.16CC..EExtended strand (participates in β ladder)trans-109.6101.5-175.3-49.3177.3000106.9L212 M266 L267 V269 L312 T315L212-I279 HydrophobicContact CD2-CD1 4.13Å; M266-I279 CarbonylContact C-O 3.53Å; M266-I279 WeakPolarHBondContact CA-O 3.35Å; L267-I279 HydrophobicContact CB-CB 4.38Å; L267-I279 PolarHBondContact N-O 3.02Å; L267-I279 PolarHBondContact O-N 2.77Å; V269-I279 HydrophobicContact CG2-CD1 4.12Å; I279-L312 HydrophobicContact CG2-CB 4.18Å; I279-L312 HydrophobicContact CG2-CD1 4.48Å; I279-L312 HydrophobicContact CG2-CD2 4.32Å; I279-T315 HydrophobicContact CG1-CG2 3.93Å
280P73.5Confident64.6Low19 Ų1939 Ų3912%0.12319%0.188CC..EExtended strand (participates in β ladder)trans-66.7144.9171.9-1.216000109.3G265 M266 L313 P314G265-P280 WeakPolarHBondContact O-CA 3.14Å; M266-P280 HydrophobicContact CE-CB 4.14Å; M266-P280 HydrophobicContact CE-CG 3.91Å; M266-P280 HydrophobicContact CG-CB 4.18Å; P280-L313 HydrophobicContact CB-CB 4.01Å; P280-L313 HydrophobicContact CB-CD1 4.17Å; P280-L313 HydrophobicContact CG-CB 4.08Å; P280-L313 WeakPolarHBondContact O-CB 3.5Å; P280-L313 PolarHBondContact O-N 3Å; P280-P314 WeakPolarHBondContact CD-O 3.3Å
281Y73.9Confident62.2Low11 Ų1146.6 Ų46.64%0.04322%0.223CC..EExtended strand (participates in β ladder)trans-139.1153.3178.573-86.6000112.2L202 F240 S264 G265 M266 H283 V310 Q311L202-Y281 HydrophobicContact CD1-CE2 4.44Å; F240-Y281 HydrophobicContact CD1-CD1 4.49Å; F240-Y281 AromaticContact CD1-CE1 3.55Å; F240-Y281 HydrophobicContact CD1-CE1 3.55Å; F240-Y281 AromaticContact CD1-CZ 3.74Å; F240-Y281 HydrophobicContact CE1-CD1 4.34Å; F240-Y281 AromaticContact CE1-CE1 3.7Å; F240-Y281 HydrophobicContact CE1-CE1 3.7Å; F240-Y281 HydrophobicContact CE1-CE2 4.42Å; F240-Y281 AromaticContact CE1-CZ 3.74Å; S264-Y281 CarbonylContact C-O 3.5Å; S264-Y281 VanDerWaalsContact CA-O 3.28Å; S264-Y281 WeakPolarHBondContact CA-O 3.29Å; G265-Y281 VanDerWaalsContact C-CD1 3.42Å; G265-Y281 PolarHBondContact N-O 2.75Å; G265-Y281 PolarHBondContact O-N 3.27Å; M266-Y281 VanDerWaalsContact N-CE1 3.34Å; Y281-H283 HydrophobicContact CD2-CB 4.24Å; Y281-H283 HydrophobicContact CE2-CB 4.09Å; Y281-V310 HydrophobicContact CD2-CG1 4.47Å; Y281-Q311 CarbonylContact C-O 3.47Å; Y281-Q311 VanDerWaalsContact CA-O 3.26Å; Y281-Q311 WeakPolarHBondContact CA-O 3.36Å
282I71.1Confident60.2Low44 Ų4453.9 Ų53.923%0.22626%0.261CS..EExtended strand (participates in β ladder)trans-117116.8170.3-53.8176000106.8H262 T284 V310 Q311 L313H262-I282 HydrophobicContact CB-CG2 4.07Å; I282-T284 HydrophobicContact CG2-CG2 4.12Å; I282-V310 WeakPolarHBondContact O-CA 3.44Å; I282-Q311 HydrophobicContact CB-CB 4.41Å; I282-Q311 PolarHBondContact N-O 3.43Å; I282-Q311 PolarHBondContact O-N 2.77Å; I282-L313 HydrophobicContact CD1-CD1 4.23Å; I282-L313 HydrophobicContact CG1-CD1 4.19Å
283H72.1Confident58.2Low1 Ų158.2 Ų58.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-96.1130.9169.8175.2-139.3000108.8D199 H201 L202 P263 Y281 V285 C308 A309D199-H283 IonicContact OD2-CE1 3.5Å; D199-H283 PolarHBondContact OD2-CE1 2.99Å; D199-H283 VanDerWaalsContact OD2-CE1 3.28Å; D199-H283 IonicContact OD2-ND1 2.71Å; D199-H283 PolarHBondContact OD2-ND1 3.3Å; H201-H283 WeakPolarHBondContact CB-CE1 2.94Å; H201-H283 AromaticContact CD2-CE1 4Å; H201-H283 AromaticContact CG-CE1 3.58Å; L202-H283 HydrophobicContact CD1-CB 4.17Å; P263-H283 VanDerWaalsContact CD-O 3.25Å; P263-H283 WeakPolarHBondContact CD-O 3.29Å; P263-H283 HydrophobicContact CG-CB 4.2Å; P263-H283 WeakPolarHBondContact CG-O 3.4Å; P263-H283 PolarHBondContact O-N 2.84Å; Y281-H283 HydrophobicContact CD2-CB 4.24Å; Y281-H283 HydrophobicContact CE2-CB 4.09Å; H283-V285 WeakPolarHBondContact CE1-CG2 3.26Å; H283-C308 PolarHBondContact NE2-SG 2.93Å; H283-C308 VanDerWaalsContact NE2-SG 3.41Å; H283-A309 PolarHBondContact CD2-O 3.34Å
284T64.4Low56.3Low12 Ų1266.5 Ų66.57%0.07432%0.317CS..EExtended strand (participates in β ladder)trans-121.5133.8172.369.40000110.2I282 H286 C308 A309I282-T284 HydrophobicContact CG2-CG2 4.12Å; T284-H286 PolarHBondContact OG1-CD2 2.84Å; T284-H286 PolarHBondContact OG1-NE2 2.81Å; T284-C308 WeakPolarHBondContact O-CA 3.3Å; T284-A309 PolarHBondContact N-O 2.56Å; T284-A309 PolarHBondContact O-N 2.95Å
285V61.4Low54.2Low41 Ų4171.6 Ų71.625%0.24835%0.352CS..EExtended strand (participates in β ladder)trans-112.9112174.1-176.80000106.9H283 I306H283-V285 WeakPolarHBondContact CE1-CG2 3.26Å; V285-I306 HydrophobicContact CG1-CG2 3.64Å
286H54Low51.9Low52 Ų5275.5 Ų75.524%0.24138%0.379CS..EExtended strand (participates in β ladder)trans-97.1135.5177.9-71.4-118.2000110T284 I306 C307 L879T284-H286 PolarHBondContact OG1-CD2 2.84Å; T284-H286 PolarHBondContact OG1-NE2 2.81Å; H286-I306 WeakPolarHBondContact O-CA 3.3Å; H286-C307 PolarHBondContact N-O 3.42Å; H286-C307 PolarHBondContact O-N 3.28Å; H286-L879 HydrophobicContact CB-CD1 3.5Å; H286-L879 HydrophobicContact CB-CD2 3.63Å; H286-L879 HydrophobicContact CB-CG 4.18Å
287H45Very low49.4Very low109 Ų10981.7 Ų81.751%0.50542%0.416SS..EExtended strand (participates in β ladder)trans-107.2123.3171.1-64.2-104.3000107.9H289 I306H287-H289 PolarHBondContact O-N 2.94Å; H287-H289 VanDerWaalsContact O-N 3.11Å; H287-I306 WeakPolarHBondContact ND1-CD1 3.47Å
288A38.4Very low47.1Very low46 Ų4686.4 Ų86.438%0.3845%0.449SS..  trans-72.9104.5175.100000109.9W305A288-W305 HydrophobicContact CB-CB 3.96Å; A288-W305 PolarHBondContact N-O 2.69Å
289H33.7Very low44.6Very low114 Ų11493.4 Ų93.453%0.52849%0.486SS..  trans-91.2150.5161.6-94.7-116.4000109.9H287 E291H287-H289 PolarHBondContact O-N 2.94Å; H287-H289 VanDerWaalsContact O-N 3.11Å; H289-E291 IonicContact ND1-OE1 3.85Å; H289-E291 PolarHBondContact ND1-OE1 2.89Å
290R30.2Very low42.3Very low164 Ų164102 Ų10262%0.61953%0.526SS*.  trans-141115.5175.6-160.8-167.4-163.9-164.5-0.3107.8E302R290-E302 WeakPolarHBondContact CD-OE1 3.31Å; R290-E302 IonicContact CZ-OE1 2.7Å; R290-E302 IonicContact NE-OE1 3.98Å; R290-E302 IonicContact NH1-OE1 2.69Å; R290-E302 PolarHBondContact NH1-OE1 2.9Å
291E30.2Very low40.2Very low159 Ų159111 Ų11174%0.74356%0.563SS**  trans-142.4102.7176.3-67.3169.5-148.100103.1H289H289-E291 IonicContact ND1-OE1 3.85Å; H289-E291 PolarHBondContact ND1-OE1 2.89Å
292D29.5Very low38.2Very low158 Ų158116 Ų11685%0.84559%0.587SS**  88.993.672.4-961.3000112.3
293E26.4Very low36.3Very low172 Ų172119 Ų11980%0.80460%0.603SS**  trans-133.8135.9150.7-76.4-154.6147.500110.5
294F24.8Very low34.4Very low184 Ų184127.4 Ų127.481%0.80764%0.635SS**SBendtrans69.8101.3173.4-61.6-77.1000120.6
295S23.6Very low33.1Very low107 Ų107132.2 Ų132.275%0.74865%0.652SS**  trans101.379.5138.673.50000121.9
296N23.9Very low32.4Very low163 Ų163132.6 Ų132.687%0.87265%0.652SS**  50.665.1127.7-62.2-4.1000120.8
297V26.7Very low32.3Very low133 Ų133130.6 Ų130.681%0.80664%0.644SS**  trans-142.5118.4144.8-172.90000110.8N299V297-N299 PolarHBondContact O-N 2.96Å
298P29.7Very low33Very low117 Ų117126 Ų12676%0.7662%0.624SS**  trans-90.692.8176.133.8-31.1000111.6
299N26.4Very low34.1Very low146 Ų146124.9 Ų124.978%0.78162%0.615SS**  trans175.8108152.1-96-34000111.5V297V297-N299 PolarHBondContact O-N 2.96Å
300H30.5Very low35.7Very low191 Ų191120.4 Ų120.488%0.88460%0.595SS**  trans-177.7147.1134.9-96.2-66.1000108.9
301F29.2Very low37.5Very low208 Ų208117.7 Ų117.791%0.91259%0.59SS**  trans-78.3121.1-179.4-76.9-99.9000110.7
302E30.1Very low39.4Very low114 Ų114111.5 Ų111.553%0.53356%0.561SS.*  trans-80.4140.3178.7-73.2-150.2127.100113.8R290 R304R290-E302 WeakPolarHBondContact CD-OE1 3.31Å; R290-E302 IonicContact CZ-OE1 2.7Å; R290-E302 IonicContact NE-OE1 3.98Å; R290-E302 IonicContact NH1-OE1 2.69Å; R290-E302 PolarHBondContact NH1-OE1 2.9Å; E302-R304 PolarHBondContact O-N 3.3Å
303N31.9Very low41.3Very low108 Ų108106.9 Ų106.958%0.57854%0.536SS*.  trans-81.6106.2176.6-74.3-58.1000111.1W305N303-W305 PolarHBondContact O-N 2.71Å; N303-W305 PolarHBondContact O-NE1 3.12Å
304R32.4Very low42.8Very low177 Ų177104 Ų10467%0.66853%0.533SS*.  trans-76.8109.2172.7-72-177.7175172.9-2.7111.4E302E302-R304 PolarHBondContact O-N 3.3Å
305W37.6Very low44.9Very low113 Ų11397.7 Ų97.743%0.42851%0.509SS..  trans-78.7145.2175-57.982000111.3A288 N303 C881 N887A288-W305 HydrophobicContact CB-CB 3.96Å; A288-W305 PolarHBondContact N-O 2.69Å; N303-W305 PolarHBondContact O-N 2.71Å; N303-W305 PolarHBondContact O-NE1 3.12Å; W305-C881 HydrophobicContact CE3-CB 4.46Å; W305-N887 VanDerWaalsContact CH2-ND2 3.31Å; W305-N887 WeakPolarHBondContact CH2-ND2 3.01Å; W305-N887 WeakPolarHBondContact CZ3-OD1 3.28Å
306I45.6Very low47Very low49 Ų4994.8 Ų94.825%0.25149%0.485SS..EExtended strand (participates in β ladder)trans-136.2121.6177.9-60.1173.3000109.3K218 V285 H286 H287K218-I306 HydrophobicContact CD-CG2 4.36Å; V285-I306 HydrophobicContact CG1-CG2 3.64Å; H286-I306 WeakPolarHBondContact O-CA 3.3Å; H287-I306 WeakPolarHBondContact ND1-CD1 3.47Å
307C52Low49.3Very low11 Ų1194.3 Ų94.37%0.07447%0.471CS..EExtended strand (participates in β ladder)trans-138.6145.1-173.230.20000111H286 L879 W880H286-C307 PolarHBondContact N-O 3.42Å; H286-C307 PolarHBondContact O-N 3.28Å; C307-L879 HydrophobicContact CB-CB 4.45Å; C307-L879 HydrophobicContact CB-CD2 4.14Å; C307-W880 WeakPolarHBondContact CB-O 3.27Å
308C59.6Low51.4Low12 Ų1290.2 Ų90.28%0.08144%0.442CS..EExtended strand (participates in β ladder)trans-109.2136-174.1-67.40000110.4H201 H283 T284H201-C308 PolarHBondContact ND1-SG 2.75Å; H283-C308 PolarHBondContact NE2-SG 2.93Å; H283-C308 VanDerWaalsContact NE2-SG 3.41Å; T284-C308 WeakPolarHBondContact O-CA 3.3Å
309A61.2Low53.3Low23 Ų2387.8 Ų87.819%0.1943%0.425CS..EExtended strand (participates in β ladder)trans-123.6144.4167.100000109.8H283 T284 Y878H283-A309 PolarHBondContact CD2-O 3.34Å; T284-A309 PolarHBondContact N-O 2.56Å; T284-A309 PolarHBondContact O-N 2.95Å; A309-Y878 WeakPolarHBondContact CB-O 3.38Å
310V68.2Low55.2Low19 Ų1981 Ų8112%0.11539%0.389CS..EExtended strand (participates in β ladder)trans-129.1114.7-179.4178.10000108.4L202 V223 V224 Y281 I282 L312L202-V310 HydrophobicContact CD1-CG2 3.63Å; L202-V310 HydrophobicContact CD2-CG2 3.78Å; L202-V310 HydrophobicContact CG-CG2 4.38Å; V223-V310 HydrophobicContact CG1-CB 4.12Å; V223-V310 HydrophobicContact CG1-CG2 4.09Å; V224-V310 HydrophobicContact CG2-CB 4.3Å; V224-V310 HydrophobicContact CG2-CG1 4.46Å; Y281-V310 HydrophobicContact CD2-CG1 4.47Å; I282-V310 WeakPolarHBondContact O-CA 3.44Å; V310-L312 HydrophobicContact CG1-CD2 3.79Å; V310-L312 HydrophobicContact CG1-CG 4.48Å
311Q67.5Low56.8Low108 Ų10873 Ų7351%0.50536%0.357SS..EExtended strand (participates in β ladder)trans-95.9124.7172-171.8-179.621.300108.8Y281 I282 L313Y281-Q311 CarbonylContact C-O 3.47Å; Y281-Q311 VanDerWaalsContact CA-O 3.26Å; Y281-Q311 WeakPolarHBondContact CA-O 3.36Å; I282-Q311 HydrophobicContact CB-CB 4.41Å; I282-Q311 PolarHBondContact N-O 3.43Å; I282-Q311 PolarHBondContact O-N 2.77Å; Q311-L313 HydrophobicContact CG-CD2 4.42Å
312L70.7Confident58Low28 Ų2867.2 Ų67.215%0.14734%0.34CS..EExtended strand (participates in β ladder)trans-96.2136.7173.2-57.5-173.9000109.6I214 V224 I279 V310 F853I214-L312 HydrophobicContact CD1-CD1 4.2Å; I214-L312 HydrophobicContact CD1-CD2 4.1Å; V224-L312 HydrophobicContact CG1-CD1 3.85Å; I279-L312 HydrophobicContact CG2-CB 4.18Å; I279-L312 HydrophobicContact CG2-CD1 4.48Å; I279-L312 HydrophobicContact CG2-CD2 4.32Å; V310-L312 HydrophobicContact CG1-CD2 3.79Å; V310-L312 HydrophobicContact CG1-CG 4.48Å; L312-F853 HydrophobicContact CB-CD1 4.4Å; L312-F853 HydrophobicContact CB-CE1 4.27Å; L312-F853 HydrophobicContact CD1-CD1 4.17Å; L312-F853 HydrophobicContact CD1-CE1 3.61Å
313L68.5Low58.9Low61 Ų6171.4 Ų71.432%0.31936%0.359SS..  trans-105.2166-177.6-60.7178.6000110.6P280 I282 Q311 T315P280-L313 HydrophobicContact CB-CB 4.01Å; P280-L313 HydrophobicContact CB-CD1 4.17Å; P280-L313 HydrophobicContact CG-CB 4.08Å; P280-L313 WeakPolarHBondContact O-CB 3.5Å; P280-L313 PolarHBondContact O-N 3Å; I282-L313 HydrophobicContact CD1-CD1 4.23Å; I282-L313 HydrophobicContact CG1-CD1 4.19Å; Q311-L313 HydrophobicContact CG-CD2 4.42Å; L313-T315 PolarHBondContact O-N 3.24Å
314P58.5Low59.5Low112 Ų11270 Ų7073%0.72737%0.37SS*.PPolyproline II helixtrans-52.4132.1-174-30.737.4000114.1P280 I316P280-P314 WeakPolarHBondContact CD-O 3.3Å; P314-I316 PolarHBondContact O-N 2.66Å
315T69.5Low60.1Low52 Ų5265 Ų6532%0.31936%0.359SS..PPolyproline II helixtrans-77.3120.4-175.4-57.30000111.6H277 I278 I279 L313 R317H277-T315 HydrophobicContact CB-CG2 3.86Å; I278-T315 WeakPolarHBondContact O-CA 3.26Å; I279-T315 HydrophobicContact CG1-CG2 3.93Å; L313-T315 PolarHBondContact O-N 3.24Å; T315-R317 HydrophobicContact CG2-CG 4.38Å
316I68.3Low60.3Low45 Ų4565.4 Ų65.423%0.23138%0.377CS..EExtended strand (participates in β ladder)trans-86.3137.1172.9-38.4178.8000108.5H277 I278 P314 F318 L363H277-I316 CarbonylContact C-O 3.5Å; H277-I316 WeakPolarHBondContact CA-O 3.22Å; I278-I316 PolarHBondContact N-O 2.99Å; I278-I316 PolarHBondContact O-N 3.31Å; P314-I316 PolarHBondContact O-N 2.66Å; I316-F318 HydrophobicContact CB-CE2 3.92Å; I316-F318 HydrophobicContact CB-CZ 4.34Å; I316-F318 HydrophobicContact CG2-CD2 4.45Å; I316-F318 HydrophobicContact CG2-CE1 4.41Å; I316-F318 HydrophobicContact CG2-CE2 3.44Å; I316-F318 VanDerWaalsContact CG2-CE2 3.44Å; I316-F318 HydrophobicContact CG2-CZ 3.4Å; I316-L363 HydrophobicContact CD1-CB 4.28Å; I316-L363 HydrophobicContact CD1-CD2 3.73Å
317R71.4Confident59.9Low154 Ų15470.7 Ų70.758%0.58141%0.405SS*.EExtended strand (participates in β ladder)trans-121.1131.5-177.5-56-172.6-170.8-176.34.8111.1T315T315-R317 HydrophobicContact CG2-CG 4.38Å
318F71Confident59.7Low46 Ų4674.9 Ų74.920%0.20243%0.43CS..EExtended strand (participates in β ladder)trans-121.3144.1177.7-62.4-80.6000110.8Y275 L276 I278 I316 P365Y275-F318 CarbonylContact C-O 3.56Å; Y275-F318 WeakPolarHBondContact CA-O 3.1Å; L276-F318 HydrophobicContact CD2-CD2 4.49Å; L276-F318 PolarHBondContact N-O 2.71Å; L276-F318 PolarHBondContact O-N 2.99Å; I278-F318 HydrophobicContact CD1-CD2 3.78Å; I278-F318 HydrophobicContact CD1-CE2 3.69Å; I278-F318 HydrophobicContact CG1-CD2 4.1Å; I278-F318 HydrophobicContact CG1-CE2 4.16Å; I316-F318 HydrophobicContact CB-CE2 3.92Å; I316-F318 HydrophobicContact CB-CZ 4.34Å; I316-F318 HydrophobicContact CG2-CD2 4.45Å; I316-F318 HydrophobicContact CG2-CE1 4.41Å; I316-F318 HydrophobicContact CG2-CE2 3.44Å; I316-F318 VanDerWaalsContact CG2-CE2 3.44Å; I316-F318 HydrophobicContact CG2-CZ 3.4Å; F318-P365 HydrophobicContact CD1-CG 4.03Å; F318-P365 HydrophobicContact CD2-CG 3.88Å; F318-P365 HydrophobicContact CE1-CG 3.75Å; F318-P365 HydrophobicContact CE2-CG 3.59Å; F318-P365 HydrophobicContact CG-CG 4.1Å; F318-P365 HydrophobicContact CZ-CG 3.54Å
319T69.9Low59.4Low66 Ų6683 Ų8341%0.40546%0.464SS..EExtended strand (participates in β ladder)trans-99.1148.9178.847.20000111.6Y275 W330 Y357Y275-T319 HydrophobicContact CD1-CG2 3.75Å; Y275-T319 HydrophobicContact CE1-CG2 3.54Å; T319-W330 HydrophobicContact CG2-CE3 4.27Å; T319-W330 HydrophobicContact CG2-CH2 4.2Å; T319-W330 HydrophobicContact CG2-CZ3 3.56Å; T319-Y357 PolarHBondContact O-OH 2.87Å
320T66.3Low59.5Low3 Ų387.4 Ų87.42%0.01848%0.476CS..  trans-94.3-5.7173.158.20000114.1G274 P331 I333 R355G274-T320 PolarHBondContact O-N 3.06Å; G274-T320 VanDerWaalsContact O-N 3.1Å; G274-T320 PolarHBondContact O-OG1 3.25Å; T320-P331 PolarHBondContact OG1-O 3.44Å; T320-I333 HydrophobicContact CG2-CD1 3.67Å; T320-I333 HydrophobicContact CG2-CG1 3.73Å; T320-R355 PolarHBondContact O-NE 2.89Å; T320-R355 PolarHBondContact O-NH2 2.84Å
321A62.6Low59.7Low25 Ų2587.3 Ų87.321%0.20748%0.476CS..SBendtrans-68.6144.4175.400000111.3W330A321-W330 HydrophobicContact CB-CE3 3.54Å; A321-W330 HydrophobicContact CB-CZ3 3.51Å
322P56.2Low60.2Low86 Ų8683.2 Ų83.256%0.55846%0.459SS*.PPolyproline II helixtrans-65.8141.2168.230.3-34000110
323E48.8Very low60.9Low202 Ų20281.9 Ų81.994%0.94445%0.452SS*.THydrogen-bonded Turntrans-59.9137.8177.3-62-178.8151.500110.9
324G43.2Very low61.5Low77 Ų7780.3 Ų80.379%0.79445%0.448SS*.THydrogen-bonded Turntrans98.63.4172.400000117.9P326G324-P326 WeakPolarHBondContact O-CD 3.43Å
325T46.3Very low62.8Low73 Ų7375.7 Ų75.745%0.44842%0.418SS..  trans-118.289.3176.355.60000113.4N327T325-N327 VanDerWaalsContact C-N 3.35Å; T325-N327 PolarHBondContact O-N 2.97Å
326P40.8Very low63.7Low122 Ų12274 Ų7479%0.79241%0.407SS*.THydrogen-bonded Turntrans-75.7-9.9-17028.8-35.9000116.2G324G324-P326 WeakPolarHBondContact O-CD 3.43Å
327N38.5Very low64.7Low159 Ų15974.2 Ų74.285%0.8541%0.409SS*.THydrogen-bonded Turntrans-123.228-168.9-83-23000114.7T325T325-N327 VanDerWaalsContact C-N 3.35Å; T325-N327 PolarHBondContact O-N 2.97Å
328V46.5Very low65.5Low100 Ų10068 Ų6861%0.60639%0.388SS*.SBendtrans-118.1141.5-179.6-175.10000111.1W330V328-W330 PolarHBondContact O-N 3.28Å
329F53.1Low66.4Low181 Ų18166 Ų6679%0.79438%0.38SS*.PPolyproline II helixtrans-54.1120.2174.5-97.9-109.1000111.3
330W64.4Low66.9Low117 Ų11764.3 Ų64.344%0.44337%0.37SS..PPolyproline II helixtrans-53.9127.8176.8-55.287.6000111.3G273 T319 A321 V328 S332G273-W330 WeakPolarHBondContact O-CB 3.46Å; T319-W330 HydrophobicContact CG2-CE3 4.27Å; T319-W330 HydrophobicContact CG2-CH2 4.2Å; T319-W330 HydrophobicContact CG2-CZ3 3.56Å; A321-W330 HydrophobicContact CB-CE3 3.54Å; A321-W330 HydrophobicContact CB-CZ3 3.51Å; V328-W330 PolarHBondContact O-N 3.28Å; W330-S332 PolarHBondContact O-N 2.86Å
331P71.9Confident67.5Low16 Ų1664.2 Ų64.210%0.10437%0.369CS..PPolyproline II helixtrans-71123.8179.727.9-31.5000109.7G274 T320 D351G274-P331 WeakPolarHBondContact CA-O 3.45Å; T320-P331 PolarHBondContact OG1-O 3.44Å; P331-D351 HydrophobicContact CB-CB 4Å
332S78.2Confident68.4Low22 Ų2263.2 Ų63.215%0.15436%0.361CS..PPolyproline II helixtrans-73131.1-172.6-157.90000110.7F272 W330 C349 S350F272-S332 VanDerWaalsContact C-OG 3.26Å; F272-S332 WeakPolarHBondContact CA-OG 3.44Å; F272-S332 WeakPolarHBondContact CB-OG 3.47Å; F272-S332 VanDerWaalsContact CD1-OG 3.31Å; F272-S332 WeakPolarHBondContact CD1-OG 3.36Å; F272-S332 PolarHBondContact O-OG 3.36Å; W330-S332 PolarHBondContact O-N 2.86Å; S332-C349 CarbonylContact O-C 3.41Å; S332-C349 WeakPolarHBondContact O-CA 3.16Å; S332-S350 WeakPolarHBondContact CB-OG 3.26Å; S332-S350 PolarHBondContact N-OG 3.46Å; S332-S350 PolarHBondContact O-N 3.25Å
333I84.2Confident69.7Low0 Ų059.1 Ų59.10%034%0.335CS..EExtended strand (participates in β ladder)trans-78.9122.1171.1-56.9164000107S236 L276 T320 C335 A347S236-I333 WeakPolarHBondContact CB-O 3.38Å; S236-I333 PolarHBondContact OG-O 3.3Å; L276-I333 HydrophobicContact CB-CD1 4.2Å; T320-I333 HydrophobicContact CG2-CD1 3.67Å; T320-I333 HydrophobicContact CG2-CG1 3.73Å; I333-C335 WeakPolarHBondContact CG2-O 3.26Å; I333-A347 HydrophobicContact CG2-CB 4.28Å
334A82.1Confident71.6Confident28 Ų2849.5 Ų49.523%0.23129%0.29CS..EExtended strand (participates in β ladder)trans-106.9-12.7-179.500000113.2G348A334-G348 PolarHBondContact N-O 3.19Å
335C84.8Confident73.7Confident15 Ų1545.9 Ų45.910%0.10125%0.252CS..EExtended strand (participates in β ladder)trans-166158.5173.851.80000110.6I333 G348 N379 S380I333-C335 WeakPolarHBondContact CG2-O 3.26Å; C335-G348 PolarHBondContact N-O 3.45Å; C335-G348 PolarHBondContact O-N 2.78Å; C335-N379 VanDerWaalsContact SG-C 3.51Å; C335-S380 VanDerWaalsContact SG-CA 3.51Å; C335-S380 PolarHBondContact SG-N 3.28Å; C335-S380 VanDerWaalsContact SG-N 3.43Å
336I89.7Confident75.8Confident18 Ų1842.4 Ų42.49%0.09223%0.231CC..EExtended strand (participates in β ladder)trans-137149.6176.8-172.5177.3000109G237 I268 L276 V345 A346G237-I336 VanDerWaalsContact CA-CG2 3.42Å; I268-I336 HydrophobicContact CB-CD1 4.29Å; I268-I336 HydrophobicContact CG2-CD1 3.49Å; I268-I336 VanDerWaalsContact CG2-CD1 3.49Å; L276-I336 HydrophobicContact CD1-CD1 3.72Å; I336-V345 HydrophobicContact CD1-CG1 3.67Å; I336-V345 HydrophobicContact CG1-CG1 3.65Å; I336-A346 CarbonylContact C-O 3.44Å; I336-A346 WeakPolarHBondContact CA-O 3.43Å
337D90Very high78.1Confident48 Ų4836.6 Ų36.626%0.25719%0.193SC..EExtended strand (participates in β ladder)trans-148.2164.8157.9-166.624.1000111.6V345 A346 A382 F383D337-V345 WeakPolarHBondContact O-CA 3.49Å; D337-A346 PolarHBondContact N-O 3.22Å; D337-A346 PolarHBondContact O-N 2.91Å; D337-A382 VanDerWaalsContact OD2-CA 3.24Å; D337-A382 WeakPolarHBondContact OD2-CA 3.5Å; D337-F383 HydrophobicContact CB-CD2 4.21Å; D337-F383 PolarHBondContact OD2-N 3.39Å
338V88Confident80.5Confident24 Ų2429 Ų2915%0.14515%0.153CC..EExtended strand (participates in β ladder)trans-121.2141-172.9-171.30000110.1A239 L241 I268 V345 F383A239-V338 HydrophobicContact CB-CG2 3.84Å; L241-V338 HydrophobicContact CD1-CG1 3.85Å; I268-V338 HydrophobicContact CD1-CG2 4.41Å; V338-V345 HydrophobicContact CG1-CG2 4.28Å; V338-V345 HydrophobicContact CG2-CG2 4.25Å; V338-F383 WeakPolarHBondContact O-CD2 3.43Å
339S88.3Confident82.5Confident4 Ų424.2 Ų24.23%0.02812%0.124CC..  trans-66.7151.9175.867.50000111.8G341 G342 L343 L344 E914S339-G341 PolarHBondContact O-N 3.42Å; S339-G342 WeakPolarHBondContact O-CA 3.17Å; S339-G342 PolarHBondContact O-N 3.36Å; S339-G342 PolarHBondContact OG-N 2.82Å; S339-L343 PolarHBondContact OG-N 3.17Å; S339-L344 PolarHBondContact N-O 2.72Å; S339-L344 PolarHBondContact OG-N 3.4Å; S339-L344 PolarHBondContact OG-O 3.16Å; S339-E914 VanDerWaalsContact CB-OE1 3.23Å; S339-E914 WeakPolarHBondContact CB-OE1 3.42Å; S339-E914 WeakPolarHBondContact CB-OE2 3.31Å; S339-E914 VanDerWaalsContact OG-CD 3.29Å; S339-E914 PolarHBondContact OG-OE1 3.05Å; S339-E914 PolarHBondContact OG-OE2 3.5Å
340P82.1Confident84Confident30 Ų3018.3 Ų18.320%0.19511%0.105CC..THydrogen-bonded Turntrans-63.4-22.9-17425.3-36.6000115.1S384 H385 E914P340-S384 WeakPolarHBondContact CD-O 3.3Å; P340-S384 WeakPolarHBondContact CG-O 3.35Å; P340-H385 WeakPolarHBondContact CB-O 3.2Å; P340-E914 WeakPolarHBondContact CD-OE1 3.34Å; P340-E914 WeakPolarHBondContact CG-OE1 3.35Å
341G78.5Confident85Confident1 Ų115.3 Ų15.31%0.0110%0.098CC..THydrogen-bonded Turntrans-83.9-20.7167.800000113.9S339 Y911 E914S339-G341 PolarHBondContact O-N 3.42Å; G341-Y911 WeakPolarHBondContact O-CB 3.43Å; G341-Y911 WeakPolarHBondContact O-CD2 3.37Å; G341-E914 WeakPolarHBondContact CA-OE2 3.21Å; G341-E914 VanDerWaalsContact N-CD 3.28Å; G341-E914 PolarHBondContact N-OE1 3.01Å; G341-E914 PolarHBondContact N-OE2 3.38Å
342G81.2Confident85.8Confident4 Ų418.7 Ų18.74%0.04111%0.112CC..SBendtrans87.67.4-176.800000114.9S339 E914S339-G342 WeakPolarHBondContact O-CA 3.17Å; S339-G342 PolarHBondContact O-N 3.36Å; S339-G342 PolarHBondContact OG-N 2.82Å; G342-E914 PolarHBondContact N-OE2 3.18Å
343L83.6Confident86.2Confident0 Ų023.2 Ų23.20%013%0.126CC..SBendtrans-74.6-31.2178.9-178.862.9000113S339 Q358 F359 M360 Y911 E914 R915 F918S339-L343 PolarHBondContact OG-N 3.17Å; L343-Q358 HydrophobicContact CD1-CG 4.01Å; L343-Q358 HydrophobicContact CG-CG 4.32Å; L343-Q358 CarbonylContact O-C 3.56Å; L343-Q358 WeakPolarHBondContact O-CA 3.25Å; L343-F359 PolarHBondContact O-N 3.4Å; L343-M360 HydrophobicContact CD1-CG 3.96Å; L343-M360 HydrophobicContact CD1-SD 3.85Å; L343-Y911 HydrophobicContact CB-CD2 4.08Å; L343-Y911 HydrophobicContact CB-CE2 4Å; L343-Y911 HydrophobicContact CD1-CE2 3.82Å; L343-E914 HydrophobicContact CB-CB 4.02Å; L343-E914 WeakPolarHBondContact CB-OE2 3.46Å; L343-E914 HydrophobicContact CD2-CB 3.98Å; L343-E914 PolarHBondContact N-OE2 2.83Å; L343-R915 VanDerWaalsContact CD2-CA 3.45Å; L343-R915 HydrophobicContact CD2-CB 4.02Å; L343-F918 HydrophobicContact CD2-CB 4.32Å
344L87.4Confident86.5Confident1 Ų123.2 Ų23.21%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-121.1144.9-175.5-61.6177.4000112S339 Y357 Q358 A368 F383 L388 W410 F918S339-L344 PolarHBondContact N-O 2.72Å; S339-L344 PolarHBondContact OG-N 3.4Å; S339-L344 PolarHBondContact OG-O 3.16Å; L344-Y357 CarbonylContact C-O 3.49Å; L344-Y357 VanDerWaalsContact CA-O 3.27Å; L344-Y357 WeakPolarHBondContact CA-O 3.4Å; L344-Q358 HydrophobicContact CD2-CB 3.86Å; L344-Q358 HydrophobicContact CD2-CG 4.29Å; L344-A368 HydrophobicContact CD2-CB 4.16Å; L344-F383 HydrophobicContact CB-CE1 4.45Å; L344-F383 HydrophobicContact CB-CZ 3.98Å; L344-L388 HydrophobicContact CD1-CD1 4.39Å; L344-L388 HydrophobicContact CD1-CD2 3.84Å; L344-W410 HydrophobicContact CD1-CZ2 4.14Å; L344-F918 HydrophobicContact CD1-CD2 4Å; L344-F918 HydrophobicContact CD1-CE2 3.74Å; L344-F918 HydrophobicContact CD1-CZ 4.49Å; L344-F918 HydrophobicContact CD2-CE2 4.23Å; L344-F918 HydrophobicContact CD2-CZ 4.23Å
345V88.6Confident86.8Confident0 Ų023.1 Ų23.10%012%0.119CC..EExtended strand (participates in β ladder)trans-125.6133.1170.5177.10000108.7I268 L276 I336 D337 V338 L356 Y357 F359I268-V345 HydrophobicContact CD1-CG2 3.85Å; L276-V345 HydrophobicContact CD1-CG1 4.23Å; I336-V345 HydrophobicContact CD1-CG1 3.67Å; I336-V345 HydrophobicContact CG1-CG1 3.65Å; D337-V345 WeakPolarHBondContact O-CA 3.49Å; V338-V345 HydrophobicContact CG1-CG2 4.28Å; V338-V345 HydrophobicContact CG2-CG2 4.25Å; V345-L356 CarbonylContact O-C 3.46Å; V345-L356 WeakPolarHBondContact O-CA 3.45Å; V345-Y357 PolarHBondContact N-O 3.41Å; V345-Y357 PolarHBondContact O-N 3.11Å; V345-F359 HydrophobicContact CB-CD2 4.33Å; V345-F359 HydrophobicContact CB-CE2 3.78Å; V345-F359 HydrophobicContact CG2-CD2 3.68Å; V345-F359 HydrophobicContact CG2-CE2 3.33Å; V345-F359 HydrophobicContact CG2-CZ 4.15Å
346A90.4Very high87.1Confident0 Ų022.5 Ų22.50%012%0.115CC..EExtended strand (participates in β ladder)trans-113.8119.618000000110.4I336 D337 I354 R355 L356 V381 F383 L390I336-A346 CarbonylContact C-O 3.44Å; I336-A346 WeakPolarHBondContact CA-O 3.43Å; D337-A346 PolarHBondContact N-O 3.22Å; D337-A346 PolarHBondContact O-N 2.91Å; A346-I354 HydrophobicContact CB-CG2 4.09Å; A346-R355 CarbonylContact C-O 3.57Å; A346-R355 WeakPolarHBondContact CA-O 3.47Å; A346-L356 HydrophobicContact CB-CD2 3.56Å; A346-V381 HydrophobicContact CB-CG1 3.62Å; A346-F383 HydrophobicContact CB-CD2 4.43Å; A346-F383 HydrophobicContact CB-CE2 3.49Å; A346-F383 VanDerWaalsContact CB-CE2 3.49Å; A346-F383 HydrophobicContact CB-CZ 3.82Å; A346-L390 HydrophobicContact CB-CD1 4.02Å; A346-L390 HydrophobicContact CB-CD2 4.23Å
347A89.1Confident86.9Confident0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-106.8119.4178.100000110.5I333 I354 R355 Y357I333-A347 HydrophobicContact CG2-CB 4.28Å; A347-I354 WeakPolarHBondContact O-CA 3.33Å; A347-R355 PolarHBondContact N-O 3.01Å; A347-R355 PolarHBondContact O-N 3.38Å; A347-Y357 HydrophobicContact CB-CE2 4.44Å
348G88.8Confident86.6Confident0 Ų022.4 Ų22.40%011%0.112CC..EExtended strand (participates in β ladder)trans-85.6121173.900000110.9A334 C335A334-G348 PolarHBondContact N-O 3.19Å; C335-G348 PolarHBondContact N-O 3.45Å; C335-G348 PolarHBondContact O-N 2.78Å
349C87.5Confident86.1Confident0 Ų021.6 Ų21.60%011%0.106CC..EExtended strand (participates in β ladder)trans-112.9154.5-169-63.60000113.6S332 D351 Q352 R353 R355 V378S332-C349 CarbonylContact O-C 3.41Å; S332-C349 WeakPolarHBondContact O-CA 3.16Å; C349-D351 WeakPolarHBondContact CB-OD1 3.25Å; C349-D351 PolarHBondContact O-N 2.88Å; C349-Q352 PolarHBondContact O-N 2.91Å; C349-R353 WeakPolarHBondContact CB-O 3.35Å; C349-R353 PolarHBondContact N-O 2.84Å; C349-R355 PolarHBondContact SG-NH1 2.88Å; C349-V378 PolarHBondContact O-N 2.89Å
350S85.6Confident85.3Confident56 Ų5625.3 Ų25.339%0.39212%0.124SC..THydrogen-bonded Turntrans-65.5-16.3177.968.20000114.3S332 Q352S332-S350 WeakPolarHBondContact CB-OG 3.26Å; S332-S350 PolarHBondContact N-OG 3.46Å; S332-S350 PolarHBondContact O-N 3.25Å; S350-Q352 PolarHBondContact O-N 2.92Å
351D85.3Confident84.6Confident55 Ų5527.2 Ų27.229%0.29413%0.132SC..THydrogen-bonded Turntrans-85.617.3176.971.6-14.7000113.9P331 C349 R353 R355P331-D351 HydrophobicContact CB-CB 4Å; C349-D351 WeakPolarHBondContact CB-OD1 3.25Å; C349-D351 PolarHBondContact O-N 2.88Å; D351-R353 PolarHBondContact O-N 2.8Å; D351-R353 PolarHBondContact OD1-N 3.09Å; D351-R355 VanDerWaalsContact CG-NH1 3.31Å; D351-R355 IonicContact OD1-CZ 2.77Å; D351-R355 IonicContact OD1-NH1 3.3Å; D351-R355 PolarHBondContact OD1-NH1 2.9Å; D351-R355 IonicContact OD2-CZ 2.97Å; D351-R355 VanDerWaalsContact OD2-CZ 3.27Å; D351-R355 IonicContact OD2-NH1 3.31Å; D351-R355 PolarHBondContact OD2-NH1 3.41Å; D351-R355 IonicContact OD2-NH2 2.8Å; D351-R355 PolarHBondContact OD2-NH2 3.31Å
352Q87.9Confident83.7Confident86 Ų8628 Ų2840%0.40214%0.137SC..SBendtrans72.711.5175.2-41.6162.431.200113.8C349 S350 E375C349-Q352 PolarHBondContact O-N 2.91Å; S350-Q352 PolarHBondContact O-N 2.92Å; Q352-E375 PolarHBondContact OE1-O 2.88Å
353R87.6Confident82.7Confident117 Ų11732.9 Ų32.944%0.44216%0.162SC..  trans-109153.5179.3-54.4-60.8166.9124.6-5111.7C349 D351 V370C349-R353 WeakPolarHBondContact CB-O 3.35Å; C349-R353 PolarHBondContact N-O 2.84Å; D351-R353 PolarHBondContact O-N 2.8Å; D351-R353 PolarHBondContact OD1-N 3.09Å; R353-V370 HydrophobicContact CB-CG1 3.82Å; R353-V370 HydrophobicContact CG-CG1 4.09Å
354I90Very high82Confident0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-105.5129.3158.8-50.994.9000107.2A346 A347 L356 V370 L371 V378 V381 T392A346-I354 HydrophobicContact CB-CG2 4.09Å; A347-I354 WeakPolarHBondContact O-CA 3.33Å; I354-L356 HydrophobicContact CG2-CD2 4.49Å; I354-V370 CarbonylContact O-C 3.56Å; I354-V370 WeakPolarHBondContact O-CA 3.48Å; I354-L371 HydrophobicContact CB-CB 4.23Å; I354-L371 HydrophobicContact CD1-CB 4.15Å; I354-L371 PolarHBondContact N-O 3.44Å; I354-L371 PolarHBondContact O-N 3.12Å; I354-V378 HydrophobicContact CD1-CG2 4.21Å; I354-V378 HydrophobicContact CG1-CG1 4.07Å; I354-V378 HydrophobicContact CG1-CG2 4.17Å; I354-V381 HydrophobicContact CG1-CG2 4.25Å; I354-V381 HydrophobicContact CG2-CG2 4.3Å; I354-T392 HydrophobicContact CD1-CG2 3.85Å; I354-T392 HydrophobicContact CG1-CG2 3.84Å
355R88.5Confident81.3Confident27 Ų2739.1 Ų39.110%0.10219%0.19CC..EExtended strand (participates in β ladder)trans-100.7137.8173.5-69167.1172.367.82.6109.1T320 A346 A347 C349 D351 Y357 V370T320-R355 PolarHBondContact O-NE 2.89Å; T320-R355 PolarHBondContact O-NH2 2.84Å; A346-R355 CarbonylContact C-O 3.57Å; A346-R355 WeakPolarHBondContact CA-O 3.47Å; A347-R355 PolarHBondContact N-O 3.01Å; A347-R355 PolarHBondContact O-N 3.38Å; C349-R355 PolarHBondContact SG-NH1 2.88Å; D351-R355 VanDerWaalsContact CG-NH1 3.31Å; D351-R355 IonicContact OD1-CZ 2.77Å; D351-R355 IonicContact OD1-NH1 3.3Å; D351-R355 PolarHBondContact OD1-NH1 2.9Å; D351-R355 IonicContact OD2-CZ 2.97Å; D351-R355 VanDerWaalsContact OD2-CZ 3.27Å; D351-R355 IonicContact OD2-NH1 3.31Å; D351-R355 PolarHBondContact OD2-NH1 3.41Å; D351-R355 IonicContact OD2-NH2 2.8Å; D351-R355 PolarHBondContact OD2-NH2 3.31Å; R355-Y357 HydrophobicContact CB-CE2 3.77Å; R355-V370 HydrophobicContact CG-CG2 4.43Å
356L90.3Very high80.8Confident1 Ų143.6 Ų43.61%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-110.5136.3175.4-59.4178.2000109.5V345 A346 I354 A368 G369 L371 L390 W410V345-L356 CarbonylContact O-C 3.46Å; V345-L356 WeakPolarHBondContact O-CA 3.45Å; A346-L356 HydrophobicContact CB-CD2 3.56Å; I354-L356 HydrophobicContact CG2-CD2 4.49Å; L356-A368 HydrophobicContact CB-CB 4.04Å; L356-A368 PolarHBondContact O-N 2.86Å; L356-G369 PolarHBondContact N-O 3.3Å; L356-G369 PolarHBondContact O-N 3.39Å; L356-L371 HydrophobicContact CD1-CD1 4.23Å; L356-L371 HydrophobicContact CD1-CG 4.25Å; L356-L390 HydrophobicContact CD2-CD2 4.23Å; L356-W410 HydrophobicContact CD1-CD2 4.43Å; L356-W410 HydrophobicContact CD1-CZ2 3.99Å; L356-W410 VanDerWaalsContact CD1-NE1 3.26Å
357Y85.7Confident80.4Confident28 Ų2849 Ų4911%0.1125%0.246CC..EExtended strand (participates in β ladder)trans-124.1140.9176.7-64.2-86.7000109.7T319 L344 V345 A347 R355 E366T319-Y357 PolarHBondContact O-OH 2.87Å; L344-Y357 CarbonylContact C-O 3.49Å; L344-Y357 VanDerWaalsContact CA-O 3.27Å; L344-Y357 WeakPolarHBondContact CA-O 3.4Å; V345-Y357 PolarHBondContact N-O 3.41Å; V345-Y357 PolarHBondContact O-N 3.11Å; A347-Y357 HydrophobicContact CB-CE2 4.44Å; R355-Y357 HydrophobicContact CB-CE2 3.77Å; Y357-E366 CarbonylContact C-O 3.46Å; Y357-E366 WeakPolarHBondContact CA-O 3.36Å
358Q85Confident80.1Confident37 Ų3750.3 Ų50.317%0.17326%0.257CS..EExtended strand (participates in β ladder)trans-113.6129.4-177.8173.817312.400111.1L343 L344 M360 P365 E366 A368L343-Q358 HydrophobicContact CD1-CG 4.01Å; L343-Q358 HydrophobicContact CG-CG 4.32Å; L343-Q358 CarbonylContact O-C 3.56Å; L343-Q358 WeakPolarHBondContact O-CA 3.25Å; L344-Q358 HydrophobicContact CD2-CB 3.86Å; L344-Q358 HydrophobicContact CD2-CG 4.29Å; Q358-M360 HydrophobicContact CG-CG 3.67Å; Q358-P365 VanDerWaalsContact O-CA 3.25Å; Q358-P365 WeakPolarHBondContact O-CA 3.24Å; Q358-E366 PolarHBondContact N-O 2.76Å; Q358-E366 PolarHBondContact O-N 3.29Å; Q358-A368 HydrophobicContact CB-CB 3.85Å
359F76.5Confident79.8Confident6 Ų651.8 Ų51.83%0.02627%0.273CS..  trans-104.638.1-168.3-82.5-91.5000113.9I278 L343 V345 N361 P365 Y911I278-F359 HydrophobicContact CD1-CE1 3.39Å; I278-F359 HydrophobicContact CD1-CZ 3.55Å; L343-F359 PolarHBondContact O-N 3.4Å; V345-F359 HydrophobicContact CB-CD2 4.33Å; V345-F359 HydrophobicContact CB-CE2 3.78Å; V345-F359 HydrophobicContact CG2-CD2 3.68Å; V345-F359 HydrophobicContact CG2-CE2 3.33Å; V345-F359 HydrophobicContact CG2-CZ 4.15Å; F359-N361 PolarHBondContact O-N 3.21Å; F359-N361 VanDerWaalsContact O-N 3.14Å; F359-P365 HydrophobicContact CD1-CB 3.92Å; F359-P365 HydrophobicContact CD1-CG 4.33Å; F359-P365 HydrophobicContact CD2-CB 4.11Å; F359-P365 HydrophobicContact CE1-CB 3.54Å; F359-P365 HydrophobicContact CE1-CG 3.6Å; F359-P365 HydrophobicContact CE2-CB 3.74Å; F359-P365 HydrophobicContact CE2-CG 4.44Å; F359-P365 HydrophobicContact CG-CB 4.19Å; F359-P365 HydrophobicContact CZ-CB 3.45Å; F359-P365 VanDerWaalsContact CZ-CB 3.45Å; F359-P365 HydrophobicContact CZ-CG 3.67Å; F359-Y911 PolarHBondContact O-OH 3.22Å
360M71.8Confident79.8Confident83 Ų8356 Ų5641%0.40930%0.298SS..SBendtrans-57.3-28.5177-70.9-80.3-94.600113.1L343 Q358 R915L343-M360 HydrophobicContact CD1-CG 3.96Å; L343-M360 HydrophobicContact CD1-SD 3.85Å; Q358-M360 HydrophobicContact CG-CG 3.67Å; M360-R915 HydrophobicContact CE-CG 4.31Å; M360-R915 HydrophobicContact SD-CG 3.87Å
361N67.4Low79.9Confident69 Ų6954 Ų5437%0.36928%0.283SS..SBendtrans-124.3120.8163.3179.9-12000107.9F359 L363 K364F359-N361 PolarHBondContact O-N 3.21Å; F359-N361 VanDerWaalsContact O-N 3.14Å; N361-L363 PolarHBondContact O-N 3.42Å; N361-L363 PolarHBondContact OD1-N 2.83Å; N361-K364 HydrophobicContact CB-CB 4.47Å; N361-K364 CarbonylContact O-C 3.52Å; N361-K364 PolarHBondContact O-N 3.4Å
362P59.6Low79.9Confident17 Ų1754 Ų5411%0.1129%0.291CS..THydrogen-bonded Turntrans-60-29.2-178.926.2-37000113V243 I246 M266 K364V243-P362 HydrophobicContact CG1-CB 3.75Å; V243-P362 HydrophobicContact CG1-CG 3.8Å; V243-P362 HydrophobicContact CG2-CB 4.2Å; I246-P362 HydrophobicContact CD1-CG 4.23Å; M266-P362 HydrophobicContact CE-CB 3.88Å; M266-P362 WeakPolarHBondContact CE-O 3.33Å; M266-P362 HydrophobicContact SD-CB 3.76Å; P362-K364 VanDerWaalsContact C-N 3.35Å
363L60.8Low79.2Confident108 Ų10851.2 Ų51.257%0.56528%0.282SS*.THydrogen-bonded Turntrans-82.9-11.7179.5-56.3175.7000113.1M266 I316 N361M266-L363 HydrophobicContact CE-CD2 4.31Å; I316-L363 HydrophobicContact CD1-CB 4.28Å; I316-L363 HydrophobicContact CD1-CD2 3.73Å; N361-L363 PolarHBondContact O-N 3.42Å; N361-L363 PolarHBondContact OD1-N 2.83Å
364K68.3Low79Confident119 Ų11946.2 Ų46.252%0.51726%0.264SS..SBendtrans-149.677.1-178.1-170.7-172.2176.9-112.40111N361 P362 E366N361-K364 HydrophobicContact CB-CB 4.47Å; N361-K364 CarbonylContact O-C 3.52Å; N361-K364 PolarHBondContact O-N 3.4Å; P362-K364 VanDerWaalsContact C-N 3.35Å; K364-E366 IonicContact NZ-OE1 3.97Å; K364-E366 PolarHBondContact NZ-OE1 3.49Å
365P72.8Confident78.6Confident12 Ų1253.1 Ų53.18%0.07830%0.296CS..  trans-58.5148.9164.123-34.8000112.9I278 F318 Q358 F359I278-P365 HydrophobicContact CD1-CG 4.26Å; F318-P365 HydrophobicContact CD1-CG 4.03Å; F318-P365 HydrophobicContact CD2-CG 3.88Å; F318-P365 HydrophobicContact CE1-CG 3.75Å; F318-P365 HydrophobicContact CE2-CG 3.59Å; F318-P365 HydrophobicContact CG-CG 4.1Å; F318-P365 HydrophobicContact CZ-CG 3.54Å; Q358-P365 VanDerWaalsContact O-CA 3.25Å; Q358-P365 WeakPolarHBondContact O-CA 3.24Å; F359-P365 HydrophobicContact CD1-CB 3.92Å; F359-P365 HydrophobicContact CD1-CG 4.33Å; F359-P365 HydrophobicContact CD2-CB 4.11Å; F359-P365 HydrophobicContact CE1-CB 3.54Å; F359-P365 HydrophobicContact CE1-CG 3.6Å; F359-P365 HydrophobicContact CE2-CB 3.74Å; F359-P365 HydrophobicContact CE2-CG 4.44Å; F359-P365 HydrophobicContact CG-CB 4.19Å; F359-P365 HydrophobicContact CZ-CB 3.45Å; F359-P365 VanDerWaalsContact CZ-CB 3.45Å; F359-P365 HydrophobicContact CZ-CG 3.67Å
366E78.7Confident78.4Confident95 Ų9553.7 Ų53.744%0.44430%0.3SS..EExtended strand (participates in β ladder)trans-123.5146.9-179.6-56.2-167.5144.800110.5Y357 Q358 K364 A368Y357-E366 CarbonylContact C-O 3.46Å; Y357-E366 WeakPolarHBondContact CA-O 3.36Å; Q358-E366 PolarHBondContact N-O 2.76Å; Q358-E366 PolarHBondContact O-N 3.29Å; K364-E366 IonicContact NZ-OE1 3.97Å; K364-E366 PolarHBondContact NZ-OE1 3.49Å; E366-A368 PolarHBondContact O-N 2.96Å
367P81.1Confident78.2Confident112 Ų11254.8 Ų54.873%0.72731%0.308SS*.EExtended strand (participates in β ladder)trans-72.3111.1-17728.4-33.8000111.4
368A82.8Confident78.3Confident29 Ų2953.5 Ų53.524%0.2430%0.303CS..EExtended strand (participates in β ladder)trans-86.1-15.9-174.300000114.1L344 L356 Q358 E366 F918L344-A368 HydrophobicContact CD2-CB 4.16Å; L356-A368 HydrophobicContact CB-CB 4.04Å; L356-A368 PolarHBondContact O-N 2.86Å; Q358-A368 HydrophobicContact CB-CB 3.85Å; E366-A368 PolarHBondContact O-N 2.96Å; A368-F918 HydrophobicContact CB-CE1 4.43Å; A368-F918 HydrophobicContact CB-CZ 4.17Å
369G83Confident78.3Confident31 Ų3154.1 Ų54.132%0.3231%0.307SS..EExtended strand (participates in β ladder)trans155.5177.2175.100000114.5L356L356-G369 PolarHBondContact N-O 3.3Å; L356-G369 PolarHBondContact O-N 3.39Å
370V87Confident78.9Confident87 Ų8754.1 Ų54.153%0.52731%0.308SS..EExtended strand (participates in β ladder)trans-134.6122178-175.20000110.1R353 I354 R355R353-V370 HydrophobicContact CB-CG1 3.82Å; R353-V370 HydrophobicContact CG-CG1 4.09Å; I354-V370 CarbonylContact O-C 3.56Å; I354-V370 WeakPolarHBondContact O-CA 3.48Å; R355-V370 HydrophobicContact CG-CG2 4.43Å
371L88.8Confident79.8Confident14 Ų1450.5 Ų50.57%0.07329%0.291CS..EExtended strand (participates in β ladder)trans-96.6137.6176.7-51.9179.4000110.2I354 L356 L390 W403 W410I354-L371 HydrophobicContact CB-CB 4.23Å; I354-L371 HydrophobicContact CD1-CB 4.15Å; I354-L371 PolarHBondContact N-O 3.44Å; I354-L371 PolarHBondContact O-N 3.12Å; L356-L371 HydrophobicContact CD1-CD1 4.23Å; L356-L371 HydrophobicContact CD1-CG 4.25Å; L371-L390 HydrophobicContact CD1-CD2 3.89Å; L371-W403 HydrophobicContact CB-CH2 3.76Å; L371-W403 HydrophobicContact CB-CZ2 3.94Å; L371-W403 HydrophobicContact CB-CZ3 4.06Å; L371-W403 HydrophobicContact CD1-CD2 3.88Å; L371-W403 HydrophobicContact CD1-CE3 3.96Å; L371-W403 HydrophobicContact CD1-CG 4.28Å; L371-W403 HydrophobicContact CD1-CZ2 4.49Å; L371-W403 HydrophobicContact CD1-CZ3 4.32Å; L371-W403 HydrophobicContact CD2-CE3 4.11Å; L371-W403 HydrophobicContact CD2-CH2 4.5Å; L371-W403 HydrophobicContact CD2-CZ3 3.94Å; L371-W403 HydrophobicContact CG-CE3 4.43Å; L371-W403 HydrophobicContact CG-CZ3 4.33Å; L371-W410 HydrophobicContact CD1-CD2 4.48Å; L371-W410 HydrophobicContact CD1-CG 4.43Å; L371-W410 HydrophobicContact CD2-CB 3.62Å; L371-W410 HydrophobicContact CD2-CG 3.8Å
372A84.2Confident81Confident57 Ų5747.5 Ų47.547%0.47128%0.275SS..  trans-143.184.1-167.800000112.2
373A73.2Confident82.5Confident27 Ų2747 Ų4722%0.22327%0.271CS..  trans-133.6-1.1-179.700000115.4W401 W403A373-W401 HydrophobicContact CB-CD2 3.8Å; A373-W401 HydrophobicContact CB-CE3 4.1Å; A373-W401 HydrophobicContact CB-CG 4.32Å; A373-W401 HydrophobicContact CB-CH2 4.06Å; A373-W401 HydrophobicContact CB-CZ2 3.78Å; A373-W401 HydrophobicContact CB-CZ3 4.22Å; A373-W401 WeakPolarHBondContact O-CZ2 3.09Å; A373-W401 PolarHBondContact O-NE1 3.3Å; A373-W403 HydrophobicContact CB-CH2 3.67Å; A373-W403 HydrophobicContact CB-CZ2 3.57Å
374H83.8Confident83.9Confident12 Ų1241.8 Ų41.86%0.05624%0.244CC..  trans-102.8152.9-178.7-62.6-69.5000112V378 T392 S394 D396 S399 W401H374-V378 HydrophobicContact CB-CG2 4.49Å; H374-T392 PolarHBondContact NE2-O 2.87Å; H374-S394 WeakPolarHBondContact CE1-CB 3.45Å; H374-S394 WeakPolarHBondContact ND1-CB 3.14Å; H374-D396 IonicContact CE1-OD2 3.24Å; H374-D396 PolarHBondContact CE1-OD2 2.83Å; H374-D396 IonicContact ND1-OD2 3.25Å; H374-S399 PolarHBondContact CE1-OG 2.92Å; H374-S399 PolarHBondContact ND1-OG 2.93Å; H374-S399 PolarHBondContact NE2-O 3.33Å; H374-W401 AromaticContact CE1-CD1 3.57Å; H374-W401 AromaticContact CE1-NE1 3.57Å; H374-W401 AromaticContact ND1-CD1 3.6Å; H374-W401 AromaticContact ND1-NE1 3.83Å; H374-W401 AromaticContact NE2-CD1 3.16Å
375E81.3Confident84.8Confident145 Ų14539.8 Ų39.868%0.67824%0.237SC*.SBendtrans-104-2.4175.8-62.7-169.4178.700113.5Q352 D396Q352-E375 PolarHBondContact OE1-O 2.88Å; E375-D396 HydrophobicContact CB-CB 4.29Å
376E84.8Confident85.2Confident38 Ų3842.1 Ų42.118%0.17825%0.253CS..SBendtrans-138.6179.3173.1-71-158.9-147.100110.4V378 S395 D396 R424 K1272E376-V378 PolarHBondContact O-N 3.32Å; E376-S395 WeakPolarHBondContact OE2-CB 3.39Å; E376-D396 HydrophobicContact CB-CB 4.07Å; E376-D396 HydrophobicContact CG-CB 4.09Å; E376-R424 IonicContact OE1-NH2 2.73Å; E376-R424 PolarHBondContact OE1-NH2 3.37Å; E376-R424 IonicContact OE2-NH2 3.52Å; E376-R424 PolarHBondContact OE2-NH2 2.83Å; E376-K1272 VanDerWaalsContact CD-NZ 3.33Å; E376-K1272 WeakPolarHBondContact OE2-CE 3.45Å; E376-K1272 IonicContact OE2-NZ 3.56Å; E376-K1272 PolarHBondContact OE2-NZ 2.82Å
377S85.3Confident85Confident25 Ų2539.9 Ų39.918%0.17526%0.255CS..  trans-48.7135.3175.8-166.70000111.3N379 S394 S395S377-N379 PolarHBondContact O-OD1 2.92Å; S377-S394 WeakPolarHBondContact O-CA 3.46Å; S377-S395 PolarHBondContact O-N 2.81Å; S377-S395 VanDerWaalsContact O-N 3.11Å
378V88Confident85.1Confident0 Ų035 Ų350%022%0.223CC..EExtended strand (participates in β ladder)trans-78118.9168.6-167.80000106.9C349 I354 H374 E376 V381C349-V378 PolarHBondContact O-N 2.89Å; I354-V378 HydrophobicContact CD1-CG2 4.21Å; I354-V378 HydrophobicContact CG1-CG1 4.07Å; I354-V378 HydrophobicContact CG1-CG2 4.17Å; H374-V378 HydrophobicContact CB-CG2 4.49Å; E376-V378 PolarHBondContact O-N 3.32Å; V378-V381 HydrophobicContact CG1-CG2 3.73Å
379N85Confident85.4Confident50 Ų5034.2 Ų34.227%0.26721%0.214SC..EExtended strand (participates in β ladder)trans-98.7-23.2-174.9-66.16.9000112.5C335 S377 G393 S395C335-N379 VanDerWaalsContact SG-C 3.51Å; S377-N379 PolarHBondContact O-OD1 2.92Å; N379-G393 PolarHBondContact N-O 2.81Å; N379-S395 VanDerWaalsContact CG-OG 3.31Å; N379-S395 PolarHBondContact ND2-OG 2.76Å; N379-S395 PolarHBondContact OD1-OG 2.95Å
380S88.4Confident85.8Confident6 Ų632.8 Ų32.84%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-153.5142.6-178.51790000110.1C335 G393 L428C335-S380 VanDerWaalsContact SG-CA 3.51Å; C335-S380 PolarHBondContact SG-N 3.28Å; C335-S380 VanDerWaalsContact SG-N 3.43Å; S380-G393 PolarHBondContact N-O 3Å; S380-G393 PolarHBondContact O-N 3.38Å; S380-L428 PolarHBondContact OG-N 3.05Å
381V91.8Very high86Confident7 Ų728.6 Ų28.64%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-137.5138.2-179.6173.50000106.3A346 I354 V378 L390 A391 T392A346-V381 HydrophobicContact CB-CG1 3.62Å; I354-V381 HydrophobicContact CG1-CG2 4.25Å; I354-V381 HydrophobicContact CG2-CG2 4.3Å; V378-V381 HydrophobicContact CG1-CG2 3.73Å; V381-L390 HydrophobicContact CG1-CD1 3.66Å; V381-L390 HydrophobicContact CG1-CD2 4.49Å; V381-L390 HydrophobicContact CG1-CG 4.31Å; V381-A391 CarbonylContact C-O 3.41Å; V381-A391 WeakPolarHBondContact CA-O 3.31Å; V381-T392 HydrophobicContact CG1-CG2 4.42Å; V381-T392 HydrophobicContact CG2-CG2 4.23Å
382A92Very high86.2Confident6 Ų628 Ų285%0.0517%0.171CC..EExtended strand (participates in β ladder)trans-152120.2-179.200000112.4D337 L390 A391 L428 W430D337-A382 VanDerWaalsContact OD2-CA 3.24Å; D337-A382 WeakPolarHBondContact OD2-CA 3.5Å; A382-L390 CarbonylContact O-C 3.58Å; A382-A391 PolarHBondContact N-O 3.4Å; A382-A391 PolarHBondContact O-N 3.14Å; A382-L428 HydrophobicContact CB-CB 4.31Å; A382-L428 WeakPolarHBondContact CB-O 3.38Å; A382-W430 PolarHBondContact O-NE1 2.85Å
383F92.1Very high86.4Confident6 Ų625.2 Ų25.23%0.02615%0.148CC..EExtended strand (participates in β ladder)trans-74.7149172-79.2-84.5000111.5D337 V338 L344 A346 K389 L390 W410 W430D337-F383 HydrophobicContact CB-CD2 4.21Å; D337-F383 PolarHBondContact OD2-N 3.39Å; V338-F383 WeakPolarHBondContact O-CD2 3.43Å; L344-F383 HydrophobicContact CB-CE1 4.45Å; L344-F383 HydrophobicContact CB-CZ 3.98Å; A346-F383 HydrophobicContact CB-CD2 4.43Å; A346-F383 HydrophobicContact CB-CE2 3.49Å; A346-F383 VanDerWaalsContact CB-CE2 3.49Å; A346-F383 HydrophobicContact CB-CZ 3.82Å; F383-K389 WeakPolarHBondContact CA-O 3.12Å; F383-L390 HydrophobicContact CB-CD1 4.44Å; F383-L390 HydrophobicContact CD1-CB 4.4Å; F383-L390 HydrophobicContact CD1-CD1 3.74Å; F383-L390 HydrophobicContact CD2-CD1 3.69Å; F383-L390 HydrophobicContact CE1-CD1 3.86Å; F383-L390 HydrophobicContact CE2-CD1 3.82Å; F383-L390 HydrophobicContact CG-CD1 3.66Å; F383-L390 HydrophobicContact CZ-CD1 3.91Å; F383-W410 HydrophobicContact CE1-CH2 4.15Å; F383-W430 VanDerWaalsContact C-CD1 3.46Å; F383-W430 PolarHBondContact O-NE1 2.89Å
384S90.6Very high87Confident0 Ų024 Ų240%014%0.138CC..  trans-77.4149.5169.362.90000111.3P340 S386 G387 K389 D434P340-S384 WeakPolarHBondContact CD-O 3.3Å; P340-S384 WeakPolarHBondContact CG-O 3.35Å; S384-S386 VanDerWaalsContact C-N 3.31Å; S384-S386 PolarHBondContact O-N 2.98Å; S384-S386 PolarHBondContact OG-O 2.81Å; S384-G387 PolarHBondContact OG-O 2.87Å; S384-K389 PolarHBondContact N-O 2.89Å; S384-K389 WeakPolarHBondContact OG-CA 3.26Å; S384-K389 WeakPolarHBondContact OG-CB 3.18Å; S384-K389 WeakPolarHBondContact OG-CG 3.29Å; S384-K389 PolarHBondContact OG-N 3.16Å; S384-K389 PolarHBondContact OG-O 3.34Å; S384-D434 WeakPolarHBondContact CA-OD1 3.41Å; S384-D434 WeakPolarHBondContact CB-OD1 3.23Å; S384-D434 WeakPolarHBondContact CB-OD2 3.14Å
385H85.7Confident86.9Confident77 Ų7724.1 Ų24.136%0.35614%0.14SC..SBendtrans-76-15.9-177.7-54.4-54.8000114.2P340 S431 D434 R910P340-H385 WeakPolarHBondContact CB-O 3.2Å; H385-S431 PolarHBondContact CD2-O 3.26Å; H385-D434 IonicContact CD2-OD1 3.77Å; H385-D434 PolarHBondContact N-OD1 2.66Å; H385-D434 PolarHBondContact N-OD2 2.97Å; H385-R910 PolarHBondContact O-NH1 3.06Å; H385-R910 VanDerWaalsContact O-NH1 3.17Å
386S81.4Confident86.6Confident61 Ų6119.3 Ų19.343%0.42712%0.119SC..SBendtrans-122.3115.3175.969.50000112.2S384 K389 D434S384-S386 VanDerWaalsContact C-N 3.31Å; S384-S386 PolarHBondContact O-N 2.98Å; S384-S386 PolarHBondContact OG-O 2.81Å; S386-K389 PolarHBondContact O-NZ 3Å; S386-K389 PolarHBondContact OG-NZ 2.76Å; S386-K389 VanDerWaalsContact OG-NZ 3.16Å; S386-D434 WeakPolarHBondContact CA-OD2 3.32Å; S386-D434 WeakPolarHBondContact CB-OD2 3.41Å; S386-D434 PolarHBondContact N-OD2 3.32Å; S386-D434 PolarHBondContact OG-OD2 3.5Å
387G75Confident85.5Confident47 Ų4719.3 Ų19.349%0.48513%0.129SC..SBendtrans64.9174.7-179.700000114.6S384 K389S384-G387 PolarHBondContact OG-O 2.87Å; G387-K389 PolarHBondContact O-N 3.21Å
388L83.2Confident84.5Confident9 Ų918.9 Ų18.95%0.04713%0.128CC..SBendtrans-83.676.2-172.4-69175.1000112.6L344 F405 W410 E914 F917 F918L344-L388 HydrophobicContact CD1-CD1 4.39Å; L344-L388 HydrophobicContact CD1-CD2 3.84Å; L388-F405 HydrophobicContact CB-CB 3.72Å; L388-F405 HydrophobicContact CD1-CD1 3.87Å; L388-F405 HydrophobicContact CD1-CG 4.49Å; L388-F405 PolarHBondContact O-N 2.88Å; L388-W410 HydrophobicContact CB-CH2 4.19Å; L388-E914 HydrophobicContact CD2-CG 4.09Å; L388-E914 HydrophobicContact CG-CG 4.4Å; L388-F917 HydrophobicContact CD1-CD1 4Å; L388-F918 HydrophobicContact CD1-CD2 3.97Å
389K88.7Confident83.8Confident14 Ų1419.7 Ų19.76%0.06113%0.134CC..EExtended strand (participates in β ladder)trans-112.6150.1163.1-25173.8-161.377.80109.8F383 S384 S386 G387 L402 W403 W430 D434F383-K389 WeakPolarHBondContact CA-O 3.12Å; S384-K389 PolarHBondContact N-O 2.89Å; S384-K389 WeakPolarHBondContact OG-CA 3.26Å; S384-K389 WeakPolarHBondContact OG-CB 3.18Å; S384-K389 WeakPolarHBondContact OG-CG 3.29Å; S384-K389 PolarHBondContact OG-N 3.16Å; S384-K389 PolarHBondContact OG-O 3.34Å; S386-K389 PolarHBondContact O-NZ 3Å; S386-K389 PolarHBondContact OG-NZ 2.76Å; S386-K389 VanDerWaalsContact OG-NZ 3.16Å; G387-K389 PolarHBondContact O-N 3.21Å; K389-L402 HydrophobicContact CB-CD1 4.35Å; K389-W403 CarbonylContact C-O 3.54Å; K389-W403 VanDerWaalsContact CA-O 3.22Å; K389-W403 WeakPolarHBondContact CA-O 3.49Å; K389-W403 WeakPolarHBondContact CB-O 3.36Å; K389-W430 HydrophobicContact CB-CH2 4.34Å; K389-W430 HydrophobicContact CB-CZ2 4.35Å; K389-W430 HydrophobicContact CD-CH2 4.13Å; K389-D434 IonicContact NZ-OD2 2.71Å; K389-D434 PolarHBondContact NZ-OD2 2.73Å
390L92Very high83.9Confident0 Ų017.3 Ų17.30%012%0.122CC..EExtended strand (participates in β ladder)trans-141.3133.7-177.4-176.973.5000109.5A346 L356 L371 V381 A382 F383 T392 W403 W410A346-L390 HydrophobicContact CB-CD1 4.02Å; A346-L390 HydrophobicContact CB-CD2 4.23Å; L356-L390 HydrophobicContact CD2-CD2 4.23Å; L371-L390 HydrophobicContact CD1-CD2 3.89Å; V381-L390 HydrophobicContact CG1-CD1 3.66Å; V381-L390 HydrophobicContact CG1-CD2 4.49Å; V381-L390 HydrophobicContact CG1-CG 4.31Å; A382-L390 CarbonylContact O-C 3.58Å; F383-L390 HydrophobicContact CB-CD1 4.44Å; F383-L390 HydrophobicContact CD1-CB 4.4Å; F383-L390 HydrophobicContact CD1-CD1 3.74Å; F383-L390 HydrophobicContact CD2-CD1 3.69Å; F383-L390 HydrophobicContact CE1-CD1 3.86Å; F383-L390 HydrophobicContact CE2-CD1 3.82Å; F383-L390 HydrophobicContact CG-CD1 3.66Å; F383-L390 HydrophobicContact CZ-CD1 3.91Å; L390-T392 HydrophobicContact CD2-CG2 3.99Å; L390-T392 HydrophobicContact CG-CG2 4.02Å; L390-W403 HydrophobicContact CB-CB 4.23Å; L390-W403 PolarHBondContact N-O 3.04Å; L390-W403 WeakPolarHBondContact O-CB 3.46Å; L390-W403 PolarHBondContact O-N 3.36Å; L390-W410 HydrophobicContact CB-CH2 4.29Å; L390-W410 HydrophobicContact CB-CZ3 3.86Å
391A91.7Very high83.9Confident0 Ų019.6 Ų19.60%013%0.129CC..EExtended strand (participates in β ladder)trans-107.8136.2173.700000109.8V381 A382 W401 L428 W430 L437V381-A391 CarbonylContact C-O 3.41Å; V381-A391 WeakPolarHBondContact CA-O 3.31Å; A382-A391 PolarHBondContact N-O 3.4Å; A382-A391 PolarHBondContact O-N 3.14Å; A391-W401 CarbonylContact C-O 3.38Å; A391-W401 WeakPolarHBondContact CA-O 3.38Å; A391-L428 HydrophobicContact CB-CD1 4.21Å; A391-W430 HydrophobicContact CB-CZ2 4.11Å; A391-L437 HydrophobicContact CB-CD1 3.69Å; A391-L437 HydrophobicContact CB-CD2 3.72Å; A391-L437 HydrophobicContact CB-CG 4.37Å
392T91.5Very high83.8Confident0 Ų019.8 Ų19.80%013%0.13CC..EExtended strand (participates in β ladder)trans-136.4135.1-177.969.40000111.3I354 H374 V381 L390 C400 W401 W403 L428I354-T392 HydrophobicContact CD1-CG2 3.85Å; I354-T392 HydrophobicContact CG1-CG2 3.84Å; H374-T392 PolarHBondContact NE2-O 2.87Å; V381-T392 HydrophobicContact CG1-CG2 4.42Å; V381-T392 HydrophobicContact CG2-CG2 4.23Å; L390-T392 HydrophobicContact CD2-CG2 3.99Å; L390-T392 HydrophobicContact CG-CG2 4.02Å; T392-C400 CarbonylContact O-C 3.59Å; T392-C400 WeakPolarHBondContact O-CA 3.3Å; T392-W401 PolarHBondContact N-O 3.49Å; T392-W401 PolarHBondContact O-N 2.95Å; T392-W403 PolarHBondContact OG1-NE1 2.88Å; T392-L428 VanDerWaalsContact C-CD1 3.41Å
393G88.7Confident83.7Confident0 Ų020.1 Ų20.10%013%0.13CC..EExtended strand (participates in β ladder)trans-129.7138.5-170.600000113.2N379 S380 L428N379-G393 PolarHBondContact N-O 2.81Å; S380-G393 PolarHBondContact N-O 3Å; S380-G393 PolarHBondContact O-N 3.38Å; G393-L428 VanDerWaalsContact N-CD1 3.35Å
394S87.1Confident83.5Confident0 Ų024.1 Ų24.10%015%0.147CC..EExtended strand (participates in β ladder)trans-129.3155.4-167.3158.70000114.5H374 S377 D396 S399 P425H374-S394 WeakPolarHBondContact CE1-CB 3.45Å; H374-S394 WeakPolarHBondContact ND1-CB 3.14Å; S377-S394 WeakPolarHBondContact O-CA 3.46Å; S394-D396 WeakPolarHBondContact CB-OD2 3.25Å; S394-D396 PolarHBondContact O-N 3.49Å; S394-D396 WeakPolarHBondContact OG-CB 3.2Å; S394-D396 PolarHBondContact OG-N 2.84Å; S394-D396 VanDerWaalsContact OG-N 3.1Å; S394-D396 PolarHBondContact OG-OD2 2.95Å; S394-S399 PolarHBondContact N-O 2.78Å; S394-P425 VanDerWaalsContact O-CD 3.31Å; S394-P425 WeakPolarHBondContact O-CD 3.21Å; S394-P425 WeakPolarHBondContact O-CG 3.48Å
395S80Confident83.2Confident15 Ų1524.6 Ų24.611%0.10515%0.15CC..THydrogen-bonded Turntrans-68.9-5.5173.2-75.20000115.1E376 S377 N379 G397 R424E376-S395 WeakPolarHBondContact OE2-CB 3.39Å; S377-S395 PolarHBondContact O-N 2.81Å; S377-S395 VanDerWaalsContact O-N 3.11Å; N379-S395 VanDerWaalsContact CG-OG 3.31Å; N379-S395 PolarHBondContact ND2-OG 2.76Å; N379-S395 PolarHBondContact OD1-OG 2.95Å; S395-G397 PolarHBondContact O-N 3.1Å; S395-R424 PolarHBondContact O-NE 2.56Å; S395-R424 PolarHBondContact O-NH2 2.84Å
396D74.6Confident83Confident45 Ų4524.2 Ų24.224%0.24115%0.148CC..THydrogen-bonded Turntrans-64.70.6-17157.634.5000117H374 E375 E376 S394 G398 S399H374-D396 IonicContact CE1-OD2 3.24Å; H374-D396 PolarHBondContact CE1-OD2 2.83Å; H374-D396 IonicContact ND1-OD2 3.25Å; E375-D396 HydrophobicContact CB-CB 4.29Å; E376-D396 HydrophobicContact CB-CB 4.07Å; E376-D396 HydrophobicContact CG-CB 4.09Å; S394-D396 WeakPolarHBondContact CB-OD2 3.25Å; S394-D396 PolarHBondContact O-N 3.49Å; S394-D396 WeakPolarHBondContact OG-CB 3.2Å; S394-D396 PolarHBondContact OG-N 2.84Å; S394-D396 VanDerWaalsContact OG-N 3.1Å; S394-D396 PolarHBondContact OG-OD2 2.95Å; D396-G398 PolarHBondContact OD1-N 3.19Å; D396-S399 VanDerWaalsContact CG-OG 3.28Å; D396-S399 VanDerWaalsContact OD1-CB 3.32Å; D396-S399 WeakPolarHBondContact OD1-CB 3.42Å; D396-S399 PolarHBondContact OD1-N 3.13Å; D396-S399 PolarHBondContact OD1-OG 3.43Å; D396-S399 WeakPolarHBondContact OD2-CB 3.28Å; D396-S399 PolarHBondContact OD2-OG 3.35Å
397G62.4Low82.8Confident37 Ų3725.7 Ų25.738%0.38116%0.164SC..SBendtrans111.23.817500000114.3S395 C423S395-G397 PolarHBondContact O-N 3.1Å; G397-C423 CarbonylContact C-O 3.57Å
398G63.8Low82.9Confident16 Ų1625.8 Ų25.817%0.16517%0.165CC..SBendtrans136.432.1168.400000114.5D396 F417 C423D396-G398 PolarHBondContact OD1-N 3.19Å; G398-F417 WeakPolarHBondContact O-CD2 3.38Å; G398-C423 WeakPolarHBondContact CA-O 3.14Å; G398-C423 PolarHBondContact N-O 2.92Å
399S74.3Confident82.7Confident18 Ų1832 Ų3213%0.12619%0.194CC..  trans-84.1127.8161.693.60000110.2H374 S394 D396 W401H374-S399 PolarHBondContact CE1-OG 2.92Å; H374-S399 PolarHBondContact ND1-OG 2.93Å; H374-S399 PolarHBondContact NE2-O 3.33Å; S394-S399 PolarHBondContact N-O 2.78Å; D396-S399 VanDerWaalsContact CG-OG 3.28Å; D396-S399 VanDerWaalsContact OD1-CB 3.32Å; D396-S399 WeakPolarHBondContact OD1-CB 3.42Å; D396-S399 PolarHBondContact OD1-N 3.13Å; D396-S399 PolarHBondContact OD1-OG 3.43Å; D396-S399 WeakPolarHBondContact OD2-CB 3.28Å; D396-S399 PolarHBondContact OD2-OG 3.35Å; S399-W401 PolarHBondContact OG-NE1 2.84Å
400C87Confident82.6Confident0 Ų033.3 Ų33.30%020%0.198CC..EExtended strand (participates in β ladder)trans-124.6143.5152.5-57.90000106.9T392 L415 F417 L428T392-C400 CarbonylContact O-C 3.59Å; T392-C400 WeakPolarHBondContact O-CA 3.3Å; C400-L415 HydrophobicContact CB-CB 4.4Å; C400-L415 HydrophobicContact CB-CD1 3.79Å; C400-L415 WeakPolarHBondContact O-CB 3.37Å; C400-L415 PolarHBondContact O-N 2.81Å; C400-F417 HydrophobicContact CB-CE2 3.72Å; C400-F417 HydrophobicContact CB-CZ 4.03Å; C400-F417 VanDerWaalsContact SG-CZ 3.55Å; C400-L428 HydrophobicContact CB-CD1 4.32Å; C400-L428 HydrophobicContact CB-CD2 4.41Å
401W88.3Confident82.2Confident53 Ų5340.4 Ų40.420%0.20123%0.225CC..EExtended strand (participates in β ladder)trans-119.4132.3-178.3-66.573000109A373 H374 A391 T392 S399 S412 M413 T414A373-W401 HydrophobicContact CB-CD2 3.8Å; A373-W401 HydrophobicContact CB-CE3 4.1Å; A373-W401 HydrophobicContact CB-CG 4.32Å; A373-W401 HydrophobicContact CB-CH2 4.06Å; A373-W401 HydrophobicContact CB-CZ2 3.78Å; A373-W401 HydrophobicContact CB-CZ3 4.22Å; A373-W401 WeakPolarHBondContact O-CZ2 3.09Å; A373-W401 PolarHBondContact O-NE1 3.3Å; H374-W401 AromaticContact CE1-CD1 3.57Å; H374-W401 AromaticContact CE1-NE1 3.57Å; H374-W401 AromaticContact ND1-CD1 3.6Å; H374-W401 AromaticContact ND1-NE1 3.83Å; H374-W401 AromaticContact NE2-CD1 3.16Å; A391-W401 CarbonylContact C-O 3.38Å; A391-W401 WeakPolarHBondContact CA-O 3.38Å; T392-W401 PolarHBondContact N-O 3.49Å; T392-W401 PolarHBondContact O-N 2.95Å; S399-W401 PolarHBondContact OG-NE1 2.84Å; W401-S412 WeakPolarHBondContact CZ3-OG 3.09Å; W401-M413 CarbonylContact C-O 3.41Å; W401-M413 WeakPolarHBondContact CA-O 3.43Å; W401-T414 WeakPolarHBondContact CZ3-OG1 3.46Å
402L90.7Very high81.9Confident12 Ų1243.2 Ų43.26%0.06325%0.245CC..EExtended strand (participates in β ladder)trans-93.9126165.5171.759.4000107.8K389 S412 M413 W430 G451K389-L402 HydrophobicContact CB-CD1 4.35Å; L402-S412 CarbonylContact O-C 3.54Å; L402-S412 WeakPolarHBondContact O-CA 3.12Å; L402-M413 HydrophobicContact CB-CB 4.48Å; L402-M413 PolarHBondContact N-O 2.94Å; L402-M413 PolarHBondContact O-N 2.98Å; L402-W430 HydrophobicContact CD1-CH2 3.49Å; L402-W430 VanDerWaalsContact CD1-CH2 3.49Å; L402-W430 HydrophobicContact CD1-CZ2 3.57Å; L402-G451 VanDerWaalsContact CD2-O 3.29Å; L402-G451 WeakPolarHBondContact CD2-O 3.5Å
403W90Very high81.6Confident13 Ų1347.6 Ų47.65%0.04927%0.266CS..EExtended strand (participates in β ladder)trans-111.1143.8176.1-52.778.7000109.7L371 A373 K389 L390 T392 W410 R411 S412L371-W403 HydrophobicContact CB-CH2 3.76Å; L371-W403 HydrophobicContact CB-CZ2 3.94Å; L371-W403 HydrophobicContact CB-CZ3 4.06Å; L371-W403 HydrophobicContact CD1-CD2 3.88Å; L371-W403 HydrophobicContact CD1-CE3 3.96Å; L371-W403 HydrophobicContact CD1-CG 4.28Å; L371-W403 HydrophobicContact CD1-CZ2 4.49Å; L371-W403 HydrophobicContact CD1-CZ3 4.32Å; L371-W403 HydrophobicContact CD2-CE3 4.11Å; L371-W403 HydrophobicContact CD2-CH2 4.5Å; L371-W403 HydrophobicContact CD2-CZ3 3.94Å; L371-W403 HydrophobicContact CG-CE3 4.43Å; L371-W403 HydrophobicContact CG-CZ3 4.33Å; A373-W403 HydrophobicContact CB-CH2 3.67Å; A373-W403 HydrophobicContact CB-CZ2 3.57Å; K389-W403 CarbonylContact C-O 3.54Å; K389-W403 VanDerWaalsContact CA-O 3.22Å; K389-W403 WeakPolarHBondContact CA-O 3.49Å; K389-W403 WeakPolarHBondContact CB-O 3.36Å; L390-W403 HydrophobicContact CB-CB 4.23Å; L390-W403 PolarHBondContact N-O 3.04Å; L390-W403 WeakPolarHBondContact O-CB 3.46Å; L390-W403 PolarHBondContact O-N 3.36Å; T392-W403 PolarHBondContact OG1-NE1 2.88Å; W403-W410 HydrophobicContact CB-CE3 3.87Å; W403-W410 HydrophobicContact CB-CZ3 4.33Å; W403-W410 HydrophobicContact CE3-CB 4.18Å; W403-R411 CarbonylContact C-O 3.57Å; W403-R411 WeakPolarHBondContact CA-O 3.34Å; W403-S412 VanDerWaalsContact CE3-CB 3.44Å
404K87.4Confident81.4Confident89 Ų8951.2 Ų51.239%0.38729%0.289SS..EExtended strand (participates in β ladder)trans-134.3123.8174.8-171.5178.7-177.4175.20108.8Q406 R411K404-Q406 HydrophobicContact CD-CG 4.08Å; K404-Q406 HydrophobicContact CG-CG 3.94Å; K404-Q406 PolarHBondContact O-N 2.68Å; K404-R411 PolarHBondContact N-O 3.41Å; K404-R411 PolarHBondContact O-N 3.41Å
405F84.9Confident81.2Confident11 Ų1151.5 Ų51.55%0.04829%0.29CS..EExtended strand (participates in β ladder)trans-74.8123.3173.1-162.8-119.2000109.1L388 G408 Q409 W410 F917 F918L388-F405 HydrophobicContact CB-CB 3.72Å; L388-F405 HydrophobicContact CD1-CD1 3.87Å; L388-F405 HydrophobicContact CD1-CG 4.49Å; L388-F405 PolarHBondContact O-N 2.88Å; F405-G408 WeakPolarHBondContact CE2-O 3.39Å; F405-G408 VanDerWaalsContact CZ-C 3.49Å; F405-Q409 WeakPolarHBondContact CA-O 3.42Å; F405-W410 HydrophobicContact CB-CD2 4.08Å; F405-W410 HydrophobicContact CB-CE3 3.99Å; F405-W410 HydrophobicContact CB-CH2 4.12Å; F405-W410 HydrophobicContact CB-CZ2 4.18Å; F405-W410 HydrophobicContact CB-CZ3 4.02Å; F405-W410 AromaticContact CD2-CD1 3.56Å; F405-W410 AromaticContact CD2-CD2 3.75Å; F405-W410 HydrophobicContact CD2-CD2 3.75Å; F405-W410 AromaticContact CD2-CE2 3.6Å; F405-W410 HydrophobicContact CD2-CE3 4.49Å; F405-W410 AromaticContact CD2-CG 3.74Å; F405-W410 HydrophobicContact CD2-CG 3.74Å; F405-W410 HydrophobicContact CD2-CZ2 4.26Å; F405-W410 AromaticContact CD2-NE1 3.44Å; F405-W410 AromaticContact CE2-CD1 3.82Å; F405-W410 HydrophobicContact CE2-CG 4.41Å; F405-W410 AromaticContact CE2-NE1 3.73Å; F405-W410 HydrophobicContact CG-CD2 4.33Å; F405-W410 HydrophobicContact CG-CZ2 4.36Å; F405-F917 HydrophobicContact CB-CE1 4.45Å; F405-F917 AromaticContact CD1-CD1 3.78Å; F405-F917 HydrophobicContact CD1-CD1 3.78Å; F405-F917 AromaticContact CD1-CE1 3.73Å; F405-F917 HydrophobicContact CD1-CE1 3.73Å; F405-F917 HydrophobicContact CE1-CD1 4.32Å; F405-F918 HydrophobicContact CD1-CD2 4.1Å; F405-F918 HydrophobicContact CD1-CE2 4.41Å; F405-F918 AromaticContact CE1-CD2 3.49Å; F405-F918 HydrophobicContact CE1-CD2 3.49Å; F405-F918 VanDerWaalsContact CE1-CD2 3.49Å; F405-F918 AromaticContact CE1-CE2 3.85Å; F405-F918 HydrophobicContact CE1-CE2 3.85Å; F405-F918 HydrophobicContact CE1-CG 4.23Å; F405-F918 HydrophobicContact CE2-CD2 4.46Å; F405-F918 AromaticContact CE2-CE2 3.96Å; F405-F918 HydrophobicContact CE2-CE2 3.96Å; F405-F918 AromaticContact CZ-CD2 3.69Å; F405-F918 HydrophobicContact CZ-CD2 3.69Å; F405-F918 AromaticContact CZ-CE2 3.58Å; F405-F918 HydrophobicContact CZ-CE2 3.58Å; F405-F918 HydrophobicContact CZ-CG 4.42Å; F405-F918 HydrophobicContact CZ-CZ 4.24Å
406Q80.6Confident80.8Confident68 Ų6854.3 Ų54.332%0.31831%0.308SS..EExtended strand (participates in β ladder)trans-146.2132.9178-59.4-165.6-67.400109.5K404 G408 Q409K404-Q406 HydrophobicContact CD-CG 4.08Å; K404-Q406 HydrophobicContact CG-CG 3.94Å; K404-Q406 PolarHBondContact O-N 2.68Å; Q406-G408 VanDerWaalsContact C-N 3.33Å; Q406-G408 PolarHBondContact O-N 2.83Å; Q406-Q409 PolarHBondContact N-O 3.49Å; Q406-Q409 PolarHBondContact O-N 2.91Å; Q406-Q409 VanDerWaalsContact O-O 3.1Å
407A77.9Confident80.6Confident93 Ų9353.4 Ų53.477%0.76930%0.302SS*.THydrogen-bonded Turntrans48.851.1177.800000113Q409A407-Q409 PolarHBondContact O-N 3.19Å
408G75.4Confident80.5Confident49 Ų4958.8 Ų58.851%0.50531%0.311SS..THydrogen-bonded Turntrans71.74.2179.500000116F405 Q406F405-G408 WeakPolarHBondContact CE2-O 3.39Å; F405-G408 VanDerWaalsContact CZ-C 3.49Å; Q406-G408 VanDerWaalsContact C-N 3.33Å; Q406-G408 PolarHBondContact O-N 2.83Å
409Q79.9Confident79.9Confident140 Ų14068.6 Ų68.665%0.65435%0.349SS*.EExtended strand (participates in β ladder)trans-131.9143.3-176-63.5-172.4-0.700113.7F405 Q406 A407 R411F405-Q409 WeakPolarHBondContact CA-O 3.42Å; Q406-Q409 PolarHBondContact N-O 3.49Å; Q406-Q409 PolarHBondContact O-N 2.91Å; Q406-Q409 VanDerWaalsContact O-O 3.1Å; A407-Q409 PolarHBondContact O-N 3.19Å; Q409-R411 PolarHBondContact O-N 2.87Å
410W85.7Confident78.8Confident41 Ų4176.4 Ų76.416%0.15538%0.375CS..EExtended strand (participates in β ladder)trans-81.3102173.1-72.197.7000111L344 L356 L371 F383 L388 L390 W403 F405L344-W410 HydrophobicContact CD1-CZ2 4.14Å; L356-W410 HydrophobicContact CD1-CD2 4.43Å; L356-W410 HydrophobicContact CD1-CZ2 3.99Å; L356-W410 VanDerWaalsContact CD1-NE1 3.26Å; L371-W410 HydrophobicContact CD1-CD2 4.48Å; L371-W410 HydrophobicContact CD1-CG 4.43Å; L371-W410 HydrophobicContact CD2-CB 3.62Å; L371-W410 HydrophobicContact CD2-CG 3.8Å; F383-W410 HydrophobicContact CE1-CH2 4.15Å; L388-W410 HydrophobicContact CB-CH2 4.19Å; L390-W410 HydrophobicContact CB-CH2 4.29Å; L390-W410 HydrophobicContact CB-CZ3 3.86Å; W403-W410 HydrophobicContact CB-CE3 3.87Å; W403-W410 HydrophobicContact CB-CZ3 4.33Å; W403-W410 HydrophobicContact CE3-CB 4.18Å; F405-W410 HydrophobicContact CB-CD2 4.08Å; F405-W410 HydrophobicContact CB-CE3 3.99Å; F405-W410 HydrophobicContact CB-CH2 4.12Å; F405-W410 HydrophobicContact CB-CZ2 4.18Å; F405-W410 HydrophobicContact CB-CZ3 4.02Å; F405-W410 AromaticContact CD2-CD1 3.56Å; F405-W410 AromaticContact CD2-CD2 3.75Å; F405-W410 HydrophobicContact CD2-CD2 3.75Å; F405-W410 AromaticContact CD2-CE2 3.6Å; F405-W410 HydrophobicContact CD2-CE3 4.49Å; F405-W410 AromaticContact CD2-CG 3.74Å; F405-W410 HydrophobicContact CD2-CG 3.74Å; F405-W410 HydrophobicContact CD2-CZ2 4.26Å; F405-W410 AromaticContact CD2-NE1 3.44Å; F405-W410 AromaticContact CE2-CD1 3.82Å; F405-W410 HydrophobicContact CE2-CG 4.41Å; F405-W410 AromaticContact CE2-NE1 3.73Å; F405-W410 HydrophobicContact CG-CD2 4.33Å; F405-W410 HydrophobicContact CG-CZ2 4.36Å
411R85Confident77.1Confident148 Ų14883.1 Ų83.156%0.55842%0.416SS*.EExtended strand (participates in β ladder)trans-84.1148.6171.9-67.2177171.5-175-7.4110.1W403 K404 Q409W403-R411 CarbonylContact C-O 3.57Å; W403-R411 WeakPolarHBondContact CA-O 3.34Å; K404-R411 PolarHBondContact N-O 3.41Å; K404-R411 PolarHBondContact O-N 3.41Å; Q409-R411 PolarHBondContact O-N 2.87Å
412S85.8Confident75.5Confident60 Ų6087.1 Ų87.142%0.4244%0.435SS..EExtended strand (participates in β ladder)trans-128.6150.8-173.873.50000113.9W401 L402 W403W401-S412 WeakPolarHBondContact CZ3-OG 3.09Å; L402-S412 CarbonylContact O-C 3.54Å; L402-S412 WeakPolarHBondContact O-CA 3.12Å; W403-S412 VanDerWaalsContact CE3-CB 3.44Å
413M84.5Confident74Confident91 Ų9187.1 Ų87.145%0.44844%0.436SS..EExtended strand (participates in β ladder)trans-141.1126.9-177.3-179.5-172.9-67.700109.2W401 L402W401-M413 CarbonylContact C-O 3.41Å; W401-M413 WeakPolarHBondContact CA-O 3.43Å; L402-M413 HydrophobicContact CB-CB 4.48Å; L402-M413 PolarHBondContact N-O 2.94Å; L402-M413 PolarHBondContact O-N 2.98Å
414T84.4Confident73.1Confident77 Ų7791.2 Ų91.247%0.47245%0.451SS..EExtended strand (participates in β ladder)trans-83.9129.7179.6-40.30000111.3W401W401-T414 WeakPolarHBondContact CZ3-OG1 3.46Å
415L83.5Confident72.6Confident6 Ų687.1 Ų87.13%0.03143%0.434CS..  trans-79134.9179.3-67.9161.7000111.4C400 F417 L437 Y449C400-L415 HydrophobicContact CB-CB 4.4Å; C400-L415 HydrophobicContact CB-CD1 3.79Å; C400-L415 WeakPolarHBondContact O-CB 3.37Å; C400-L415 PolarHBondContact O-N 2.81Å; L415-F417 HydrophobicContact CB-CE2 3.99Å; L415-F417 WeakPolarHBondContact O-CD2 3.42Å; L415-F417 PolarHBondContact O-N 2.79Å; L415-L437 HydrophobicContact CD1-CD2 3.53Å; L415-Y449 HydrophobicContact CB-CE1 4.48Å; L415-Y449 HydrophobicContact CD2-CD1 4.21Å; L415-Y449 HydrophobicContact CD2-CG 4.27Å
416P71.3Confident72.2Confident73 Ų7387.6 Ų87.647%0.47444%0.438SS..  trans-81.4104-173.830.2-33000112.3Y449 G454P416-Y449 HydrophobicContact CG-CE1 4.08Å; P416-Y449 WeakPolarHBondContact O-CE1 3.41Å; P416-Y449 PolarHBondContact O-OH 3.34Å; P416-G454 WeakPolarHBondContact CD-O 3.42Å
417F70.8Confident72.4Confident27 Ų2786.9 Ų86.912%0.11844%0.436CS..  trans-90.6146.8168.2-68.9-92.2000111.8G398 C400 L415 K419 A439 M441 Y447 Y449G398-F417 WeakPolarHBondContact O-CD2 3.38Å; C400-F417 HydrophobicContact CB-CE2 3.72Å; C400-F417 HydrophobicContact CB-CZ 4.03Å; C400-F417 VanDerWaalsContact SG-CZ 3.55Å; L415-F417 HydrophobicContact CB-CE2 3.99Å; L415-F417 WeakPolarHBondContact O-CD2 3.42Å; L415-F417 PolarHBondContact O-N 2.79Å; F417-K419 PolarHBondContact O-N 2.98Å; F417-A439 HydrophobicContact CE1-CB 4.4Å; F417-A439 HydrophobicContact CZ-CB 4.28Å; F417-M441 HydrophobicContact CD1-CE 3.82Å; F417-M441 HydrophobicContact CD1-SD 4.39Å; F417-M441 HydrophobicContact CE1-CE 3.76Å; F417-M441 HydrophobicContact CE1-SD 3.76Å; F417-Y447 HydrophobicContact CD1-CD1 4.1Å; F417-Y447 HydrophobicContact CD1-CE1 4.21Å; F417-Y447 HydrophobicContact CE1-CD1 4.29Å; F417-Y447 HydrophobicContact CE1-CG 4.37Å; F417-Y449 VanDerWaalsContact CD1-OH 3.32Å; F417-Y449 WeakPolarHBondContact CD1-OH 3.46Å; F417-Y449 HydrophobicContact CE1-CE2 4Å; F417-Y449 WeakPolarHBondContact CE1-OH 3.46Å; F417-Y449 AromaticContact CZ-CE2 3.88Å; F417-Y449 HydrophobicContact CZ-CE2 3.88Å
418R59.6Low73Confident150 Ų15082.8 Ų82.857%0.56640%0.401SS*.  trans-63.5120.2171.3-77.3-179.2170.7165.7-0.8108.9R420R418-R420 PolarHBondContact O-N 2.83Å
419K50.5Low73.7Confident221 Ų22181.9 Ų81.996%0.96139%0.386SS*.  trans-64.673.4179.3-68-177.5177.7177.80112.8F417F417-K419 PolarHBondContact O-N 2.98Å
420R52.3Low74.2Confident182 Ų18275.4 Ų75.469%0.68736%0.356SS*.  trans-115.5127.2165.5-77.1-177.1171.4174.8-3108R418 K422 C423R418-R420 PolarHBondContact O-N 2.83Å; R420-K422 PolarHBondContact O-N 3.37Å; R420-C423 PolarHBondContact O-N 3.13Å; R420-C423 PolarHBondContact O-SG 2.81Å; R420-C423 VanDerWaalsContact O-SG 3.32Å
421V50.2Low74.4Confident142 Ų14273.5 Ų73.586%0.86135%0.349SS*.THydrogen-bonded Turntrans-60.8128.2-177.7-169.90000109.5
422K54.8Low74.3Confident137 Ų13769.3 Ų69.360%0.59634%0.337SS*.THydrogen-bonded Turntrans89.717.7-176.7-47.9167.7-173.51690118.2R420 R424R420-K422 PolarHBondContact O-N 3.37Å; K422-R424 VanDerWaalsContact C-N 3.33Å; K422-R424 PolarHBondContact O-N 2.9Å
423C59.6Low74.2Confident11 Ų1172.6 Ų72.67%0.07435%0.345CS..  trans-7781.8167.4-61.20000110.6G397 G398 R420 M441G397-C423 CarbonylContact C-O 3.57Å; G398-C423 WeakPolarHBondContact CA-O 3.14Å; G398-C423 PolarHBondContact N-O 2.92Å; R420-C423 PolarHBondContact O-N 3.13Å; R420-C423 PolarHBondContact O-SG 2.81Å; R420-C423 VanDerWaalsContact O-SG 3.32Å; C423-M441 HydrophobicContact CB-CE 3.77Å; C423-M441 WeakPolarHBondContact O-CE 3.28Å
424R72.1Confident74.4Confident100 Ų10068.3 Ų68.338%0.37732%0.324SS..  trans-91.4129.5173.9-78-178.4169.3178-11.9111E376 S395 K422 M441 K442E376-R424 IonicContact OE1-NH2 2.73Å; E376-R424 PolarHBondContact OE1-NH2 3.37Å; E376-R424 IonicContact OE2-NH2 3.52Å; E376-R424 PolarHBondContact OE2-NH2 2.83Å; S395-R424 PolarHBondContact O-NE 2.56Å; S395-R424 PolarHBondContact O-NH2 2.84Å; K422-R424 VanDerWaalsContact C-N 3.33Å; K422-R424 PolarHBondContact O-N 2.9Å; R424-M441 WeakPolarHBondContact O-CA 3.4Å; R424-K442 HydrophobicContact CB-CB 4.36Å; R424-K442 PolarHBondContact O-N 2.85Å
425P75.9Confident74.5Confident2 Ų268.6 Ų68.61%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-65.4148.4166.631.4-36.5000110.5S394 S440 M441S394-P425 VanDerWaalsContact O-CD 3.31Å; S394-P425 WeakPolarHBondContact O-CD 3.21Å; S394-P425 WeakPolarHBondContact O-CG 3.48Å; P425-S440 CarbonylContact C-O 3.17Å; P425-S440 VanDerWaalsContact CA-O 3.31Å; P425-S440 WeakPolarHBondContact CA-O 3.37Å; P425-M441 HydrophobicContact CB-SD 4.18Å
426C76.4Confident74.8Confident21 Ų2168.6 Ų68.614%0.14232%0.32CS..EExtended strand (participates in β ladder)trans-110.2-51.4171.6-79.10000110.2S440 I467C426-S440 WeakPolarHBondContact CB-OG 3.44Å; C426-S440 PolarHBondContact N-O 2.6Å; C426-I467 WeakPolarHBondContact CB-O 3.49Å
427L84.1Confident75.8Confident54 Ų5465.2 Ų65.228%0.28330%0.297SS..EExtended strand (participates in β ladder)trans-134.7148.7179.4-152.676.7000111.1V429 A439 S440 V470L427-V429 HydrophobicContact CD2-CG2 3.75Å; L427-V429 HydrophobicContact CG-CG2 4.21Å; L427-A439 WeakPolarHBondContact O-CA 3.36Å; L427-S440 WeakPolarHBondContact CB-OG 3.28Å; L427-S440 PolarHBondContact N-OG 3.31Å; L427-S440 PolarHBondContact O-N 3.21Å; L427-V470 HydrophobicContact CD2-CB 4.19Å
428L90.5Very high76.8Confident6 Ų664 Ų643%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-119.6134.8169.2-71.7168.4000109.1S380 A382 A391 T392 G393 C400 L437 I438 A439S380-L428 PolarHBondContact OG-N 3.05Å; A382-L428 HydrophobicContact CB-CB 4.31Å; A382-L428 WeakPolarHBondContact CB-O 3.38Å; A391-L428 HydrophobicContact CB-CD1 4.21Å; T392-L428 VanDerWaalsContact C-CD1 3.41Å; G393-L428 VanDerWaalsContact N-CD1 3.35Å; C400-L428 HydrophobicContact CB-CD1 4.32Å; C400-L428 HydrophobicContact CB-CD2 4.41Å; L428-L437 HydrophobicContact CD2-CD1 4.38Å; L428-I438 CarbonylContact C-O 3.52Å; L428-I438 WeakPolarHBondContact CA-O 3.23Å; L428-A439 HydrophobicContact CD2-CB 3.62Å
429V90.5Very high78.2Confident31 Ų3156.9 Ų56.919%0.18827%0.266CS..EExtended strand (participates in β ladder)trans-145.1142.6176.9-161.20000110.3L427 I438 V470 P472L427-V429 HydrophobicContact CD2-CG2 3.75Å; L427-V429 HydrophobicContact CG-CG2 4.21Å; V429-I438 PolarHBondContact N-O 3.35Å; V429-I438 WeakPolarHBondContact O-CB 3.38Å; V429-I438 PolarHBondContact O-N 3.46Å; V429-V470 HydrophobicContact CG2-CB 4.28Å; V429-V470 HydrophobicContact CG2-CG1 4.41Å; V429-P472 HydrophobicContact CG1-CG 3.97Å
430W91.3Very high80Confident3 Ų346.4 Ų46.41%0.01122%0.22CC..EExtended strand (participates in β ladder)trans-89.3151.3174.7-6987.5000111.7A382 F383 K389 A391 L402 D434 L437 P472A382-W430 PolarHBondContact O-NE1 2.85Å; F383-W430 VanDerWaalsContact C-CD1 3.46Å; F383-W430 PolarHBondContact O-NE1 2.89Å; K389-W430 HydrophobicContact CB-CH2 4.34Å; K389-W430 HydrophobicContact CB-CZ2 4.35Å; K389-W430 HydrophobicContact CD-CH2 4.13Å; A391-W430 HydrophobicContact CB-CZ2 4.11Å; L402-W430 HydrophobicContact CD1-CH2 3.49Å; L402-W430 VanDerWaalsContact CD1-CH2 3.49Å; L402-W430 HydrophobicContact CD1-CZ2 3.57Å; W430-D434 HydrophobicContact CE3-CB 3.9Å; W430-D434 HydrophobicContact CZ3-CB 4.06Å; W430-L437 HydrophobicContact CD2-CD1 4.1Å; W430-L437 HydrophobicContact CE3-CB 4.39Å; W430-L437 HydrophobicContact CG-CD1 4.27Å; W430-L437 HydrophobicContact CZ2-CD1 4.46Å; W430-L437 HydrophobicContact CZ2-CD2 4.48Å; W430-L437 HydrophobicContact CZ3-CB 4.49Å; W430-P472 WeakPolarHBondContact O-CG 3.44Å
431S89.1Confident81.6Confident1 Ų137.7 Ų37.71%0.00719%0.187CC..  trans-79.5155.5164.863.40000111.1H385 H433 D434 Q435 Y436 E477H385-S431 PolarHBondContact CD2-O 3.26Å; S431-H433 PolarHBondContact O-N 3Å; S431-D434 WeakPolarHBondContact O-CA 3.33Å; S431-D434 PolarHBondContact O-N 3.27Å; S431-Q435 PolarHBondContact OG-N 2.97Å; S431-Y436 PolarHBondContact N-O 2.85Å; S431-Y436 PolarHBondContact OG-N 3.38Å; S431-Y436 PolarHBondContact OG-O 3.47Å; S431-E477 VanDerWaalsContact CB-OE1 3.26Å; S431-E477 WeakPolarHBondContact CB-OE1 3.48Å; S431-E477 PolarHBondContact OG-OE1 3.29Å
432I83.4Confident83.3Confident60 Ų6037 Ų3731%0.30817%0.173SC..THydrogen-bonded Turntrans-55.4-26.8-170.2-173.2164.2000115.6P474 E477I432-P474 HydrophobicContact CD1-CB 4.49Å; I432-P474 WeakPolarHBondContact CD1-O 3.38Å; I432-E477 HydrophobicContact CG2-CB 4.3Å
433H83.8Confident84.6Confident129 Ų12934.3 Ų34.360%0.59717%0.165SC*.THydrogen-bonded Turntrans-105.216.2176.6-52.3-45.8000113.5S431 Q435 E477S431-H433 PolarHBondContact O-N 3Å; H433-Q435 PolarHBondContact O-N 2.81Å; H433-E477 WeakPolarHBondContact CB-OE1 3.13Å; H433-E477 IonicContact CD2-OE2 3.23Å; H433-E477 PolarHBondContact N-OE1 2.96Å
434D88.3Confident85.7Confident1 Ų134 Ų341%0.00516%0.163CC..SBendtrans52.814-173.1-59.4-33.8000115.4S384 H385 S386 K389 W430 S431 Y436 G451S384-D434 WeakPolarHBondContact CA-OD1 3.41Å; S384-D434 WeakPolarHBondContact CB-OD1 3.23Å; S384-D434 WeakPolarHBondContact CB-OD2 3.14Å; H385-D434 IonicContact CD2-OD1 3.77Å; H385-D434 PolarHBondContact N-OD1 2.66Å; H385-D434 PolarHBondContact N-OD2 2.97Å; S386-D434 WeakPolarHBondContact CA-OD2 3.32Å; S386-D434 WeakPolarHBondContact CB-OD2 3.41Å; S386-D434 PolarHBondContact N-OD2 3.32Å; S386-D434 PolarHBondContact OG-OD2 3.5Å; K389-D434 IonicContact NZ-OD2 2.71Å; K389-D434 PolarHBondContact NZ-OD2 2.73Å; W430-D434 HydrophobicContact CE3-CB 3.9Å; W430-D434 HydrophobicContact CZ3-CB 4.06Å; S431-D434 WeakPolarHBondContact O-CA 3.33Å; S431-D434 PolarHBondContact O-N 3.27Å; D434-Y436 PolarHBondContact O-N 3.41Å; D434-G451 WeakPolarHBondContact O-CA 3.43Å
435Q87Confident86.4Confident83 Ų8329.3 Ų29.339%0.38815%0.146SC..SBendtrans-65.9-28.6178.6-166.5171.389.200110.7S431 H433 F450 G451 E477S431-Q435 PolarHBondContact OG-N 2.97Å; H433-Q435 PolarHBondContact O-N 2.81Å; Q435-F450 WeakPolarHBondContact O-CA 3.45Å; Q435-G451 PolarHBondContact O-N 2.8Å; Q435-E477 WeakPolarHBondContact CB-OE1 3.34Å; Q435-E477 VanDerWaalsContact CB-OE2 3.3Å; Q435-E477 WeakPolarHBondContact CB-OE2 3.39Å; Q435-E477 PolarHBondContact N-OE1 2.79Å
436Y90Very high87Confident6 Ų629.3 Ų29.32%0.02415%0.146CC..EExtended strand (participates in β ladder)trans-126.8142.8179.7-53.4-71000113.7S431 D434 I448 Y449 F450 V457 E477 R498S431-Y436 PolarHBondContact N-O 2.85Å; S431-Y436 PolarHBondContact OG-N 3.38Å; S431-Y436 PolarHBondContact OG-O 3.47Å; D434-Y436 PolarHBondContact O-N 3.41Å; Y436-I448 HydrophobicContact CD1-CG2 3.66Å; Y436-I448 HydrophobicContact CG-CG2 3.98Å; Y436-Y449 CarbonylContact C-O 3.59Å; Y436-Y449 WeakPolarHBondContact CA-O 3.36Å; Y436-F450 HydrophobicContact CD1-CD1 4.38Å; Y436-F450 AromaticContact CE1-CD1 3.89Å; Y436-F450 HydrophobicContact CE1-CD1 3.89Å; Y436-F450 AromaticContact CE1-CE1 3.83Å; Y436-F450 HydrophobicContact CE1-CE1 3.83Å; Y436-V457 HydrophobicContact CD1-CG2 4.03Å; Y436-V457 HydrophobicContact CE1-CG1 4.15Å; Y436-V457 HydrophobicContact CE1-CG2 3.98Å; Y436-E477 HydrophobicContact CD2-CG 3.72Å; Y436-E477 HydrophobicContact CE2-CG 3.8Å; Y436-R498 VanDerWaalsContact CZ-NH2 3.3Å; Y436-R498 PolarHBondContact OH-NH1 3.05Å; Y436-R498 PolarHBondContact OH-NH2 2.92Å
437L91.7Very high87.7Confident2 Ų228.8 Ų28.81%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-113.2125.5163.6174.461.2000108.4A391 L415 L428 W430 Y449A391-L437 HydrophobicContact CB-CD1 3.69Å; A391-L437 HydrophobicContact CB-CD2 3.72Å; A391-L437 HydrophobicContact CB-CG 4.37Å; L415-L437 HydrophobicContact CD1-CD2 3.53Å; L428-L437 HydrophobicContact CD2-CD1 4.38Å; W430-L437 HydrophobicContact CD2-CD1 4.1Å; W430-L437 HydrophobicContact CE3-CB 4.39Å; W430-L437 HydrophobicContact CG-CD1 4.27Å; W430-L437 HydrophobicContact CZ2-CD1 4.46Å; W430-L437 HydrophobicContact CZ2-CD2 4.48Å; W430-L437 HydrophobicContact CZ3-CB 4.49Å; L437-Y449 PolarHBondContact N-O 2.83Å; L437-Y449 PolarHBondContact O-N 2.87Å
438I91.5Very high88Confident1 Ų126.2 Ų26.21%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-112.1124.7-169.5-53.5-178.5000108.3L428 V429 V446 Y447 I448 V470 P472 L480 I494L428-I438 CarbonylContact C-O 3.52Å; L428-I438 WeakPolarHBondContact CA-O 3.23Å; V429-I438 PolarHBondContact N-O 3.35Å; V429-I438 WeakPolarHBondContact O-CB 3.38Å; V429-I438 PolarHBondContact O-N 3.46Å; I438-V446 HydrophobicContact CG2-CG1 3.35Å; I438-Y447 WeakPolarHBondContact CA-O 3.49Å; I438-I448 HydrophobicContact CG1-CG1 4.39Å; I438-I448 HydrophobicContact CG2-CG1 4.37Å; I438-V470 HydrophobicContact CG2-CG1 4.15Å; I438-P472 HydrophobicContact CD1-CB 4.45Å; I438-L480 HydrophobicContact CD1-CD1 3.58Å; I438-L480 HydrophobicContact CD1-CD2 4.18Å; I438-L480 HydrophobicContact CD1-CG 4.46Å; I438-L480 HydrophobicContact CG2-CD1 4.4Å; I438-L480 HydrophobicContact CG2-CD2 4.03Å; I438-I494 HydrophobicContact CD1-CD1 4.47Å
439A89.5Confident88Confident1 Ų126 Ų261%0.00813%0.126CC..EExtended strand (participates in β ladder)trans-119.2113.2-178.600000110.7F417 L427 L428 M441 V446 Y447F417-A439 HydrophobicContact CE1-CB 4.4Å; F417-A439 HydrophobicContact CZ-CB 4.28Å; L427-A439 WeakPolarHBondContact O-CA 3.36Å; L428-A439 HydrophobicContact CD2-CB 3.62Å; A439-M441 HydrophobicContact CB-SD 4.42Å; A439-V446 CarbonylContact O-C 3.38Å; A439-V446 WeakPolarHBondContact O-CA 3.25Å; A439-Y447 PolarHBondContact N-O 3.2Å; A439-Y447 PolarHBondContact O-N 2.92Å
440S88.7Confident87.8Confident1 Ų128.3 Ų28.31%0.00713%0.134CC..EExtended strand (participates in β ladder)trans-78.9144.7172.290.60000110.1P425 C426 L427 I467P425-S440 CarbonylContact C-O 3.17Å; P425-S440 VanDerWaalsContact CA-O 3.31Å; P425-S440 WeakPolarHBondContact CA-O 3.37Å; C426-S440 WeakPolarHBondContact CB-OG 3.44Å; C426-S440 PolarHBondContact N-O 2.6Å; L427-S440 WeakPolarHBondContact CB-OG 3.28Å; L427-S440 PolarHBondContact N-OG 3.31Å; L427-S440 PolarHBondContact O-N 3.21Å; S440-I467 WeakPolarHBondContact CB-O 3.41Å; S440-I467 PolarHBondContact OG-O 2.97Å
441M86.4Confident87.4Confident0 Ų028.3 Ų28.30%014%0.135CC..EExtended strand (participates in β ladder)trans-127145.8-173.3-51.7-62.8-72.500112.3F417 C423 R424 P425 A439 N443 G444 S445 Y447F417-M441 HydrophobicContact CD1-CE 3.82Å; F417-M441 HydrophobicContact CD1-SD 4.39Å; F417-M441 HydrophobicContact CE1-CE 3.76Å; F417-M441 HydrophobicContact CE1-SD 3.76Å; C423-M441 HydrophobicContact CB-CE 3.77Å; C423-M441 WeakPolarHBondContact O-CE 3.28Å; R424-M441 WeakPolarHBondContact O-CA 3.4Å; P425-M441 HydrophobicContact CB-SD 4.18Å; A439-M441 HydrophobicContact CB-SD 4.42Å; M441-N443 WeakPolarHBondContact CB-OD1 3.2Å; M441-N443 PolarHBondContact O-N 3.24Å; M441-G444 PolarHBondContact O-N 2.85Å; M441-S445 WeakPolarHBondContact CB-O 3.4Å; M441-S445 PolarHBondContact N-O 2.85Å; M441-Y447 HydrophobicContact CG-CD2 3.62Å; M441-Y447 HydrophobicContact CG-CE2 3.95Å; M441-Y447 HydrophobicContact SD-CD2 4.42Å
442K84.5Confident87.1Confident127 Ų12734.3 Ų34.355%0.55216%0.162SC*.THydrogen-bonded Turntrans-630.2178.6-170.6138.9-172.41470114.9R424 A466R424-K442 HydrophobicContact CB-CB 4.36Å; R424-K442 PolarHBondContact O-N 2.85Å; K442-A466 HydrophobicContact CB-CB 4.47Å; K442-A466 HydrophobicContact CG-CB 4.06Å
443N81.8Confident87Confident80 Ų8034.1 Ų34.143%0.42817%0.166SC..THydrogen-bonded Turntrans-108.68.6179.478-81.7000114.8M441 S445M441-N443 WeakPolarHBondContact CB-OD1 3.2Å; M441-N443 PolarHBondContact O-N 3.24Å; N443-S445 PolarHBondContact ND2-OG 2.8Å
444G82.5Confident86.9Confident4 Ų428.1 Ų28.14%0.04114%0.14CC..SBendtrans84.613-179.700000115.2M441 G465M441-G444 PolarHBondContact O-N 2.85Å; G444-G465 WeakPolarHBondContact CA-O 3.38Å; G444-G465 PolarHBondContact N-O 2.8Å; G444-G465 VanDerWaalsContact N-O 3.1Å
445S87.9Confident86.7Confident2 Ų233.8 Ų33.81%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-103.5150172.6-58.70000111.5M441 N443 I460M441-S445 WeakPolarHBondContact CB-O 3.4Å; M441-S445 PolarHBondContact N-O 2.85Å; N443-S445 PolarHBondContact ND2-OG 2.8Å; S445-I460 CarbonylContact C-O 3.54Å; S445-I460 VanDerWaalsContact CA-O 3.22Å; S445-I460 WeakPolarHBondContact CA-O 3.29Å
446V89Confident86.7Confident2 Ų232.8 Ų32.81%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-116128.3161.6-174.30000108.4I438 A439 I459 I460 I467 L480 T482I438-V446 HydrophobicContact CG2-CG1 3.35Å; A439-V446 CarbonylContact O-C 3.38Å; A439-V446 WeakPolarHBondContact O-CA 3.25Å; V446-I459 CarbonylContact O-C 3.55Å; V446-I459 WeakPolarHBondContact O-CA 3.43Å; V446-I460 HydrophobicContact CB-CB 4.24Å; V446-I460 PolarHBondContact N-O 2.97Å; V446-I460 PolarHBondContact O-N 3.14Å; V446-I467 HydrophobicContact CG2-CD1 3.51Å; V446-I467 HydrophobicContact CG2-CG2 4.47Å; V446-L480 HydrophobicContact CG1-CD2 4.37Å; V446-T482 HydrophobicContact CG2-CG2 4.14Å
447Y90.2Very high86.5Confident11 Ų1133.9 Ų33.94%0.04317%0.168CC..EExtended strand (participates in β ladder)trans-99.5138.2176.2-78.1-123.9000108.8F417 I438 A439 M441 Y449 L456 I459F417-Y447 HydrophobicContact CD1-CD1 4.1Å; F417-Y447 HydrophobicContact CD1-CE1 4.21Å; F417-Y447 HydrophobicContact CE1-CD1 4.29Å; F417-Y447 HydrophobicContact CE1-CG 4.37Å; I438-Y447 WeakPolarHBondContact CA-O 3.49Å; A439-Y447 PolarHBondContact N-O 3.2Å; A439-Y447 PolarHBondContact O-N 2.92Å; M441-Y447 HydrophobicContact CG-CD2 3.62Å; M441-Y447 HydrophobicContact CG-CE2 3.95Å; M441-Y447 HydrophobicContact SD-CD2 4.42Å; Y447-Y449 HydrophobicContact CD1-CE2 4.33Å; Y447-Y449 HydrophobicContact CG-CE2 4.49Å; Y447-L456 HydrophobicContact CD1-CD1 3.82Å; Y447-I459 HydrophobicContact CD1-CD1 4.11Å; Y447-I459 HydrophobicContact CD1-CG1 3.94Å; Y447-I459 HydrophobicContact CD2-CG1 4.37Å; Y447-I459 HydrophobicContact CD2-CG2 4.05Å; Y447-I459 HydrophobicContact CE1-CD1 3.59Å; Y447-I459 HydrophobicContact CE1-CG1 3.95Å; Y447-I459 HydrophobicContact CE2-CD1 4.27Å; Y447-I459 HydrophobicContact CE2-CG1 4.37Å; Y447-I459 HydrophobicContact CE2-CG2 3.93Å; Y447-I459 HydrophobicContact CG-CG1 4.15Å
448I90.5Very high86.2Confident0 Ų034 Ų340%017%0.169CC..EExtended strand (participates in β ladder)trans-121.5124.1177.6-59.4-175.9000108.3Y436 I438 L456 V457 T458 I460 L480 I494Y436-I448 HydrophobicContact CD1-CG2 3.66Å; Y436-I448 HydrophobicContact CG-CG2 3.98Å; I438-I448 HydrophobicContact CG1-CG1 4.39Å; I438-I448 HydrophobicContact CG2-CG1 4.37Å; I448-L456 WeakPolarHBondContact O-CD1 3.34Å; I448-V457 HydrophobicContact CG2-CB 4.2Å; I448-V457 WeakPolarHBondContact O-CA 3.14Å; I448-V457 VanDerWaalsContact O-CB 3.29Å; I448-V457 WeakPolarHBondContact O-CB 3.46Å; I448-V457 PolarHBondContact O-N 2.97Å; I448-T458 HydrophobicContact CB-CG2 3.87Å; I448-T458 HydrophobicContact CD1-CG2 3.96Å; I448-T458 HydrophobicContact CG1-CG2 4.2Å; I448-T458 PolarHBondContact N-O 2.91Å; I448-T458 PolarHBondContact O-N 2.8Å; I448-I460 HydrophobicContact CD1-CD1 3.85Å; I448-I460 HydrophobicContact CD1-CG1 4.36Å; I448-L480 HydrophobicContact CD1-CD2 4.46Å; I448-I494 HydrophobicContact CD1-CD1 3.83Å; I448-I494 HydrophobicContact CD1-CG1 3.76Å; I448-I494 HydrophobicContact CD1-CG2 3.92Å
449Y90.4Very high86Confident1 Ų134.9 Ų34.90%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-114156.4-179.9-67.1-87.1000110.4L415 P416 F417 Y436 L437 Y447 G454 L456L415-Y449 HydrophobicContact CB-CE1 4.48Å; L415-Y449 HydrophobicContact CD2-CD1 4.21Å; L415-Y449 HydrophobicContact CD2-CG 4.27Å; P416-Y449 HydrophobicContact CG-CE1 4.08Å; P416-Y449 WeakPolarHBondContact O-CE1 3.41Å; P416-Y449 PolarHBondContact O-OH 3.34Å; F417-Y449 VanDerWaalsContact CD1-OH 3.32Å; F417-Y449 WeakPolarHBondContact CD1-OH 3.46Å; F417-Y449 HydrophobicContact CE1-CE2 4Å; F417-Y449 WeakPolarHBondContact CE1-OH 3.46Å; F417-Y449 AromaticContact CZ-CE2 3.88Å; F417-Y449 HydrophobicContact CZ-CE2 3.88Å; Y436-Y449 CarbonylContact C-O 3.59Å; Y436-Y449 WeakPolarHBondContact CA-O 3.36Å; L437-Y449 PolarHBondContact N-O 2.83Å; L437-Y449 PolarHBondContact O-N 2.87Å; Y447-Y449 HydrophobicContact CD1-CE2 4.33Å; Y447-Y449 HydrophobicContact CG-CE2 4.49Å; Y449-G454 WeakPolarHBondContact CD1-O 3.44Å; Y449-L456 HydrophobicContact CD1-CB 4.01Å; Y449-L456 HydrophobicContact CD1-CD1 3.92Å; Y449-L456 HydrophobicContact CD2-CD1 4.41Å; Y449-L456 HydrophobicContact CE1-CB 3.85Å; Y449-L456 HydrophobicContact CE1-CD1 3.58Å; Y449-L456 HydrophobicContact CE1-CG 4.3Å; Y449-L456 HydrophobicContact CE2-CD1 4.09Å; Y449-L456 HydrophobicContact CG-CD1 4.33Å
450F87.5Confident85.8Confident80 Ų8035 Ų3535%0.35117%0.174SC..EExtended strand (participates in β ladder)trans-74.8123.5167.3-76.1-63.1000109.9Q435 Y436 H452 S453 G454 K455 V457Q435-F450 WeakPolarHBondContact O-CA 3.45Å; Y436-F450 HydrophobicContact CD1-CD1 4.38Å; Y436-F450 AromaticContact CE1-CD1 3.89Å; Y436-F450 HydrophobicContact CE1-CD1 3.89Å; Y436-F450 AromaticContact CE1-CE1 3.83Å; Y436-F450 HydrophobicContact CE1-CE1 3.83Å; F450-H452 VanDerWaalsContact C-N 3.28Å; F450-H452 PolarHBondContact O-N 3.37Å; F450-S453 WeakPolarHBondContact CB-OG 3.46Å; F450-S453 PolarHBondContact O-N 3.02Å; F450-G454 WeakPolarHBondContact O-CA 3.09Å; F450-G454 PolarHBondContact O-N 3.18Å; F450-K455 HydrophobicContact CD2-CB 4.27Å; F450-K455 PolarHBondContact N-O 3.14Å; F450-V457 HydrophobicContact CB-CG2 4.34Å; F450-V457 HydrophobicContact CD1-CG2 3.76Å; F450-V457 HydrophobicContact CD2-CG2 3.51Å; F450-V457 HydrophobicContact CE1-CG2 3.89Å; F450-V457 HydrophobicContact CE2-CG2 3.67Å; F450-V457 HydrophobicContact CG-CG2 3.57Å; F450-V457 HydrophobicContact CZ-CG2 3.86Å
451G82.7Confident85.5Confident2 Ų241.5 Ų41.52%0.02120%0.204CC..THydrogen-bonded Turntrans-64.4-27.8-173.500000114.8L402 D434 Q435L402-G451 VanDerWaalsContact CD2-O 3.29Å; L402-G451 WeakPolarHBondContact CD2-O 3.5Å; D434-G451 WeakPolarHBondContact O-CA 3.43Å; Q435-G451 PolarHBondContact O-N 2.8Å
452H81.8Confident84.9Confident128 Ų12843.1 Ų43.159%0.59322%0.222SC*.THydrogen-bonded Turntrans-84.8-26.4178.5-99.2108.7000115.3F450F450-H452 VanDerWaalsContact C-N 3.28Å; F450-H452 PolarHBondContact O-N 3.37Å
453S82.2Confident84.8Confident55 Ų5537.8 Ų37.839%0.38520%0.199SC..THydrogen-bonded Turntrans-125.4-7.6-169.566.10000115F450 K455F450-S453 WeakPolarHBondContact CB-OG 3.46Å; F450-S453 PolarHBondContact O-N 3.02Å; S453-K455 PolarHBondContact O-N 3.01Å
454G81.1Confident84.6Confident4 Ų440.7 Ų40.74%0.04121%0.21CC..  trans63.63-175.600000115.1P416 Y449 F450P416-G454 WeakPolarHBondContact CD-O 3.42Å; Y449-G454 WeakPolarHBondContact CD1-O 3.44Å; F450-G454 WeakPolarHBondContact O-CA 3.09Å; F450-G454 PolarHBondContact O-N 3.18Å
455K83.9Confident84.6Confident119 Ų11941.5 Ų41.552%0.51722%0.217SC..  trans-69.6134.2176.7-68.5-172.4176.9-175.20109.2F450 S453 D2326F450-K455 HydrophobicContact CD2-CB 4.27Å; F450-K455 PolarHBondContact N-O 3.14Å; S453-K455 PolarHBondContact O-N 3.01Å; K455-D2326 PolarHBondContact NZ-OXT 2.66Å; K455-D2326 VanDerWaalsContact NZ-OXT 3.13Å
456L87.3Confident84.5Confident63 Ų6341.8 Ų41.833%0.3322%0.22SC..EExtended strand (participates in β ladder)trans-70.5130.8-177.9-179.271.8000111.4Y447 I448 Y449 I459Y447-L456 HydrophobicContact CD1-CD1 3.82Å; I448-L456 WeakPolarHBondContact O-CD1 3.34Å; Y449-L456 HydrophobicContact CD1-CB 4.01Å; Y449-L456 HydrophobicContact CD1-CD1 3.92Å; Y449-L456 HydrophobicContact CD2-CD1 4.41Å; Y449-L456 HydrophobicContact CE1-CB 3.85Å; Y449-L456 HydrophobicContact CE1-CD1 3.58Å; Y449-L456 HydrophobicContact CE1-CG 4.3Å; Y449-L456 HydrophobicContact CE2-CD1 4.09Å; Y449-L456 HydrophobicContact CG-CD1 4.33Å; L456-I459 HydrophobicContact CD2-CD1 4.36Å; L456-I459 HydrophobicContact CD2-CG1 4.38Å
457V85.6Confident84.5Confident29 Ų2941.9 Ų41.918%0.17622%0.22CC..EExtended strand (participates in β ladder)trans-95.8-55.2-178.2-1780000111.6Y436 I448 F450 R498Y436-V457 HydrophobicContact CD1-CG2 4.03Å; Y436-V457 HydrophobicContact CE1-CG1 4.15Å; Y436-V457 HydrophobicContact CE1-CG2 3.98Å; I448-V457 HydrophobicContact CG2-CB 4.2Å; I448-V457 WeakPolarHBondContact O-CA 3.14Å; I448-V457 VanDerWaalsContact O-CB 3.29Å; I448-V457 WeakPolarHBondContact O-CB 3.46Å; I448-V457 PolarHBondContact O-N 2.97Å; F450-V457 HydrophobicContact CB-CG2 4.34Å; F450-V457 HydrophobicContact CD1-CG2 3.76Å; F450-V457 HydrophobicContact CD2-CG2 3.51Å; F450-V457 HydrophobicContact CE1-CG2 3.89Å; F450-V457 HydrophobicContact CE2-CG2 3.67Å; F450-V457 HydrophobicContact CG-CG2 3.57Å; F450-V457 HydrophobicContact CZ-CG2 3.86Å; V457-R498 HydrophobicContact CG1-CG 4.35Å
458T86.1Confident84.4Confident5 Ų543.7 Ų43.73%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-159.6167.9-176.7-173.30000111.3I448 Q501I448-T458 HydrophobicContact CB-CG2 3.87Å; I448-T458 HydrophobicContact CD1-CG2 3.96Å; I448-T458 HydrophobicContact CG1-CG2 4.2Å; I448-T458 PolarHBondContact N-O 2.91Å; I448-T458 PolarHBondContact O-N 2.8Å; T458-Q501 PolarHBondContact OG1-NE2 3.08Å; T458-Q501 VanDerWaalsContact OG1-NE2 3.16Å; T458-Q501 PolarHBondContact OG1-OE1 2.71Å
459I86.1Confident84.2Confident19 Ų1943.8 Ų43.810%0.09723%0.23CC..EExtended strand (participates in β ladder)trans-127.8130.5170.4-55.2170.9000107V446 Y447 L456 E461 Q501V446-I459 CarbonylContact O-C 3.55Å; V446-I459 WeakPolarHBondContact O-CA 3.43Å; Y447-I459 HydrophobicContact CD1-CD1 4.11Å; Y447-I459 HydrophobicContact CD1-CG1 3.94Å; Y447-I459 HydrophobicContact CD2-CG1 4.37Å; Y447-I459 HydrophobicContact CD2-CG2 4.05Å; Y447-I459 HydrophobicContact CE1-CD1 3.59Å; Y447-I459 HydrophobicContact CE1-CG1 3.95Å; Y447-I459 HydrophobicContact CE2-CD1 4.27Å; Y447-I459 HydrophobicContact CE2-CG1 4.37Å; Y447-I459 HydrophobicContact CE2-CG2 3.93Å; Y447-I459 HydrophobicContact CG-CG1 4.15Å; L456-I459 HydrophobicContact CD2-CD1 4.36Å; L456-I459 HydrophobicContact CD2-CG1 4.38Å; I459-E461 HydrophobicContact CG2-CG 4.19Å; I459-Q501 PolarHBondContact O-NE2 2.98Å
460I85.6Confident84.2Confident4 Ų444.1 Ų44.12%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-99.1137.9171.7-47.8179.4000107.6S445 V446 I448 L480 W492 L497S445-I460 CarbonylContact C-O 3.54Å; S445-I460 VanDerWaalsContact CA-O 3.22Å; S445-I460 WeakPolarHBondContact CA-O 3.29Å; V446-I460 HydrophobicContact CB-CB 4.24Å; V446-I460 PolarHBondContact N-O 2.97Å; V446-I460 PolarHBondContact O-N 3.14Å; I448-I460 HydrophobicContact CD1-CD1 3.85Å; I448-I460 HydrophobicContact CD1-CG1 4.36Å; I460-L480 HydrophobicContact CD1-CD2 4.01Å; I460-W492 HydrophobicContact CD1-CG 4.43Å; I460-W492 HydrophobicContact CG2-CD2 3.72Å; I460-W492 HydrophobicContact CG2-CE3 3.62Å; I460-W492 HydrophobicContact CG2-CH2 3.55Å; I460-W492 HydrophobicContact CG2-CZ2 3.66Å; I460-W492 HydrophobicContact CG2-CZ3 3.53Å; I460-L497 HydrophobicContact CD1-CD1 3.46Å; I460-L497 VanDerWaalsContact CD1-CD1 3.46Å; I460-L497 HydrophobicContact CG1-CD1 3.69Å; I460-L497 HydrophobicContact CG1-CD2 4.36Å; I460-L497 HydrophobicContact CG2-CD1 4.42Å; I460-L497 HydrophobicContact CG2-CD2 4.37Å
461E83.2Confident84.3Confident136 Ų13641.2 Ų41.264%0.63622%0.222SC*.EExtended strand (participates in β ladder)trans-133.7131.1175-62.1-178.1165.600107.6I459I459-E461 HydrophobicContact CG2-CG 4.19Å
462G72.9Confident84.6Confident35 Ų3541.9 Ų41.936%0.36123%0.226SC..  trans176-12-175.500000118.2Q490G462-Q490 PolarHBondContact O-NE2 3.34Å
463H82.6Confident84.7Confident15 Ų1536.2 Ų36.27%0.06920%0.201CC..  trans-94.6147.1169.6-75.4-96.2000111.2G465 I467 T482 D486 R488 Q490H463-G465 VanDerWaalsContact C-N 3.29Å; H463-G465 PolarHBondContact O-N 3.37Å; H463-I467 HydrophobicContact CB-CD1 4.06Å; H463-I467 HydrophobicContact CB-CG1 3.82Å; H463-T482 PolarHBondContact NE2-OG1 2.91Å; H463-D486 WeakPolarHBondContact CA-OD2 3.29Å; H463-D486 IonicContact CE1-OD1 2.68Å; H463-D486 IonicContact CG-OD1 3.64Å; H463-D486 IonicContact CG-OD2 3.89Å; H463-D486 IonicContact ND1-OD1 2.74Å; H463-D486 PolarHBondContact ND1-OD1 3.24Å; H463-D486 IonicContact ND1-OD2 3.62Å; H463-D486 PolarHBondContact ND1-OD2 3.3Å; H463-R488 PolarHBondContact CE1-O 3.44Å; H463-R488 VanDerWaalsContact CE1-O 3.3Å; H463-Q490 PolarHBondContact CD2-NE2 2.83Å; H463-Q490 PolarHBondContact CE1-NE2 2.78Å; H463-Q490 PolarHBondContact ND1-NE2 2.97Å; H463-Q490 PolarHBondContact NE2-NE2 2.85Å
464E78.3Confident84.7Confident141 Ų14135.4 Ų35.466%0.65919%0.194SC*.SBendtrans-90.918.3178.9-80.7164.5-134.500113.4D486 R488E464-D486 HydrophobicContact CB-CB 4.06Å; E464-D486 PolarHBondContact N-OD2 2.95Å; E464-R488 IonicContact OE1-CZ 3.91Å; E464-R488 VanDerWaalsContact OE1-CZ 3.23Å; E464-R488 IonicContact OE1-NH1 3.28Å; E464-R488 PolarHBondContact OE1-NH1 3.35Å; E464-R488 IonicContact OE1-NH2 2.9Å; E464-R488 PolarHBondContact OE1-NH2 3.4Å; E464-R488 IonicContact OE2-CZ 3.95Å; E464-R488 IonicContact OE2-NH1 2.82Å; E464-R488 IonicContact OE2-NH2 3.76Å; E464-R488 PolarHBondContact OE2-NH2 3.19Å
465G82.3Confident84.5Confident20 Ų2041.6 Ų41.621%0.20622%0.22CC..SBendtrans-158.7-163.9-179.700000112.6G444 H463G444-G465 WeakPolarHBondContact CA-O 3.38Å; G444-G465 PolarHBondContact N-O 2.8Å; G444-G465 VanDerWaalsContact N-O 3.1Å; H463-G465 VanDerWaalsContact C-N 3.29Å; H463-G465 PolarHBondContact O-N 3.37Å
466A85.6Confident84.2Confident9 Ų938.4 Ų38.47%0.07421%0.209CC..  trans-68.1147.9169.500000110.4K442 H468 G484 V485K442-A466 HydrophobicContact CB-CB 4.47Å; K442-A466 HydrophobicContact CG-CB 4.06Å; A466-H468 WeakPolarHBondContact CB-NE2 3.39Å; A466-G484 VanDerWaalsContact O-CA 3.29Å; A466-G484 WeakPolarHBondContact O-CA 3.37Å; A466-V485 HydrophobicContact CB-CG2 3.9Å; A466-V485 PolarHBondContact O-N 3.49Å
467I89.4Confident84Confident3 Ų336.4 Ų36.42%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-103.7105.7174.8-60.5173.6000106.7C426 S440 V446 H463 V470 G483C426-I467 WeakPolarHBondContact CB-O 3.49Å; S440-I467 WeakPolarHBondContact CB-O 3.41Å; S440-I467 PolarHBondContact OG-O 2.97Å; V446-I467 HydrophobicContact CG2-CD1 3.51Å; V446-I467 HydrophobicContact CG2-CG2 4.47Å; H463-I467 HydrophobicContact CB-CD1 4.06Å; H463-I467 HydrophobicContact CB-CG1 3.82Å; I467-V470 HydrophobicContact CG2-CG2 3.65Å; I467-G483 WeakPolarHBondContact CG2-O 3.47Å
468H86.7Confident83.8Confident50 Ų5037.1 Ų37.123%0.23120%0.201CC..EExtended strand (participates in β ladder)trans-89.7-45.1-178.2-74.8-103.3000110.7Y145 A466 G483Y145-H468 HydrophobicContact CD1-CB 3.92Å; Y145-H468 AromaticContact CD1-CG 3.82Å; Y145-H468 AromaticContact CD1-ND1 3.74Å; Y145-H468 AromaticContact CE1-ND1 3.92Å; A466-H468 WeakPolarHBondContact CB-NE2 3.39Å; H468-G483 PolarHBondContact N-O 2.71Å
469A86.6Confident83.7Confident2 Ų238.6 Ų38.62%0.01721%0.208CC..EExtended strand (participates in β ladder)trans-98.5133.8-179.200000112.4I144 Y145 L147 T482 G483I144-A469 HydrophobicContact CG2-CB 4.11Å; Y145-A469 WeakPolarHBondContact O-CB 3.29Å; L147-A469 HydrophobicContact CB-CB 3.46Å; L147-A469 VanDerWaalsContact CB-CB 3.46Å; L147-A469 HydrophobicContact CD1-CB 4.27Å; A469-T482 WeakPolarHBondContact O-CA 3.33Å; A469-G483 PolarHBondContact N-O 2.66Å; A469-G483 PolarHBondContact O-N 3.16Å
470V90.5Very high83.8Confident8 Ų837.7 Ų37.75%0.04820%0.203CC..EExtended strand (participates in β ladder)trans-144136.2171178.90000108.7L427 V429 I438 I467 L480 A481 T482L427-V470 HydrophobicContact CD2-CB 4.19Å; V429-V470 HydrophobicContact CG2-CB 4.28Å; V429-V470 HydrophobicContact CG2-CG1 4.41Å; I438-V470 HydrophobicContact CG2-CG1 4.15Å; I467-V470 HydrophobicContact CG2-CG2 3.65Å; V470-L480 HydrophobicContact CG1-CD1 3.58Å; V470-L480 HydrophobicContact CG1-CG 4.27Å; V470-A481 WeakPolarHBondContact CA-O 3.12Å; V470-T482 HydrophobicContact CG1-CG2 4.34Å; V470-T482 HydrophobicContact CG2-CG2 4.14Å
471S89.6Confident83.9Confident18 Ų1837.5 Ų37.513%0.12620%0.202CC..EExtended strand (participates in β ladder)trans-144.2124.6172-159.80000110.3L147 F149 A481L147-S471 WeakPolarHBondContact O-CB 3.29Å; F149-S471 WeakPolarHBondContact CE2-O 3.27Å; S471-A481 PolarHBondContact N-O 3.39Å; S471-A481 PolarHBondContact O-N 3.39Å
472P88.9Confident84.2Confident16 Ų1631 Ų3110%0.10417%0.172CC..EExtended strand (participates in β ladder)trans-77.1155.7170.324.8-21.2000111.2F149 V429 W430 I438 L480F149-P472 WeakPolarHBondContact CD2-O 2.9Å; V429-P472 HydrophobicContact CG1-CG 3.97Å; W430-P472 WeakPolarHBondContact O-CG 3.44Å; I438-P472 HydrophobicContact CD1-CB 4.45Å; P472-L480 HydrophobicContact CB-CD1 4.07Å
473S84.2Confident84.9Confident10 Ų1029.4 Ų29.47%0.0716%0.155CC..  trans-67.9134.9177173.30000111.2F475 D476 I479S473-F475 PolarHBondContact O-N 2.83Å; S473-F475 VanDerWaalsContact O-N 3.11Å; S473-F475 PolarHBondContact OG-N 2.86Å; S473-D476 WeakPolarHBondContact CB-O 3.35Å; S473-D476 PolarHBondContact OG-N 3.35Å; S473-I479 PolarHBondContact N-O 3.48Å
474P81.9Confident85.1Confident38 Ų3828.7 Ų28.725%0.24715%0.152CC..SBendtrans-76.212.9175.726.6-29000114.2F149 I432F149-P474 VanDerWaalsContact CB-CD 3.46Å; F149-P474 HydrophobicContact CB-CG 3.77Å; F149-P474 HydrophobicContact CG-CG 4.37Å; I432-P474 HydrophobicContact CD1-CB 4.49Å; I432-P474 WeakPolarHBondContact CD1-O 3.38Å
475F76.6Confident85.4Confident133 Ų13325.3 Ų25.358%0.58314%0.141SC*.SBendtrans-140.3-27.3-178.8-68.5-92.8000114.7G153 S473G153-F475 VanDerWaalsContact N-CE2 3.33Å; S473-F475 PolarHBondContact O-N 2.83Å; S473-F475 VanDerWaalsContact O-N 3.11Å; S473-F475 PolarHBondContact OG-N 2.86Å
476D78.9Confident85.3Confident53 Ų5325.9 Ų25.928%0.28314%0.139SC..  trans-126.6109.6170.9179.96.6000110S473 N478 I479S473-D476 WeakPolarHBondContact CB-O 3.35Å; S473-D476 PolarHBondContact OG-N 3.35Å; D476-N478 PolarHBondContact O-N 3.3Å; D476-N478 VanDerWaalsContact OD1-CB 3.29Å; D476-N478 WeakPolarHBondContact OD1-CB 3.23Å; D476-N478 PolarHBondContact OD1-N 2.96Å; D476-N478 PolarHBondContact OD1-ND2 2.97Å; D476-I479 HydrophobicContact CB-CB 4.4Å; D476-I479 HydrophobicContact CB-CD1 4.02Å; D476-I479 HydrophobicContact CB-CG1 4.13Å; D476-I479 PolarHBondContact O-N 3.46Å; D476-I479 WeakPolarHBondContact OD2-CG1 3.43Å
477E81.5Confident84.8Confident21 Ų2125.6 Ų25.610%0.09814%0.137CC..THydrogen-bonded Turntrans-55.7-15.1175.5173.1156.4-105.600113.9S431 I432 H433 Q435 Y436S431-E477 VanDerWaalsContact CB-OE1 3.26Å; S431-E477 WeakPolarHBondContact CB-OE1 3.48Å; S431-E477 PolarHBondContact OG-OE1 3.29Å; I432-E477 HydrophobicContact CG2-CB 4.3Å; H433-E477 WeakPolarHBondContact CB-OE1 3.13Å; H433-E477 IonicContact CD2-OE2 3.23Å; H433-E477 PolarHBondContact N-OE1 2.96Å; Q435-E477 WeakPolarHBondContact CB-OE1 3.34Å; Q435-E477 VanDerWaalsContact CB-OE2 3.3Å; Q435-E477 WeakPolarHBondContact CB-OE2 3.39Å; Q435-E477 PolarHBondContact N-OE1 2.79Å; Y436-E477 HydrophobicContact CD2-CG 3.72Å; Y436-E477 HydrophobicContact CE2-CG 3.8Å
478N82.1Confident84.4Confident44 Ų4426.5 Ų26.524%0.23514%0.14CC..THydrogen-bonded Turntrans-87.9-13.9174.2-56.5-84.4000114.1D476 N493 I494 S495D476-N478 PolarHBondContact O-N 3.3Å; D476-N478 VanDerWaalsContact OD1-CB 3.29Å; D476-N478 WeakPolarHBondContact OD1-CB 3.23Å; D476-N478 PolarHBondContact OD1-N 2.96Å; D476-N478 PolarHBondContact OD1-ND2 2.97Å; N478-N493 CarbonylContact O-C 3.52Å; N478-N493 VanDerWaalsContact O-CA 3.31Å; N478-N493 WeakPolarHBondContact O-CA 2.86Å; N478-I494 WeakPolarHBondContact O-CG1 3.4Å; N478-I494 PolarHBondContact O-N 3.36Å; N478-S495 WeakPolarHBondContact OD1-CB 3.4Å
479I84.1Confident84.3Confident36 Ų3624.1 Ų24.119%0.18513%0.129CC..EExtended strand (participates in β ladder)trans-96130.6-178-67.1174.5000110.6F149 S473 D476 L491 W492 L519F149-I479 HydrophobicContact CZ-CG2 4.42Å; S473-I479 PolarHBondContact N-O 3.48Å; D476-I479 HydrophobicContact CB-CB 4.4Å; D476-I479 HydrophobicContact CB-CD1 4.02Å; D476-I479 HydrophobicContact CB-CG1 4.13Å; D476-I479 PolarHBondContact O-N 3.46Å; D476-I479 WeakPolarHBondContact OD2-CG1 3.43Å; I479-L491 HydrophobicContact CG2-CD2 4.04Å; I479-W492 WeakPolarHBondContact CA-O 3.46Å; I479-L519 HydrophobicContact CG1-CD1 4.35Å
480L88.7Confident84.2Confident0 Ų024.4 Ų24.40%013%0.13CC..EExtended strand (participates in β ladder)trans-135.1132.7-178-176.266.7000110.8I438 V446 I448 I460 V470 P472 T482 L491 W492 I494I438-L480 HydrophobicContact CD1-CD1 3.58Å; I438-L480 HydrophobicContact CD1-CD2 4.18Å; I438-L480 HydrophobicContact CD1-CG 4.46Å; I438-L480 HydrophobicContact CG2-CD1 4.4Å; I438-L480 HydrophobicContact CG2-CD2 4.03Å; V446-L480 HydrophobicContact CG1-CD2 4.37Å; I448-L480 HydrophobicContact CD1-CD2 4.46Å; I460-L480 HydrophobicContact CD1-CD2 4.01Å; V470-L480 HydrophobicContact CG1-CD1 3.58Å; V470-L480 HydrophobicContact CG1-CG 4.27Å; P472-L480 HydrophobicContact CB-CD1 4.07Å; L480-T482 HydrophobicContact CD2-CG2 4.31Å; L480-T482 HydrophobicContact CG-CG2 4.25Å; L480-L491 CarbonylContact O-C 3.59Å; L480-L491 WeakPolarHBondContact O-CA 3.5Å; L480-W492 HydrophobicContact CB-CB 4.37Å; L480-W492 PolarHBondContact N-O 3.13Å; L480-W492 VanDerWaalsContact N-O 3.16Å; L480-W492 PolarHBondContact O-N 2.89Å; L480-I494 HydrophobicContact CB-CD1 4.18Å; L480-I494 HydrophobicContact CB-CG1 4.44Å
481A88.4Confident84.1Confident0 Ų024.2 Ų24.20%013%0.129CC..EExtended strand (participates in β ladder)trans-106.6141.9172.900000111.2L147 F149 V470 S471 F489 Q490 L491L147-A481 HydrophobicContact CD1-CB 4.21Å; L147-A481 HydrophobicContact CD2-CB 3.59Å; F149-A481 HydrophobicContact CE2-CB 3.76Å; F149-A481 HydrophobicContact CZ-CB 4.16Å; V470-A481 WeakPolarHBondContact CA-O 3.12Å; S471-A481 PolarHBondContact N-O 3.39Å; S471-A481 PolarHBondContact O-N 3.39Å; A481-F489 HydrophobicContact CB-CE2 3.92Å; A481-F489 HydrophobicContact CB-CZ 4.23Å; A481-Q490 CarbonylContact C-O 3.55Å; A481-Q490 VanDerWaalsContact CA-O 3.31Å; A481-Q490 WeakPolarHBondContact CA-O 3.24Å; A481-L491 HydrophobicContact CB-CD2 3.79Å; A481-L491 HydrophobicContact CB-CG 4.45Å
482T88.9Confident83.9Confident0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-139.3138-178.161.20000112.4V446 H463 A469 V470 L480 F489 Q490 W492V446-T482 HydrophobicContact CG2-CG2 4.14Å; H463-T482 PolarHBondContact NE2-OG1 2.91Å; A469-T482 WeakPolarHBondContact O-CA 3.33Å; V470-T482 HydrophobicContact CG1-CG2 4.34Å; V470-T482 HydrophobicContact CG2-CG2 4.14Å; L480-T482 HydrophobicContact CD2-CG2 4.31Å; L480-T482 HydrophobicContact CG-CG2 4.25Å; T482-F489 WeakPolarHBondContact O-CA 3.39Å; T482-Q490 PolarHBondContact N-O 3.28Å; T482-Q490 PolarHBondContact O-N 2.84Å; T482-W492 PolarHBondContact OG1-NE1 2.73Å
483G87.1Confident83.7Confident0 Ų024.2 Ų24.20%013%0.125CC..EExtended strand (participates in β ladder)trans-121.7137.4176.800000111.6I467 H468 A469 R488I467-G483 WeakPolarHBondContact CG2-O 3.47Å; H468-G483 PolarHBondContact N-O 2.71Å; A469-G483 PolarHBondContact N-O 2.66Å; A469-G483 PolarHBondContact O-N 3.16Å; G483-R488 WeakPolarHBondContact CA-O 3.47Å
484G86.1Confident83.6Confident0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-132.7168.6-173.100000115.4I144 A466 D486 G487 R488I144-G484 PolarHBondContact N-O 2.87Å; A466-G484 VanDerWaalsContact O-CA 3.29Å; A466-G484 WeakPolarHBondContact O-CA 3.37Å; G484-D486 PolarHBondContact O-N 3.14Å; G484-G487 PolarHBondContact O-N 2.81Å; G484-G487 VanDerWaalsContact O-N 3.14Å; G484-R488 PolarHBondContact N-O 2.68Å
485V85.5Confident83.5Confident71 Ų7123.4 Ų23.443%0.4312%0.121SC..THydrogen-bonded Turntrans-61.4-18.8173.21790000112.5A143 A466 G487A143-V485 HydrophobicContact CB-CB 4.37Å; A143-V485 HydrophobicContact CB-CG2 4.33Å; A466-V485 HydrophobicContact CB-CG2 3.9Å; A466-V485 PolarHBondContact O-N 3.49Å; V485-G487 PolarHBondContact O-N 3.24Å
486D80.4Confident83.4Confident31 Ų3117.8 Ų17.817%0.16610%0.097CC..THydrogen-bonded Turntrans-76.88.817559.8-12.8000114.1H463 E464 G484 R488H463-D486 WeakPolarHBondContact CA-OD2 3.29Å; H463-D486 IonicContact CE1-OD1 2.68Å; H463-D486 IonicContact CG-OD1 3.64Å; H463-D486 IonicContact CG-OD2 3.89Å; H463-D486 IonicContact ND1-OD1 2.74Å; H463-D486 PolarHBondContact ND1-OD1 3.24Å; H463-D486 IonicContact ND1-OD2 3.62Å; H463-D486 PolarHBondContact ND1-OD2 3.3Å; E464-D486 HydrophobicContact CB-CB 4.06Å; E464-D486 PolarHBondContact N-OD2 2.95Å; G484-D486 PolarHBondContact O-N 3.14Å; D486-R488 HydrophobicContact CB-CG 4.21Å; D486-R488 WeakPolarHBondContact O-CG 3.42Å; D486-R488 PolarHBondContact O-N 2.89Å; D486-R488 WeakPolarHBondContact OD2-CD 3.41Å; D486-R488 IonicContact OD2-CZ 2.74Å; D486-R488 IonicContact OD2-NE 2.71Å; D486-R488 PolarHBondContact OD2-NE 3.5Å; D486-R488 IonicContact OD2-NH1 3.79Å
487G74.4Confident83.1Confident3 Ų315.9 Ų15.93%0.0319%0.086CC..SBendtrans62.321-177.300000113.6A139 H140 T142 G484 V485A139-G487 WeakPolarHBondContact CB-O 3.47Å; H140-G487 PolarHBondContact N-O 3.22Å; T142-G487 WeakPolarHBondContact O-CA 3.25Å; G484-G487 PolarHBondContact O-N 2.81Å; G484-G487 VanDerWaalsContact O-N 3.14Å; V485-G487 PolarHBondContact O-N 3.24Å
488R81.8Confident82.6Confident23 Ų2317.2 Ų17.29%0.0879%0.09CC..  trans-100138.1-178.5-57.1-175.6-161.2169.35.3110.9H463 E464 G483 G484 D486 Q490 Y522 R523H463-R488 PolarHBondContact CE1-O 3.44Å; H463-R488 VanDerWaalsContact CE1-O 3.3Å; E464-R488 IonicContact OE1-CZ 3.91Å; E464-R488 VanDerWaalsContact OE1-CZ 3.23Å; E464-R488 IonicContact OE1-NH1 3.28Å; E464-R488 PolarHBondContact OE1-NH1 3.35Å; E464-R488 IonicContact OE1-NH2 2.9Å; E464-R488 PolarHBondContact OE1-NH2 3.4Å; E464-R488 IonicContact OE2-CZ 3.95Å; E464-R488 IonicContact OE2-NH1 2.82Å; E464-R488 IonicContact OE2-NH2 3.76Å; E464-R488 PolarHBondContact OE2-NH2 3.19Å; G483-R488 WeakPolarHBondContact CA-O 3.47Å; G484-R488 PolarHBondContact N-O 2.68Å; D486-R488 HydrophobicContact CB-CG 4.21Å; D486-R488 WeakPolarHBondContact O-CG 3.42Å; D486-R488 PolarHBondContact O-N 2.89Å; D486-R488 WeakPolarHBondContact OD2-CD 3.41Å; D486-R488 IonicContact OD2-CZ 2.74Å; D486-R488 IonicContact OD2-NE 2.71Å; D486-R488 PolarHBondContact OD2-NE 3.5Å; D486-R488 IonicContact OD2-NH1 3.79Å; R488-Q490 HydrophobicContact CB-CG 4.35Å; R488-Y522 VanDerWaalsContact CA-O 3.25Å; R488-Y522 WeakPolarHBondContact CA-O 3.29Å; R488-Y522 WeakPolarHBondContact CB-O 3.22Å; R488-R523 HydrophobicContact CG-CB 4.1Å; R488-R523 HydrophobicContact CG-CG 4.33Å; R488-R523 VanDerWaalsContact NH2-CZ 3.31Å
489F84.7Confident81.9Confident0 Ų022.5 Ų22.50%011%0.107CC..EExtended strand (participates in β ladder)trans-103.2132.1161.6170.5-101.3000108I144 L147 V156 T158 A481 T482 L491 H521 Y522I144-F489 HydrophobicContact CD1-CB 4.24Å; L147-F489 HydrophobicContact CD1-CD2 3.75Å; L147-F489 HydrophobicContact CD1-CE2 3.77Å; L147-F489 HydrophobicContact CD2-CE2 4.44Å; L147-F489 HydrophobicContact CG-CE2 4.24Å; V156-F489 HydrophobicContact CB-CZ 4.33Å; V156-F489 HydrophobicContact CG1-CE2 3.69Å; V156-F489 HydrophobicContact CG1-CZ 3.95Å; V156-F489 HydrophobicContact CG2-CZ 4.47Å; T158-F489 HydrophobicContact CG2-CD2 3.61Å; T158-F489 HydrophobicContact CG2-CE2 4.07Å; T158-F489 HydrophobicContact CG2-CG 4.35Å; A481-F489 HydrophobicContact CB-CE2 3.92Å; A481-F489 HydrophobicContact CB-CZ 4.23Å; T482-F489 WeakPolarHBondContact O-CA 3.39Å; F489-L491 HydrophobicContact CE1-CD1 3.76Å; F489-L491 HydrophobicContact CE1-CG 3.89Å; F489-L491 HydrophobicContact CZ-CD1 3.88Å; F489-L491 HydrophobicContact CZ-CD2 4.4Å; F489-L491 HydrophobicContact CZ-CG 3.76Å; F489-H521 CarbonylContact O-C 3.41Å; F489-H521 VanDerWaalsContact O-CA 3.25Å; F489-H521 WeakPolarHBondContact O-CA 3.05Å; F489-Y522 HydrophobicContact CD1-CD2 4.45Å; F489-Y522 PolarHBondContact N-O 3.32Å; F489-Y522 PolarHBondContact O-N 2.94Å
490Q85.2Confident80.9Confident7 Ų724.8 Ų24.83%0.03312%0.116CC..EExtended strand (participates in β ladder)trans-133.1142.5-179.5-56.9-166.14700111.2G462 H463 A481 T482 R488 W492 L518 F520 H521G462-Q490 PolarHBondContact O-NE2 3.34Å; H463-Q490 PolarHBondContact CD2-NE2 2.83Å; H463-Q490 PolarHBondContact CE1-NE2 2.78Å; H463-Q490 PolarHBondContact ND1-NE2 2.97Å; H463-Q490 PolarHBondContact NE2-NE2 2.85Å; A481-Q490 CarbonylContact C-O 3.55Å; A481-Q490 VanDerWaalsContact CA-O 3.31Å; A481-Q490 WeakPolarHBondContact CA-O 3.24Å; T482-Q490 PolarHBondContact N-O 3.28Å; T482-Q490 PolarHBondContact O-N 2.84Å; R488-Q490 HydrophobicContact CB-CG 4.35Å; Q490-W492 HydrophobicContact CB-CZ2 4.26Å; Q490-W492 VanDerWaalsContact OE1-CZ2 3.24Å; Q490-L518 HydrophobicContact CB-CD1 4.01Å; Q490-F520 CarbonylContact C-O 3.46Å; Q490-F520 WeakPolarHBondContact CA-O 3.19Å; Q490-H521 HydrophobicContact CG-CB 3.9Å
491L87Confident79.7Confident4 Ų429.1 Ų29.12%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-119.8130.3175.6-87.9163.4000109.8F149 C178 I479 L480 A481 F489 L518 L519 F520F149-L491 HydrophobicContact CZ-CD2 4.12Å; C178-L491 HydrophobicContact CB-CD1 4.11Å; I479-L491 HydrophobicContact CG2-CD2 4.04Å; L480-L491 CarbonylContact O-C 3.59Å; L480-L491 WeakPolarHBondContact O-CA 3.5Å; A481-L491 HydrophobicContact CB-CD2 3.79Å; A481-L491 HydrophobicContact CB-CG 4.45Å; F489-L491 HydrophobicContact CE1-CD1 3.76Å; F489-L491 HydrophobicContact CE1-CG 3.89Å; F489-L491 HydrophobicContact CZ-CD1 3.88Å; F489-L491 HydrophobicContact CZ-CD2 4.4Å; F489-L491 HydrophobicContact CZ-CG 3.76Å; L491-L518 WeakPolarHBondContact O-CD1 3.24Å; L491-L519 HydrophobicContact CB-CB 4.16Å; L491-L519 WeakPolarHBondContact O-CB 3.43Å; L491-L519 PolarHBondContact O-N 2.9Å; L491-F520 HydrophobicContact CB-CB 4.32Å; L491-F520 HydrophobicContact CB-CD2 4.46Å; L491-F520 HydrophobicContact CD1-CD2 4.11Å; L491-F520 PolarHBondContact N-O 2.89Å; L491-F520 PolarHBondContact O-N 3.49Å
492W86.4Confident78.3Confident14 Ų1435.6 Ų35.65%0.05317%0.166CC..EExtended strand (participates in β ladder)trans-122.6156.5-170.9-56.292.4000112.2I460 I479 L480 T482 Q490 L497 P517 L518I460-W492 HydrophobicContact CD1-CG 4.43Å; I460-W492 HydrophobicContact CG2-CD2 3.72Å; I460-W492 HydrophobicContact CG2-CE3 3.62Å; I460-W492 HydrophobicContact CG2-CH2 3.55Å; I460-W492 HydrophobicContact CG2-CZ2 3.66Å; I460-W492 HydrophobicContact CG2-CZ3 3.53Å; I479-W492 WeakPolarHBondContact CA-O 3.46Å; L480-W492 HydrophobicContact CB-CB 4.37Å; L480-W492 PolarHBondContact N-O 3.13Å; L480-W492 VanDerWaalsContact N-O 3.16Å; L480-W492 PolarHBondContact O-N 2.89Å; T482-W492 PolarHBondContact OG1-NE1 2.73Å; Q490-W492 HydrophobicContact CB-CZ2 4.26Å; Q490-W492 VanDerWaalsContact OE1-CZ2 3.24Å; W492-L497 HydrophobicContact CB-CD1 4.17Å; W492-L497 HydrophobicContact CE3-CD1 4.21Å; W492-L497 HydrophobicContact CE3-CD2 4.42Å; W492-P517 WeakPolarHBondContact CA-O 3.23Å; W492-L518 HydrophobicContact CD2-CD1 3.82Å; W492-L518 HydrophobicContact CE3-CB 4.16Å; W492-L518 HydrophobicContact CE3-CD1 3.76Å; W492-L518 HydrophobicContact CH2-CD1 3.86Å; W492-L518 HydrophobicContact CZ2-CD1 3.9Å; W492-L518 HydrophobicContact CZ3-CB 4.07Å; W492-L518 HydrophobicContact CZ3-CD1 3.78Å; W492-L518 HydrophobicContact CZ3-CG 4.49Å
493N84.9Confident76.5Confident21 Ų2140.3 Ų40.311%0.11219%0.192CC..EExtended strand (participates in β ladder)trans-119.2112.5164.6-172-61.6000111.3N478 S495 N496 L497 P517 L519N478-N493 CarbonylContact O-C 3.52Å; N478-N493 VanDerWaalsContact O-CA 3.31Å; N478-N493 WeakPolarHBondContact O-CA 2.86Å; N493-S495 VanDerWaalsContact C-N 3.31Å; N493-S495 PolarHBondContact O-N 2.81Å; N493-S495 WeakPolarHBondContact OD1-CA 3.46Å; N493-S495 WeakPolarHBondContact OD1-CB 3.22Å; N493-S495 PolarHBondContact OD1-N 2.91Å; N493-S495 PolarHBondContact OD1-OG 2.91Å; N493-N496 HydrophobicContact CB-CB 4.12Å; N493-N496 PolarHBondContact O-N 2.9Å; N493-N496 PolarHBondContact OD1-N 3.33Å; N493-L497 WeakPolarHBondContact O-CG 3.46Å; N493-L497 PolarHBondContact O-N 3.1Å; N493-P517 PolarHBondContact N-O 2.85Å; N493-L519 HydrophobicContact CB-CD1 4.35Å; N493-L519 HydrophobicContact CB-CD2 4.31Å; N493-L519 HydrophobicContact CB-CG 4.36Å
494I81.8Confident74.9Confident1 Ų141.9 Ų41.91%0.00520%0.201CC..Hα-helixtrans-67-28.8-175.1-58.6164.6000111.9I438 I448 N478 L480 R498I438-I494 HydrophobicContact CD1-CD1 4.47Å; I448-I494 HydrophobicContact CD1-CD1 3.83Å; I448-I494 HydrophobicContact CD1-CG1 3.76Å; I448-I494 HydrophobicContact CD1-CG2 3.92Å; N478-I494 WeakPolarHBondContact O-CG1 3.4Å; N478-I494 PolarHBondContact O-N 3.36Å; L480-I494 HydrophobicContact CB-CD1 4.18Å; L480-I494 HydrophobicContact CB-CG1 4.44Å; I494-R498 WeakPolarHBondContact O-CG 3.33Å; I494-R498 PolarHBondContact O-N 3.47Å; I494-R498 VanDerWaalsContact O-N 3.14Å; I494-R498 PolarHBondContact O-NE 2.97Å
495S78.2Confident72.8Confident30 Ų3044.4 Ų44.421%0.2121%0.213CC..Hα-helixtrans-71.1-42.6174.484.10000111.4N478 N493 R498 R499N478-S495 WeakPolarHBondContact OD1-CB 3.4Å; N493-S495 VanDerWaalsContact C-N 3.31Å; N493-S495 PolarHBondContact O-N 2.81Å; N493-S495 WeakPolarHBondContact OD1-CA 3.46Å; N493-S495 WeakPolarHBondContact OD1-CB 3.22Å; N493-S495 PolarHBondContact OD1-N 2.91Å; N493-S495 PolarHBondContact OD1-OG 2.91Å; S495-R498 PolarHBondContact O-N 2.92Å; S495-R499 WeakPolarHBondContact O-CG 3.45Å; S495-R499 PolarHBondContact O-N 2.81Å
496N74.8Confident70.8Confident15 Ų1545.7 Ų45.78%0.0822%0.215CC..Hα-helixtrans-66.1-43.1176.3-67.8-12.1000110.9N493 R498 R499 F500 D515 K516N493-N496 HydrophobicContact CB-CB 4.12Å; N493-N496 PolarHBondContact O-N 2.9Å; N493-N496 PolarHBondContact OD1-N 3.33Å; N496-R498 VanDerWaalsContact C-N 3.33Å; N496-R498 PolarHBondContact O-N 3.27Å; N496-R499 PolarHBondContact O-N 3.45Å; N496-F500 VanDerWaalsContact O-CB 3.25Å; N496-F500 WeakPolarHBondContact O-CB 3.42Å; N496-F500 PolarHBondContact O-N 2.83Å; N496-D515 WeakPolarHBondContact ND2-CB 3.25Å; N496-K516 PolarHBondContact ND2-O 2.86Å; N496-K516 VanDerWaalsContact ND2-O 3.1Å
497L73.5Confident68.9Low12 Ų1247.4 Ų47.46%0.06322%0.224CC..Hα-helixtrans-53.5-46.8172.3-80.4157.1000112.4I460 W492 N493 F500 Q501 P517I460-L497 HydrophobicContact CD1-CD1 3.46Å; I460-L497 VanDerWaalsContact CD1-CD1 3.46Å; I460-L497 HydrophobicContact CG1-CD1 3.69Å; I460-L497 HydrophobicContact CG1-CD2 4.36Å; I460-L497 HydrophobicContact CG2-CD1 4.42Å; I460-L497 HydrophobicContact CG2-CD2 4.37Å; W492-L497 HydrophobicContact CB-CD1 4.17Å; W492-L497 HydrophobicContact CE3-CD1 4.21Å; W492-L497 HydrophobicContact CE3-CD2 4.42Å; N493-L497 WeakPolarHBondContact O-CG 3.46Å; N493-L497 PolarHBondContact O-N 3.1Å; L497-F500 PolarHBondContact O-N 2.83Å; L497-Q501 WeakPolarHBondContact O-CG 3.45Å; L497-Q501 PolarHBondContact O-N 2.96Å; L497-P517 HydrophobicContact CB-CB 4.45Å; L497-P517 HydrophobicContact CD2-CB 3.62Å; L497-P517 HydrophobicContact CG-CB 3.62Å
498R71.5Confident67.5Low50 Ų5053.9 Ų53.919%0.18925%0.253CS..Hα-helixtrans-64.5-47.3176.7-80.2-177.3-84.5-167.6-2.3112.7Y436 V457 I494 S495 N496 F500 Q501 Q502Y436-R498 VanDerWaalsContact CZ-NH2 3.3Å; Y436-R498 PolarHBondContact OH-NH1 3.05Å; Y436-R498 PolarHBondContact OH-NH2 2.92Å; V457-R498 HydrophobicContact CG1-CG 4.35Å; I494-R498 WeakPolarHBondContact O-CG 3.33Å; I494-R498 PolarHBondContact O-N 3.47Å; I494-R498 VanDerWaalsContact O-N 3.14Å; I494-R498 PolarHBondContact O-NE 2.97Å; S495-R498 PolarHBondContact O-N 2.92Å; N496-R498 VanDerWaalsContact C-N 3.33Å; N496-R498 PolarHBondContact O-N 3.27Å; R498-F500 VanDerWaalsContact C-N 3.3Å; R498-F500 PolarHBondContact O-N 2.87Å; R498-Q501 PolarHBondContact O-N 2.87Å; R498-Q502 WeakPolarHBondContact O-CB 3.27Å; R498-Q502 WeakPolarHBondContact O-CG 3.34Å; R498-Q502 PolarHBondContact O-N 2.76Å
499R66.3Low65.3Low154 Ų15459.9 Ų59.958%0.58129%0.287SS*.Hα-helixtrans-56.5-45.2174.8-71.3170.7175.6173.1-2111.2S495 N496 Q501 Q502 N503S495-R499 WeakPolarHBondContact O-CG 3.45Å; S495-R499 PolarHBondContact O-N 2.81Å; N496-R499 PolarHBondContact O-N 3.45Å; R499-Q501 PolarHBondContact O-N 3.46Å; R499-Q502 PolarHBondContact O-N 3.3Å; R499-N503 PolarHBondContact O-N 2.63Å
500F63.5Low62.8Low85 Ų8565.6 Ų65.637%0.37332%0.318SS..Hα-helixtrans-68.8-32.2-178.6-156.1-88.9000113.2N496 L497 R498 P504N496-F500 VanDerWaalsContact O-CB 3.25Å; N496-F500 WeakPolarHBondContact O-CB 3.42Å; N496-F500 PolarHBondContact O-N 2.83Å; L497-F500 PolarHBondContact O-N 2.83Å; R498-F500 VanDerWaalsContact C-N 3.3Å; R498-F500 PolarHBondContact O-N 2.87Å; F500-P504 WeakPolarHBondContact O-CD 3.39Å
501Q63.3Low60.4Low91 Ų9174.8 Ų74.843%0.42536%0.36SS..Hα-helixtrans-77-31.7172.6-72.8-178.42.900113T458 I459 L497 R498 R499 P504T458-Q501 PolarHBondContact OG1-NE2 3.08Å; T458-Q501 VanDerWaalsContact OG1-NE2 3.16Å; T458-Q501 PolarHBondContact OG1-OE1 2.71Å; I459-Q501 PolarHBondContact O-NE2 2.98Å; L497-Q501 WeakPolarHBondContact O-CG 3.45Å; L497-Q501 PolarHBondContact O-N 2.96Å; R498-Q501 PolarHBondContact O-N 2.87Å; R499-Q501 PolarHBondContact O-N 3.46Å; Q501-P504 VanDerWaalsContact O-CD 3.28Å; Q501-P504 WeakPolarHBondContact O-CD 3.36Å
502Q59.7Low57.8Low136 Ų13682.3 Ų82.364%0.63640%0.395SS*.Hα-helixtrans-71-38.4174.4-72.9177.9-2.200112.2R498 R499 P504 R1107R498-Q502 WeakPolarHBondContact O-CB 3.27Å; R498-Q502 WeakPolarHBondContact O-CG 3.34Å; R498-Q502 PolarHBondContact O-N 2.76Å; R499-Q502 PolarHBondContact O-N 3.3Å; Q502-P504 VanDerWaalsContact C-CD 3.43Å; Q502-R1107 VanDerWaalsContact O-CZ 3.26Å; Q502-R1107 PolarHBondContact O-NH1 3.4Å; Q502-R1107 PolarHBondContact O-NH2 2.63Å
503N50.1Low55.6Low99 Ų9987 Ų8753%0.52943%0.43SS..  trans-123.744.2-173.6-93.5-19.7000118.5R499 Q505R499-N503 PolarHBondContact O-N 2.63Å; N503-Q505 PolarHBondContact O-N 2.85Å
504P53.2Low53.6Low32 Ų3291.2 Ų91.221%0.20845%0.451CS..THydrogen-bonded Turntrans-7553.4174.535-37.9000112.8F500 Q501 Q502F500-P504 WeakPolarHBondContact O-CD 3.39Å; Q501-P504 VanDerWaalsContact O-CD 3.28Å; Q501-P504 WeakPolarHBondContact O-CD 3.36Å; Q502-P504 VanDerWaalsContact C-CD 3.43Å
505Q42.2Very low52.2Low53 Ų5395.5 Ų95.525%0.24847%0.474CS..THydrogen-bonded Turntrans-154.111.5-179.7-145.5176.71200114.5N503 R1107N503-Q505 PolarHBondContact O-N 2.85Å; Q505-R1107 HydrophobicContact CG-CG 4.43Å; Q505-R1107 VanDerWaalsContact NE2-N 3.2Å; Q505-R1107 PolarHBondContact NE2-O 2.93Å
506H44.5Very low51.1Low99 Ų99102 Ų10246%0.45850%0.499SS..  trans-115.96.7174.2-90.2-79.8000113.2E508H506-E508 PolarHBondContact O-N 3.43Å; H506-E508 VanDerWaalsContact O-N 3.11Å
507D40.4Very low50.7Low67 Ų67102.6 Ų102.636%0.35850%0.504SS..THydrogen-bonded Turntrans-67.1-8.5-170.1-42.7-14.8000115.9R1105D507-R1105 IonicContact OD2-CZ 2.69Å; D507-R1105 VanDerWaalsContact OD2-CZ 3.31Å; D507-R1105 IonicContact OD2-NH1 3.79Å; D507-R1105 PolarHBondContact OD2-NH1 3.01Å; D507-R1105 IonicContact OD2-NH2 3.91Å; D507-R1105 PolarHBondContact OD2-NH2 3.1Å
508E44.1Very low50.7Low139 Ų139104.3 Ų104.365%0.6551%0.513SS*.THydrogen-bonded Turntrans-102.7-24.4-168.3-68.4179.6156.800114.8H506 R1106H506-E508 PolarHBondContact O-N 3.43Å; H506-E508 VanDerWaalsContact O-N 3.11Å; E508-R1106 IonicContact OE2-NH2 2.72Å; E508-R1106 PolarHBondContact OE2-NH2 3.46Å
509D35.2Very low50.7Low148 Ų148104.6 Ų104.679%0.79152%0.518SS*.THydrogen-bonded Turntrans-120.7-11.4-166.1-63.4-57.8000116.5
510N32.1Very low50.9Low121 Ų12199.3 Ų99.365%0.64750%0.499SS*.  trans-122.198.3-176.3-91.2-13.4000112.5Q512N510-Q512 PolarHBondContact O-N 3Å
511H36.3Very low51.3Low199 Ų199100.5 Ų100.592%0.92151%0.505SS*.  trans-81.153.7170.7-74.8-50.3000113.1
512Q32.8Very low51.4Low163 Ų16397.9 Ų97.976%0.76249%0.492SS*.SBendtrans-116.5142.9160.6-73.1-172.8-16.900108.9N510 I514N510-Q512 PolarHBondContact O-N 3Å; Q512-I514 PolarHBondContact O-N 2.79Å
513S39.4Very low51.4Low112 Ų11296.5 Ų96.578%0.78348%0.481SS*.  trans-56.4105.7-162.449.20000113.9
514I43.2Very low51.3Low110 Ų11095 Ų9556%0.56447%0.47SS*.  trans-92.5111.3160.4-60.2178.2000106.9Q512 K516Q512-I514 PolarHBondContact O-N 2.79Å; I514-K516 PolarHBondContact O-N 3.39Å
515D52.1Low50.5Low91 Ų9196.3 Ų96.349%0.48748%0.478SS..  trans-61.7135.3-174.5-59-53.7000112.1N496N496-D515 WeakPolarHBondContact ND2-CB 3.25Å
516K54.3Low50.3Low165 Ų16597.3 Ų97.372%0.71749%0.489SS*.  trans-67.9144.7-175.4-69.8-178179178.70111N496 I514 L518N496-K516 PolarHBondContact ND2-O 2.86Å; N496-K516 VanDerWaalsContact ND2-O 3.1Å; I514-K516 PolarHBondContact O-N 3.39Å; K516-L518 VanDerWaalsContact C-N 3.32Å; K516-L518 WeakPolarHBondContact CB-O 3.34Å
517P68.2Low49.6Very low29 Ų2996.1 Ų96.119%0.18850%0.504CS..SBendtrans-70.1-29.4176.526.3-33.4000113.1W492 N493 L497W492-P517 WeakPolarHBondContact CA-O 3.23Å; N493-P517 PolarHBondContact N-O 2.85Å; L497-P517 HydrophobicContact CB-CB 4.45Å; L497-P517 HydrophobicContact CD2-CB 3.62Å; L497-P517 HydrophobicContact CG-CB 3.62Å
518L73.4Confident49.1Very low48 Ų4899.9 Ų99.925%0.25152%0.524SS..EExtended strand (participates in β ladder)trans-99.6124.7172.3-175.773.4000108.3Q490 L491 W492 K516 F520 H521Q490-L518 HydrophobicContact CB-CD1 4.01Å; L491-L518 WeakPolarHBondContact O-CD1 3.24Å; W492-L518 HydrophobicContact CD2-CD1 3.82Å; W492-L518 HydrophobicContact CE3-CB 4.16Å; W492-L518 HydrophobicContact CE3-CD1 3.76Å; W492-L518 HydrophobicContact CH2-CD1 3.86Å; W492-L518 HydrophobicContact CZ2-CD1 3.9Å; W492-L518 HydrophobicContact CZ3-CB 4.07Å; W492-L518 HydrophobicContact CZ3-CD1 3.78Å; W492-L518 HydrophobicContact CZ3-CG 4.49Å; K516-L518 VanDerWaalsContact C-N 3.32Å; K516-L518 WeakPolarHBondContact CB-O 3.34Å; L518-F520 WeakPolarHBondContact CD1-O 3.32Å; L518-H521 HydrophobicContact CD2-CB 4.33Å
519L70Confident48.3Very low56 Ų56100.5 Ų100.529%0.29353%0.531SS..EExtended strand (participates in β ladder)trans-85-53.7176.4-57.9173.9000110I479 L491 N493I479-L519 HydrophobicContact CG1-CD1 4.35Å; L491-L519 HydrophobicContact CB-CB 4.16Å; L491-L519 WeakPolarHBondContact O-CB 3.43Å; L491-L519 PolarHBondContact O-N 2.9Å; N493-L519 HydrophobicContact CB-CD1 4.35Å; N493-L519 HydrophobicContact CB-CD2 4.31Å; N493-L519 HydrophobicContact CB-CG 4.36Å
520F71.2Confident47.8Very low43 Ų4399.4 Ų99.419%0.18953%0.525CS..EExtended strand (participates in β ladder)trans-137.9153.9175.9-65.5-70.3000112.6P176 C178 Q490 L491 L518P176-F520 HydrophobicContact CB-CE2 3.81Å; P176-F520 HydrophobicContact CB-CZ 3.66Å; P176-F520 HydrophobicContact CG-CZ 4.1Å; P176-F520 WeakPolarHBondContact O-CZ 3.41Å; C178-F520 HydrophobicContact CB-CB 4.36Å; C178-F520 HydrophobicContact CB-CD1 4.44Å; C178-F520 HydrophobicContact CB-CD2 3.71Å; C178-F520 HydrophobicContact CB-CE2 4.41Å; C178-F520 HydrophobicContact CB-CG 3.81Å; Q490-F520 CarbonylContact C-O 3.46Å; Q490-F520 WeakPolarHBondContact CA-O 3.19Å; L491-F520 HydrophobicContact CB-CB 4.32Å; L491-F520 HydrophobicContact CB-CD2 4.46Å; L491-F520 HydrophobicContact CD1-CD2 4.11Å; L491-F520 PolarHBondContact N-O 2.89Å; L491-F520 PolarHBondContact O-N 3.49Å; L518-F520 WeakPolarHBondContact CD1-O 3.32Å
521H71.2Confident47.6Very low110 Ų110100.9 Ų100.951%0.50953%0.531SS..EExtended strand (participates in β ladder)trans-134.4147.9151.368.979.8000109.7F489 Q490 L518F489-H521 CarbonylContact O-C 3.41Å; F489-H521 VanDerWaalsContact O-CA 3.25Å; F489-H521 WeakPolarHBondContact O-CA 3.05Å; Q490-H521 HydrophobicContact CG-CB 3.9Å; L518-H521 HydrophobicContact CD2-CB 4.33Å
522Y66.9Low47.3Very low36 Ų3698.5 Ų98.514%0.14152%0.524CS..EExtended strand (participates in β ladder)trans-119.5152.1161.6-73.9-62.8000109.8I137 W168 C178 R488 F489I137-Y522 HydrophobicContact CB-CD1 3.98Å; I137-Y522 HydrophobicContact CB-CE1 3.73Å; I137-Y522 HydrophobicContact CD1-CE1 4.37Å; I137-Y522 HydrophobicContact CG1-CE1 4.12Å; I137-Y522 WeakPolarHBondContact O-CD1 3.44Å; W168-Y522 AromaticContact CE3-CD2 3.9Å; W168-Y522 HydrophobicContact CE3-CD2 3.9Å; W168-Y522 HydrophobicContact CE3-CE2 4.05Å; W168-Y522 HydrophobicContact CH2-CD2 4.09Å; W168-Y522 HydrophobicContact CH2-CG 4.27Å; W168-Y522 AromaticContact CZ3-CD2 3.4Å; W168-Y522 HydrophobicContact CZ3-CD2 3.4Å; W168-Y522 AromaticContact CZ3-CE2 3.76Å; W168-Y522 HydrophobicContact CZ3-CE2 3.76Å; W168-Y522 AromaticContact CZ3-CG 3.92Å; W168-Y522 HydrophobicContact CZ3-CG 3.92Å; C178-Y522 HydrophobicContact CB-CE2 4.23Å; C178-Y522 VanDerWaalsContact O-CE2 3.26Å; C178-Y522 WeakPolarHBondContact O-CE2 3.36Å; C178-Y522 PolarHBondContact O-OH 2.96Å; R488-Y522 VanDerWaalsContact CA-O 3.25Å; R488-Y522 WeakPolarHBondContact CA-O 3.29Å; R488-Y522 WeakPolarHBondContact CB-O 3.22Å; F489-Y522 HydrophobicContact CD1-CD2 4.45Å; F489-Y522 PolarHBondContact N-O 3.32Å; F489-Y522 PolarHBondContact O-N 2.94Å
523R58.8Low46.9Very low106 Ų10697.1 Ų97.140%0.452%0.518SS..  trans-151.1143.3-173.5170.5173.6-176.6176.35.5110R488R488-R523 HydrophobicContact CG-CB 4.1Å; R488-R523 HydrophobicContact CG-CG 4.33Å; R488-R523 VanDerWaalsContact NH2-CZ 3.31Å
524F48.2Very low46.2Very low68 Ų6895.2 Ų95.230%0.29852%0.515SS..PPolyproline II helixtrans-85136.1163.3-168.8-95.2000110.6L138 H140 R141L138-F524 HydrophobicContact CB-CD2 4.2Å; L138-F524 HydrophobicContact CD1-CD2 4.22Å; L138-F524 HydrophobicContact CD1-CE2 4.05Å; L138-F524 HydrophobicContact CD2-CD2 4.03Å; L138-F524 HydrophobicContact CD2-CE2 4.48Å; L138-F524 HydrophobicContact CG-CD2 4.39Å; H140-F524 VanDerWaalsContact O-CB 3.24Å; H140-F524 WeakPolarHBondContact O-CB 3.32Å; R141-F524 HydrophobicContact CG-CD2 3.97Å; R141-F524 HydrophobicContact CG-CE2 3.74Å; R141-F524 HydrophobicContact CG-CZ 4.09Å
525P35.8Very low45.2Very low59 Ų5997.9 Ų97.938%0.38353%0.53SS..PPolyproline II helixtrans-67.5140.9-179.628.6-34.5000110.9L138L138-P525 VanDerWaalsContact CD2-CD 3.47Å; L138-P525 HydrophobicContact CD2-CG 4.37Å
526P37.4Very low43.7Very low74 Ų7499.3 Ų99.348%0.48154%0.541SS..PPolyproline II helixtrans-66.9137.6172.830.2-32.9000110.1D528P526-D528 VanDerWaalsContact C-N 3.29Å; P526-D528 PolarHBondContact O-N 3.08Å; P526-D528 VanDerWaalsContact O-N 3.09Å
527G31Very low42.4Very low74 Ų74101.9 Ų101.976%0.76355%0.547SS*.  trans-84.154.6-176.400000114.3L529G527-L529 PolarHBondContact O-N 2.86Å
528D30.2Very low40.2Very low147 Ų147110.2 Ų110.279%0.78658%0.575SS**  trans-76.1103.3173-70.5-33.9000109.7P526 D530P526-D528 VanDerWaalsContact C-N 3.29Å; P526-D528 PolarHBondContact O-N 3.08Å; P526-D528 VanDerWaalsContact O-N 3.09Å; D528-D530 PolarHBondContact O-N 2.89Å
529L26.5Very low37.8Very low152 Ų152116.7 Ų116.780%0.79660%0.601SS**  trans-96.486.7-171.2-151.189.5000111.9G527 I531G527-L529 PolarHBondContact O-N 2.86Å; L529-I531 HydrophobicContact CD2-CG1 4.42Å; L529-I531 PolarHBondContact O-N 2.91Å
530D25.3Very low35.7Very low125 Ų125121.7 Ų121.767%0.66863%0.628SS**  trans-83.395.2179.5-163.82.9000111.5D528 I532D528-D530 PolarHBondContact O-N 2.89Å; D530-I532 PolarHBondContact O-N 2.81Å
531I28.6Very low33.4Very low151 Ų151126.2 Ų126.277%0.77465%0.654SS**THydrogen-bonded Turntrans-61.8-14.9-163.9-68.3169.4000114.3L529L529-I531 HydrophobicContact CD2-CG1 4.42Å; L529-I531 PolarHBondContact O-N 2.91Å
532I28Very low31.3Very low149 Ų149124.6 Ų124.676%0.76465%0.653SS**THydrogen-bonded Turntrans-92.1-8.6-166.6-62.9177.2000113.9D530D530-I532 PolarHBondContact O-N 2.81Å
533Q25.5Very low29.3Very low135 Ų135129.2 Ų129.263%0.63169%0.688SS**SBendtrans-130.1112.3179.3-72178.257.300113.4L535Q533-L535 PolarHBondContact O-N 3.34Å
534G24Very low27.8Very low71 Ų71130 Ų13073%0.73270%0.7SS**  trans-68122.418000000113.9V536G534-V536 PolarHBondContact O-N 3.22Å; G534-V536 VanDerWaalsContact O-N 3.12Å
535L23.7Very low26.8Very low167 Ų167133.4 Ų133.487%0.87472%0.721SS**SBendtrans39.551.6160.6-75.9169.1000117Q533Q533-L535 PolarHBondContact O-N 3.34Å
536V20.7Very low26.2Very low120 Ų120138 Ų13873%0.72774%0.737SS**  trans-129.2100.7160.3-178.80000109.3G534 R538G534-V536 PolarHBondContact O-N 3.22Å; G534-V536 VanDerWaalsContact O-N 3.12Å; V536-R538 PolarHBondContact O-N 3.06Å
537W26.9Very low25.6Very low219 Ų219139.8 Ų139.883%0.8375%0.749SS**  trans-63.8107.9168.9-65.498.7000109.3
538R21.4Very low25.3Very low205 Ų205143.3 Ų143.377%0.77475%0.749SS**  trans-73.5126.9164.2-80.6-171.7174.3173.53.6108.7V536 D540V536-R538 PolarHBondContact O-N 3.06Å; R538-D540 PolarHBondContact O-N 3.47Å; R538-D540 VanDerWaalsContact O-N 3.17Å
539F23.1Very low24.9Very low184 Ų184148.1 Ų148.181%0.80776%0.757SS**  trans-62.2113.2154.9-74.8-93.1000107.9N541F539-N541 PolarHBondContact O-N 2.97Å; F539-N541 VanDerWaalsContact O-N 3.1Å
540D25.7Very low24.8Very low160 Ų160145.6 Ų145.686%0.85675%0.752SS**  trans-63.4109.5155.5-91.9-21.3000107.2R538R538-D540 PolarHBondContact O-N 3.47Å; R538-D540 VanDerWaalsContact O-N 3.17Å
541N23.6Very low24.7Very low138 Ų138142.9 Ų142.974%0.73875%0.753SS**  trans-56.4152.3168.5-73.8-60.4000109.4F539F539-N541 PolarHBondContact O-N 2.97Å; F539-N541 VanDerWaalsContact O-N 3.1Å
542P26.4Very low24.5Very low76 Ų76140 Ų14049%0.49475%0.751SS.*  trans-54.5159.116926.7-36.5000110.9D544P542-D544 HydrophobicContact CG-CB 4.4Å; P542-D544 WeakPolarHBondContact CG-OD2 3.36Å; P542-D544 PolarHBondContact O-N 2.8Å
543P25Very low24.3Very low134 Ų134139.8 Ų139.887%0.8775%0.752SS**  trans-7352.7177.332.5-36.9000112.6D545P543-D545 VanDerWaalsContact C-N 3.31Å; P543-D545 PolarHBondContact O-N 2.63Å
544D26.4Very low24.2Very low121 Ų121139.2 Ų139.265%0.64776%0.758SS**  trans-81.370.4-176.4-77.2-2.7000111.8P542P542-D544 HydrophobicContact CG-CB 4.4Å; P542-D544 WeakPolarHBondContact CG-OD2 3.36Å; P542-D544 PolarHBondContact O-N 2.8Å
545D27.2Very low24.2Very low140 Ų140141.6 Ų141.675%0.74976%0.758SS**  trans-84.9105.7137.4-104-22.6000106.7P543P543-D545 VanDerWaalsContact C-N 3.31Å; P543-D545 PolarHBondContact O-N 2.63Å
546Q23.9Very low24.1Very low155 Ų155139.5 Ų139.572%0.72475%0.753SS**  cis-153.7165.24.5-83.1-161.8-5.700110.7
547P25.3Very low24.3Very low113 Ų113139.7 Ų139.773%0.73475%0.754SS**  trans-78174-166.731.4-39.1000116.1
548I23.6Very low24.1Very low148 Ų148133.8 Ų133.876%0.75975%0.746SS**  trans-38.7139.4164-62.7157.1000112.2
549W23.3Very low24.3Very low248 Ų248132.5 Ų132.594%0.93974%0.741SS**  -143.7128.9129.5-120.860.2000109.4
550S22.8Very low24.4Very low99 Ų99130.5 Ų130.569%0.69273%0.728SS**  trans-78152.3165.149.90000110.1
551G24.5Very low24.4Very low68 Ų68127.7 Ų127.770%0.70172%0.717SS**SBendtrans96.699.5165.900000115.8
552A24.5Very low24.3Very low89 Ų89125.7 Ų125.774%0.73671%0.71SS**  trans44122.6147.200000121.6
553N23.3Very low24.3Very low145 Ų145132.1 Ų132.178%0.77572%0.724SS**  trans66.3111.5140.9-60.9-12.5000121
554T22.9Very low24.2Very low124 Ų124130.9 Ų130.976%0.76171%0.711SS**  trans75.6130.4137.947.90000122.4
555T23.2Very low24Very low121 Ų121131.7 Ų131.774%0.74272%0.715SS**  trans76.6100.9144.844.60000122.9
556T22.7Very low23.8Very low122 Ų122131 Ų13175%0.74871%0.71SS**  78.8111.712553.80000124.4
557V24.3Very low23.8Very low125 Ų125131 Ų13176%0.75871%0.711SS**  79.5109.8126.4-178.60000120.9
558S24.1Very low23.7Very low95 Ų95133.4 Ų133.466%0.66472%0.716SS**  trans-1.6152.5149.474.20000120.6
559R24.3Very low23.7Very low178 Ų178131.9 Ų131.967%0.67272%0.719SS**  cis-179.4138.545.2-152.1172.7-173-165.8-2114.1
560R24.6Very low23.6Very low141 Ų141124.8 Ų124.853%0.53271%0.713SS.*  trans48.5118.5150.3-79.2177.1155.8-140.8-18.6122.5E1944 I1945R560-E1944 IonicContact CZ-OE1 3.92Å; R560-E1944 IonicContact NH1-OE1 2.64Å; R560-E1944 PolarHBondContact NH1-OE1 3.36Å; R560-E1944 IonicContact NH2-OE1 3.38Å; R560-E1944 PolarHBondContact NH2-OE1 3.36Å; R560-I1945 HydrophobicContact CB-CD1 3.96Å; R560-I1945 HydrophobicContact CG-CD1 4.2Å
561T25.7Very low23.6Very low102 Ų102125.4 Ų125.463%0.62672%0.717SS**  trans67.4146.3139.8640000120I1945T561-I1945 HydrophobicContact CG2-CD1 3.66Å; T561-I1945 WeakPolarHBondContact OG1-CD1 3.42Å
562T22.9Very low23.8Very low96 Ų96129.3 Ų129.359%0.58972%0.722SS**  cis-135.2-179.1963.40000113.6K1943T562-K1943 HydrophobicContact CG2-CD 4.14Å
563R24.9Very low24.5Very low210 Ų210130.4 Ų130.479%0.79272%0.722SS**  trans-40.8158.1153.3-63.5-175.7163.8123.5-5.6112.6
564D22.9Very low24.7Very low109 Ų109128 Ų12858%0.58372%0.717SS**  cis-156154.544.4-72.2-77.4000114.4
565N24.1Very low25.2Very low137 Ų137129.2 Ų129.273%0.73372%0.718SS**  trans60.6148.4145.4-63.8-11.7000121.5
566L22.7Very low25.4Very low126 Ų126131.6 Ų131.666%0.6672%0.72SS**  cis-161.8163.7-6-112.4167.7000110.5
567Q23Very low25.5Very low156 Ų156131.8 Ų131.873%0.72972%0.716SS**  trans32.9125.7153.6-78.1159.1-21.500121.1
568L23.9Very low25.7Very low163 Ų163133.4 Ų133.485%0.85372%0.718SS**  cis102.4104.244.9-88.4164.2000114.5
569S22.2Very low25.8Very low116 Ų116134.9 Ų134.981%0.81172%0.719SS**  trans-176.2127.3154.720.30000108.1
570A22.8Very low26Very low98 Ų98134.3 Ų134.381%0.8173%0.728SS**  70.1137.985.400000113.9
571S22.4Very low26.2Very low113 Ų113134.8 Ų134.879%0.7974%0.74SS**  cis-164.8179.51.645.20000112.3
572D29.1Very low26.3Very low149 Ų149135.6 Ų135.680%0.79775%0.746SS**  trans-74.1-161.2-179.5-39.2-99.7000114.4
573P37.7Very low26.3Very low112 Ų112136.6 Ų136.673%0.72775%0.747SS**  cis-144.8176.8-8.439.7-17.9000119.4
574S28.4Very low26.3Very low96 Ų96133.5 Ų133.567%0.67175%0.747SS**  trans51.3135.3142.663.10000126.6
575N32.9Very low26.3Very low149 Ų149132.7 Ų132.780%0.79776%0.755SS**  -179.3127.9130-99.3-25.6000119.4
576H27.1Very low26.5Very low170 Ų170133.3 Ų133.379%0.78776%0.764SS**  trans54.2174.1146.6-79.4-73.6000127.2
577I24.9Very low26.5Very low126 Ų126134.8 Ų134.865%0.64677%0.773SS**  trans-143.4150-139.2-60.1154.2000112.6D579I577-D579 WeakPolarHBondContact CG2-OD2 3.17Å
578I28.6Very low26.6Very low159 Ų159134.6 Ų134.682%0.81578%0.775SS**  trans152.9146.6143.5-85.5166.2000111
579D26.4Very low26.6Very low126 Ų126131.8 Ų131.867%0.67476%0.764SS**  cis-174.3-157.2-43.6-112.4-57.5000108.3I577I577-D579 WeakPolarHBondContact CG2-OD2 3.17Å
580L29Very low26.7Very low166 Ų166134.4 Ų134.487%0.86976%0.762SS**  trans110.5-168.5162.4-56174.4000118.7
581L27.6Very low26.6Very low151 Ų151132.6 Ų132.679%0.79174%0.743SS**  trans-82.8147.9-159.6-65.5168000113.8
582T27.8Very low26.7Very low120 Ų120130.4 Ų130.474%0.73673%0.728SS**SBendcis-135.7149.21.951.30000109.7
583D24.2Very low26.6Very low117 Ų117127.8 Ų127.863%0.62672%0.721SS**  cis-159.1159.1-4.9-107.5-5.9000111.3
584N23.8Very low25.9Very low145 Ų145129.2 Ų129.278%0.77572%0.723SS**  trans67.763.6160.9-63.3-40.9000119.6
585A24Very low25.7Very low91 Ų91129.7 Ų129.775%0.75272%0.718SS**  54110.3117.600000121
586T28.2Very low25.7Very low151 Ų151132.6 Ų132.693%0.92672%0.719SS**  -15996.4126.520000110.8
587N22.1Very low25.6Very low157 Ų157128.1 Ų128.184%0.8471%0.711SS**  trans-150.7120.5177.9-136.5-3.5000107.2
588I25.9Very low25.7Very low151 Ų151128.4 Ų128.477%0.77471%0.714SS**  trans-176.3114.1165.6-105.5156.1000110.8
589T23.3Very low25.5Very low104 Ų104127.9 Ų127.964%0.63871%0.713SS**  trans48.6162.2138.8750000122.4
590F23.7Very low25.5Very low172 Ų172126.6 Ų126.675%0.75471%0.714SS**  cis-147.5-176.1-17.4-120-47.2000109.1
591S21.5Very low25.4Very low59 Ų59124.1 Ų124.141%0.41371%0.711SS.*  trans-126144.3179.248.80000112.7
592S23.8Very low25.3Very low68 Ų68121.7 Ų121.748%0.47671%0.706SS.*  trans56.4131.8140.362.70000121.7
593S27Very low25.4Very low93 Ų93123.1 Ų123.165%0.6570%0.704SS**  trans61.6122.9135.562.90000121
594N24.4Very low25.5Very low143 Ų143128 Ų12877%0.76571%0.714SS**  trans175.9156.3136.3-92.6-14.9000108.9
595N24.2Very low25.6Very low106 Ų106126.2 Ų126.257%0.56771%0.708SS**  cis-159.2-174.90.7-131.4-26.5000112.6
596Y31.5Very low25.6Very low210 Ų210130.4 Ų130.482%0.82472%0.717SS**  trans90.4149.9157.5-57-68.2000120.2
597A26.5Very low25.4Very low76 Ų76127.8 Ų127.863%0.62870%0.701SS**  179.4173.4-68.900000113
598N26.4Very low25.4Very low132 Ų132128.7 Ų128.771%0.70670%0.7SS**  trans88.5127.1148.9-69.1-12.2000122.8
599N24.6Very low25.2Very low147 Ų147126.3 Ų126.379%0.78670%0.697SS**  trans72.8141.2139.5-61.6-7.4000119.4
600S26.3Very low25.2Very low99 Ų99133 Ų13369%0.69271%0.71SS**  cis-167163.93.440.50000112.5
601S25.6Very low25.1Very low115 Ų115129.8 Ų129.880%0.80471%0.71SS**  trans63.8145.8162.656.40000118.7
602S25.6Very low25.4Very low99 Ų99135.1 Ų135.169%0.69273%0.728SS**  cis-162.9166.4-1150.10000112.6
603H30.6Very low25.3Very low151 Ų151138.2 Ų138.270%0.69974%0.738SS**  trans79.4104.4165.7-69.6-70.5000122.1
604R26.5Very low25.1Very low219 Ų219139.2 Ų139.283%0.82674%0.736SS**  trans68.7141.1136.2-62.4-174.6173.9166.2-1.8118.4
605T25.4Very low25.2Very low108 Ų108140.2 Ų140.266%0.66374%0.736SS**  cis-156.2144.5-74.50000110.1T607T605-T607 HydrophobicContact CG2-CG2 4.36Å
606L23.7Very low25.2Very low178 Ų178141 Ų14193%0.93275%0.745SS**  trans-100.1107.5153.9-110173.1000107.5
607T25.3Very low24.9Very low97 Ų97135 Ų13560%0.59574%0.739SS**  trans-149.4124.6169.444.10000110T605T605-T607 HydrophobicContact CG2-CG2 4.36Å
608E21.7Very low24.9Very low175 Ų175137 Ų13782%0.81874%0.744SS**  trans40.2102.5138.9-60.6172.1164.600117.1
609S20.9Very low24.7Very low101 Ų101141.2 Ų141.271%0.70675%0.749SS**  66.8123.158.891.90000115.2
610R23.9Very low24.6Very low244 Ų244139 Ų13992%0.92174%0.741SS**  trans38.3104145.6-65.8175.6169.5168.3-4.2117.3
611S22.4Very low24.4Very low106 Ų106137.2 Ų137.274%0.74173%0.729SS**  -153.1153.8115.766.40000111.4
612Q26.2Very low24.3Very low171 Ų171136.9 Ų136.980%0.79973%0.727SS**  trans63.7136.8166.1-45.7-155.119.600118.9
613L23Very low24.2Very low132 Ų132140.4 Ų140.469%0.69174%0.737SS**  cis-171.6152.4-35.5-113.1159.5000106.1
614N22.9Very low23.8Very low114 Ų114137.8 Ų137.861%0.6174%0.736SS**  trans36.7131.9148.9-67.91.4000122.6
615H25.1Very low23.7Very low164 Ų164134.4 Ų134.476%0.75973%0.734SS**  trans73.8141153.6-51.5-37.5000116
616T25.8Very low23.6Very low123 Ų123136.2 Ų136.276%0.75575%0.745SS**  cis-157.2154.20.9-3.20000110.6
617A24.9Very low23.6Very low83 Ų83137.7 Ų137.769%0.68674%0.744SS**  trans56.9145.313900000120.6
618T25.7Very low23.4Very low120 Ų120142.1 Ų142.174%0.73676%0.76SS**  cis-164.5145-7.413.20000110.8
619R22.7Very low23.4Very low219 Ų219142.8 Ų142.883%0.82676%0.763SS**  trans51.8127.1137.3-72.8-177.1173.2173.40.6122.9
620T22.3Very low23.5Very low100 Ų100149.2 Ų149.261%0.61377%0.772SS**  71.7102.6127.962.60000121.8
621S21.9Very low23.4Very low62 Ų62145.4 Ų145.443%0.43477%0.768SS.*  55.2104.6121.964.70000121.6S1938 S1939S621-S1938 PolarHBondContact O-OG 3.1Å; S621-S1938 PolarHBondContact OG-OG 2.74Å; S621-S1939 PolarHBondContact OG-OG 2.99Å
622S23.9Very low23.5Very low109 Ų109146.6 Ų146.676%0.76277%0.771SS**  -154.3125.4112.443.80000112.5
623L22.8Very low23.3Very low172 Ų172143.1 Ų143.190%0.90177%0.772SS**  trans-75.4142.3137.7-87.867.6000105
624S23Very low23.4Very low97 Ų97142.7 Ų142.768%0.67878%0.778SS**  -143.2175.761.255.10000115.4
625N23.8Very low23.3Very low148 Ų148147.9 Ų147.979%0.79179%0.789SS**  trans66.476.5159-61.7-1.3000118.2
626T24.8Very low23.2Very low145 Ų145144.6 Ų144.689%0.8978%0.781SS**  -91.4124.712938.10000108.3
627K22Very low23Very low210 Ų210145.2 Ų145.291%0.91378%0.778SS**  trans-73.2133168.7-76.9-175175.4-176.80108.6
628M22.5Very low23.1Very low189 Ų189146 Ų14693%0.93178%0.776SS**  trans-147.7134.8157.7-117.5-172.6178.900110.4
629Q22.1Very low23Very low190 Ų190146.3 Ų146.389%0.88878%0.778SS**  trans-70.6143.6174.8-61.8150.8-57.900110
630R22.3Very low23.2Very low235 Ų235143.8 Ų143.889%0.88778%0.779SS**  trans-142.3113.7156.6-80.1-160.2167.5171.5-3112.1
631I21.6Very low23.4Very low165 Ų165147.8 Ų147.885%0.84679%0.791SS**  trans-73.5140.1157.5-59.3160.3000107.6
632T24.7Very low23.6Very low131 Ų131148.9 Ų148.980%0.80481%0.812SS**  trans-147.4116.7158.938.60000110.5
633A22.8Very low23.7Very low97 Ų97147.3 Ų147.380%0.80280%0.798SS**  trans-80.8170.3166.100000111.5
634C23.8Very low23.9Very low123 Ų123142.5 Ų142.583%0.83179%0.79SS**  trans-68.6161.2-179.1-62.10000113.8
635R20.7Very low24.1Very low223 Ų223145.4 Ų145.484%0.84279%0.79SS**  trans-144.2133.5163.8-171.1174.2-175.3162.93.9110.5
636V23.4Very low24.1Very low95 Ų95144.5 Ų144.558%0.57679%0.785SS**  trans-129.7153.1177.3-173.90000109.2F645V636-F645 HydrophobicContact CB-CD1 4.49Å; V636-F645 HydrophobicContact CB-CE1 4.14Å; V636-F645 HydrophobicContact CG1-CD1 4.36Å; V636-F645 HydrophobicContact CG1-CE1 3.89Å; V636-F645 HydrophobicContact CG2-CD1 4.31Å; V636-F645 HydrophobicContact CG2-CE1 4.45Å
637I21.2Very low24.2Very low137 Ų137143.8 Ų143.870%0.70378%0.78SS**  trans-137.2136171.9-62.6-177.9000106.8
638P26.9Very low24.5Very low99 Ų99139.6 Ų139.664%0.64377%0.771SS**  trans-92.3161.7-16336-37.6000114.9V643P638-V643 HydrophobicContact CB-CG2 4.32Å
639T24.1Very low24.9Very low126 Ų126134.5 Ų134.577%0.77375%0.751SS**  trans-133.1158.4156.548.10000109.9
640I25.8Very low25.1Very low167 Ų167136 Ų13686%0.85676%0.755SS**SBendtrans-52.9152.6-170.8-65156.1000113.3
641E27Very low25.4Very low184 Ų184129.6 Ų129.686%0.8675%0.746SS**SBendtrans76.494.7-171.2-67.4179.7-173.300116.1
642G26.2Very low25.7Very low85 Ų85123.7 Ų123.788%0.87673%0.726SS**  trans5968.3150.600000118.1G644G642-G644 PolarHBondContact O-N 3.12Å
643V26.4Very low25.8Very low76 Ų76123.5 Ų123.546%0.46172%0.724SS.*  trans-84.4115-176.2-1730000112.9P638 F645P638-V643 HydrophobicContact CB-CG2 4.32Å; V643-F645 HydrophobicContact CG1-CD1 4.11Å; V643-F645 HydrophobicContact CG1-CE1 3.48Å; V643-F645 VanDerWaalsContact CG1-CE1 3.48Å; V643-F645 HydrophobicContact CG1-CE2 4.26Å; V643-F645 HydrophobicContact CG1-CZ 3.57Å
644G26Very low26.2Very low71 Ų71126.4 Ų126.473%0.73272%0.723SS**  trans-108.2146.4161.300000111.5G642G642-G644 PolarHBondContact O-N 3.12Å
645F27.5Very low26.3Very low157 Ų157124.4 Ų124.469%0.68971%0.71SS**  trans-105.4153.5-177.2-54.6-74.4000112.3V636 V643V636-F645 HydrophobicContact CB-CD1 4.49Å; V636-F645 HydrophobicContact CB-CE1 4.14Å; V636-F645 HydrophobicContact CG1-CD1 4.36Å; V636-F645 HydrophobicContact CG1-CE1 3.89Å; V636-F645 HydrophobicContact CG2-CD1 4.31Å; V636-F645 HydrophobicContact CG2-CE1 4.45Å; V643-F645 HydrophobicContact CG1-CD1 4.11Å; V643-F645 HydrophobicContact CG1-CE1 3.48Å; V643-F645 VanDerWaalsContact CG1-CE1 3.48Å; V643-F645 HydrophobicContact CG1-CE2 4.26Å; V643-F645 HydrophobicContact CG1-CZ 3.57Å
646L25.4Very low26.5Very low129 Ų129121.7 Ų121.768%0.67571%0.712SS**  trans-128.1128.6-167.7-177.8148.3000111.1F135 V648F135-L646 HydrophobicContact CE1-CD1 4.41Å; L646-V648 HydrophobicContact CD2-CG2 3.75Å
647V25.8Very low26.8Very low130 Ų130125 Ų12579%0.78872%0.719SS**  trans-132.2142.7174.7-178.60000108.1
648V28.9Very low27.1Very low122 Ų122122.8 Ų122.874%0.73972%0.716SS**  trans-134.1129.8-175.9179.60000109.6L646L646-V648 HydrophobicContact CD2-CG2 3.75Å
649T31.1Very low27.1Very low83 Ų83123.6 Ų123.651%0.50972%0.721SS.*  trans-116.6167.7168.959.30000110.3S651T649-S651 VanDerWaalsContact C-N 3.31Å; T649-S651 PolarHBondContact O-N 3.38Å
650K26.2Very low27.3Very low221 Ų221120 Ų12096%0.96170%0.703SS**SBendtrans-77.3-9.6-163.3-150.4-179.1178.9-169.50114.9
651S27.3Very low27.4Very low100 Ų100118.6 Ų118.670%0.69970%0.698SS**SBendtrans-110.5-18.7-168.943.70000115.5T649T649-S651 VanDerWaalsContact C-N 3.31Å; T649-S651 PolarHBondContact O-N 3.38Å
652G28.1Very low27.3Very low41 Ų41117 Ų11742%0.42369%0.69SS.*  trans72.878.8154.800000119.2
653V28.2Very low27.4Very low128 Ų128117.8 Ų117.878%0.77668%0.682SS**  trans-115.4152.1154.7178.80000109
654M29.7Very low27.4Very low158 Ų158120.5 Ų120.578%0.77870%0.699SS**  trans-127135.7-179.3-66.5174.465.700110.4
655S25.6Very low27.4Very low80 Ų80123.8 Ų123.856%0.55971%0.706SS**  trans-138.1150.2157.8-171.10000108.8
656L25.6Very low27.3Very low167 Ų167122.5 Ų122.587%0.87471%0.711SS**  trans-120.9122.3179.4-175.385.4000107.8
657F29.3Very low27.3Very low164 Ų164124 Ų12472%0.71972%0.719SS**  trans-107.6131.9178.1-65.7-77.2000110.8
658S27.3Very low27.4Very low91 Ų91122.1 Ų122.164%0.63671%0.712SS**  trans-117.9124.8167.2-171.40000108.2
659P28.5Very low27.1Very low115 Ų115122 Ų12275%0.74772%0.717SS**  trans-65.9150.915931.3-32.5000108.6
660A27.5Very low26.8Very low50 Ų50124.6 Ų124.641%0.41374%0.737SS.*  trans-115.4124.6172.900000109.3E662 T886A660-E662 PolarHBondContact O-N 3.17Å; A660-T886 HydrophobicContact CB-CG2 3.93Å
661D27.6Very low26.6Very low139 Ų139123.1 Ų123.174%0.74373%0.73SS**  trans-70.5128.6-179.8-60.9-59000111.9K888D661-K888 PolarHBondContact O-NZ 3.06Å
662E25.6Very low26.5Very low150 Ų150128 Ų12870%0.70174%0.735SS**  trans-137.196.8133.3-65-157.9160.200107.3A660 K888A660-E662 PolarHBondContact O-N 3.17Å; E662-K888 VanDerWaalsContact CD-NZ 3.33Å; E662-K888 WeakPolarHBondContact OE1-CE 3.22Å; E662-K888 IonicContact OE1-NZ 3.25Å; E662-K888 PolarHBondContact OE1-NZ 2.69Å
663S28.8Very low26.3Very low101 Ų101132.7 Ų132.771%0.70675%0.75SS**  68.3102.176.375.70000113.3
664T25Very low26Very low133 Ų133134.3 Ų134.382%0.81675%0.753SS**  trans-124.8118.8161.4420000110
665T25.6Very low25.7Very low141 Ų141132.4 Ų132.487%0.86575%0.752SS**  trans-64.6141162.642.80000109.4
666T25.5Very low25.6Very low130 Ų130133.4 Ų133.480%0.79877%0.765SS**  trans-140.3127.9157.951.30000110.2
667D26.8Very low25.5Very low159 Ų159130.2 Ų130.285%0.8576%0.757SS**  trans-147.5143.2153.9-139-15.3000108.6
668S26.3Very low25.4Very low92 Ų92126.8 Ų126.864%0.64375%0.754SS**  -150.6136.7-77.652.70000110.7
669S24.3Very low25.2Very low120 Ų120129.4 Ų129.484%0.83977%0.765SS**  trans-179.584.515942.20000114.6
670C24.2Very low25Very low137 Ų137129.5 Ų129.593%0.92676%0.759SS**  trans-166.5126.3146.9-100.60000108.3
671K22Very low24.9Very low189 Ų189133.2 Ų133.282%0.82277%0.768SS**  trans-98.2132.8178.8-67.4-178.9178.1179.80110
672Y24.1Very low24.7Very low202 Ų202134.2 Ų134.279%0.79277%0.769SS**  -176.4130.8108.6-94.3-67.6000111.3
673D24.1Very low24.6Very low140 Ų140136 Ų13675%0.74977%0.774SS**  trans43.897.8151.5-52.2-14.5000120.4
674I21.8Very low24.4Very low163 Ų163137.6 Ų137.684%0.83677%0.774SS**  trans-109.1114.2158.3-60171.2000108.7
675P24.8Very low24.4Very low117 Ų117138.2 Ų138.276%0.7677%0.767SS**  trans-84.2121.616131.9-28.7000109.7
676A22.6Very low24.4Very low101 Ų101141.2 Ų141.284%0.83576%0.763SS**  trans-89126.3173.600000110.9
677S24.8Very low24.2Very low101 Ų101142.2 Ų142.271%0.70676%0.759SS**  trans-151.313017357.50000112.8
678S25.5Very low24.1Very low92 Ų92141.9 Ų141.964%0.64376%0.756SS**  trans41.5107.5151.4520000119.2D680S678-D680 PolarHBondContact O-N 2.91Å
679V24Very low24.1Very low146 Ų146143.7 Ų143.789%0.88576%0.758SS**  trans-77.5103.5145.5177.40000107.3
680D23.5Very low24.1Very low116 Ų116144.7 Ų144.762%0.6276%0.76SS**  trans-96.7133.9162.8-88.4-55.8000109.3S678S678-D680 PolarHBondContact O-N 2.91Å
681E25.1Very low24.1Very low128 Ų128142.2 Ų142.260%0.59875%0.749SS**  trans155.281.5158.2-91.3172.1-149.200107.2
682Q24.6Very low24.2Very low161 Ų161142.5 Ų142.575%0.75275%0.754SS**  63.986.382.8-61.8-175.126.900113.4
683F23.6Very low24.2Very low187 Ų187143.4 Ų143.482%0.8276%0.756SS**  trans-89.6112155.9-87-84.8000109.4
684L24Very low24.2Very low134 Ų134148 Ų14870%0.70276%0.763SS**  trans-91.2110.6168.4-110.3162.1000109.2
685H25.3Very low24.2Very low146 Ų146147.8 Ų147.868%0.67676%0.758SS**  trans-100.8120.8173.6-156.9-49.3000106.9
686W24.5Very low24.3Very low205 Ų205148.5 Ų148.578%0.77776%0.76SS**  trans-119124.1171.2-81.3-5.6000110.4
687E22.3Very low24.4Very low151 Ų151149.2 Ų149.271%0.70675%0.754SS**  trans-110.5151.7147.2-69.7-179.6149.200105.7
688L24.8Very low24.4Very low152 Ų152149.5 Ų149.580%0.79675%0.753SS**  trans64.9108.3-179.8-73.755.9000116.1
689D25.8Very low24.4Very low129 Ų129152.2 Ų152.269%0.6976%0.761SS**  -84.1146.2120-85.5-51.7000107
690T24.9Very low24.6Very low141 Ų141150.4 Ų150.487%0.86575%0.752SS**  cis-124135.633.744.70000114.6
691A24.1Very low24.8Very low86 Ų86150 Ų15071%0.71176%0.758SS**  trans-135.4135.5154.200000108.9
692E24.4Very low25Very low194 Ų194150.6 Ų150.691%0.90777%0.765SS**  trans-62.9145.6-169.9-63.1171.9108.600113.8R694E692-R694 PolarHBondContact O-N 2.78Å
693W23Very low25Very low221 Ų221148.5 Ų148.584%0.83776%0.759SS**  trans-56.4128.4169.9-84.254.7000111.8E695W693-E695 HydrophobicContact CE3-CG 3.9Å; W693-E695 HydrophobicContact CZ3-CG 4.04Å
694R24.2Very low25.1Very low237 Ų237145.2 Ų145.289%0.89475%0.75SS**  trans-130.496.7151-81.6-166.1173.6-164.2-2.5110.1E692 V696E692-R694 PolarHBondContact O-N 2.78Å; R694-V696 PolarHBondContact O-N 2.71Å
695E23.1Very low25.2Very low159 Ų159144.2 Ų144.274%0.74375%0.746SS**  trans-58.9127.6156.8-64.2179.1118.900109.3W693W693-E695 HydrophobicContact CE3-CG 3.9Å; W693-E695 HydrophobicContact CZ3-CG 4.04Å
696V25.2Very low25.3Very low131 Ų131142.8 Ų142.879%0.79474%0.743SS**  trans-13397.3144.5-177.50000107.3R694R694-V696 PolarHBondContact O-N 2.71Å
697V26.5Very low25.3Very low117 Ų117139 Ų13971%0.70974%0.738SS**  trans26.4112.3136.2-176.50000116
698P24.7Very low25.4Very low106 Ų106138 Ų13869%0.68874%0.738SS**  trans-73175.3165.834.2-35.7000111.8
699D23.9Very low25.5Very low150 Ų150136 Ų13680%0.80274%0.736SS**  trans72.1152.4173-66.4-16.5000118
700P29.7Very low25.6Very low108 Ų108137.2 Ų137.270%0.70174%0.742SS**  cis-138.6-177.8-35.738-22.3000113.6
701S26.9Very low25.6Very low107 Ų107139.6 Ų139.675%0.74874%0.741SS**  trans69.1153.2170.181.90000116.3
702N28.4Very low25.7Very low141 Ų141141.9 Ų141.975%0.75474%0.742SS**  cis-136.6122.5-19.6-118.4-3.1000104.3
703N25Very low25.8Very low117 Ų117136.9 Ų136.963%0.62673%0.728SS**  56.8127.165.6-151.818000112.1
704N26.3Very low25.9Very low117 Ų117135.4 Ų135.463%0.62673%0.73SS**  trans73.3144.5155.6-73.3-14000117.9
705N26.2Very low26Very low114 Ų114129.1 Ų129.161%0.6172%0.718SS**  cis-165.2178.67.6-134.1-18.2000116.6
706N26.7Very low26.2Very low116 Ų116128 Ų12862%0.6272%0.716SS**  trans81.3141.5138.9-78.2-1.3000120.5
707N25.7Very low26.1Very low124 Ų124131.2 Ų131.266%0.66371%0.714SS**  cis-160.1174.8-18.7-137.4-11.6000114.4
708N24.6Very low26.1Very low132 Ų132130.2 Ų130.271%0.70670%0.703SS**  trans-44.2160.1157.6-67.8-49.7000115.2
709S25.8Very low26.1Very low109 Ų109136.1 Ų136.176%0.76271%0.714SS**SBendtrans55.994155.9570000118.4
710N28.6Very low26.1Very low154 Ų154135.3 Ų135.382%0.82471%0.705SS**SBendtrans44.482.9145.1-64.1-4000119
711F25.5Very low25.8Very low191 Ų191135.2 Ų135.284%0.83870%0.699SS**  trans49.8123142.7-78.8-80.6000121.8
712N25.7Very low25.8Very low135 Ų135136.5 Ų136.572%0.72270%0.702SS**  trans88.591.7144.2-66.2-13.2000121.3
713S25.3Very low25.5Very low89 Ų89135.9 Ų135.962%0.62270%0.698SS**  7996.4113.270.10000121.6
714H26.7Very low25.4Very low190 Ų190138.8 Ų138.888%0.8871%0.708SS**  trans-161.6112131.3-99.7-80.9000105.5
715V24.9Very low25.4Very low105 Ų105137.8 Ų137.864%0.63672%0.716SS**  cis80.7126.924.5-160.90000114
716L27.4Very low25.3Very low135 Ų135140.9 Ų140.971%0.70773%0.731SS**  trans82.8141.3177.8-45.5-175.8000116.1
717R24.4Very low25.2Very low199 Ų199138.7 Ų138.775%0.75174%0.736SS**  cis-169.9154.5-12.9-119177173179.7-0.1111.5
718I25.7Very low25.1Very low95 Ų95138.6 Ų138.649%0.48775%0.745SS.*  trans52.3124.5139-68.8169.3000117.1
719Y25.1Very low25.6Very low230 Ų230137.9 Ų137.990%0.90275%0.748SS**  -114.9143.359.1-97.1-89.3000118
720E24.3Very low25.6Very low134 Ų134138.6 Ų138.663%0.62675%0.75SS**  trans-143.8156.9-172.1-161.3-169.9-121.300107.4
721N23.8Very low25.2Very low106 Ų106135.3 Ų135.357%0.56774%0.744SS**  trans60.9123.8166.5-50.4-48.2000119.8
722T25.8Very low25.1Very low134 Ų134135.1 Ų135.182%0.82275%0.746SS**  179.9119.797.228.40000107.9
723L22.6Very low25.2Very low127 Ų127137.7 Ų137.767%0.66575%0.754SS**  81.2122.556.7-74.4169.5000115.4
724Q23.3Very low25.2Very low179 Ų179138.3 Ų138.384%0.83676%0.758SS**  trans65.292.7143.1-66.9174.7-24.800121.2
725A24.9Very low25.1Very low95 Ų95133.6 Ų133.679%0.78575%0.752SS**  trans-173.5137.4131.200000107.5
726L25.2Very low25.2Very low179 Ų179135.5 Ų135.594%0.93776%0.759SS**  cis-126.6177.1-3.9-60.9166.5000106.5
727G24.1Very low25Very low70 Ų70133.8 Ų133.872%0.72276%0.758SS**  cis156.71415.200000107.8
728S22.7Very low25Very low122 Ų122129.4 Ų129.485%0.85376%0.758SS**  trans-98.4-167.3-177.8-51.90000112
729P36.9Very low25Very low117 Ų117130.3 Ų130.376%0.7677%0.773SS**  -107.5-168.3-9240.4-25.9000111.3
730P23.9Very low24.9Very low124 Ų124126.9 Ų126.981%0.80577%0.77SS**  -153.3-169.18741.6-21.9000114.7
731A21.8Very low25Very low86 Ų86124.7 Ų124.771%0.71178%0.783SS**  trans-103.5-17416600000111.4
732Q23.3Very low24.9Very low187 Ų187130.7 Ų130.787%0.87480%0.798SS**  trans85.198.7176-54.4-175.8-10.900117.5
733Q26.4Very low24.8Very low188 Ų188129.9 Ų129.988%0.87979%0.793SS**  -173.5107.2120.2-95.217130.100105.8
734S25.1Very low24.8Very low103 Ų103130.2 Ų130.272%0.7280%0.795SS**  82.4101.364.4740000114.6
735A25.4Very low24.9Very low91 Ų91128.5 Ų128.575%0.75279%0.791SS**  trans75.9156145.800000121.1
736N26.3Very low24.7Very low145 Ų145128.3 Ų128.378%0.77578%0.784SS**  trans68.473.3152.7-60.9-1.1000121
737S24Very low24.9Very low99 Ų99130.4 Ų130.469%0.69278%0.779SS**  38.3135.1108.969.20000122.2
738S24.6Very low24.9Very low106 Ų106133.9 Ų133.974%0.74178%0.777SS**  104.3157127.783.70000120.6
739S25.8Very low25.2Very low115 Ų115134.4 Ų134.480%0.80477%0.77SS**  trans78.6137.4167.675.20000118.1
740N23.4Very low24.7Very low158 Ų158133.1 Ų133.185%0.84576%0.764SS**  trans-70.7153.4172.9-71.5-48.6000110.3R742N740-R742 PolarHBondContact O-N 2.75Å
741G25.4Very low24.8Very low87 Ų87135 Ų13590%0.89776%0.762SS**  trans-55.7128.4174.800000112.3
742R22.1Very low25.1Very low232 Ų232136.2 Ų136.288%0.87576%0.757SS**  trans-115.6109.6167.4-174.9180-166.91685.2108.1N740N740-R742 PolarHBondContact O-N 2.75Å
743V23.4Very low25.3Very low118 Ų118132.4 Ų132.472%0.71574%0.742SS**SBendtrans69.2138.4161.3175.10000116.1
744D22.1Very low25.3Very low133 Ų133132.9 Ų132.971%0.71174%0.736SS**  trans74.1116.5159.8-69-9.8000124.5
745L25.5Very low25.3Very low143 Ų143135 Ų13575%0.74973%0.734SS**  80.180.3123.8-62.7173.7000122.3
746S22.5Very low25.4Very low92 Ų92141.4 Ų141.464%0.64374%0.739SS**  82.9153108.879.90000122.2
747R27.6Very low25.3Very low223 Ų223141.6 Ų141.684%0.84274%0.735SS**  trans69.4156.2158.4-72.9-178.6162.4152.1-2.6119.3
748E24.6Very low25.3Very low142 Ų142144.2 Ų144.266%0.66474%0.74SS**  cis-171.4163.7-43.2-128.8174-17000110.9
749N29.3Very low25.6Very low133 Ų133146.5 Ų146.571%0.71174%0.743SS**  trans67.1157.5155-62.5-33.8000121
750S26.7Very low25.8Very low91 Ų91147.3 Ų147.364%0.63674%0.738SS**  cis-170.9144.5-39.758.20000112.8
751Q26.5Very low25.7Very low163 Ų163146 Ų14676%0.76273%0.731SS**  trans66.4137.9134.7-86.2-17020.500125.1
752N27Very low26Very low112 Ų112149.2 Ų149.260%0.59972%0.722SS**  110.7114.3124.4-79.3-8.9000124.4
753N27.1Very low26.1Very low107 Ų107144.8 Ų144.857%0.57272%0.716SS**  94.1114.2115.7-75.8-22.5000125.4
754R26.7Very low26.2Very low197 Ų197143.9 Ų143.974%0.74372%0.715SS**  99.7115.3110.7-75.9175.7178.1-167.1-3.4124.6
755H26.2Very low26.3Very low149 Ų149144.2 Ų144.269%0.6972%0.717SS**  93.2148.2116.9-84.2-50.3000125.9
756R27.4Very low26.3Very low225 Ų225144.4 Ų144.485%0.84972%0.719SS**  trans81.5159.2155.4-77.5170.5173.8173.1-3.3119.7
757E24Very low26.4Very low149 Ų149145.7 Ų145.770%0.69672%0.722SS**  169.6138.5-53.5-100.9175.7153.600111.4
758L24.1Very low26.3Very low153 Ų153141.2 Ų141.280%0.80172%0.715SS**  trans64.5139.9152.1-61.5165.5000121.5
759I30.3Very low26.2Very low155 Ų155140.3 Ų140.380%0.79572%0.715SS**  173.9133123.5-91.5163.7000114.7
760N29.1Very low26Very low132 Ų132141.6 Ų141.671%0.70672%0.722SS**  trans54.9110.5154.6-63.31.4000127.1
761N23Very low25.8Very low129 Ų129142.3 Ų142.369%0.6973%0.726SS**  32.2131.4111.5-52.2-6.5000123.6
762H30.1Very low25.8Very low155 Ų155141.2 Ų141.272%0.71873%0.726SS**  172.3144.499.1-94.1-68.6000116.4
763N25.6Very low25.6Very low140 Ų140146.4 Ų146.475%0.74974%0.737SS**  trans10.6158.5135.2-51.72.9000121.4
764S24.4Very low25.6Very low99 Ų99149.5 Ų149.569%0.69275%0.752SS**  cis-177.3143.5-17.152.20000111.9
765D23.8Very low25.6Very low139 Ų139146.9 Ų146.974%0.74375%0.751SS**  trans13.4125.2159.8-43.8-27.9000122.8
766N25.7Very low25.5Very low148 Ų148150 Ų15079%0.79176%0.757SS**  164.5124.6108-87.3-57.2000117.9
767V25.6Very low25.3Very low118 Ų118149.8 Ų149.872%0.71576%0.758SS**  74.7120.9127.5178.10000123.6
768N23.9Very low25.4Very low130 Ų130152.3 Ų152.370%0.69576%0.761SS**  trans86.9127.5150.7-83.137.6000125.6
769D23.7Very low25.3Very low123 Ų123149.6 Ų149.666%0.65875%0.752SS**  trans57.194.7141.3-51.7-26000121.6
770N25.6Very low25Very low160 Ų160146.1 Ų146.186%0.85674%0.74SS**  -163.4169.198.4-106-71.8000113.3
771S22.6Very low24.9Very low105 Ų105146.5 Ų146.573%0.73475%0.75SS**  trans-73.4141.1-176.955.80000114.5
772D25.4Very low25Very low141 Ų141144.9 Ų144.975%0.75475%0.754SS**  -157.4169.9118.7-134.3-31.3000114.5
773R23.6Very low24.8Very low220 Ų220141.3 Ų141.383%0.8374%0.743SS**  trans-63.7129-167.9-55.8137165.8-176.3-7.5115.1
774I26.8Very low24.9Very low173 Ų173140.1 Ų140.189%0.88774%0.736SS**  trans-129.8129.4136.1-60.6-174.1000110.5
775I26.5Very low25.1Very low141 Ų141141.7 Ų141.772%0.72373%0.728SS**  trans-45.3135.8-173.3-66.7157.8000115.4
776R23.1Very low25.7Very low215 Ų215138.3 Ų138.381%0.81171%0.707SS**  trans-73.8121.3158.8-63.4174.5179.1170.4-1.7109.1R778R776-R778 PolarHBondContact O-N 3.22Å
777Y24.5Very low26.1Very low221 Ų221136.8 Ų136.887%0.86770%0.698SS**  trans-7399.1159.1-113.7-100.1000108.7
778R25.1Very low26.8Very low201 Ų201135.7 Ų135.776%0.75869%0.687SS**  trans-114.8120.8172.2-168.4-175-160.2-176.34.6105.6R776R776-R778 PolarHBondContact O-N 3.22Å
779P23.7Very low27.7Very low96 Ų96131.2 Ų131.262%0.62366%0.662SS**  trans-59.3147.4177.825.4-33.7000109.8
780P24Very low28.3Very low82 Ų82129.9 Ų129.953%0.53267%0.668SS.*  trans-61.5136.7-17925.4-33.7000110.1A782 V783P780-A782 PolarHBondContact O-N 3.35Å; P780-V783 HydrophobicContact CG-CG2 4.18Å; P780-V783 PolarHBondContact O-N 2.83Å
781P25.7Very low28.8Very low141 Ų141127.6 Ų127.692%0.91666%0.662SS**THydrogen-bonded Turntrans-76.460.6-174.633.3-37.4000112.2
782A26.1Very low29.6Very low94 Ų94125.3 Ų125.378%0.77765%0.646SS**THydrogen-bonded Turntrans-160-23178.600000113.2P780P780-A782 PolarHBondContact O-N 3.35Å
783V25.6Very low30.3Very low80 Ų80121.2 Ų121.249%0.48564%0.637SS.*  trans-102.5120.7-176.5-175.90000110P780 Y785P780-V783 HydrophobicContact CG-CG2 4.18Å; P780-V783 PolarHBondContact O-N 2.83Å; V783-Y785 HydrophobicContact CG1-CD2 4.17Å; V783-Y785 HydrophobicContact CG1-CE2 3.74Å
784L26.7Very low31.2Very low116 Ų116113.1 Ų113.161%0.60761%0.612SS**  trans-127.3101.1-177.8-168.7167.8000107.5E786 P821L784-E786 PolarHBondContact O-N 3.46Å; L784-P821 HydrophobicContact CD1-CB 3.79Å; L784-P821 HydrophobicContact CD2-CB 3.91Å; L784-P821 HydrophobicContact CD2-CG 4.14Å; L784-P821 HydrophobicContact CG-CB 3.94Å; L784-P821 HydrophobicContact CG-CG 4.22Å
785Y29.5Very low32.1Very low132 Ų132105.4 Ų105.452%0.51857%0.573SS.*  trans-68.8119.2-176.4-67-95.8000110.5V783 I787V783-Y785 HydrophobicContact CG1-CD2 4.17Å; V783-Y785 HydrophobicContact CG1-CE2 3.74Å; Y785-I787 PolarHBondContact O-N 2.95Å
786E35.4Very low32.9Very low67 Ų67100.3 Ų100.331%0.31355%0.545SS..  trans-93.4103.2179.7-170.8163.3-120.300110.8L784 P795 H797 W884L784-E786 PolarHBondContact O-N 3.46Å; E786-P795 VanDerWaalsContact CD-CB 3.47Å; E786-P795 VanDerWaalsContact CD-CG 3.46Å; E786-P795 HydrophobicContact CG-CB 3.73Å; E786-P795 HydrophobicContact CG-CG 4.11Å; E786-P795 WeakPolarHBondContact OE1-CB 3.21Å; E786-P795 WeakPolarHBondContact OE1-CG 3.39Å; E786-H797 IonicContact OE1-CE1 2.96Å; E786-H797 PolarHBondContact OE1-CE1 3.09Å; E786-H797 IonicContact OE1-ND1 3.97Å; E786-H797 PolarHBondContact OE1-ND1 3.19Å; E786-W884 WeakPolarHBondContact OE2-CH2 3.39Å; E786-W884 VanDerWaalsContact OE2-CZ2 3.29Å; E786-W884 WeakPolarHBondContact OE2-CZ2 3.31Å
787I36Very low34.1Very low116 Ų11692.5 Ų92.560%0.59552%0.518SS*.  trans-71.6129.7170.1-51.6178.4000107.7Y785 F796Y785-I787 PolarHBondContact O-N 2.95Å; I787-F796 HydrophobicContact CB-CD2 4.02Å; I787-F796 HydrophobicContact CB-CE2 4.45Å; I787-F796 HydrophobicContact CB-CG 4.42Å; I787-F796 HydrophobicContact CG2-CD2 3.68Å; I787-F796 HydrophobicContact CG2-CE2 3.62Å; I787-F796 HydrophobicContact CG2-CG 4.37Å; I787-F796 HydrophobicContact CG2-CZ 4.32Å; I787-F796 VanDerWaalsContact O-CD2 3.29Å; I787-F796 WeakPolarHBondContact O-CD2 3.23Å; I787-F796 PolarHBondContact O-N 3.21Å
788I40Very low35.2Very low95 Ų9586.4 Ų86.449%0.48749%0.494SS..EExtended strand (participates in β ladder)trans-107.8135.1179.2-60.4175000108.8A790 G793I788-A790 PolarHBondContact O-N 3.14Å; I788-G793 VanDerWaalsContact CG2-C 3.45Å
789H41.5Very low36.2Very low36 Ų3677.2 Ų77.217%0.16746%0.46CS..EExtended strand (participates in β ladder)trans-76.1105.3176.5-178.2-108.7000109.9P791 S792 G793 V794 F796 L799H789-P791 VanDerWaalsContact C-CD 3.48Å; H789-P791 VanDerWaalsContact C-N 3.34Å; H789-S792 PolarHBondContact ND1-OG 2.81Å; H789-S792 PolarHBondContact O-N 3.18Å; H789-S792 PolarHBondContact O-OG 3.35Å; H789-G793 PolarHBondContact O-N 2.91Å; H789-V794 PolarHBondContact N-O 2.85Å; H789-F796 VanDerWaalsContact CA-CE2 3.5Å; H789-F796 HydrophobicContact CB-CD2 4.08Å; H789-F796 HydrophobicContact CB-CE2 3.73Å; H789-F796 HydrophobicContact CB-CZ 4.36Å; H789-L799 HydrophobicContact CB-CD1 3.5Å
790A37.8Very low37.4Very low95 Ų9575.5 Ų75.579%0.78545%0.448SS*.THydrogen-bonded Turntrans-53.1-38.3-169.100000115.2I788 S792I788-A790 PolarHBondContact O-N 3.14Å; A790-S792 PolarHBondContact O-N 2.97Å
791P34.8Very low38.7Very low113 Ų11372.1 Ų72.173%0.73443%0.426SS*.THydrogen-bonded Turntrans-66-28.9175.7-24.234.8000115.5H789H789-P791 VanDerWaalsContact C-CD 3.48Å; H789-P791 VanDerWaalsContact C-N 3.34Å
792S40.3Very low39.9Very low57 Ų5766.6 Ų66.640%0.39940%0.395SS..THydrogen-bonded Turntrans-112.4-15.7-173.661.80000114.5H789 A790 V794H789-S792 PolarHBondContact ND1-OG 2.81Å; H789-S792 PolarHBondContact O-N 3.18Å; H789-S792 PolarHBondContact O-OG 3.35Å; A790-S792 PolarHBondContact O-N 2.97Å; S792-V794 PolarHBondContact O-N 2.94Å
793G40Very low41Very low54 Ų5467.5 Ų67.556%0.55738%0.38SS*.THydrogen-bonded Turntrans67.58.5-17400000114.1I788 H789I788-G793 VanDerWaalsContact CG2-C 3.45Å; H789-G793 PolarHBondContact O-N 2.91Å
794V42.5Very low42.5Very low50 Ų5063.7 Ų63.730%0.30336%0.356SS..EExtended strand (participates in β ladder)trans-93.9137.3-179.2-178.10000109.8H789 S792 R798 L799H789-V794 PolarHBondContact N-O 2.85Å; S792-V794 PolarHBondContact O-N 2.94Å; V794-R798 HydrophobicContact CG1-CB 3.83Å; V794-L799 HydrophobicContact CB-CD2 3.8Å; V794-L799 HydrophobicContact CB-CG 4.19Å; V794-L799 HydrophobicContact CG1-CD2 3.79Å; V794-L799 HydrophobicContact CG1-CG 3.97Å; V794-L799 HydrophobicContact CG2-CD2 4.39Å
795P44.2Very low43.7Very low11 Ų1159.6 Ų59.67%0.07134%0.336CS..EExtended strand (participates in β ladder)trans-56.2140.5170.4-28.936.1000113.7E786 H797 R798 L799 W884E786-P795 VanDerWaalsContact CD-CB 3.47Å; E786-P795 VanDerWaalsContact CD-CG 3.46Å; E786-P795 HydrophobicContact CG-CB 3.73Å; E786-P795 HydrophobicContact CG-CG 4.11Å; E786-P795 WeakPolarHBondContact OE1-CB 3.21Å; E786-P795 WeakPolarHBondContact OE1-CG 3.39Å; P795-H797 PolarHBondContact O-N 3.48Å; P795-H797 VanDerWaalsContact O-N 3.12Å; P795-R798 HydrophobicContact CB-CG 4.31Å; P795-R798 PolarHBondContact O-N 2.71Å; P795-L799 PolarHBondContact O-N 3.38Å; P795-W884 HydrophobicContact CG-CH2 4.07Å; P795-W884 HydrophobicContact CG-CZ2 3.69Å
796F44.8Very low44.6Very low34 Ų3454.2 Ų54.215%0.14932%0.316CS..G310 helixtrans-54.4-34.6177.2-89-113.1000112.6I787 H789 R798 L804 Y812I787-F796 HydrophobicContact CB-CD2 4.02Å; I787-F796 HydrophobicContact CB-CE2 4.45Å; I787-F796 HydrophobicContact CB-CG 4.42Å; I787-F796 HydrophobicContact CG2-CD2 3.68Å; I787-F796 HydrophobicContact CG2-CE2 3.62Å; I787-F796 HydrophobicContact CG2-CG 4.37Å; I787-F796 HydrophobicContact CG2-CZ 4.32Å; I787-F796 VanDerWaalsContact O-CD2 3.29Å; I787-F796 WeakPolarHBondContact O-CD2 3.23Å; I787-F796 PolarHBondContact O-N 3.21Å; H789-F796 VanDerWaalsContact CA-CE2 3.5Å; H789-F796 HydrophobicContact CB-CD2 4.08Å; H789-F796 HydrophobicContact CB-CE2 3.73Å; H789-F796 HydrophobicContact CB-CZ 4.36Å; F796-R798 PolarHBondContact O-N 2.8Å; F796-L804 HydrophobicContact CB-CD2 3.85Å; F796-L804 HydrophobicContact CD1-CD2 3.31Å; F796-L804 HydrophobicContact CE1-CD2 4.13Å; F796-L804 HydrophobicContact CG-CD2 3.9Å; F796-L804 VanDerWaalsContact O-CD2 3.26Å; F796-L804 WeakPolarHBondContact O-CD2 3.44Å; F796-Y812 HydrophobicContact CE1-CE2 4.11Å
797H47.7Very low44.6Very low52 Ų5259 Ų5924%0.24134%0.343CS..G310 helixtrans-63.8-27.4178.485.1-102.2000113.4E786 P795 I820 R823E786-H797 IonicContact OE1-CE1 2.96Å; E786-H797 PolarHBondContact OE1-CE1 3.09Å; E786-H797 IonicContact OE1-ND1 3.97Å; E786-H797 PolarHBondContact OE1-ND1 3.19Å; P795-H797 PolarHBondContact O-N 3.48Å; P795-H797 VanDerWaalsContact O-N 3.12Å; H797-I820 HydrophobicContact CB-CG2 4.12Å; H797-R823 PolarHBondContact O-NE 2.9Å; H797-R823 PolarHBondContact O-NH2 3.25Å
798R46.8Very low44.5Very low92 Ų9256.7 Ų56.735%0.34733%0.327SS..G310 helixtrans-96.1-14.1-173.9-61-169.3130.2-158.9-14.9115.2Q221 V794 P795 F796 W884Q221-R798 VanDerWaalsContact NE2-NH2 3.15Å; V794-R798 HydrophobicContact CG1-CB 3.83Å; P795-R798 HydrophobicContact CB-CG 4.31Å; P795-R798 PolarHBondContact O-N 2.71Å; F796-R798 PolarHBondContact O-N 2.8Å; R798-W884 VanDerWaalsContact CZ-CD1 3.41Å; R798-W884 VanDerWaalsContact CZ-NE1 3.31Å
799L47.3Very low44.4Very low9 Ų954 Ų545%0.04732%0.322CS..SBendtrans-72.3136.3176.7-74.1177000110.9H789 V794 P795 Y803 L804 R823H789-L799 HydrophobicContact CB-CD1 3.5Å; V794-L799 HydrophobicContact CB-CD2 3.8Å; V794-L799 HydrophobicContact CB-CG 4.19Å; V794-L799 HydrophobicContact CG1-CD2 3.79Å; V794-L799 HydrophobicContact CG1-CG 3.97Å; V794-L799 HydrophobicContact CG2-CD2 4.39Å; P795-L799 PolarHBondContact O-N 3.38Å; L799-Y803 HydrophobicContact CD2-CD1 4.33Å; L799-L804 HydrophobicContact CB-CG 4.33Å; L799-R823 PolarHBondContact O-NH2 2.89Å
800P47.8Very low44.6Very low59 Ų5953 Ų5338%0.38332%0.318SS..  trans-52.6154.8173.6-27.234.5000112.5G802 Y803 L804P800-G802 PolarHBondContact O-N 2.91Å; P800-Y803 HydrophobicContact CB-CD2 4.18Å; P800-Y803 HydrophobicContact CG-CD2 4.09Å; P800-Y803 WeakPolarHBondContact O-CA 3.18Å; P800-Y803 WeakPolarHBondContact O-CB 3.39Å; P800-Y803 PolarHBondContact O-N 3.13Å; P800-L804 PolarHBondContact O-N 3.2Å
801P51.1Low45.1Very low11 Ų1150.1 Ų50.17%0.07129%0.291CS..THydrogen-bonded Turntrans-51.7-33-177.9-27.534.7000115.1Q817 L832P801-Q817 PolarHBondContact O-NE2 3.1Å; P801-L832 WeakPolarHBondContact CB-O 3.49Å
802G51.6Low45.9Very low26 Ų2647.5 Ų47.527%0.26827%0.267SS..THydrogen-bonded Turntrans-73.5-27.4174.100000115.1P800 L804 T805P800-G802 PolarHBondContact O-N 2.91Å; G802-L804 VanDerWaalsContact C-N 3.34Å; G802-T805 WeakPolarHBondContact O-CG2 3.37Å
803Y50Low46.7Very low113 Ų11345.4 Ų45.444%0.44325%0.252SS..THydrogen-bonded Turntrans-83.4-10.6175.2-84.3-100.8000112.9L799 P800 T805 D849L799-Y803 HydrophobicContact CD2-CD1 4.33Å; P800-Y803 HydrophobicContact CB-CD2 4.18Å; P800-Y803 HydrophobicContact CG-CD2 4.09Å; P800-Y803 WeakPolarHBondContact O-CA 3.18Å; P800-Y803 WeakPolarHBondContact O-CB 3.39Å; P800-Y803 PolarHBondContact O-N 3.13Å; Y803-T805 PolarHBondContact O-N 2.63Å; Y803-D849 PolarHBondContact OH-OD1 2.8Å
804L56.6Low47.6Very low0 Ų044.3 Ų44.30%024%0.236CC..  trans-78.272.3176.8-96.4-177.4000111.3F796 L799 P800 G802 Y812 Q817 I820 R823F796-L804 HydrophobicContact CB-CD2 3.85Å; F796-L804 HydrophobicContact CD1-CD2 3.31Å; F796-L804 HydrophobicContact CE1-CD2 4.13Å; F796-L804 HydrophobicContact CG-CD2 3.9Å; F796-L804 VanDerWaalsContact O-CD2 3.26Å; F796-L804 WeakPolarHBondContact O-CD2 3.44Å; L799-L804 HydrophobicContact CB-CG 4.33Å; P800-L804 PolarHBondContact O-N 3.2Å; G802-L804 VanDerWaalsContact C-N 3.34Å; L804-Y812 VanDerWaalsContact O-CD2 3.3Å; L804-Y812 WeakPolarHBondContact O-CD2 3.46Å; L804-Y812 PolarHBondContact O-N 2.83Å; L804-Q817 HydrophobicContact CD1-CG 4.12Å; L804-I820 HydrophobicContact CD1-CD1 3.55Å; L804-I820 HydrophobicContact CD2-CD1 3.67Å; L804-I820 HydrophobicContact CG-CD1 4.28Å; L804-R823 VanDerWaalsContact CD1-CZ 3.46Å; L804-R823 VanDerWaalsContact CD1-NH1 3.32Å
805T52.1Low48.3Very low29 Ų2949.4 Ų49.418%0.17825%0.254CS..  trans-112.8-168.5-172.777.30000114.8G802 Y803 F810 Y812G802-T805 WeakPolarHBondContact O-CG2 3.37Å; Y803-T805 PolarHBondContact O-N 2.63Å; T805-F810 WeakPolarHBondContact CA-O 3.34Å; T805-F810 WeakPolarHBondContact CB-O 3.43Å; T805-F810 VanDerWaalsContact CG2-C 3.49Å; T805-F810 WeakPolarHBondContact CG2-O 3.48Å; T805-Y812 WeakPolarHBondContact O-CE2 3.47Å
806N47.8Very low48.9Very low19 Ų1954 Ų5410%0.10227%0.27CS..  trans-155.3173.9-156.546.652.4000108.8R808 G809 F810 Y812 L1378 D1379N806-R808 PolarHBondContact O-N 3.28Å; N806-G809 PolarHBondContact O-N 3.24Å; N806-G809 PolarHBondContact OD1-N 2.77Å; N806-F810 PolarHBondContact ND2-O 2.86Å; N806-F810 WeakPolarHBondContact OD1-CB 3.45Å; N806-F810 WeakPolarHBondContact OD1-CD2 3.43Å; N806-F810 PolarHBondContact OD1-N 2.93Å; N806-F810 VanDerWaalsContact OD1-N 3.1Å; N806-F810 PolarHBondContact OD1-O 2.84Å; N806-Y812 HydrophobicContact CB-CE1 4.06Å; N806-Y812 HydrophobicContact CB-CE2 4.29Å; N806-L1378 HydrophobicContact CB-CB 4.45Å; N806-L1378 HydrophobicContact CB-CD1 3.78Å; N806-L1378 VanDerWaalsContact CB-O 3.29Å; N806-L1378 WeakPolarHBondContact CB-O 3.15Å; N806-L1378 PolarHBondContact ND2-O 2.84Å; N806-D1379 PolarHBondContact ND2-N 3.4Å
807L36.6Very low49.7Very low168 Ų16852.5 Ų52.588%0.8826%0.263SS*.THydrogen-bonded Turntrans-63.45.8-168.8-53.3176.6000116.8L1378L807-L1378 HydrophobicContact CB-CD1 3.83Å; L807-L1378 VanDerWaalsContact N-CD1 3.25Å
808R33.9Very low50.2Low67 Ų6753.3 Ų53.325%0.25327%0.269SS..THydrogen-bonded Turntrans-131.15.7173.2-68.4177.6-171132.3-3.2112.9N806 F810 L1378 D1522N806-R808 PolarHBondContact O-N 3.28Å; R808-F810 HydrophobicContact CB-CD2 3.63Å; R808-F810 HydrophobicContact CB-CE2 3.16Å; R808-F810 HydrophobicContact CB-CZ 3.78Å; R808-F810 HydrophobicContact CG-CE2 4.28Å; R808-F810 VanDerWaalsContact O-CE1 3.23Å; R808-F810 WeakPolarHBondContact O-CE1 3.33Å; R808-F810 WeakPolarHBondContact O-CZ 3.14Å; R808-L1378 HydrophobicContact CB-CD1 3.7Å; R808-L1378 HydrophobicContact CB-CG 4.32Å; R808-L1378 HydrophobicContact CG-CD1 3.76Å; R808-L1378 HydrophobicContact CG-CG 4.12Å; R808-D1522 IonicContact CZ-OD1 3.3Å; R808-D1522 IonicContact NE-OD1 3.99Å; R808-D1522 IonicContact NH2-OD1 3.45Å; R808-D1522 PolarHBondContact NH2-OD1 3.21Å
809G37.9Very low50.5Low38 Ų3855.7 Ų55.739%0.39228%0.284SS..SBendtrans98.125.8164.500000117.4N806N806-G809 PolarHBondContact O-N 3.24Å; N806-G809 PolarHBondContact OD1-N 2.77Å
810F45.3Very low50.7Low15 Ų1556.7 Ų56.77%0.06629%0.289CS..  trans-124.6150.4-161.7-47.8-55.2000115.6T805 N806 R808 Y812 L1374 M1375 N1377T805-F810 WeakPolarHBondContact CA-O 3.34Å; T805-F810 WeakPolarHBondContact CB-O 3.43Å; T805-F810 VanDerWaalsContact CG2-C 3.49Å; T805-F810 WeakPolarHBondContact CG2-O 3.48Å; N806-F810 PolarHBondContact ND2-O 2.86Å; N806-F810 WeakPolarHBondContact OD1-CB 3.45Å; N806-F810 WeakPolarHBondContact OD1-CD2 3.43Å; N806-F810 PolarHBondContact OD1-N 2.93Å; N806-F810 VanDerWaalsContact OD1-N 3.1Å; N806-F810 PolarHBondContact OD1-O 2.84Å; R808-F810 HydrophobicContact CB-CD2 3.63Å; R808-F810 HydrophobicContact CB-CE2 3.16Å; R808-F810 HydrophobicContact CB-CZ 3.78Å; R808-F810 HydrophobicContact CG-CE2 4.28Å; R808-F810 VanDerWaalsContact O-CE1 3.23Å; R808-F810 WeakPolarHBondContact O-CE1 3.33Å; R808-F810 WeakPolarHBondContact O-CZ 3.14Å; F810-Y812 PolarHBondContact O-N 3.2Å; F810-L1374 WeakPolarHBondContact CE1-O 3.45Å; F810-L1374 WeakPolarHBondContact CZ-O 3.47Å; F810-M1375 HydrophobicContact CD1-CB 4.38Å; F810-N1377 VanDerWaalsContact CE2-N 3.34Å; F810-N1377 WeakPolarHBondContact CE2-O 3.26Å
811P48Very low50.2Low36 Ų3657.2 Ų57.223%0.23429%0.293CS..PPolyproline II helixtrans-61133.7171.6-21.433.4000112.2
812Y52.5Low49.9Very low58 Ų5858.8 Ų58.823%0.22731%0.31CS..PPolyproline II helixtrans-60.2155.3167.7-85.7-58.2000111F796 L804 T805 N806 F810 Q817 L1378 D1379F796-Y812 HydrophobicContact CE1-CE2 4.11Å; L804-Y812 VanDerWaalsContact O-CD2 3.3Å; L804-Y812 WeakPolarHBondContact O-CD2 3.46Å; L804-Y812 PolarHBondContact O-N 2.83Å; T805-Y812 WeakPolarHBondContact O-CE2 3.47Å; N806-Y812 HydrophobicContact CB-CE1 4.06Å; N806-Y812 HydrophobicContact CB-CE2 4.29Å; F810-Y812 PolarHBondContact O-N 3.2Å; Y812-Q817 PolarHBondContact O-NE2 3.35Å; Y812-L1378 WeakPolarHBondContact CE1-O 3.29Å; Y812-D1379 CarbonylContact C-O 3.52Å; Y812-D1379 VanDerWaalsContact CA-O 3.28Å; Y812-D1379 WeakPolarHBondContact CA-O 2.95Å; Y812-D1379 HydrophobicContact CD1-CB 4.48Å
813P56.6Low49.9Very low13 Ų1358.5 Ų58.58%0.08430%0.301CS..PPolyproline II helixtrans-74.2154.3-176.432.3-22.1000109.3K815 R816 Q817 D1379 Q1380 Q1381P813-K815 PolarHBondContact O-N 3.43Å; P813-R816 HydrophobicContact CG-CB 4.07Å; P813-R816 HydrophobicContact CG-CG 3.85Å; P813-R816 PolarHBondContact O-N 3.15Å; P813-Q817 PolarHBondContact O-N 2.99Å; P813-D1379 WeakPolarHBondContact CD-O 3.19Å; P813-Q1380 WeakPolarHBondContact CB-O 3.46Å; P813-Q1380 VanDerWaalsContact CG-N 3.31Å; P813-Q1381 WeakPolarHBondContact CB-O 3.44Å
814S58Low49.9Very low30 Ų3057.1 Ų57.121%0.2131%0.308CS..Hα-helixtrans-46.4-38.3175-28.20000111.4Q817 L818S814-Q817 PolarHBondContact O-N 3.33Å; S814-L818 VanDerWaalsContact O-CB 3.26Å; S814-L818 WeakPolarHBondContact O-CB 3.25Å; S814-L818 WeakPolarHBondContact O-CD1 3.38Å; S814-L818 WeakPolarHBondContact O-CG 3.23Å; S814-L818 PolarHBondContact O-N 3.46Å
815K56.8Low49.5Very low158 Ų15859.6 Ų59.669%0.68732%0.32SS*.Hα-helixtrans-71.2-24178.3-67.9-165.2176.4-168.90117.1P813 Q819P813-K815 PolarHBondContact O-N 3.43Å; K815-Q819 WeakPolarHBondContact O-CG 3.37Å
816R57.8Low49.5Very low108 Ų10859.3 Ų59.341%0.40832%0.317SS..Hα-helixtrans-96.4-27.6166.5-54.8-171.9-173.7157.36.7112.3P813 L818 Q819 I820 D1379P813-R816 HydrophobicContact CG-CB 4.07Å; P813-R816 HydrophobicContact CG-CG 3.85Å; P813-R816 PolarHBondContact O-N 3.15Å; R816-L818 PolarHBondContact O-N 2.91Å; R816-Q819 WeakPolarHBondContact O-CA 2.93Å; R816-Q819 WeakPolarHBondContact O-CB 3.25Å; R816-Q819 PolarHBondContact O-N 2.94Å; R816-I820 PolarHBondContact O-N 2.91Å; R816-D1379 IonicContact CZ-OD2 3.52Å; R816-D1379 IonicContact NH1-OD2 3.01Å; R816-D1379 PolarHBondContact NH1-OD2 3.4Å; R816-D1379 IonicContact NH2-OD2 2.75Å; R816-D1379 PolarHBondContact NH2-OD2 2.92Å
817Q60.7Low49.5Very low1 Ų165 Ų651%0.00535%0.346CS..Hα-helixtrans-59-39.2169.4-66.9-159.540.500110.8P801 L804 Y812 P813 S814 Q819 I820 R823 L832P801-Q817 PolarHBondContact O-NE2 3.1Å; L804-Q817 HydrophobicContact CD1-CG 4.12Å; Y812-Q817 PolarHBondContact O-NE2 3.35Å; P813-Q817 PolarHBondContact O-N 2.99Å; S814-Q817 PolarHBondContact O-N 3.33Å; Q817-Q819 PolarHBondContact O-N 3.33Å; Q817-I820 WeakPolarHBondContact O-CB 3.41Å; Q817-I820 PolarHBondContact O-N 3.23Å; Q817-I820 VanDerWaalsContact O-N 3.16Å; Q817-R823 VanDerWaalsContact O-CB 3.32Å; Q817-R823 WeakPolarHBondContact O-CB 3.34Å; Q817-L832 HydrophobicContact CB-CD2 3.95Å
818L58.1Low50Low69 Ų6962.9 Ų62.936%0.36133%0.331SS..THydrogen-bonded Turntrans-65.8-18.3170.2-76.8167.3000114.9S814 R816 L826 L832S814-L818 VanDerWaalsContact O-CB 3.26Å; S814-L818 WeakPolarHBondContact O-CB 3.25Å; S814-L818 WeakPolarHBondContact O-CD1 3.38Å; S814-L818 WeakPolarHBondContact O-CG 3.23Å; S814-L818 PolarHBondContact O-N 3.46Å; R816-L818 PolarHBondContact O-N 2.91Å; L818-L826 WeakPolarHBondContact CD2-O 3.31Å; L818-L832 HydrophobicContact CD1-CD1 4.2Å; L818-L832 HydrophobicContact CD2-CD1 4.19Å; L818-L832 HydrophobicContact CG-CD1 3.81Å
819Q53.5Low50.6Low143 Ų14363.9 Ų63.967%0.66835%0.347SS*.THydrogen-bonded Turntrans-86.5-12.7174.2-68.9168.2-900112.3K815 R816 Q817 P821K815-Q819 WeakPolarHBondContact O-CG 3.37Å; R816-Q819 WeakPolarHBondContact O-CA 2.93Å; R816-Q819 WeakPolarHBondContact O-CB 3.25Å; R816-Q819 PolarHBondContact O-N 2.94Å; Q817-Q819 PolarHBondContact O-N 3.33Å; Q819-P821 WeakPolarHBondContact O-CD 3.36Å
820I51.6Low51.1Low29 Ų2966.2 Ų66.215%0.14935%0.353CS..SBendtrans-72.1121.8171.2-61.3170.6000107.7H797 L804 R816 Q817 G822 R823H797-I820 HydrophobicContact CB-CG2 4.12Å; L804-I820 HydrophobicContact CD1-CD1 3.55Å; L804-I820 HydrophobicContact CD2-CD1 3.67Å; L804-I820 HydrophobicContact CG-CD1 4.28Å; R816-I820 PolarHBondContact O-N 2.91Å; Q817-I820 WeakPolarHBondContact O-CB 3.41Å; Q817-I820 PolarHBondContact O-N 3.23Å; Q817-I820 VanDerWaalsContact O-N 3.16Å; I820-G822 PolarHBondContact O-N 3.24Å; I820-R823 PolarHBondContact O-N 3.05Å; I820-R823 VanDerWaalsContact O-N 3.16Å
821P38.6Very low51.1Low71 Ų7167.6 Ų67.646%0.46136%0.362SS..THydrogen-bonded Turntrans-57.8134.8178.5-23.533.8000111L784 Q819L784-P821 HydrophobicContact CD1-CB 3.79Å; L784-P821 HydrophobicContact CD2-CB 3.91Å; L784-P821 HydrophobicContact CD2-CG 4.14Å; L784-P821 HydrophobicContact CG-CB 3.94Å; L784-P821 HydrophobicContact CG-CG 4.22Å; Q819-P821 WeakPolarHBondContact O-CD 3.36Å
822G44.2Very low51.3Low43 Ų4366.1 Ų66.144%0.44335%0.352SS..THydrogen-bonded Turntrans90.210.2-172.700000115.3I820 H825I820-G822 PolarHBondContact O-N 3.24Å; G822-H825 PolarHBondContact O-NE2 3.12Å
823R51.7Low51Low20 Ų2068.4 Ų68.48%0.07537%0.367CS..  trans-121.1-3.1171.1-66.6-165.1171.7-131.7-16.9115.7H797 L799 L804 Q817 I820 H825 L826H797-R823 PolarHBondContact O-NE 2.9Å; H797-R823 PolarHBondContact O-NH2 3.25Å; L799-R823 PolarHBondContact O-NH2 2.89Å; L804-R823 VanDerWaalsContact CD1-CZ 3.46Å; L804-R823 VanDerWaalsContact CD1-NH1 3.32Å; Q817-R823 VanDerWaalsContact O-CB 3.32Å; Q817-R823 WeakPolarHBondContact O-CB 3.34Å; I820-R823 PolarHBondContact O-N 3.05Å; I820-R823 VanDerWaalsContact O-N 3.16Å; R823-H825 PolarHBondContact O-N 2.83Å; R823-L826 HydrophobicContact CB-CD1 4.44Å; R823-L826 HydrophobicContact CG-CD1 4.5Å; R823-L826 PolarHBondContact O-N 3.3Å; R823-L826 VanDerWaalsContact O-N 3.12Å
824S50.4Low50.3Low84 Ų8470.9 Ų70.959%0.58738%0.383SS*.THydrogen-bonded Turntrans-62.9-3.8-175.554.80000116
825H47.7Very low49.5Very low53 Ų5371.5 Ų71.525%0.24539%0.387CS..THydrogen-bonded Turntrans-102.2-6.9-179.718.8-75.9000113.6G822 R823 I827 Q866G822-H825 PolarHBondContact O-NE2 3.12Å; R823-H825 PolarHBondContact O-N 2.83Å; H825-I827 PolarHBondContact O-N 3.07Å; H825-I827 VanDerWaalsContact O-N 3.16Å; H825-Q866 HydrophobicContact CB-CG 3.91Å
826L52.9Low48.9Very low23 Ų2367 Ų6712%0.1237%0.373CS..  trans-81.687.4173.2-62.7174.2000109.1L818 R823 D831 L832L818-L826 WeakPolarHBondContact CD2-O 3.31Å; R823-L826 HydrophobicContact CB-CD1 4.44Å; R823-L826 HydrophobicContact CG-CD1 4.5Å; R823-L826 PolarHBondContact O-N 3.3Å; R823-L826 VanDerWaalsContact O-N 3.12Å; L826-D831 HydrophobicContact CB-CB 4.26Å; L826-D831 HydrophobicContact CD2-CB 4.02Å; L826-L832 HydrophobicContact CB-CD1 4.45Å; L826-L832 HydrophobicContact CB-CD2 4.18Å; L826-L832 HydrophobicContact CB-CG 4.2Å; L826-L832 HydrophobicContact CD1-CD2 3.58Å; L826-L832 HydrophobicContact CD1-CG 4.36Å
827I47.5Very low48Very low137 Ų13765.1 Ų65.170%0.70337%0.374SS*.  trans-80.6-25.9-166.8-67.3168000112.4H825H825-I827 PolarHBondContact O-N 3.07Å; H825-I827 VanDerWaalsContact O-N 3.16Å
828Q46.2Very low47Very low124 Ų12470.2 Ų70.258%0.57940%0.401SS*.SBendtrans-97.2144.7-178.1-54.9-164.663.800111.7T830 D831Q828-T830 WeakPolarHBondContact CB-OG1 3.34Å; Q828-T830 PolarHBondContact O-N 3.36Å; Q828-D831 PolarHBondContact N-OD2 3.4Å; Q828-D831 PolarHBondContact O-N 2.98Å
829P47.1Very low46.2Very low88 Ų8869.5 Ų69.557%0.57140%0.397SS*.G310 helixtrans-62.9-24.1179.7-23.534.6000114.2L832P829-L832 PolarHBondContact O-N 2.86Å
830T47.7Very low45.4Very low87 Ų8772.2 Ų72.253%0.53441%0.41SS..G310 helixtrans-58.5-43.6175.537.90000112.6Q828 L832 L833Q828-T830 WeakPolarHBondContact CB-OG1 3.34Å; Q828-T830 PolarHBondContact O-N 3.36Å; T830-L832 PolarHBondContact O-N 2.89Å; T830-L833 PolarHBondContact O-N 2.99Å
831D45.3Very low44.5Very low45 Ų4574.9 Ų74.924%0.24142%0.422CS..G310 helixtrans-72.1-3.9-171.4-30.2-22.7000112.2L826 Q828L826-D831 HydrophobicContact CB-CB 4.26Å; L826-D831 HydrophobicContact CD2-CB 4.02Å; Q828-D831 PolarHBondContact N-OD2 3.4Å; Q828-D831 PolarHBondContact O-N 2.98Å
832L52.2Low44.7Very low5 Ų573.5 Ų73.53%0.02641%0.412CS..G310 helixtrans-119.27.7-179-65.5168.2000112.3P801 Q817 L818 L826 P829 T830P801-L832 WeakPolarHBondContact CB-O 3.49Å; Q817-L832 HydrophobicContact CB-CD2 3.95Å; L818-L832 HydrophobicContact CD1-CD1 4.2Å; L818-L832 HydrophobicContact CD2-CD1 4.19Å; L818-L832 HydrophobicContact CG-CD1 3.81Å; L826-L832 HydrophobicContact CB-CD1 4.45Å; L826-L832 HydrophobicContact CB-CD2 4.18Å; L826-L832 HydrophobicContact CB-CG 4.2Å; L826-L832 HydrophobicContact CD1-CD2 3.58Å; L826-L832 HydrophobicContact CD1-CG 4.36Å; P829-L832 PolarHBondContact O-N 2.86Å; T830-L832 PolarHBondContact O-N 2.89Å
833L47.6Very low44.3Very low106 Ų10672.2 Ų72.256%0.55540%0.398SS*.SBendtrans-103.2144.9170.7-69.5166.4000109.6T830 S835T830-L833 PolarHBondContact O-N 2.99Å; L833-S835 PolarHBondContact O-N 3.16Å
834P40.6Very low43.5Very low65 Ų6574 Ų7442%0.42241%0.408SS..PPolyproline II helixtrans-68.5126.417128.9-32.5000109.8V836P834-V836 PolarHBondContact O-N 3.49Å
835S42.1Very low42.7Very low42 Ų4270.9 Ų70.929%0.29438%0.384SS..PPolyproline II helixtrans-75.9123.6172.561.60000110.4L833 Y861L833-S835 PolarHBondContact O-N 3.16Å; S835-Y861 PolarHBondContact N-OH 2.89Å; S835-Y861 VanDerWaalsContact OG-CE2 3.26Å; S835-Y861 WeakPolarHBondContact OG-CE2 3.22Å; S835-Y861 PolarHBondContact OG-OH 3.19Å
836V43.1Very low42.1Very low65 Ų6571.5 Ų71.539%0.39439%0.389SS..EExtended strand (participates in β ladder)trans-95.5133.9160.2-176.30000107.1P834 D845P834-V836 PolarHBondContact O-N 3.49Å; V836-D845 HydrophobicContact CG1-CB 4Å
837T39.9Very low41.2Very low68 Ų6874 Ų7442%0.41741%0.405SS..EExtended strand (participates in β ladder)trans-130126.8175.747.40000108.8I846T837-I846 PolarHBondContact N-O 3.05Å; T837-I846 WeakPolarHBondContact O-CA 3.18Å; T837-I846 WeakPolarHBondContact O-CB 3.43Å; T837-I846 PolarHBondContact O-N 2.86Å
838L39.5Very low40.5Very low108 Ų10871.3 Ų71.357%0.56540%0.395SS*.EExtended strand (participates in β ladder)trans-71139.4170.1-69.588.5000109.6E844 T1393L838-E844 WeakPolarHBondContact CA-O 3.41Å; L838-T1393 HydrophobicContact CD2-CG2 3.55Å; L838-T1393 HydrophobicContact CG-CG2 4.04Å
839D40.2Very low39.7Very low54 Ų5470.1 Ų70.129%0.28939%0.392SS..  trans-84.6126.6168170.741.3000110.7E841 T842 G843 E844 I846D839-E841 VanDerWaalsContact C-N 3.3Å; D839-E841 PolarHBondContact O-N 2.73Å; D839-T842 WeakPolarHBondContact OD2-CB 3.38Å; D839-T842 WeakPolarHBondContact OD2-CG2 3.09Å; D839-T842 PolarHBondContact OD2-N 2.78Å; D839-T842 PolarHBondContact OD2-OG1 2.78Å; D839-G843 WeakPolarHBondContact O-CA 3.45Å; D839-G843 PolarHBondContact O-N 2.86Å; D839-E844 PolarHBondContact N-O 3.38Å; D839-I846 HydrophobicContact CB-CD1 3.71Å; D839-I846 HydrophobicContact CB-CG1 4.15Å
840E36.4Very low38.6Very low199 Ų19970.2 Ų70.293%0.9339%0.388SS*.THydrogen-bonded Turntrans-73.4-16.6-173-63.6-174.8159.900113.7
841E33.6Very low37.6Very low86 Ų8671.3 Ų71.340%0.40239%0.39SS..THydrogen-bonded Turntrans-94.8-25.2177.1-73.9-163.717300114.9D839 Y1558 Q1561D839-E841 VanDerWaalsContact C-N 3.3Å; D839-E841 PolarHBondContact O-N 2.73Å; E841-Y1558 VanDerWaalsContact OE1-CB 3.27Å; E841-Y1558 WeakPolarHBondContact OE1-CB 3.29Å; E841-Q1561 PolarHBondContact OE2-NE2 3.41Å
842T43.6Very low36.6Very low41 Ų4174.1 Ų74.125%0.25240%0.401SS..THydrogen-bonded Turntrans-108.9-23177.759.10000113.5D839 E844 Q1561D839-T842 WeakPolarHBondContact OD2-CB 3.38Å; D839-T842 WeakPolarHBondContact OD2-CG2 3.09Å; D839-T842 PolarHBondContact OD2-N 2.78Å; D839-T842 PolarHBondContact OD2-OG1 2.78Å; T842-E844 VanDerWaalsContact C-N 3.26Å; T842-E844 PolarHBondContact O-N 3.33Å; T842-E844 PolarHBondContact OG1-N 2.83Å; T842-Q1561 HydrophobicContact CG2-CB 4.21Å
843G36.2Very low35.3Very low16 Ų1678.7 Ų78.717%0.16542%0.421CS..  trans78.4-1.1-172.200000114.7D839 T1393D839-G843 WeakPolarHBondContact O-CA 3.45Å; D839-G843 PolarHBondContact O-N 2.86Å; G843-T1393 CarbonylContact C-O 3.53Å; G843-T1393 VanDerWaalsContact C-O 3.27Å; G843-T1393 CarbonylContact O-C 3.56Å; G843-T1393 WeakPolarHBondContact O-CB 3.44Å; G843-T1393 WeakPolarHBondContact O-CG2 3.34Å
844E33.1Very low34.2Very low58 Ų5878 Ų7827%0.27142%0.424SS..  trans-73.9136.6-174.4-71.1-159.4-135.100113.8L838 D839 T842 I846 T1393 W1394L838-E844 WeakPolarHBondContact CA-O 3.41Å; D839-E844 PolarHBondContact N-O 3.38Å; T842-E844 VanDerWaalsContact C-N 3.26Å; T842-E844 PolarHBondContact O-N 3.33Å; T842-E844 PolarHBondContact OG1-N 2.83Å; E844-I846 VanDerWaalsContact C-N 3.33Å; E844-I846 PolarHBondContact O-N 2.92Å; E844-T1393 WeakPolarHBondContact CA-O 3.4Å; E844-T1393 WeakPolarHBondContact CG-O 3.46Å; E844-T1393 PolarHBondContact N-O 2.75Å; E844-W1394 HydrophobicContact CG-CG 4.37Å; E844-W1394 PolarHBondContact OE2-NE1 2.66Å
845D34Very low33.6Very low18 Ų1879.6 Ų79.610%0.09644%0.437CS..EExtended strand (participates in β ladder)trans-63.889.7167.9-88-46.5000107.7V836 V847 L1389 T1392 T1393V836-D845 HydrophobicContact CG1-CB 4Å; D845-V847 VanDerWaalsContact C-N 3.28Å; D845-V847 PolarHBondContact O-N 2.85Å; D845-L1389 VanDerWaalsContact OD2-O 3.05Å; D845-T1392 PolarHBondContact OD2-N 3.04Å; D845-T1392 PolarHBondContact OD2-OG1 2.78Å; D845-T1393 HydrophobicContact CB-CG2 3.88Å; D845-T1393 VanDerWaalsContact CB-OG1 3.29Å; D845-T1393 WeakPolarHBondContact CB-OG1 3.4Å; D845-T1393 PolarHBondContact N-OG1 3.09Å; D845-T1393 WeakPolarHBondContact OD2-CG2 3.36Å; D845-T1393 PolarHBondContact OD2-OG1 2.84Å; D845-T1393 VanDerWaalsContact OD2-OG1 3.09Å
846I36Very low32.9Very low66 Ų6684.4 Ų84.434%0.33846%0.459SS..EExtended strand (participates in β ladder)trans-71.892172.8-58.8-170.7000108.2T837 D839 E844 V848T837-I846 PolarHBondContact N-O 3.05Å; T837-I846 WeakPolarHBondContact O-CA 3.18Å; T837-I846 WeakPolarHBondContact O-CB 3.43Å; T837-I846 PolarHBondContact O-N 2.86Å; D839-I846 HydrophobicContact CB-CD1 3.71Å; D839-I846 HydrophobicContact CB-CG1 4.15Å; E844-I846 VanDerWaalsContact C-N 3.33Å; E844-I846 PolarHBondContact O-N 2.92Å; I846-V848 PolarHBondContact O-N 2.86Å
847V33.4Very low32.1Very low76 Ų7686 Ų8646%0.46147%0.469SS..EExtended strand (participates in β ladder)trans-57.6121.3142.5-179.40000106.2D845 D849 P1390D845-V847 VanDerWaalsContact C-N 3.28Å; D845-V847 PolarHBondContact O-N 2.85Å; V847-D849 VanDerWaalsContact C-N 3.3Å; V847-D849 PolarHBondContact O-N 2.88Å; V847-P1390 HydrophobicContact CG2-CB 4.23Å
848V32.7Very low31.6Very low80 Ų8086 Ų8649%0.48547%0.47SS..SBendtrans-74.477.3-164.5-171.80000112.3I846I846-V848 PolarHBondContact O-N 2.86Å
849D28.7Very low31.2Very low100 Ų10085.2 Ų85.254%0.53547%0.465SS..  trans-124.71.2-179.7-88.6-28.5000114.7Y803 V847Y803-D849 PolarHBondContact OH-OD1 2.8Å; V847-D849 VanDerWaalsContact C-N 3.3Å; V847-D849 PolarHBondContact O-N 2.88Å
850D25.4Very low30.9Very low89 Ų8988 Ų8848%0.47648%0.48SS..  trans-124.1106.6168.2-116.2-28.2000111.1R227 Q852R227-D850 IonicContact NH1-OD1 2.9Å; R227-D850 PolarHBondContact NH1-OD1 3.49Å; D850-Q852 VanDerWaalsContact C-N 3.34Å; D850-Q852 PolarHBondContact O-N 3.43Å
851I26.2Very low30.6Very low111 Ų11182.7 Ų82.757%0.56945%0.453SS*.  trans-80.383.3175.4-51.7179.4000109.4A225 R227A225-I851 WeakPolarHBondContact O-CG2 3.21Å; R227-I851 PolarHBondContact N-O 2.87Å
852Q24.3Very low30.3Very low104 Ų10480.1 Ų80.149%0.48644%0.444SS..  trans-91.9175.5155.8-67.5-162.932.200110.8D850 C854D850-Q852 VanDerWaalsContact C-N 3.34Å; D850-Q852 PolarHBondContact O-N 3.43Å; Q852-C854 VanDerWaalsContact C-N 3.35Å; Q852-C854 PolarHBondContact O-N 3.4Å
853F25Very low29.6Very low100 Ų10081.4 Ų81.444%0.43945%0.452SS..  trans-72.374.2-167.8-64.8-107000114.1V226 L312 S855V226-F853 HydrophobicContact CB-CE2 4.13Å; V226-F853 HydrophobicContact CB-CZ 4.1Å; V226-F853 HydrophobicContact CG1-CD2 4.07Å; V226-F853 HydrophobicContact CG1-CE1 4.32Å; V226-F853 HydrophobicContact CG1-CE2 3.27Å; V226-F853 HydrophobicContact CG1-CZ 3.44Å; V226-F853 VanDerWaalsContact CG1-CZ 3.44Å; V226-F853 HydrophobicContact CG2-CD1 3.72Å; V226-F853 HydrophobicContact CG2-CD2 3.93Å; V226-F853 HydrophobicContact CG2-CE1 3.49Å; V226-F853 VanDerWaalsContact CG2-CE1 3.49Å; V226-F853 HydrophobicContact CG2-CE2 3.69Å; V226-F853 HydrophobicContact CG2-CG 3.96Å; V226-F853 HydrophobicContact CG2-CZ 3.48Å; V226-F853 VanDerWaalsContact CG2-CZ 3.48Å; L312-F853 HydrophobicContact CB-CD1 4.4Å; L312-F853 HydrophobicContact CB-CE1 4.27Å; L312-F853 HydrophobicContact CD1-CD1 4.17Å; L312-F853 HydrophobicContact CD1-CE1 3.61Å; F853-S855 PolarHBondContact O-N 3.06Å; F853-S855 VanDerWaalsContact O-N 3.08Å
854C24.8Very low29.1Very low93 Ų9384.8 Ų84.863%0.62847%0.47SS*.  trans-68.9103.7159.1-64.80000109Q852 N856 V857Q852-C854 VanDerWaalsContact C-N 3.35Å; Q852-C854 PolarHBondContact O-N 3.4Å; C854-N856 PolarHBondContact O-N 3.5Å; C854-V857 HydrophobicContact CB-CG2 4.19Å
855S27.1Very low28.9Very low97 Ų9787.3 Ų87.368%0.67849%0.491SS*.SBendtrans-63.8-16.3168.550.50000112.6F853F853-S855 PolarHBondContact O-N 3.06Å; F853-S855 VanDerWaalsContact O-N 3.08Å
856N26.8Very low28.5Very low143 Ų14392.7 Ų92.777%0.76552%0.516SS*.  trans-122.293.1169.9-63.2-41.5000109.6C854C854-N856 PolarHBondContact O-N 3.5Å
857V27.6Very low28.1Very low99 Ų9997.2 Ų97.260%0.654%0.54SS*.  trans-81.6134.7160.5176.90000107.7C854 I859C854-V857 HydrophobicContact CB-CG2 4.19Å; V857-I859 PolarHBondContact O-N 3.39Å
858P28.8Very low27.7Very low68 Ų6897.9 Ų97.944%0.44255%0.548SS..  trans-54.1137.1177.5-28.136000112.7D860 Y861P858-D860 PolarHBondContact O-N 2.82Å; P858-D860 VanDerWaalsContact O-N 3.1Å; P858-Y861 PolarHBondContact O-N 3.2Å
859I31.5Very low27.4Very low91 Ų9198.9 Ų98.947%0.46756%0.559SS.*G310 helixtrans-59.1-30.4-169-62.7168.9000111.7V857 Y861 C862 Y878V857-I859 PolarHBondContact O-N 3.39Å; I859-Y861 VanDerWaalsContact C-N 3.32Å; I859-Y861 PolarHBondContact O-N 3.35Å; I859-C862 PolarHBondContact O-N 3.46Å; I859-Y878 HydrophobicContact CB-CE1 4.39Å; I859-Y878 HydrophobicContact CD1-CE1 4.38Å; I859-Y878 VanDerWaalsContact CD1-OH 3.24Å; I859-Y878 WeakPolarHBondContact CD1-OH 3.11Å; I859-Y878 HydrophobicContact CG1-CE1 4.01Å; I859-Y878 HydrophobicContact CG1-CE2 4.43Å; I859-Y878 HydrophobicContact CG2-CD1 4.29Å; I859-Y878 HydrophobicContact CG2-CE1 3.65Å
860D33.8Very low27.4Very low113 Ų113101 Ų10160%0.60458%0.576SS**G310 helixtrans-78.5-12-167.5-43.4-69.9000113.8P858 C862P858-D860 PolarHBondContact O-N 2.82Å; P858-D860 VanDerWaalsContact O-N 3.1Å; D860-C862 PolarHBondContact O-N 2.63Å
861Y29.2Very low27.4Very low88 Ų88106 Ų10635%0.34560%0.596SS.*G310 helixtrans-74.1-6.5172-88.1-84.1000114.1S835 P858 I859S835-Y861 PolarHBondContact N-OH 2.89Å; S835-Y861 VanDerWaalsContact OG-CE2 3.26Å; S835-Y861 WeakPolarHBondContact OG-CE2 3.22Å; S835-Y861 PolarHBondContact OG-OH 3.19Å; P858-Y861 PolarHBondContact O-N 3.2Å; I859-Y861 VanDerWaalsContact C-N 3.32Å; I859-Y861 PolarHBondContact O-N 3.35Å
862C28.6Very low27.4Very low32 Ų32105.2 Ų105.222%0.21660%0.598CS.*SBendtrans-94.9113.6169.2-52.80000108.6I859 D860 T864 W880I859-C862 PolarHBondContact O-N 3.46Å; D860-C862 PolarHBondContact O-N 2.63Å; C862-T864 PolarHBondContact O-N 2.91Å; C862-T864 VanDerWaalsContact O-N 3.08Å; C862-W880 HydrophobicContact CB-CZ2 4.16Å; C862-W880 PolarHBondContact SG-NE1 3.24Å
863P28.3Very low27.5Very low67 Ų67107.6 Ų107.644%0.43561%0.613SS.*PPolyproline II helixtrans-61.1120.1176.125.7-33.1000109.1P865P863-P865 WeakPolarHBondContact O-CD 3.33Å
864T26.7Very low27.3Very low88 Ų88114.1 Ų114.154%0.5464%0.636SS.*PPolyproline II helixtrans-61.1122.9-176.544.50000110.4C862 Q866C862-T864 PolarHBondContact O-N 2.91Å; C862-T864 VanDerWaalsContact O-N 3.08Å; T864-Q866 PolarHBondContact O-N 2.98Å; T864-Q866 VanDerWaalsContact O-N 3.17Å
865P27.4Very low27.4Very low110 Ų110113.2 Ų113.271%0.71464%0.642SS**PPolyproline II helixtrans-63120.3160.727.7-31.1000106.3P863 L867P863-P865 WeakPolarHBondContact O-CD 3.33Å; P865-L867 VanDerWaalsContact C-N 3.32Å; P865-L867 PolarHBondContact O-N 3.45Å
866Q26.5Very low27.3Very low132 Ų132114.4 Ų114.462%0.61764%0.635SS**  trans-66.291.6-176.2-78.7-172.1-25.400110.9H825 T864 S868H825-Q866 HydrophobicContact CB-CG 3.91Å; T864-Q866 PolarHBondContact O-N 2.98Å; T864-Q866 VanDerWaalsContact O-N 3.17Å; Q866-S868 PolarHBondContact O-N 3.22Å
867L28.2Very low27.3Very low161 Ų161112.3 Ų112.384%0.84362%0.624SS**  trans-59.2118.2158.7-89.8157.9000107.9P865 S869P865-L867 VanDerWaalsContact C-N 3.32Å; P865-L867 PolarHBondContact O-N 3.45Å; L867-S869 VanDerWaalsContact C-N 3.29Å; L867-S869 PolarHBondContact O-N 2.77Å
868S24.8Very low27.4Very low89 Ų89112.4 Ų112.462%0.62261%0.614SS**  trans-68.485.1177.153.40000110.7Q866Q866-S868 PolarHBondContact O-N 3.22Å
869S26.7Very low27.3Very low102 Ų102112.3 Ų112.371%0.71361%0.61SS**SBendtrans50.186.5162.159.50000118.1L867L867-S869 VanDerWaalsContact C-N 3.29Å; L867-S869 PolarHBondContact O-N 2.77Å
870T27.3Very low27Very low145 Ų145114.5 Ų114.589%0.8961%0.612SS**  -173.7170.2128.423.40000111
871Q26Very low26.8Very low192 Ų192111.9 Ų111.990%0.89760%0.602SS**PPolyproline II helixtrans-90.4140.5-160.8-66-176.4-14.500115.3
872P25.6Very low26.8Very low95 Ų95108.3 Ų108.362%0.61759%0.59SS**PPolyproline II helixtrans-97.1146.4168.136.4-32.4000113.5
873I25.9Very low27Very low155 Ų155111 Ų11180%0.79561%0.607SS**PPolyproline II helixtrans-81.1172.1176.4-65.7169.3000110.6
874Y22.3Very low27.2Very low237 Ų237112.9 Ų112.993%0.92961%0.606SS**SBendtrans-59.3141.3-176.8-86.9-99.8000114.5
875G27.1Very low27.6Very low73 Ų73111.1 Ų111.175%0.75359%0.593SS**  trans113.7102.3-177.500000111.3
876K24.6Very low27.9Very low122 Ų122109 Ų10953%0.5358%0.578SS.*  trans-140.9123-170.2-67.2-177-178.9175.40113.2Y878K876-Y878 HydrophobicContact CB-CE1 4.18Å
877N25.9Very low28.4Very low100 Ų100107.1 Ų107.154%0.53557%0.572SS.*  trans-100.4149.5164.4-66.2-6.7000109.1
878Y29.6Very low29.1Very low100 Ų100104.9 Ų104.939%0.39256%0.555SS.*  trans-108.5150.6-173.7-55.8-70.9000112.9A309 I859 K876A309-Y878 WeakPolarHBondContact CB-O 3.38Å; I859-Y878 HydrophobicContact CB-CE1 4.39Å; I859-Y878 HydrophobicContact CD1-CE1 4.38Å; I859-Y878 VanDerWaalsContact CD1-OH 3.24Å; I859-Y878 WeakPolarHBondContact CD1-OH 3.11Å; I859-Y878 HydrophobicContact CG1-CE1 4.01Å; I859-Y878 HydrophobicContact CG1-CE2 4.43Å; I859-Y878 HydrophobicContact CG2-CD1 4.29Å; I859-Y878 HydrophobicContact CG2-CE1 3.65Å; K876-Y878 HydrophobicContact CB-CE1 4.18Å
879L27.1Very low30.4Very low67 Ų67105 Ų10535%0.35155%0.553SS.*  trans-141.7139.8-169.4-68.3173.9000113H286 C307H286-L879 HydrophobicContact CB-CD1 3.5Å; H286-L879 HydrophobicContact CB-CD2 3.63Å; H286-L879 HydrophobicContact CB-CG 4.18Å; C307-L879 HydrophobicContact CB-CB 4.45Å; C307-L879 HydrophobicContact CB-CD2 4.14Å
880W26.1Very low31.9Very low136 Ų136101.9 Ų101.952%0.51553%0.53SS..  trans-123.1140.1179.2-79.878000111.7C307 C862C307-W880 WeakPolarHBondContact CB-O 3.27Å; C862-W880 HydrophobicContact CB-CZ2 4.16Å; C862-W880 PolarHBondContact SG-NE1 3.24Å
881C28.1Very low33.9Very low58 Ų5895.5 Ų95.539%0.39249%0.49SS..  trans-127154.5171.4-77.40000110.5W305W305-C881 HydrophobicContact CE3-CB 4.46Å
882S30.8Very low36.2Very low14 Ų1486.4 Ų86.410%0.09845%0.448CS..  trans-115.4130.9179.3129.40000110.5W884S882-W884 PolarHBondContact O-N 3.09Å; S882-W884 PolarHBondContact OG-N 2.87Å; S882-W884 VanDerWaalsContact OG-N 3.15Å
883P31.8Very low38.4Very low89 Ų8986.4 Ų86.458%0.57844%0.439SS*.THydrogen-bonded Turntrans-77.35.617330.3-34.6000113.8
884W32.2Very low40.5Very low106 Ų10680.1 Ų80.140%0.40241%0.409SS..THydrogen-bonded Turntrans-91.3-5.2-170.3-69.271.8000113.9E786 P795 R798 S882E786-W884 WeakPolarHBondContact OE2-CH2 3.39Å; E786-W884 VanDerWaalsContact OE2-CZ2 3.29Å; E786-W884 WeakPolarHBondContact OE2-CZ2 3.31Å; P795-W884 HydrophobicContact CG-CH2 4.07Å; P795-W884 HydrophobicContact CG-CZ2 3.69Å; R798-W884 VanDerWaalsContact CZ-CD1 3.41Å; R798-W884 VanDerWaalsContact CZ-NE1 3.31Å; S882-W884 PolarHBondContact O-N 3.09Å; S882-W884 PolarHBondContact OG-N 2.87Å; S882-W884 VanDerWaalsContact OG-N 3.15Å
885L34.9Very low43.1Very low51 Ų5169.4 Ų69.427%0.26737%0.367SS..SBendtrans-118.8108.1163.6-69162.6000106.5K218 N887 L891K218-L885 WeakPolarHBondContact O-CD1 3.1Å; L885-N887 PolarHBondContact O-N 3.46Å; L885-L891 HydrophobicContact CD1-CB 3.97Å
886T34.8Very low45.2Very low65 Ų6570.5 Ų70.540%0.39936%0.356SS..  trans-51.9129.1171.351.60000109.3A660 K888A660-T886 HydrophobicContact CB-CG2 3.93Å; T886-K888 PolarHBondContact O-N 3.21Å
887N35.8Very low47.2Very low92 Ų9269.6 Ų69.649%0.49236%0.361SS..THydrogen-bonded Turntrans-62.343.8-153.6-54.5-37.1000118.1W305 L885W305-N887 VanDerWaalsContact CH2-ND2 3.31Å; W305-N887 WeakPolarHBondContact CH2-ND2 3.01Å; W305-N887 WeakPolarHBondContact CZ3-OD1 3.28Å; L885-N887 PolarHBondContact O-N 3.46Å
888K44.1Very low49.4Very low114 Ų11470.5 Ų70.550%0.49637%0.366SS..THydrogen-bonded Turntrans-134.2-24.1-171.2-64.1-171.2173.9-1700114.8D661 E662 T886D661-K888 PolarHBondContact O-NZ 3.06Å; E662-K888 VanDerWaalsContact CD-NZ 3.33Å; E662-K888 WeakPolarHBondContact OE1-CE 3.22Å; E662-K888 IonicContact OE1-NZ 3.25Å; E662-K888 PolarHBondContact OE1-NZ 2.69Å; T886-K888 PolarHBondContact O-N 3.21Å
889T50.7Low51.5Low92 Ų9269.2 Ų69.256%0.56436%0.364SS*.  trans-141.3127.8179.155.40000112.1
890P59.5Low53.8Low37 Ų3767.8 Ų67.824%0.2436%0.356CS..  trans-72.7156.4175.731.8-35.7000112.2R181 K218 E893R181-P890 PolarHBondContact NH2-O 3.19Å; K218-P890 HydrophobicContact CD-CB 4.49Å; K218-P890 HydrophobicContact CG-CB 3.65Å; P890-E893 HydrophobicContact CG-CG 3.74Å
891L68.2Low56Low11 Ų1166 Ų666%0.05836%0.357CS..SBendtrans-61.9-49.3174.6172.861.4000110.4R181 H182 L217 K218 G220 L885R181-L891 HydrophobicContact CG-CD1 4.07Å; R181-L891 PolarHBondContact NE-O 2.91Å; R181-L891 PolarHBondContact NH2-O 3.32Å; H182-L891 HydrophobicContact CB-CD1 3.77Å; H182-L891 HydrophobicContact CB-CD2 4.24Å; L217-L891 WeakPolarHBondContact O-CB 3.02Å; K218-L891 PolarHBondContact O-N 3.21Å; G220-L891 VanDerWaalsContact CA-CD2 3.5Å; L885-L891 HydrophobicContact CD1-CB 3.97Å
892I75.6Confident58.3Low1 Ų168.8 Ų68.81%0.00537%0.367CS..SBendtrans-132.3142.3166.9-66.6178.3000108.1Y155 F157 V167 L217Y155-I892 HydrophobicContact CD2-CB 4.3Å; Y155-I892 HydrophobicContact CD2-CD1 3.85Å; Y155-I892 HydrophobicContact CD2-CG1 3.67Å; Y155-I892 HydrophobicContact CD2-CG2 3.88Å; Y155-I892 HydrophobicContact CE2-CB 4.26Å; Y155-I892 HydrophobicContact CE2-CG1 3.86Å; Y155-I892 HydrophobicContact CE2-CG2 3.99Å; Y155-I892 HydrophobicContact CG-CD1 3.98Å; Y155-I892 HydrophobicContact CG-CG1 4.08Å; F157-I892 HydrophobicContact CE1-CD1 3.9Å; F157-I892 HydrophobicContact CE2-CD1 4.28Å; F157-I892 HydrophobicContact CZ-CD1 3.35Å; V167-I892 HydrophobicContact CG1-CD1 3.92Å; L217-I892 HydrophobicContact CB-CB 4.22Å; L217-I892 HydrophobicContact CD2-CD1 4.36Å; L217-I892 PolarHBondContact O-N 2.95Å; L217-I892 VanDerWaalsContact O-N 3.08Å
893E70.9Confident60.5Low94 Ų9471 Ų7144%0.43937%0.374SS..PPolyproline II helixtrans-78.4132.9175.2-68.3170.5176.500110.5R152 N200 P890R152-E893 IonicContact NH1-OE2 2.84Å; R152-E893 PolarHBondContact NH1-OE2 2.84Å; N200-E893 PolarHBondContact ND2-O 3.1Å; P890-E893 HydrophobicContact CG-CG 3.74Å
894P71.2Confident62.6Low23 Ų2368.6 Ų68.615%0.14936%0.358CS..PPolyproline II helixtrans-68.1171.3167.333.9-36.5000110.5R152 H201R152-P894 PolarHBondContact NH1-O 2.83Å; R152-P894 PolarHBondContact NH2-O 3.5Å; H201-P894 WeakPolarHBondContact CD2-CB 3.16Å; H201-P894 WeakPolarHBondContact NE2-CB 3.3Å
895L76.2Confident64.7Low12 Ų1266.9 Ų66.96%0.06336%0.359CS..PPolyproline II helixtrans-72.9147.9168.9-67.5160.8000110.6R151 R152 I198 D199 N200 E899 K903R151-L895 HydrophobicContact CB-CD1 4.07Å; R152-L895 HydrophobicContact CG-CD2 3.63Å; I198-L895 WeakPolarHBondContact O-CD1 3.46Å; D199-L895 PolarHBondContact O-N 3.22Å; D199-L895 VanDerWaalsContact O-N 3.12Å; N200-L895 HydrophobicContact CB-CD1 4.27Å; N200-L895 HydrophobicContact CB-CG 4.05Å; L895-E899 WeakPolarHBondContact CA-OE2 3.44Å; L895-E899 HydrophobicContact CB-CB 4.2Å; L895-E899 HydrophobicContact CD2-CB 4.27Å; L895-E899 VanDerWaalsContact CD2-OE2 3.27Å; L895-E899 WeakPolarHBondContact CD2-OE2 3.32Å; L895-K903 HydrophobicContact CD1-CD 3.9Å; L895-K903 VanDerWaalsContact CD1-NZ 3.32Å
896D70.5Confident66.9Low97 Ų9768.7 Ų68.752%0.51937%0.367SS..PPolyproline II helixtrans-70.3153.9176.6-70.716.6000109.6R152 N898 E899 L900R152-D896 IonicContact CZ-OD1 3.77Å; R152-D896 IonicContact NH2-OD1 2.67Å; R152-D896 PolarHBondContact NH2-OD1 2.83Å; D896-N898 PolarHBondContact O-N 2.79Å; D896-N898 VanDerWaalsContact O-N 3.1Å; D896-E899 HydrophobicContact CB-CG 4.2Å; D896-E899 PolarHBondContact N-OE2 2.87Å; D896-E899 WeakPolarHBondContact O-CA 3.43Å; D896-E899 WeakPolarHBondContact O-CB 3.32Å; D896-E899 PolarHBondContact O-N 2.75Å; D896-L900 PolarHBondContact O-N 2.94Å
897T67Low68.9Low102 Ų10267.2 Ų67.263%0.62636%0.355SS*.Hα-helixtrans-55.2-35.2-177.749.10000113N901T897-N901 WeakPolarHBondContact O-CB 3.31Å; T897-N901 PolarHBondContact O-N 2.84Å; T897-N901 PolarHBondContact O-ND2 3.23Å
898N71.5Confident70.9Confident119 Ų11966.8 Ų66.864%0.63635%0.35SS*.Hα-helixtrans-69.6-41.3174.6-67.1-25.9000112.6D896 L902D896-N898 PolarHBondContact O-N 2.79Å; D896-N898 VanDerWaalsContact O-N 3.1Å; N898-L902 WeakPolarHBondContact O-CB 3.5Å; N898-L902 VanDerWaalsContact O-CG 3.27Å; N898-L902 WeakPolarHBondContact O-CG 3.38Å; N898-L902 PolarHBondContact O-N 2.86Å
899E75Confident72.7Confident74 Ų7466.6 Ų66.635%0.34635%0.351SS..Hα-helixtrans-65.8-39.5175.7-65.4-177.4133.600111.7R152 L895 D896 K903R152-E899 IonicContact CZ-OE2 3.47Å; R152-E899 IonicContact NE-OE2 2.71Å; R152-E899 PolarHBondContact NE-OE2 3.5Å; R152-E899 IonicContact NH2-OE1 2.71Å; R152-E899 IonicContact NH2-OE2 3.77Å; R152-E899 PolarHBondContact NH2-OE2 2.94Å; L895-E899 WeakPolarHBondContact CA-OE2 3.44Å; L895-E899 HydrophobicContact CB-CB 4.2Å; L895-E899 HydrophobicContact CD2-CB 4.27Å; L895-E899 VanDerWaalsContact CD2-OE2 3.27Å; L895-E899 WeakPolarHBondContact CD2-OE2 3.32Å; D896-E899 HydrophobicContact CB-CG 4.2Å; D896-E899 PolarHBondContact N-OE2 2.87Å; D896-E899 WeakPolarHBondContact O-CA 3.43Å; D896-E899 WeakPolarHBondContact O-CB 3.32Å; D896-E899 PolarHBondContact O-N 2.75Å; E899-K903 WeakPolarHBondContact O-CG 3.26Å; E899-K903 PolarHBondContact O-N 3.24Å
900L75.2Confident74.2Confident37 Ų3766.8 Ų66.819%0.19434%0.341CS..Hα-helixtrans-65.7-47.8176.5178.957.6000111.1I198 D199 D896 L902 K903 V904I198-L900 HydrophobicContact CG2-CD1 4.31Å; D199-L900 HydrophobicContact CB-CD1 3.82Å; D199-L900 HydrophobicContact CB-CD2 4.05Å; D896-L900 PolarHBondContact O-N 2.94Å; L900-L902 VanDerWaalsContact C-N 3.33Å; L900-L902 PolarHBondContact O-N 2.9Å; L900-K903 PolarHBondContact O-N 3.44Å; L900-V904 HydrophobicContact CD1-CG2 4.09Å; L900-V904 HydrophobicContact CG-CG2 4.5Å; L900-V904 WeakPolarHBondContact O-CG2 3.37Å; L900-V904 PolarHBondContact O-N 2.86Å
901N71.7Confident75.3Confident99 Ų9966.3 Ų66.353%0.52934%0.335SS..Hα-helixtrans-59-43.4176.8-75.4-21.4000111.6T897 V904 V905T897-N901 WeakPolarHBondContact O-CB 3.31Å; T897-N901 PolarHBondContact O-N 2.84Å; T897-N901 PolarHBondContact O-ND2 3.23Å; N901-V904 PolarHBondContact O-N 3.43Å; N901-V905 WeakPolarHBondContact O-CG2 3.22Å; N901-V905 PolarHBondContact O-N 2.88Å
902L77.2Confident75.9Confident115 Ų11571.2 Ų71.260%0.60236%0.358SS*.Hα-helixtrans-59.9-48.4175.1-74.3166.8000111.8N898 L900 V904 V905 E906N898-L902 WeakPolarHBondContact O-CB 3.5Å; N898-L902 VanDerWaalsContact O-CG 3.27Å; N898-L902 WeakPolarHBondContact O-CG 3.38Å; N898-L902 PolarHBondContact O-N 2.86Å; L900-L902 VanDerWaalsContact C-N 3.33Å; L900-L902 PolarHBondContact O-N 2.9Å; L902-V904 VanDerWaalsContact C-N 3.34Å; L902-V904 PolarHBondContact O-N 3.46Å; L902-V905 PolarHBondContact O-N 2.85Å; L902-E906 PolarHBondContact O-N 3Å
903K76Confident76.2Confident60 Ų6076.1 Ų76.126%0.26138%0.384SS..Hα-helixtrans-63.6-36177.8-76.2177.1178177.70113.3R151 I198 L895 E899 L900 Q907R151-K903 PolarHBondContact O-NZ 2.85Å; R151-K903 VanDerWaalsContact O-NZ 3.14Å; I198-K903 HydrophobicContact CD1-CB 4.34Å; I198-K903 HydrophobicContact CG1-CB 4.47Å; L895-K903 HydrophobicContact CD1-CD 3.9Å; L895-K903 VanDerWaalsContact CD1-NZ 3.32Å; E899-K903 WeakPolarHBondContact O-CG 3.26Å; E899-K903 PolarHBondContact O-N 3.24Å; L900-K903 PolarHBondContact O-N 3.44Å; K903-Q907 WeakPolarHBondContact O-CB 3.48Å; K903-Q907 PolarHBondContact O-N 2.95Å
904V75.7Confident76.8Confident39 Ų3972.1 Ų72.124%0.23637%0.365CS..Hα-helixtrans-68.8-40.4175.5170.80000111.2L900 N901 L902 Q907 Q908L900-V904 HydrophobicContact CD1-CG2 4.09Å; L900-V904 HydrophobicContact CG-CG2 4.5Å; L900-V904 WeakPolarHBondContact O-CG2 3.37Å; L900-V904 PolarHBondContact O-N 2.86Å; N901-V904 PolarHBondContact O-N 3.43Å; L902-V904 VanDerWaalsContact C-N 3.34Å; L902-V904 PolarHBondContact O-N 3.46Å; V904-Q907 PolarHBondContact O-N 3.15Å; V904-Q908 WeakPolarHBondContact O-CG 3.31Å; V904-Q908 PolarHBondContact O-N 2.55Å
905V77.3Confident77.2Confident70 Ų7076.5 Ų76.542%0.42438%0.379SS..Hα-helixtrans-66.4-45.1175.2170.20000111.2N901 L902 Q907 Q908 Q909N901-V905 WeakPolarHBondContact O-CG2 3.22Å; N901-V905 PolarHBondContact O-N 2.88Å; L902-V905 PolarHBondContact O-N 2.85Å; V905-Q907 VanDerWaalsContact C-N 3.28Å; V905-Q907 PolarHBondContact O-N 3.31Å; V905-Q908 PolarHBondContact O-N 2.86Å; V905-Q909 WeakPolarHBondContact O-CG 3.36Å; V905-Q909 PolarHBondContact O-N 2.71Å
906E80.2Confident77.2Confident90 Ų9080.5 Ų80.542%0.42140%0.4SS..Hα-helixtrans-56.9-42173-80.9-170.8-138.800112L902 Q909 R910L902-E906 PolarHBondContact O-N 3Å; E906-Q909 PolarHBondContact O-N 3.44Å; E906-R910 VanDerWaalsContact O-CG 3.28Å; E906-R910 WeakPolarHBondContact O-CG 3.03Å; E906-R910 PolarHBondContact O-N 3.49Å; E906-R910 IonicContact OE2-CZ 2.77Å; E906-R910 IonicContact OE2-NH2 3.7Å; E906-R910 PolarHBondContact OE2-NH2 2.9Å
907Q77.9Confident77.4Confident34 Ų3481.4 Ų81.416%0.15940%0.4CS..Hα-helixtrans-69.2-39179.5-172.317421.300112.3N242 K903 V904 V905 R910 Y911N242-Q907 PolarHBondContact ND2-OE1 3.25Å; N242-Q907 VanDerWaalsContact ND2-OE1 3.11Å; K903-Q907 WeakPolarHBondContact O-CB 3.48Å; K903-Q907 PolarHBondContact O-N 2.95Å; V904-Q907 PolarHBondContact O-N 3.15Å; V905-Q907 VanDerWaalsContact C-N 3.28Å; V905-Q907 PolarHBondContact O-N 3.31Å; Q907-R910 PolarHBondContact O-N 3.35Å; Q907-Y911 WeakPolarHBondContact O-CB 3.4Å; Q907-Y911 PolarHBondContact O-N 3.18Å
908Q78Confident77.6Confident83 Ų8378.5 Ų78.539%0.38838%0.379SS..Hα-helixtrans-62.8-44.1173.8-75174.1-0.300111.4P244 V904 V905 Y911 E912P244-Q908 HydrophobicContact CB-CG 4.43Å; V904-Q908 WeakPolarHBondContact O-CG 3.31Å; V904-Q908 PolarHBondContact O-N 2.55Å; V905-Q908 PolarHBondContact O-N 2.86Å; Q908-Y911 WeakPolarHBondContact O-CB 3.18Å; Q908-Y911 PolarHBondContact O-N 3.2Å; Q908-E912 PolarHBondContact O-N 3.37Å
909Q81.5Confident77.5Confident110 Ų11076.6 Ų76.651%0.51438%0.375SS..Hα-helixtrans-59.3-47.5173.8-72.8174.8-15.100111.4V905 E906 Y911 E912 D913V905-Q909 WeakPolarHBondContact O-CG 3.36Å; V905-Q909 PolarHBondContact O-N 2.71Å; E906-Q909 PolarHBondContact O-N 3.44Å; Q909-Y911 VanDerWaalsContact C-N 3.32Å; Q909-Y911 PolarHBondContact O-N 2.94Å; Q909-E912 PolarHBondContact O-N 2.88Å; Q909-D913 WeakPolarHBondContact O-CB 3.39Å; Q909-D913 PolarHBondContact O-N 3.44Å
910R81.7Confident76.7Confident95 Ų9575.9 Ų75.936%0.35838%0.381SS..Hα-helixtrans-62.3-35.1176.1-68.7175.5-153-144.912.1113H385 E906 Q907 E914H385-R910 PolarHBondContact O-NH1 3.06Å; H385-R910 VanDerWaalsContact O-NH1 3.17Å; E906-R910 VanDerWaalsContact O-CG 3.28Å; E906-R910 WeakPolarHBondContact O-CG 3.03Å; E906-R910 PolarHBondContact O-N 3.49Å; E906-R910 IonicContact OE2-CZ 2.77Å; E906-R910 IonicContact OE2-NH2 3.7Å; E906-R910 PolarHBondContact OE2-NH2 2.9Å; Q907-R910 PolarHBondContact O-N 3.35Å; R910-E914 WeakPolarHBondContact O-CB 3.43Å; R910-E914 VanDerWaalsContact O-CG 3.32Å; R910-E914 WeakPolarHBondContact O-CG 3.43Å; R910-E914 PolarHBondContact O-N 3.31Å
911Y82.7Confident75.1Confident28 Ų2878 Ų7811%0.1141%0.412CS..Hα-helixtrans-66-42.5174.3-178.7-94.7000111.7P244 G341 L343 F359 Q907 Q908 Q909 R915P244-Y911 HydrophobicContact CG-CD1 3.88Å; P244-Y911 HydrophobicContact CG-CD2 4.26Å; P244-Y911 HydrophobicContact CG-CE1 4.29Å; P244-Y911 HydrophobicContact CG-CG 3.86Å; G341-Y911 WeakPolarHBondContact O-CB 3.43Å; G341-Y911 WeakPolarHBondContact O-CD2 3.37Å; L343-Y911 HydrophobicContact CB-CD2 4.08Å; L343-Y911 HydrophobicContact CB-CE2 4Å; L343-Y911 HydrophobicContact CD1-CE2 3.82Å; F359-Y911 PolarHBondContact O-OH 3.22Å; Q907-Y911 WeakPolarHBondContact O-CB 3.4Å; Q907-Y911 PolarHBondContact O-N 3.18Å; Q908-Y911 WeakPolarHBondContact O-CB 3.18Å; Q908-Y911 PolarHBondContact O-N 3.2Å; Q909-Y911 VanDerWaalsContact C-N 3.32Å; Q909-Y911 PolarHBondContact O-N 2.94Å; Y911-R915 WeakPolarHBondContact O-CB 3.25Å; Y911-R915 PolarHBondContact O-N 3Å
912E81.1Confident73Confident113 Ų11375.9 Ų75.953%0.52841%0.414SS..Hα-helixtrans-68.6-40.8175.6-69-170.6159.500111.9Q908 Q909 R915 N916Q908-E912 PolarHBondContact O-N 3.37Å; Q909-E912 PolarHBondContact O-N 2.88Å; E912-R915 PolarHBondContact O-N 2.97Å; E912-N916 VanDerWaalsContact O-CB 3.31Å; E912-N916 WeakPolarHBondContact O-CB 3.18Å; E912-N916 PolarHBondContact O-N 3.02Å; E912-N916 PolarHBondContact O-ND2 3.03Å; E912-N916 VanDerWaalsContact O-ND2 3.09Å
913D82Confident70.5Confident104 Ų10479.2 Ų79.256%0.55643%0.426SS*.Hα-helixtrans-60.8-47.4173.2-75.5-27.5000111.8Q909 R915 N916 F917Q909-D913 WeakPolarHBondContact O-CB 3.39Å; Q909-D913 PolarHBondContact O-N 3.44Å; D913-R915 VanDerWaalsContact C-N 3.32Å; D913-R915 PolarHBondContact O-N 2.83Å; D913-N916 PolarHBondContact O-N 2.97Å; D913-F917 WeakPolarHBondContact O-CB 3.41Å; D913-F917 PolarHBondContact O-N 2.85Å
914E82.5Confident68.3Low10 Ų1081.6 Ų81.65%0.04745%0.448CS..Hα-helixtrans-60.1-42.9173.9-78.4179.6-178.800111.4S339 P340 G341 G342 L343 L388 R910 F917 F918S339-E914 VanDerWaalsContact CB-OE1 3.23Å; S339-E914 WeakPolarHBondContact CB-OE1 3.42Å; S339-E914 WeakPolarHBondContact CB-OE2 3.31Å; S339-E914 VanDerWaalsContact OG-CD 3.29Å; S339-E914 PolarHBondContact OG-OE1 3.05Å; S339-E914 PolarHBondContact OG-OE2 3.5Å; P340-E914 WeakPolarHBondContact CD-OE1 3.34Å; P340-E914 WeakPolarHBondContact CG-OE1 3.35Å; G341-E914 WeakPolarHBondContact CA-OE2 3.21Å; G341-E914 VanDerWaalsContact N-CD 3.28Å; G341-E914 PolarHBondContact N-OE1 3.01Å; G341-E914 PolarHBondContact N-OE2 3.38Å; G342-E914 PolarHBondContact N-OE2 3.18Å; L343-E914 HydrophobicContact CB-CB 4.02Å; L343-E914 WeakPolarHBondContact CB-OE2 3.46Å; L343-E914 HydrophobicContact CD2-CB 3.98Å; L343-E914 PolarHBondContact N-OE2 2.83Å; L388-E914 HydrophobicContact CD2-CG 4.09Å; L388-E914 HydrophobicContact CG-CG 4.4Å; R910-E914 WeakPolarHBondContact O-CB 3.43Å; R910-E914 VanDerWaalsContact O-CG 3.32Å; R910-E914 WeakPolarHBondContact O-CG 3.43Å; R910-E914 PolarHBondContact O-N 3.31Å; E914-F917 PolarHBondContact O-N 3.38Å; E914-F918 VanDerWaalsContact O-CB 3.23Å; E914-F918 WeakPolarHBondContact O-CB 3.34Å; E914-F918 PolarHBondContact O-N 2.92Å
915R79.8Confident65.9Low116 Ų11686.5 Ų86.544%0.43848%0.477SS..Hα-helixtrans-64.3-43178.7-178.7178.3-179.8-159.60.1111.8L343 M360 Y911 E912 D913 S919L343-R915 VanDerWaalsContact CD2-CA 3.45Å; L343-R915 HydrophobicContact CD2-CB 4.02Å; M360-R915 HydrophobicContact CE-CG 4.31Å; M360-R915 HydrophobicContact SD-CG 3.87Å; Y911-R915 WeakPolarHBondContact O-CB 3.25Å; Y911-R915 PolarHBondContact O-N 3Å; E912-R915 PolarHBondContact O-N 2.97Å; D913-R915 VanDerWaalsContact C-N 3.32Å; D913-R915 PolarHBondContact O-N 2.83Å; R915-S919 VanDerWaalsContact O-CB 3.28Å; R915-S919 WeakPolarHBondContact O-CB 3.37Å; R915-S919 PolarHBondContact O-N 3.48Å; R915-S919 PolarHBondContact O-OG 3.21Å
916N78Confident63.5Low96 Ų9688 Ų8851%0.51349%0.486SS..Hα-helixtrans-67-47177-68-27000110.3E912 D913 F918 S919 A920E912-N916 VanDerWaalsContact O-CB 3.31Å; E912-N916 WeakPolarHBondContact O-CB 3.18Å; E912-N916 PolarHBondContact O-N 3.02Å; E912-N916 PolarHBondContact O-ND2 3.03Å; E912-N916 VanDerWaalsContact O-ND2 3.09Å; D913-N916 PolarHBondContact O-N 2.97Å; N916-F918 VanDerWaalsContact C-N 3.3Å; N916-F918 PolarHBondContact O-N 2.98Å; N916-S919 PolarHBondContact O-N 2.78Å; N916-A920 WeakPolarHBondContact O-CB 3.49Å; N916-A920 PolarHBondContact O-N 3.29Å
917F73.5Confident60.8Low116 Ų11689.1 Ų89.151%0.50951%0.505SS..Hα-helixtrans-65.8-29178.8-161.4-79.9000113.2L388 F405 D913 E914L388-F917 HydrophobicContact CD1-CD1 4Å; F405-F917 HydrophobicContact CB-CE1 4.45Å; F405-F917 AromaticContact CD1-CD1 3.78Å; F405-F917 HydrophobicContact CD1-CD1 3.78Å; F405-F917 AromaticContact CD1-CE1 3.73Å; F405-F917 HydrophobicContact CD1-CE1 3.73Å; F405-F917 HydrophobicContact CE1-CD1 4.32Å; D913-F917 WeakPolarHBondContact O-CB 3.41Å; D913-F917 PolarHBondContact O-N 2.85Å; E914-F917 PolarHBondContact O-N 3.38Å
918F70.3Confident58.2Low41 Ų4196.4 Ų96.418%0.1854%0.536CS..Hα-helixtrans-85.7-26.2176.4-148-95.6000113.6L343 L344 A368 L388 F405 E914 N916L343-F918 HydrophobicContact CD2-CB 4.32Å; L344-F918 HydrophobicContact CD1-CD2 4Å; L344-F918 HydrophobicContact CD1-CE2 3.74Å; L344-F918 HydrophobicContact CD1-CZ 4.49Å; L344-F918 HydrophobicContact CD2-CE2 4.23Å; L344-F918 HydrophobicContact CD2-CZ 4.23Å; A368-F918 HydrophobicContact CB-CE1 4.43Å; A368-F918 HydrophobicContact CB-CZ 4.17Å; L388-F918 HydrophobicContact CD1-CD2 3.97Å; F405-F918 HydrophobicContact CD1-CD2 4.1Å; F405-F918 HydrophobicContact CD1-CE2 4.41Å; F405-F918 AromaticContact CE1-CD2 3.49Å; F405-F918 HydrophobicContact CE1-CD2 3.49Å; F405-F918 VanDerWaalsContact CE1-CD2 3.49Å; F405-F918 AromaticContact CE1-CE2 3.85Å; F405-F918 HydrophobicContact CE1-CE2 3.85Å; F405-F918 HydrophobicContact CE1-CG 4.23Å; F405-F918 HydrophobicContact CE2-CD2 4.46Å; F405-F918 AromaticContact CE2-CE2 3.96Å; F405-F918 HydrophobicContact CE2-CE2 3.96Å; F405-F918 AromaticContact CZ-CD2 3.69Å; F405-F918 HydrophobicContact CZ-CD2 3.69Å; F405-F918 AromaticContact CZ-CE2 3.58Å; F405-F918 HydrophobicContact CZ-CE2 3.58Å; F405-F918 HydrophobicContact CZ-CG 4.42Å; F405-F918 HydrophobicContact CZ-CZ 4.24Å; E914-F918 VanDerWaalsContact O-CB 3.23Å; E914-F918 WeakPolarHBondContact O-CB 3.34Å; E914-F918 PolarHBondContact O-N 2.92Å; N916-F918 VanDerWaalsContact C-N 3.3Å; N916-F918 PolarHBondContact O-N 2.98Å
919S69.8Low55.8Low79 Ų7996.1 Ų96.155%0.55256%0.555SS**Hα-helixtrans-95.6-14.617861.40000114.7R915 N916 G921R915-S919 VanDerWaalsContact O-CB 3.28Å; R915-S919 WeakPolarHBondContact O-CB 3.37Å; R915-S919 PolarHBondContact O-N 3.48Å; R915-S919 PolarHBondContact O-OG 3.21Å; N916-S919 PolarHBondContact O-N 2.78Å; S919-G921 PolarHBondContact O-N 3.09Å
920A58.4Low53Low58 Ų5897.9 Ų97.948%0.47957%0.568SS.*  trans-70.867.917200000112.2N916 G922N916-A920 WeakPolarHBondContact O-CB 3.49Å; N916-A920 PolarHBondContact O-N 3.29Å; A920-G922 PolarHBondContact O-N 2.77Å
921G41.3Very low50.4Low83 Ų83101.8 Ų101.886%0.85659%0.59SS**  trans-72.743.7171.500000113.4S919S919-G921 PolarHBondContact O-N 3.09Å
922G29Very low47.5Very low54 Ų54109.5 Ų109.556%0.55763%0.625SS**SBendtrans176.3128.5-17700000111.7A920A920-G922 PolarHBondContact O-N 2.77Å
923E24.2Very low44.9Very low184 Ų184111 Ų11186%0.8664%0.637SS**  trans58.7129.8179.1-55.2-159.815100117.8V925E923-V925 PolarHBondContact O-N 3Å
924P29.7Very low42.2Very low110 Ų110111.1 Ų111.171%0.71465%0.645SS**  trans-81.1113.6173.432.1-30.9000110.6V926P924-V926 HydrophobicContact CB-CG2 4.37Å; P924-V926 HydrophobicContact CG-CG2 4.45Å; P924-V926 PolarHBondContact O-N 3.1Å
925V26.1Very low39.3Very low142 Ų142115 Ų11586%0.86167%0.673SS**  trans-66.6103.5160.9177.90000107.9E923 S927E923-V925 PolarHBondContact O-N 3Å; V925-S927 PolarHBondContact O-N 3.02Å
926V25.4Very low36.7Very low101 Ų101119.2 Ų119.261%0.61270%0.695SS**  trans-81.695.7-177.4176.30000110.2P924 F928P924-V926 HydrophobicContact CB-CG2 4.37Å; P924-V926 HydrophobicContact CG-CG2 4.45Å; P924-V926 PolarHBondContact O-N 3.1Å; V926-F928 HydrophobicContact CG1-CB 4.18Å; V926-F928 HydrophobicContact CG1-CD2 3.35Å; V926-F928 HydrophobicContact CG1-CE2 4.06Å; V926-F928 HydrophobicContact CG1-CG 4.08Å
927S23.9Very low34.3Very low115 Ų115119 Ų11980%0.80469%0.691SS**  trans-95.364.8162.148.80000110.9V925V925-S927 PolarHBondContact O-N 3.02Å
928F24.1Very low32Very low187 Ų187117.5 Ų117.582%0.8269%0.694SS**  trans-72.5128.3162.6-85.9-58.3000109.3V926V926-F928 HydrophobicContact CG1-CB 4.18Å; V926-F928 HydrophobicContact CG1-CD2 3.35Å; V926-F928 HydrophobicContact CG1-CE2 4.06Å; V926-F928 HydrophobicContact CG1-CG 4.08Å
929G26.2Very low29.7Very low76 Ų76121.7 Ų121.778%0.78472%0.724SS**  trans-155.327.4-175.600000113.1E931G929-E931 PolarHBondContact O-N 2.91Å
930D23.8Very low27.5Very low148 Ų148125.6 Ų125.679%0.79173%0.733SS**  trans-75.4113.4166.2-81.6-50.7000108.9
931E26Very low25.8Very low176 Ų176129.9 Ų129.982%0.82274%0.743SS**  trans-160.1135133.7-120.7-179.6-139.300113.1G929G929-E931 PolarHBondContact O-N 2.91Å
932F22.1Very low25Very low191 Ų191133.5 Ų133.584%0.83874%0.741SS**  trans-84.6122.3169.4-104.1-103.6000109.2
933N26.1Very low24.9Very low145 Ų145137 Ų13778%0.77575%0.746SS**  trans-150.8160.2154-113.8-46000116.5
934S25.3Very low24.7Very low106 Ų106136.2 Ų136.274%0.74175%0.746SS**  trans-39.7141.4-166.758.50000119.5
935S21.7Very low24.4Very low91 Ų91139.1 Ų139.164%0.63675%0.752SS**  trans-56.4137.8168.954.70000116.2
936K26.5Very low24.3Very low204 Ų204140.9 Ų140.989%0.88775%0.751SS**  trans-163.7115.9147-109.8166-174.41770114
937H27.8Very low24.3Very low93 Ų93142.1 Ų142.143%0.43176%0.761SS.*  trans39.698.9147.6-83.7-75.7000123.5H87H87-H937 AromaticContact CE1-CE1 3.39Å; H87-H937 PolarHBondContact CE1-CE1 2.88Å; H87-H937 AromaticContact CE1-ND1 3.67Å; H87-H937 AromaticContact CE1-NE2 3.65Å; H87-H937 AromaticContact ND1-CE1 3.41Å; H87-H937 PolarHBondContact ND1-CE1 3.4Å; H87-H937 AromaticContact ND1-NE2 3.8Å
938S23.4Very low24.2Very low83 Ų83144.4 Ų144.458%0.5876%0.759SS**  65137.6116.557.70000124.6
939T22.3Very low24.3Very low130 Ų130146.4 Ų146.480%0.79876%0.761SS**  trans70.5138.1152.239.30000117.7
940E23.9Very low24.2Very low160 Ų160149.8 Ų149.875%0.74876%0.761SS**  cis-138.417513.8-71.1-162.2106.900114.9
941Q22.4Very low24.3Very low148 Ų148148.7 Ų148.769%0.69276%0.764SS**  trans19.3129.2151.8-61.2176.738.400122.9
942I26Very low24.2Very low160 Ų160147.7 Ų147.782%0.82176%0.757SS**  -160.2108.2129.8-93.3144.9000104.5
943I25.6Very low24.3Very low128 Ų128149.9 Ų149.966%0.65676%0.76SS**  63.7112.483.1-62.9177.9000113.1M945I943-M945 HydrophobicContact CG2-CG 4.38Å
944I20.7Very low24.1Very low166 Ų166150.7 Ų150.785%0.85176%0.759SS**  trans-76.8131.8169.1-61165.1000108.6
945M22.7Very low24.2Very low171 Ų171150.6 Ų150.684%0.84276%0.758SS**  trans-138144.4162.4-82.9-104.4-71.500109.5I943I943-M945 HydrophobicContact CG2-CG 4.38Å
946Q23.4Very low24.3Very low180 Ų180154.9 Ų154.984%0.84177%0.768SS**  trans-82.2158.7177.2-72.4176.5-42.400111.8
947P26.4Very low24.3Very low126 Ų126152.9 Ų152.982%0.81877%0.765SS**  trans-87.7117.1179.733.2-32.5000112.8
948E21.9Very low24.1Very low163 Ų163153.1 Ų153.176%0.76278%0.777SS**  trans-140124.4156.6-68.7-163.3163.600111.3
949R26.6Very low24.2Very low230 Ų230154.7 Ų154.787%0.86879%0.787SS**  178139.3100.7-93.4179.4-176.5-168.2-1.5112.6
950N22.9Very low24.2Very low147 Ų147157.5 Ų157.579%0.78679%0.791SS**  trans-73.9153.7167.9-65.3-62.4000111.3
951C26.1Very low24.2Very low125 Ų125159.9 Ų159.985%0.84580%0.799SS**  trans166.4155132.1-93.50000111.7
952F23.4Very low24.2Very low155 Ų155158.5 Ų158.568%0.6881%0.806SS**  cis-173.4128.2-37.9-140.2-74.8000108Q954F952-Q954 HydrophobicContact CD1-CG 4.01Å; F952-Q954 HydrophobicContact CE1-CG 3.94Å
953R24.3Very low24.2Very low237 Ų237155.9 Ų155.989%0.89480%0.802SS**  trans-172.2110.7155.9-106.3173.2-170.9-162.61.8105.6
954Q23.2Very low24.2Very low162 Ų162154.8 Ų154.876%0.75781%0.806SS**  49.4123.667.1-63.6-176.3-5.200111.4F952F952-Q954 HydrophobicContact CD1-CG 4.01Å; F952-Q954 HydrophobicContact CE1-CG 3.94Å
955S27Very low24.3Very low104 Ų104154.6 Ų154.673%0.72781%0.805SS**  cis-126.9157.245.554.80000117.7
956Q24.6Very low24.4Very low180 Ų180150.5 Ų150.584%0.84179%0.794SS**  trans12.3144.1135.7-60.3171.6-12.800118.2
957I26.3Very low24.3Very low163 Ų163148.1 Ų148.184%0.83680%0.797SS**  -138.1160.550-75169.7000113
958S23.5Very low24.2Very low97 Ų97147.2 Ų147.268%0.67879%0.794SS**  trans-100.7173.3-172.555.30000115.6
959C25.9Very low24.3Very low117 Ų117144.5 Ų144.579%0.79179%0.792SS**  trans118119.1146.7-64.60000117
960Q22.3Very low24.3Very low189 Ų189139 Ų13988%0.88379%0.789SS**  trans-71.3133.3152-66.5173.4-26.900109.5
961K23.2Very low24.4Very low209 Ų209136.9 Ų136.991%0.90979%0.786SS**  trans-175.1120.3134.8-108.1174.4-177.5-177.70111.2
962S22.4Very low24.3Very low120 Ų120136.1 Ų136.184%0.83978%0.782SS**  trans-100.5106.3167.552.60000110
963S25.3Very low24.4Very low104 Ų104133.7 Ų133.773%0.72778%0.784SS**  trans-171.9126.8153.355.90000111.8
964S25.4Very low24.5Very low106 Ų106129.7 Ų129.774%0.74178%0.777SS**  trans-62.2149.4173.549.90000115.3
965L22.8Very low24.5Very low162 Ų162128.8 Ų128.885%0.84877%0.773SS**  trans-132.1117.3136.3-75.1100.8000106.5
966S24.5Very low24.4Very low85 Ų85133 Ų13359%0.59477%0.774SS**  79.89754.178.60000113.4S968S966-S968 PolarHBondContact O-N 2.82Å; S966-S968 VanDerWaalsContact O-N 3.14Å
967S23.3Very low24.5Very low129 Ų129129.6 Ų129.690%0.90276%0.762SS**  trans-70.397.9158.751.80000108.8
968S24Very low24.5Very low108 Ų108126.6 Ų126.676%0.75575%0.747SS**  trans-80.2144.7-174.556.80000113.7S966S966-S968 PolarHBondContact O-N 2.82Å; S966-S968 VanDerWaalsContact O-N 3.14Å
969S22.9Very low24.5Very low105 Ų105129.6 Ų129.673%0.73475%0.751SS**  trans-121.411615556.60000109.8
970S26.2Very low24.5Very low114 Ų114127.8 Ų127.880%0.79774%0.74SS**  trans58.7135.5171.340.80000117.8
971S25.5Very low24.6Very low103 Ų103125.1 Ų125.172%0.7273%0.731SS**  cis-161.1137.9549.10000113.5
972S24.9Very low24.7Very low109 Ų109122.8 Ų122.876%0.76272%0.723SS**  trans19145.5139.356.10000121.8
973S24.8Very low24.9Very low104 Ų104123.6 Ų123.673%0.72772%0.717SS**  cis-179.8-177.8-0.149.70000112.4
974M26.3Very low24.8Very low153 Ų153123.9 Ų123.975%0.75471%0.714SS**  trans90.586.2153.9-68.7-82.2165.800120.9
975H23.7Very low24.8Very low143 Ų143124.6 Ų124.666%0.66271%0.714SS**  68.3149.6109.8-88.5-74.4000125.1
976Y25.6Very low24.8Very low193 Ų193123.7 Ų123.776%0.75771%0.71SS**  trans71.6139.2166.1-66.3-78.9000118.2
977N26.2Very low24.9Very low109 Ų109127.2 Ų127.258%0.58372%0.722SS**  cis-166.7163.9-28.8-124.127.2000112.7
978N25.8Very low24.9Very low99 Ų99124.8 Ų124.853%0.52971%0.705SS.*  trans62.8123141.7-73.823.4000124.5
979E24.6Very low25.2Very low161 Ų161126 Ų12675%0.75271%0.71SS**  67.6156.2119.2-63.3164.4167.800122.3
980S24.5Very low25.2Very low79 Ų79126.2 Ų126.255%0.55271%0.707SS**  cis177.4154.1-41.358.80000108.8
981N25.4Very low25.1Very low133 Ų133128.1 Ų128.171%0.71171%0.707SS**  trans67.3157159.7-50.1-31.6000115.5
982H25.4Very low25Very low160 Ų160130.3 Ų130.374%0.74171%0.709SS**  cis-160.1166.239-111.8-65.9000114.4
983I25.5Very low24.8Very low136 Ų136133 Ų13370%0.69771%0.707SS**  trans78.991.6147-70.7162.8000118.8
984T23Very low24.8Very low111 Ų111137.4 Ų137.468%0.68171%0.713SS**  28.7137.6121.362.90000119.8
985T25.2Very low24.6Very low121 Ų121136.3 Ų136.374%0.74271%0.706SS**  -171158.273.525.50000114.6
986N23Very low24.6Very low143 Ų143135.5 Ų135.577%0.76571%0.706SS**  trans-2.1140.2152.2-48.4-24.1000119.9
987L26.5Very low24.7Very low159 Ų159133.6 Ų133.683%0.83270%0.702SS**  -162.9130.7110.5-106167.2000114.4
988S24.2Very low24.7Very low78 Ų78134.2 Ų134.255%0.54570%0.702SS.*  trans25.7118.5150.2590000122
989P29.6Very low24.5Very low132 Ų132135.4 Ų135.486%0.85771%0.707SS**  trans-80.2133.5134.833.6-29.4000109.8
990T22.7Very low24.6Very low110 Ų110134.1 Ų134.168%0.67571%0.705SS**  trans-155.7133.6170.8-370000112.7I992T990-I992 HydrophobicContact CG2-CD1 4.24Å; T990-I992 HydrophobicContact CG2-CG1 3.95Å
991I24.6Very low24.5Very low154 Ų154135.4 Ų135.479%0.7971%0.709SS**  trans-94.8120.7163.3-61168.3000107.3F993I991-F993 HydrophobicContact CG2-CE2 4.41Å
992I23.2Very low24.4Very low150 Ų150133.5 Ų133.577%0.76971%0.707SS**  trans-135.2139.5163.3-66.7-173.2000109.3T990T990-I992 HydrophobicContact CG2-CD1 4.24Å; T990-I992 HydrophobicContact CG2-CG1 3.95Å
993F21.9Very low24.4Very low164 Ų164132.7 Ų132.772%0.71971%0.707SS**  trans-81.9150.1-178.3-74.3-119.2000112.2I991 E995I991-F993 HydrophobicContact CG2-CE2 4.41Å; F993-E995 HydrophobicContact CB-CG 4.06Å
994K24.8Very low24.3Very low198 Ų198131.5 Ų131.586%0.86171%0.706SS**  -129.2103.1122.3-84.8-172172.1179.60106.8
995E21Very low24.3Very low130 Ų130134.1 Ų134.161%0.60771%0.708SS**  75.5138.265.6-73.9-166.2149.600113.5F993F993-E995 HydrophobicContact CB-CG 4.06Å
996N23.9Very low24.6Very low125 Ų125134.9 Ų134.967%0.66871%0.707SS**  trans68.9137.5165.9-53.3-51.3000115.2
997K27.5Very low24.7Very low153 Ų153135.6 Ų135.667%0.66571%0.706SS**  cis-165.2158-0.7-111176.2-173.4-71.70107.6
998E25.9Very low24.6Very low122 Ų122132.7 Ų132.757%0.5770%0.698SS**  cis-151.3136.6-3.3-166.8116.2-109.800111.5
999I22.8Very low24.6Very low125 Ų125133.5 Ų133.564%0.64170%0.704SS**  trans9.6118.1134.3-49.3166000117T1001I999-T1001 HydrophobicContact CG2-CG2 4.19Å
1000D25.5Very low24.6Very low134 Ų134133.8 Ų133.872%0.71770%0.698SS**  -172.3122.2107.7-109-34.8000108.9
1001T22.8Very low24.9Very low105 Ų105135.5 Ų135.564%0.64470%0.698SS**  47.8114.169.8107.60000115.7I999I999-T1001 HydrophobicContact CG2-CG2 4.19Å
1002S23.4Very low25Very low93 Ų93134.9 Ų134.965%0.6570%0.696SS**  148.5158.696.866.20000115
1003L24.8Very low25.2Very low143 Ų143133.5 Ų133.575%0.74969%0.69SS**  trans57105.4151.1-65.6157.4000119.3
1004V23.4Very low25.6Very low111 Ų111132 Ų13267%0.67369%0.689SS**  85146.356.5167.80000113.8
1005K24.5Very low25.8Very low166 Ų166127.7 Ų127.772%0.72268%0.68SS**  trans75.1143.2176.8-72.1149.2-174.3176.70114.3
1006N29.8Very low26Very low137 Ų137128.3 Ų128.373%0.73369%0.687SS**  cis-132.51350.1-90.5-39.8000109
1007H25.4Very low26.2Very low158 Ų158128.7 Ų128.773%0.73169%0.689SS**  93.6132.359.2-112.5-66.8000114.1
1008C25.3Very low26.1Very low99 Ų99129.2 Ų129.267%0.66969%0.693SS**  trans66.9119.8159.8-65.30000118.7
1009S24.5Very low26.1Very low95 Ų95130.3 Ų130.366%0.66470%0.702SS**  cis88.1125.431.680.60000115.4
1010N29.2Very low26.2Very low138 Ų138128.8 Ų128.874%0.73870%0.703SS**  trans171.8142.5148.7-87.4-17.6000107.4
1011Q29.3Very low26.1Very low146 Ų146127.2 Ų127.268%0.68270%0.702SS**  cis-158.3144.30.6-108165.21.100109.8
1012L25.8Very low26.2Very low140 Ų140127.1 Ų127.173%0.73371%0.706SS**  trans51.7146.4132.5-53171.8000120.2
1013N27.7Very low26.3Very low122 Ų122127.7 Ų127.765%0.65271%0.71SS**  cis-162.6165.57.7-130.8-4.3000114
1014N29.7Very low26.4Very low131 Ų131128.7 Ų128.770%0.70171%0.714SS**  trans75.1137.3159-58.3-4.9000118.5
1015T28.7Very low26.5Very low108 Ų108128.2 Ų128.266%0.66372%0.722SS**  cis-165.1143.1-8.518.70000109.9
1016L26.8Very low26.5Very low144 Ų144123.7 Ų123.775%0.75472%0.722SS**  trans49.8133.8141.2-52.8170.6000119.3
1017D27Very low26.7Very low133 Ų133123.8 Ų123.871%0.71173%0.73SS**  cis-157.2169.76.6-101.9-29.2000114.5
1018E26.4Very low26.7Very low164 Ų164121.1 Ų121.177%0.76673%0.73SS**  trans-29.3167.3162.8-61.8-170161.100120.1
1019L26.3Very low26.8Very low145 Ų145126 Ų12676%0.75974%0.74SS**  cis-161.4-172-12.9-110.7171000111.7
1020S23.8Very low26.9Very low92 Ų92127.9 Ų127.964%0.64374%0.742SS**  trans-81147-164.155.30000120.4
1021S24.1Very low26.8Very low101 Ų101128.5 Ų128.571%0.70674%0.74SS**  trans68.1116.2134.965.70000124.6
1022S25.3Very low26.7Very low104 Ų104125.8 Ų125.873%0.72773%0.734SS**  trans72100130.863.90000124.5
1023S24.7Very low26.7Very low105 Ų105129.6 Ų129.673%0.73474%0.74SS**  65.3130.2124.266.50000124.4
1024I26Very low26.7Very low163 Ų163130.3 Ų130.384%0.83674%0.743SS**  176.8136.4122.4-92.1156.8000112.2
1025A27Very low26.5Very low101 Ų101134.2 Ų134.284%0.83575%0.748SS**  trans51.3153.2165.500000119.8
1026G24.3Very low26.3Very low71 Ų71137.1 Ų137.173%0.73275%0.751SS**  cis115136.816.200000110
1027P33.7Very low26.1Very low139 Ų139135.2 Ų135.290%0.90375%0.746SS**  cis-142.8-149.939.343.2-21.7000115.3
1028S25.9Very low26Very low102 Ų102131.7 Ų131.771%0.71374%0.74SS**  trans-138.9150.6-162.659.50000116.9
1029F26.9Very low26Very low201 Ų201131 Ų13188%0.88274%0.742SS**  trans-160.6160.1168-76.8-38.2000109.2
1030L25.9Very low25.8Very low135 Ų135132.4 Ų132.471%0.70775%0.745SS**  cis-161-179.5-7.9-117.3-174.5000112.1
1031H27Very low25.9Very low152 Ų152133 Ų13370%0.70474%0.744SS**  trans5.2148.3149.7-88.3-45.7000122.5
1032T27.5Very low26Very low89 Ų89135.1 Ų135.155%0.54675%0.748SS.*  cis-155.1159.23.5-15.80000108.6L1034T1032-L1034 HydrophobicContact CG2-CD1 4.33Å
1033Y26.1Very low25.9Very low219 Ų219134.5 Ų134.586%0.85974%0.744SS**  -157.2162.462.2-119.7-83.9000114.3
1034L26.7Very low25.8Very low138 Ų138135.7 Ų135.772%0.72375%0.747SS**  trans-88.6-178.2-178.9-55.6105.8000112.1T1032T1032-L1034 HydrophobicContact CG2-CD1 4.33Å
1035R26.9Very low25.8Very low213 Ų213137.2 Ų137.280%0.80475%0.747SS**  cis-161.717026.3-140.9-170.6165.9-132.35.9107.4
1036K23.4Very low25.6Very low169 Ų169137.9 Ų137.974%0.73574%0.741SS**  cis71.3140.519.8-74.9-150.1162-163.80116.5
1037T23Very low25.5Very low104 Ų104142.2 Ų142.264%0.63875%0.746SS**  cis-162.8168.2-17.40000108.9
1038G25.9Very low25Very low58 Ų58147.6 Ų147.660%0.59875%0.749SS**  trans141.9118.7174.800000110.6
1039D25.3Very low24.9Very low151 Ų151148.8 Ų148.881%0.80775%0.752SS**  cis80131.947.8-49.7-23000111.2
1040E23.1Very low24.8Very low173 Ų173144 Ų14481%0.80874%0.743SS**  cis-166169.7-1.5-129.8-172.2-178.500112.6
1041V26Very low24.7Very low105 Ų105144.9 Ų144.964%0.63675%0.754SS**  trans72.4119.8146.1168.20000124
1042N25.5Very low24.4Very low145 Ų145148.9 Ų148.978%0.77576%0.763SS**  trans51.3155.2143.5-62.7-6.4000124
1043S22.7Very low24.2Very low92 Ų92149 Ų14964%0.64377%0.768SS**  cis-171.8141.5-25.456.60000113.1
1044T23.2Very low24Very low130 Ų130147.5 Ų147.580%0.79877%0.768SS**  trans55.8110.9156.658.50000122.6
1045K25.9Very low23.9Very low194 Ų194146.5 Ų146.584%0.84377%0.768SS**  -174.5130.9117.4-108.8-179.5179.6177.40116.3
1046T22.9Very low23.8Very low115 Ų115142.5 Ų142.571%0.70677%0.767SS**  trans46.5109.5146.753.90000123.8
1047L22.2Very low24.3Very low162 Ų162139.3 Ų139.385%0.84876%0.764SS**  45.7116.7122-66.4167.1000121.5
1048R22.5Very low24.3Very low252 Ų252142.4 Ų142.495%0.95177%0.771SS**  -168.718099.5-110.4178.8177.4161.80.5113.4
1049V24.6Very low24.2Very low128 Ų128146.2 Ų146.278%0.77678%0.778SS**  trans-116142.6-166.4171.70000112.2
1050S23.9Very low24.4Very low100 Ų100147.5 Ų147.570%0.69978%0.776SS**  trans63126.1162.366.50000120.2
1051T23.4Very low24.4Very low154 Ų154143.6 Ų143.695%0.94577%0.768SS**  -168.2-168117.618.20000110.2
1052R22.3Very low24.4Very low235 Ų235146 Ų14689%0.88778%0.778SS**  trans-106.6155.6-166.7-76.3175.3160.3158.2-7.1114.5
1053S22.3Very low24.7Very low92 Ų92148.2 Ų148.264%0.64378%0.783SS**  trans63.7117.4139.7590000121.9
1054E22.9Very low24.7Very low187 Ų187149.7 Ų149.787%0.87479%0.788SS**  trans65.1144.7133.1-55.4174.4176.900117.6
1055T23.3Very low24.8Very low117 Ų117148.6 Ų148.672%0.71879%0.785SS**  cis-150.5149.224.851.80000114.7
1056V26.2Very low25Very low129 Ų129147.4 Ų147.478%0.78279%0.788SS**  10.7132.3122.8178.30000117.2
1057P32.4Very low25.2Very low102 Ų102145.3 Ų145.366%0.66278%0.779SS**  -158.8144.396.839-17.7000121.9
1058Q24.6Very low25.4Very low170 Ų170144.5 Ų144.579%0.79477%0.773SS**  trans66.6144.7139.5-65-179.914.800120.1
1059N23.3Very low25.6Very low137 Ų137139.4 Ų139.473%0.73376%0.764SS**  -164173.451.4-143.3-41.9000115.4
1060K30.1Very low25.6Very low178 Ų178138.4 Ų138.477%0.77476%0.763SS**  trans78.183.6164.4-66.3-178.4178.7176.10122.1
1061S23.1Very low25.8Very low92 Ų92138.9 Ų138.964%0.64376%0.764SS**  54.6130.9111.168.10000124
1062N24.6Very low25.8Very low156 Ų156139.1 Ų139.183%0.83476%0.756SS**  trans67.4136.5147.4-54.2-12.3000117.5
1063Q32.1Very low26.1Very low191 Ų191134.1 Ų134.189%0.89375%0.747SS**  cis-140.2173.833.4-71.5179-30.700114.3
1064V22.5Very low26.4Very low123 Ų123138.7 Ų138.775%0.74576%0.758SS**  trans-120.8132.2-179173.10000110.9
1065S26.2Very low26.6Very low106 Ų106137.9 Ų137.974%0.74176%0.755SS**  trans-169.182.7161.643.30000114.5
1066N30.2Very low26.9Very low169 Ų169138.4 Ų138.490%0.90475%0.753SS**SBendtrans175.266.7136.2-89.7-11.8000110.4
1067S26.2Very low26.9Very low72 Ų72139.1 Ų139.150%0.50375%0.752SS.*  trans-88.2-166.4165.738.90000108.6
1068I26.6Very low26.7Very low144 Ų144137.1 Ų137.174%0.73875%0.745SS**  cis-151.3130.830.2-72.9175.2000105.9
1069L26Very low26.9Very low145 Ų145135.6 Ų135.676%0.75974%0.742SS**  67.9162.257.1-81.5108.7000115.5
1070S24.5Very low27.1Very low108 Ų108134.2 Ų134.276%0.75574%0.735SS**  trans-152.7148.8156.7-75.50000107.9
1071P29.4Very low26.9Very low110 Ų110131.4 Ų131.471%0.71472%0.724SS**  trans-93.4175.3-144.2-4.126.7000113.4
1072M22.5Very low27Very low158 Ų158133 Ų13378%0.77873%0.725SS**  54.6150.660.1-55.1-177.658.300113.1
1073D29.2Very low27.2Very low130 Ų130131.8 Ų131.870%0.69572%0.719SS**  cis-102.9-143.78.4-64.1-86.5000111.6
1074E28.9Very low26.9Very low189 Ų189126.8 Ų126.888%0.88371%0.705SS**  cis-155.2-169.77.4-150.9159.4-15300110
1075Q26.1Very low27.1Very low170 Ų170126.2 Ų126.279%0.79471%0.706SS**  trans-134.3175.4-155.6-155.797.1-300115
1076D29.4Very low27.1Very low128 Ų128129.4 Ų129.468%0.68471%0.71SS**  trans85.3169.3158.1-57.2-26.1000121.2
1077D27.1Very low26.9Very low143 Ų143127.7 Ų127.777%0.76570%0.696SS**  trans-124153-150.6-71.2-65.4000116.6
1078A27.7Very low26.9Very low61 Ų61127.1 Ų127.150%0.50469%0.692SS.*  trans61.8142.3156.100000119.5
1079D28.9Very low26.9Very low138 Ų138128.4 Ų128.474%0.73870%0.695SS**  cis-157.1148.128.3-101.1-33.1000113.8D2293D1079-D2293 CarbonylContact C-O 3.57Å
1080D28.1Very low26.9Very low108 Ų108132.3 Ų132.358%0.57870%0.7SS**  trans54.2115.9154-100.8-19.8000125.6D2293D1080-D2293 PolarHBondContact N-O 3.3Å
1081Q26.2Very low26.9Very low119 Ų119131.4 Ų131.456%0.55669%0.694SS**  trans71.5129.1139-68.3164.354.100119.8S2291 E2292Q1081-S2291 CarbonylContact O-C 2.93Å; Q1081-S2291 VanDerWaalsContact O-C 3.22Å; Q1081-S2291 VanDerWaalsContact O-O 3.1Å; Q1081-E2292 PolarHBondContact N-O 3.16Å
1082D25.4Very low26.7Very low124 Ų124130 Ų13066%0.66369%0.692SS**  -168.1177.651-146.8-15.2000115.1
1083D28.1Very low26.8Very low131 Ų131129.8 Ų129.870%0.70169%0.688SS**  trans71.681.4153.4-112.9-17.6000124.6
1084S26Very low26.6Very low87 Ų87131.1 Ų131.161%0.60869%0.694SS**  50.6125.5116.386.60000125.9
1085S26.5Very low26.3Very low110 Ų110128.3 Ų128.377%0.76968%0.684SS**  trans64.5154.4135.676.90000120.7
1086E26.8Very low26.3Very low174 Ų174126.9 Ų126.981%0.81369%0.687SS**  cis-131.5-173.61-54.8175.4125.800108.3
1087E25.8Very low25.9Very low133 Ų133127.1 Ų127.162%0.62169%0.688SS**  cis-159.4142.84.4-161.9-172.5-153.200108.1
1088S26.5Very low25.7Very low59 Ų59125 Ų12541%0.41368%0.676SS.*  trans-177.577.9150.5-81.10000114.7R2302 S2303S1088-R2302 VanDerWaalsContact OG-C 3.28Å; S1088-S2303 WeakPolarHBondContact OG-CB 3.45Å; S1088-S2303 PolarHBondContact OG-N 3.32Å
1089E25.5Very low25.5Very low171 Ų171125.1 Ų125.180%0.79968%0.683SS**  -99.4165.5127.6-63.8-163.1136.500106.6
1090W26.4Very low25.2Very low227 Ų227123 Ų12386%0.8667%0.665SS**  -155.3149.573.2-91.545.6000110.9
1091S24.2Very low25Very low90 Ų90124.4 Ų124.463%0.62966%0.662SS**  trans-85.2153.2159.4-73.20000111.5
1092A25.9Very low25Very low81 Ų81122.9 Ų122.967%0.66966%0.664SS**  trans62.9156.115600000118.6
1093H23.9Very low24.9Very low152 Ų152128 Ų12870%0.70468%0.675SS**  cis-153134.9-13.5-123.9-78.8000106.5D1095H1093-D1095 IonicContact ND1-OD1 2.68Å; H1093-D1095 IonicContact ND1-OD2 2.68Å
1094I25.9Very low24.7Very low159 Ų159129.4 Ų129.482%0.81568%0.677SS**  trans-141.6116.6152.8-65.7-172.6000108V1096I1094-V1096 HydrophobicContact CG2-CG2 4.33Å
1095D22Very low24.6Very low129 Ų129132.6 Ų132.669%0.6968%0.676SS**  trans-82.1135.1165.9-54.3-77000110.3H1093H1093-D1095 IonicContact ND1-OD1 2.68Å; H1093-D1095 IonicContact ND1-OD2 2.68Å
1096V25.9Very low24.5Very low141 Ų141136.9 Ų136.986%0.85568%0.675SS**  trans-132119.8150.8-1770000108.1I1094I1094-V1096 HydrophobicContact CG2-CG2 4.33Å
1097D22.1Very low24.3Very low132 Ų132133.9 Ų133.971%0.70666%0.656SS**  trans-82.8171.6-168-166.89000113
1098I22.3Very low24.2Very low100 Ų100136.4 Ų136.451%0.51366%0.66SS.*  trans70.2111.4157-70.6147.1000118.5
1099G23.5Very low24Very low62 Ų62139 Ų13964%0.63967%0.673SS**  trans-112.7-8417300000116.4
1100W22.5Very low23.9Very low94 Ų94137.8 Ų137.836%0.35666%0.661SS.*  trans71.4160.4-165.4-721.4000113.7Q1183 R1185 R1186W1100-Q1183 HydrophobicContact CE3-CG 4.08Å; W1100-Q1183 HydrophobicContact CZ3-CG 4Å; W1100-R1185 HydrophobicContact CH2-CB 4.1Å; W1100-R1185 WeakPolarHBondContact CH2-O 3.13Å; W1100-R1185 WeakPolarHBondContact CZ2-O 3.34Å; W1100-R1186 HydrophobicContact CH2-CB 3.6Å; W1100-R1186 HydrophobicContact CH2-CG 3.99Å; W1100-R1186 HydrophobicContact CZ2-CB 3.58Å; W1100-R1186 VanDerWaalsContact CZ2-CD 3.48Å; W1100-R1186 HydrophobicContact CZ2-CG 3.45Å; W1100-R1186 VanDerWaalsContact CZ2-CG 3.45Å
1101W24.5Very low23.8Very low137 Ų137131.8 Ų131.852%0.51964%0.639SS.*  cis-141.7162.330.1-102.477.7000113.7R1182W1101-R1182 HydrophobicContact CH2-CG 4.05Å; W1101-R1182 HydrophobicContact CZ2-CB 4.16Å; W1101-R1182 HydrophobicContact CZ2-CG 3.85Å; W1101-R1182 WeakPolarHBondContact CZ2-O 3.23Å; W1101-R1182 HydrophobicContact CZ3-CG 4.47Å; W1101-R1182 PolarHBondContact NE1-O 3.32Å
1102S25.7Very low23.8Very low87 Ų87131.3 Ų131.361%0.60863%0.627SS**  trans-87.2130.1167.858.50000112.9
1103R23.3Very low23.7Very low233 Ų233130.9 Ų130.988%0.87962%0.615SS**  trans-163.6168.1137.7-122-176.1175.6176.20.8113.3
1104Q22.9Very low23.7Very low160 Ų160128.6 Ų128.675%0.74861%0.608SS**  trans-74.5168.6-168.3-61.5123.2-7300115.3
1105R23.7Very low23.6Very low154 Ų154124.6 Ų124.658%0.58159%0.592SS**  trans10.6121.8146.7-68176.9167-159.7-10.1116.4D507D507-R1105 IonicContact OD2-CZ 2.69Å; D507-R1105 VanDerWaalsContact OD2-CZ 3.31Å; D507-R1105 IonicContact OD2-NH1 3.79Å; D507-R1105 PolarHBondContact OD2-NH1 3.01Å; D507-R1105 IonicContact OD2-NH2 3.91Å; D507-R1105 PolarHBondContact OD2-NH2 3.1Å
1106R24.6Very low23.7Very low200 Ų200124 Ų12476%0.75559%0.588SS**  -153146.997.5-100.9173.5-177.5-170.8-0.6109.4E508E508-R1106 IonicContact OE2-NH2 2.72Å; E508-R1106 PolarHBondContact OE2-NH2 3.46Å
1107R23Very low23.6Very low110 Ų110122.4 Ų122.442%0.41558%0.575SS.*  trans-87.3179.5175.4-31.7159.885-166.113.6108.9Q502 Q505Q502-R1107 VanDerWaalsContact O-CZ 3.26Å; Q502-R1107 PolarHBondContact O-NH1 3.4Å; Q502-R1107 PolarHBondContact O-NH2 2.63Å; Q505-R1107 HydrophobicContact CG-CG 4.43Å; Q505-R1107 VanDerWaalsContact NE2-N 3.2Å; Q505-R1107 PolarHBondContact NE2-O 2.93Å
1108R23.5Very low23.7Very low186 Ų186121.3 Ų121.370%0.70257%0.573SS**  trans95.1130.3176.1-63.3-174.7-177-173.4-0.9114.7
1109T22.8Very low23.9Very low113 Ų113121.5 Ų121.569%0.69357%0.574SS**  cis173.1157.6-27.324.60000106
1110R23.1Very low24.2Very low146 Ų146122.2 Ų122.255%0.55157%0.574SS**  trans70.2140.2174.2-32.5-165.597.7124.39.6110.6Y2317R1110-Y2317 PolarHBondContact NH1-OH 3.37Å; R1110-Y2317 PolarHBondContact NH2-OH 3.18Å; R1110-Y2317 VanDerWaalsContact NH2-OH 3.12Å
1111R25.3Very low24.7Very low101 Ų101119.5 Ų119.538%0.38157%0.57SS.*  cis-139.5-17822.8-69.4-177.5174-119.81110.8F2313 S2314 Q2315R1111-F2313 WeakPolarHBondContact O-CD1 3.25Å; R1111-S2314 VanDerWaalsContact CB-CA 3.47Å; R1111-S2314 WeakPolarHBondContact CD-O 3.48Å; R1111-S2314 VanDerWaalsContact CD-OG 3.23Å; R1111-S2314 WeakPolarHBondContact CD-OG 3.39Å; R1111-Q2315 HydrophobicContact CB-CB 3.4Å; R1111-Q2315 VanDerWaalsContact CB-CB 3.4Å; R1111-Q2315 HydrophobicContact CB-CG 4.5Å; R1111-Q2315 HydrophobicContact CG-CB 3.69Å; R1111-Q2315 PolarHBondContact NH1-O 3.25Å
1112Q22.9Very low24.9Very low81 Ų81115.7 Ų115.738%0.37956%0.559SS.*  trans-132.4169179.395.6-67.3-9.600115F2313 S2314 Q2315Q1112-F2313 VanDerWaalsContact C-CA 3.48Å; Q1112-F2313 VanDerWaalsContact CA-CD1 3.48Å; Q1112-F2313 HydrophobicContact CB-CD1 3.93Å; Q1112-F2313 HydrophobicContact CB-CD2 4.29Å; Q1112-F2313 HydrophobicContact CB-CE1 3.69Å; Q1112-F2313 HydrophobicContact CB-CE2 4.09Å; Q1112-F2313 HydrophobicContact CB-CG 4.17Å; Q1112-F2313 HydrophobicContact CB-CZ 3.76Å; Q1112-S2314 CarbonylContact O-C 3.57Å; Q1112-S2314 WeakPolarHBondContact O-CA 3.25Å; Q1112-S2314 PolarHBondContact O-N 3.33Å; Q1112-Q2315 PolarHBondContact O-N 2.73Å
1113V24.4Very low25Very low72 Ų72116.3 Ų116.344%0.43656%0.556SS.*  trans106.5115.6178.3-179.40000118.9S2312 F2313V1113-S2312 CarbonylContact O-C 3.39Å; V1113-F2313 WeakPolarHBondContact O-CA 3.15Å; V1113-F2313 PolarHBondContact O-N 3.03Å
1114N23.8Very low25.3Very low103 Ų103109.7 Ų109.755%0.55154%0.541SS*.  trans80.1153.6153.7-69.66.8000122.8P2311 S2312 F2313N1114-P2311 CarbonylContact O-C 3.05Å; N1114-S2312 CarbonylContact O-C 3.59Å; N1114-S2312 PolarHBondContact O-N 3.06Å; N1114-F2313 PolarHBondContact O-N 2.77Å
1115T24.2Very low25.5Very low76 Ų76108.3 Ų108.347%0.46654%0.535SS..  cis-153145.1-29.416.30000113
1116N23.6Very low25.6Very low117 Ų117107.5 Ų107.563%0.62654%0.538SS*.  trans33.8134.7137.9-63.732.9000124.6
1117D24.3Very low25.6Very low107 Ų107102.6 Ų102.657%0.57253%0.526SS*.  71.1157.5129.4-64.6-18.8000123K2308 I2309D1117-K2308 CarbonylContact C-O 2.95Å; D1117-K2308 CarbonylContact O-C 3.58Å; D1117-I2309 PolarHBondContact O-N 2.87Å
1118V25Very low25.6Very low109 Ų10999.4 Ų99.466%0.66152%0.52SS*.  cis-149.9169.1-39.6106.80000112.4K2308V1118-K2308 CarbonylContact C-O 3.57Å; V1118-K2308 VanDerWaalsContact CA-O 3.25Å; V1118-K2308 WeakPolarHBondContact CA-O 3.43Å; V1118-K2308 PolarHBondContact N-O 2.85Å
1119L25.9Very low25.7Very low104 Ų10492.6 Ų92.655%0.54550%0.501SS..  trans-84.3108.6-147.6-59.8171.5000119.3K2306 R2307L1119-K2306 VanDerWaalsContact C-C 3.45Å; L1119-K2306 CarbonylContact C-O 3.48Å; L1119-K2306 PolarHBondContact O-N 3.33Å; L1119-R2307 WeakPolarHBondContact CA-O 3.31Å
1120A30.3Very low25.9Very low77 Ų7791.8 Ų91.864%0.63649%0.493SS*.  trans-141.3141.3170.800000118.4K2306 R2307A1120-K2306 CarbonylContact C-O 3.59Å; A1120-K2306 WeakPolarHBondContact CA-O 3.32Å; A1120-K2306 PolarHBondContact N-O 3.36Å; A1120-R2307 PolarHBondContact N-O 2.92Å; A1120-R2307 WeakPolarHBondContact O-CB 3.44Å; A1120-R2307 WeakPolarHBondContact O-CD 3.17Å
1121S31.3Very low26.1Very low37 Ų3790 Ų9026%0.25949%0.493SS..  trans-170170.1-167.158.70000117.2K2306 R2307S1121-K2306 WeakPolarHBondContact CB-O 3.3Å; S1121-K2306 PolarHBondContact N-O 2.94Å; S1121-K2306 PolarHBondContact OG-O 3.24Å; S1121-R2307 VanDerWaalsContact CB-CD 3.44Å; S1121-R2307 VanDerWaalsContact CB-NE 3.26Å
1122N29.4Very low26Very low56 Ų5690.2 Ų90.230%0.29950%0.501SS..  cis-127-91.320.8-74.5-82.8000119.2R2305 R2307N1122-R2305 VanDerWaalsContact ND2-CZ 3.32Å; N1122-R2305 PolarHBondContact ND2-NE 2.79Å; N1122-R2307 VanDerWaalsContact CA-NH2 3.3Å; N1122-R2307 PolarHBondContact O-NH1 2.76Å; N1122-R2307 PolarHBondContact O-NH2 2.85Å; N1122-R2307 VanDerWaalsContact O-NH2 3.09Å; N1122-R2307 PolarHBondContact OD1-NH2 3.28Å
1123D27.9Very low25.9Very low100 Ų10090.6 Ų90.654%0.53551%0.506SS..  cis-161.6170.5-19.2-142.8-8.3000117R2305D1123-R2305 IonicContact OD1-NH2 2.77Å; D1123-R2305 PolarHBondContact OD1-NH2 3.5Å; D1123-R2305 IonicContact OD2-CZ 3.38Å; D1123-R2305 IonicContact OD2-NH1 3.52Å; D1123-R2305 PolarHBondContact OD2-NH1 3.19Å; D1123-R2305 IonicContact OD2-NH2 3.57Å; D1123-R2305 PolarHBondContact OD2-NH2 3.49Å
1124T29.9Very low25.7Very low94 Ų9497.8 Ų97.858%0.57753%0.525SS*.  trans56.2120.7153.136.50000127.2
1125E26.1Very low25.7Very low132 Ų13297.9 Ų97.962%0.61753%0.53SS*.  135138104.5-101.2-168.6131.900125.1
1126Q26.4Very low25.6Very low137 Ų137101 Ų10164%0.6454%0.539SS*.  trans84.6114.9140.9-72.8-168.720.900129.3
1127L24.6Very low25.6Very low96 Ų96100.7 Ų100.750%0.50354%0.535SS..  96.3105.6124.4-73.9175.3000126R2276 R2277L1127-R2276 PolarHBondContact O-NH2 3.39Å; L1127-R2277 PolarHBondContact O-NH2 3.1Å
1128S23.7Very low25.8Very low43 Ų43103.9 Ų103.930%0.30155%0.552SS.*  78.6152.112177.50000120.8R2275 R2276S1128-R2275 PolarHBondContact O-NE 2.89Å; S1128-R2276 VanDerWaalsContact O-CZ 3.27Å; S1128-R2276 PolarHBondContact O-NE 3.48Å; S1128-R2276 PolarHBondContact O-NH2 3.1Å; S1128-R2276 VanDerWaalsContact O-NH2 3.08Å; S1128-R2276 WeakPolarHBondContact OG-CG 3.05Å
1129S25.5Very low26.3Very low43 Ų43105.2 Ų105.230%0.30156%0.555SS.*  cis-162.6171.6-8.520.50000109.4R2275S1129-R2275 VanDerWaalsContact O-CB 3.3Å; S1129-R2275 WeakPolarHBondContact O-CB 3.4Å; S1129-R2275 WeakPolarHBondContact O-CD 3.04Å; S1129-R2275 WeakPolarHBondContact O-CG 3.28Å; S1129-R2275 PolarHBondContact O-NE 3.17Å; S1129-R2275 WeakPolarHBondContact OG-CA 3.37Å
1130N27.6Very low26.5Very low96 Ų96106 Ų10651%0.51356%0.56SS.*  trans32.9131.7166.6-35.2-7.5000120.9R2273 R2274 R2275N1130-R2273 WeakPolarHBondContact CB-O 3.24Å; N1130-R2273 PolarHBondContact ND2-O 2.77Å; N1130-R2274 WeakPolarHBondContact O-CG 3.4Å; N1130-R2275 PolarHBondContact ND2-N 3.38Å
1131I26.3Very low26.5Very low108 Ų108107.6 Ų107.655%0.55456%0.557SS**  57.8140.576.6-99.3171.3000113.6R2273 R2274I1131-R2273 CarbonylContact O-C 3.49Å; I1131-R2273 VanDerWaalsContact O-CA 3.24Å; I1131-R2273 WeakPolarHBondContact O-CA 3.42Å; I1131-R2274 WeakPolarHBondContact O-CA 3.34Å; I1131-R2274 PolarHBondContact O-N 2.72Å
1132L22.5Very low26.4Very low107 Ų107111.3 Ų111.356%0.5657%0.574SS**  cis-159.9-168.3-21.5-132.1179.9000108.5N2272 R2273L1132-N2272 WeakPolarHBondContact CB-OD1 3.36Å; L1132-R2273 WeakPolarHBondContact O-CG 3.45Å; L1132-R2273 PolarHBondContact O-NE 3.03Å
1133N21.4Very low26.4Very low88 Ų88113.5 Ų113.547%0.47158%0.583SS.*  trans59134.1178.2-88.111.3000119.5N2272 R2273N1133-N2272 WeakPolarHBondContact CB-OD1 3.28Å; N1133-N2272 VanDerWaalsContact CG-OD1 3.3Å; N1133-N2272 PolarHBondContact ND2-ND2 2.68Å; N1133-N2272 VanDerWaalsContact ND2-ND2 3.12Å; N1133-R2273 PolarHBondContact O-NH2 2.83Å
1134R20.7Very low26.2Very low224 Ų224111.9 Ų111.985%0.84558%0.576SS**  trans31111.1155.1-71.4-175.3173.9173-4119.2R2273R1134-R2273 PolarHBondContact O-NH2 3.22Å; R1134-R2273 VanDerWaalsContact O-NH2 3.1Å
1135T22.5Very low26Very low105 Ų105111 Ų11164%0.64457%0.568SS**  -156.7145.4126.844.80000104.6
1136E22.9Very low25.9Very low141 Ų141112.9 Ų112.966%0.65958%0.577SS**  43.3122.195.4-49135.7173.600111.7
1137M23.6Very low25.8Very low110 Ų110114 Ų11454%0.54259%0.587SS.*SBend54.212762.3-53.6179.2-50.400111.1L1139M1137-L1139 PolarHBondContact O-N 3.39Å
1138D29.4Very low25.7Very low174 Ų174117.3 Ų117.393%0.9361%0.605SS**SBendtrans-76.678149.7-67.4-57000106.2
1139L33.6Very low25.6Very low137 Ų137120.1 Ų120.172%0.71762%0.624SS**SBendtrans76.4138.9178.4-50.5167.2000117.5M1137M1137-L1139 PolarHBondContact O-N 3.39Å
1140D31.1Very low25.5Very low121 Ų121122.1 Ų122.165%0.64764%0.639SS**  trans61.2112.6150.7-47.9-22.4000123.6
1141N30.7Very low25.4Very low111 Ų111125.6 Ų125.659%0.59465%0.649SS**  trans70.3130.4142.5-57.4-8.3000124.8
1142D29.6Very low25.5Very low115 Ų115130.6 Ų130.662%0.61566%0.663SS**  trans62.6114131.9-54.5-22000125.9
1143E27.8Very low25.6Very low102 Ų102132.6 Ų132.648%0.47767%0.674SS.*  40.5107108-79.9179.1-15500124.5K1959E1143-K1959 HydrophobicContact CB-CD 4.43Å; E1143-K1959 HydrophobicContact CG-CB 4.27Å; E1143-K1959 HydrophobicContact CG-CD 3.2Å; E1143-K1959 HydrophobicContact CG-CG 4.39Å; E1143-K1959 WeakPolarHBondContact OE1-CD 3.46Å; E1143-K1959 IonicContact OE1-NZ 2.65Å; E1143-K1959 PolarHBondContact OE1-NZ 3.18Å
1144T25.3Very low25.8Very low65 Ų65132.8 Ų132.840%0.39969%0.688SS.*  96.8137126.265.30000123.9S1958 K1959T1144-S1958 PolarHBondContact N-O 3.22Å; T1144-K1959 WeakPolarHBondContact CA-O 3.5Å; T1144-K1959 HydrophobicContact CG2-CB 3.65Å
1145N24.7Very low26.1Very low75 Ų75125.7 Ų125.740%0.40168%0.684SS.*  trans57.2114.6141.9-76.158.4000122.7K1959 H1960 S1961N1145-K1959 PolarHBondContact N-O 3.36Å; N1145-K1959 PolarHBondContact OD1-O 3.32Å; N1145-H1960 PolarHBondContact OD1-N 3.13Å; N1145-S1961 PolarHBondContact OD1-N 2.88Å
1146E23.7Very low26.1Very low172 Ų172128.7 Ų128.780%0.80470%0.697SS**  65.2142.4120.1-65.7170.6161.900122.4
1147D23.8Very low26.3Very low161 Ų161127 Ų12786%0.86171%0.707SS**  trans-69.7139.9-171.5-57.4-84.3000114.8
1148L23.3Very low26.3Very low166 Ų166127 Ų12787%0.86972%0.717SS**  trans-165.1152.9135.7-111.1170.9000113.1
1149S22.7Very low26.3Very low101 Ų101126.9 Ų126.971%0.70672%0.716SS**  trans74.9128.3165.780.30000119.8
1150S22.6Very low25.9Very low86 Ų86125.8 Ų125.860%0.60172%0.72SS**  trans13.2147.3134.6570000119.8
1151F24.5Very low25.7Very low169 Ų169124.7 Ų124.774%0.74172%0.721SS**  cis-139168.131.3-73.4-110.6000110.5
1152Y29.3Very low25.5Very low212 Ų212124.1 Ų124.183%0.83173%0.726SS**  cis-141.1146.520.7-92.2-91.2000112.1
1153D24.5Very low25.4Very low149 Ų149126.9 Ų126.980%0.79774%0.735SS**  trans-70.2138.9156.5-86.4-57.1000110.3
1154A24.7Very low25.4Very low92 Ų92127.8 Ų127.876%0.7675%0.748SS**  82.5130.563.300000113.5
1155G27.2Very low25.4Very low75 Ų75131.6 Ų131.677%0.77377%0.765SS**  trans17563.6-169.100000115.9
1156D23.7Very low25.6Very low169 Ų169133.8 Ų133.890%0.90478%0.782SS**  trans45.3169.6140.9-84.8-19000126.4
1157A25.7Very low25.8Very low105 Ų105131.8 Ų131.887%0.86878%0.776SS**  trans85.9156.9158.100000120.2
1158S24.5Very low26.1Very low109 Ų109131.3 Ų131.376%0.76277%0.769SS**  trans-151.4141.1-159.659.50000114.2
1159L29.7Very low26.2Very low173 Ų173130.7 Ų130.791%0.90677%0.767SS**  trans-149.2154.2167.8-71.6175000108.2
1160S25.8Very low26.9Very low114 Ų114129.1 Ų129.180%0.79777%0.767SS**  cis-159.7-163.8-17.653.20000109.1
1161S26Very low27.5Very low98 Ų98130.4 Ų130.469%0.68577%0.773SS**  trans-115.5173.3-160.258.40000116.4
1162S26.3Very low27.7Very low98 Ų98129.2 Ų129.269%0.68577%0.774SS**  trans67.3149.6150.642.40000119
1163H28.2Very low27.8Very low174 Ų174124.9 Ų124.981%0.80677%0.77SS**  cis-158.7-175-9.7-119.5-56.2000111
1164T27Very low28Very low121 Ų121127 Ų12774%0.74278%0.775SS**  trans61.793.5164.3500000120.7
1165D25.2Very low28.2Very low144 Ų144125.7 Ų125.777%0.7777%0.77SS**  60.696.4121.7-57.62.5000122.5
1166T28.5Very low28.3Very low121 Ų121133.2 Ų133.274%0.74278%0.775SS**  trans6398.1138.155.80000121.4
1167N29.3Very low28.7Very low130 Ų130132.4 Ų132.470%0.69577%0.769SS**  117.6114118-79.3-27.7000119.7
1168Q29.2Very low28.8Very low151 Ų151137.6 Ų137.671%0.70677%0.766SS**  trans60106.2134.6-58179.429.400116.8
1169N26.1Very low28.8Very low154 Ų154142.5 Ų142.582%0.82477%0.768SS**  -170160.352.4-83.9-59.2000111.4
1170G35.9Very low28.5Very low68 Ų68139.5 Ų139.570%0.70176%0.761SS**  trans-127.1166.9164.500000111.2
1171P36.6Very low28.5Very low112 Ų112140 Ų14073%0.72776%0.755SS**  trans-139.9153.116038.8-24.4000115.8
1172N29.3Very low28.6Very low145 Ų145144.2 Ų144.278%0.77576%0.756SS**  trans69.1161.9148.2-60.4-8.7000120.4
1173T29.6Very low28.5Very low121 Ų121145.3 Ų145.374%0.74275%0.75SS**  -178.4122.5-72.536.10000110.2
1174E30.2Very low28.5Very low194 Ų194145.7 Ų145.791%0.90775%0.752SS**  trans177.7152.3138.6-102.4-171.7-176.700109.7
1175G28.6Very low28.4Very low63 Ų63150 Ų15065%0.64975%0.754SS**  cis179.4168-7.500000115.4
1176R28.8Very low28.4Very low234 Ų234147.3 Ų147.388%0.88373%0.734SS**  trans76.6150.4160.6-66-174173.6-164.6-1.8121.1
1177I32.6Very low28.3Very low152 Ų152148.8 Ų148.878%0.77974%0.736SS**  trans54.874.8173.5-53.8168.9000114.4
1178R28Very low28.4Very low214 Ų214150.8 Ų150.881%0.80875%0.746SS**  69.7143.774-68.8-174.7176-175.80.5114.5
1179R24.6Very low28.5Very low211 Ų211147.3 Ų147.380%0.79674%0.735SS**  cis176.7142.4-27.4-117.4-179-167.9177.22.6105.5
1180S23.6Very low28.5Very low110 Ų110147.5 Ų147.577%0.76973%0.728SS**  trans58.9171.4165.863.40000115.1
1181L25.8Very low28.5Very low125 Ų125150.2 Ų150.265%0.65472%0.718SS**  cis-103.5157.8-8-90.187.6000109.5Q1183L1181-Q1183 PolarHBondContact O-N 3.1Å
1182R28.4Very low28.6Very low187 Ų187155.2 Ų155.271%0.70672%0.722SS**  48.343.371.1-122.1-172.5-171.5179.53.6112.3W1101W1101-R1182 HydrophobicContact CH2-CG 4.05Å; W1101-R1182 HydrophobicContact CZ2-CB 4.16Å; W1101-R1182 HydrophobicContact CZ2-CG 3.85Å; W1101-R1182 WeakPolarHBondContact CZ2-O 3.23Å; W1101-R1182 HydrophobicContact CZ3-CG 4.47Å; W1101-R1182 PolarHBondContact NE1-O 3.32Å
1183Q24.3Very low28.8Very low121 Ų121153.3 Ų153.357%0.56571%0.711SS**  trans-152.6179.6166.5-110.2164.314.500112.6W1100 L1181W1100-Q1183 HydrophobicContact CE3-CG 4.08Å; W1100-Q1183 HydrophobicContact CZ3-CG 4Å; L1181-Q1183 PolarHBondContact O-N 3.1Å
1184Q27.2Very low29Very low182 Ų182153.7 Ų153.785%0.8571%0.706SS**  trans68.226.5-179.2-67.3-166.4-13.200119.3R1186Q1184-R1186 PolarHBondContact O-N 3.04Å; Q1184-R1186 VanDerWaalsContact O-N 3.15Å
1185R26Very low29.8Very low210 Ų210151.6 Ų151.679%0.79269%0.69SS**  trans-8049.6146.8-148.8-178.9-163.4-165.75.9110W1100W1100-R1185 HydrophobicContact CH2-CB 4.1Å; W1100-R1185 WeakPolarHBondContact CH2-O 3.13Å; W1100-R1185 WeakPolarHBondContact CZ2-O 3.34Å
1186R25Very low30.4Very low88 Ų88155.4 Ų155.433%0.33269%0.691SS.*  trans-145.556.5-156.1-151.9173.9-162.5164.16.9116.8W1100 Q1184W1100-R1186 HydrophobicContact CH2-CB 3.6Å; W1100-R1186 HydrophobicContact CH2-CG 3.99Å; W1100-R1186 HydrophobicContact CZ2-CB 3.58Å; W1100-R1186 VanDerWaalsContact CZ2-CD 3.48Å; W1100-R1186 HydrophobicContact CZ2-CG 3.45Å; W1100-R1186 VanDerWaalsContact CZ2-CG 3.45Å; Q1184-R1186 PolarHBondContact O-N 3.04Å; Q1184-R1186 VanDerWaalsContact O-N 3.15Å
1187L26.6Very low30.8Very low153 Ų153146.8 Ų146.880%0.80167%0.67SS**SBendtrans-140.712161-116.2171000115.8
1188L31Very low31.5Very low171 Ų171145 Ų14590%0.89566%0.656SS**SBendtrans-125.721.8170.3-119.5166.4000113.6
1189V29.7Very low32.6Very low78 Ų78141.3 Ų141.347%0.47365%0.646SS.*SBendtrans-114-9170.5177.60000111.2L1193V1189-L1193 HydrophobicContact CG1-CD1 4.31Å
1190K27.2Very low33.3Very low158 Ų158134 Ų13469%0.68763%0.631SS**Hα-helixtrans-75.1-34.2-174.7-144.6-179.4-179.4-167.10113.1M1194K1190-M1194 WeakPolarHBondContact O-CG 3.21Å
1191R36.4Very low34Very low126 Ų126135.1 Ų135.148%0.47562%0.624SS.*Hα-helixtrans-76.1-26.1176.8-68.7-170.9-178.91790.6114.3D2108 D2110R1191-D2108 IonicContact CZ-OD1 2.91Å; R1191-D2108 IonicContact CZ-OD2 2.95Å; R1191-D2108 VanDerWaalsContact NH1-CG 3.31Å; R1191-D2108 IonicContact NH1-OD1 3.94Å; R1191-D2108 IonicContact NH1-OD2 2.72Å; R1191-D2108 PolarHBondContact NH1-OD2 3.01Å; R1191-D2108 IonicContact NH2-OD1 2.71Å; R1191-D2108 PolarHBondContact NH2-OD1 2.91Å; R1191-D2108 IonicContact NH2-OD2 3.64Å; R1191-D2108 PolarHBondContact NH2-OD2 3.38Å; R1191-D2110 IonicContact CZ-OD2 2.63Å; R1191-D2110 IonicContact NH2-OD2 2.78Å; R1191-D2110 PolarHBondContact NH2-OD2 3.47Å
1192R38.1Very low35Very low216 Ų216132.1 Ų132.182%0.81562%0.617SS**Hα-helixtrans-71.6-41.5174.5-108.4-176.7-177178.12.2112.6R1195 E1196R1192-R1195 PolarHBondContact O-N 3.06Å; R1192-E1196 PolarHBondContact O-N 3.34Å
1193L33.2Very low35.8Very low106 Ų106129.8 Ų129.856%0.55561%0.608SS**Hα-helixtrans-70-34.6179.8-83.2162.9000113.8V1189 R1195 E1196 A1197V1189-L1193 HydrophobicContact CG1-CD1 4.31Å; L1193-R1195 VanDerWaalsContact C-N 3.31Å; L1193-R1195 PolarHBondContact O-N 3.21Å; L1193-E1196 PolarHBondContact O-N 2.71Å; L1193-E1196 VanDerWaalsContact O-N 3.17Å; L1193-A1197 WeakPolarHBondContact O-CB 3.41Å; L1193-A1197 PolarHBondContact O-N 2.83Å
1194M34.5Very low36.5Very low129 Ų129126.8 Ų126.864%0.63560%0.604SS**Hα-helixtrans-62.6-35.6176.1-69.1-67.1-75.900112.8K1190 E1196 K1198K1190-M1194 WeakPolarHBondContact O-CG 3.21Å; M1194-E1196 VanDerWaalsContact C-N 3.35Å; M1194-K1198 PolarHBondContact O-N 3.39Å
1195R46.9Very low37.1Very low150 Ų150120.8 Ų120.857%0.56659%0.586SS**Hα-helixtrans-71-25.6175.5-82.3179.9166.1173.2-4.4113.4R1192 L1193 K1199 T2107R1192-R1195 PolarHBondContact O-N 3.06Å; L1193-R1195 VanDerWaalsContact C-N 3.31Å; L1193-R1195 PolarHBondContact O-N 3.21Å; R1195-K1199 WeakPolarHBondContact O-CB 3.29Å; R1195-K1199 WeakPolarHBondContact O-CD 3.37Å; R1195-K1199 VanDerWaalsContact O-CG 3.3Å; R1195-K1199 WeakPolarHBondContact O-CG 3.37Å; R1195-T2107 PolarHBondContact NH2-OG1 3.32Å
1196E41.3Very low37.9Very low142 Ų142118.7 Ų118.766%0.66458%0.578SS**Hα-helixtrans-85.6-35.5172.7-66.2-152.4113.200112.6R1192 L1193 M1194 K1199 A1200R1192-E1196 PolarHBondContact O-N 3.34Å; L1193-E1196 PolarHBondContact O-N 2.71Å; L1193-E1196 VanDerWaalsContact O-N 3.17Å; M1194-E1196 VanDerWaalsContact C-N 3.35Å; E1196-K1199 CarbonylContact O-C 3.48Å; E1196-K1199 WeakPolarHBondContact O-CA 3.39Å; E1196-K1199 PolarHBondContact O-N 3.41Å; E1196-A1200 PolarHBondContact O-N 3.26Å
1197A37Very low38.6Very low54 Ų54116.8 Ų116.845%0.44658%0.581SS.*Hα-helixtrans-58.6-55.617600000112.1L1193 K1199 A1200 E1201L1193-A1197 WeakPolarHBondContact O-CB 3.41Å; L1193-A1197 PolarHBondContact O-N 2.83Å; A1197-K1199 PolarHBondContact O-N 3.21Å; A1197-A1200 WeakPolarHBondContact O-CA 3.18Å; A1197-A1200 WeakPolarHBondContact O-CB 3.41Å; A1197-A1200 PolarHBondContact O-N 2.84Å; A1197-E1201 WeakPolarHBondContact O-CB 3.36Å; A1197-E1201 PolarHBondContact O-N 3.01Å
1198K45.9Very low38.9Very low114 Ų114115.5 Ų115.550%0.49657%0.571SS.*Hα-helixtrans-60.6-30.7175.1-78.9-164.5171.4-1690112.8M1194 A1200 A1202M1194-K1198 PolarHBondContact O-N 3.39Å; K1198-A1200 VanDerWaalsContact C-N 3.31Å; K1198-A1200 PolarHBondContact O-N 3.37Å; K1198-A1202 WeakPolarHBondContact O-CB 3.31Å; K1198-A1202 PolarHBondContact O-N 3.46Å; K1198-A1202 VanDerWaalsContact O-N 3.08Å
1199K51.1Low39.2Very low136 Ų136114 Ų11459%0.59156%0.562SS**Hα-helixtrans-77.4-9.1173.3-74-177.8178.1-178.70113.7R1195 E1196 A1197 R1203R1195-K1199 WeakPolarHBondContact O-CB 3.29Å; R1195-K1199 WeakPolarHBondContact O-CD 3.37Å; R1195-K1199 VanDerWaalsContact O-CG 3.3Å; R1195-K1199 WeakPolarHBondContact O-CG 3.37Å; E1196-K1199 CarbonylContact O-C 3.48Å; E1196-K1199 WeakPolarHBondContact O-CA 3.39Å; E1196-K1199 PolarHBondContact O-N 3.41Å; A1197-K1199 PolarHBondContact O-N 3.21Å; K1199-R1203 WeakPolarHBondContact O-CD 3.42Å; K1199-R1203 WeakPolarHBondContact O-CG 3.32Å; K1199-R1203 VanDerWaalsContact O-CZ 3.32Å; K1199-R1203 PolarHBondContact O-NH1 2.88Å
1200A39.1Very low39.3Very low57 Ų57116.8 Ų116.847%0.47157%0.57SS.*Hα-helixtrans-95.6-41.8169.200000111E1196 A1197 K1198 R1203 A1204E1196-A1200 PolarHBondContact O-N 3.26Å; A1197-A1200 WeakPolarHBondContact O-CA 3.18Å; A1197-A1200 WeakPolarHBondContact O-CB 3.41Å; A1197-A1200 PolarHBondContact O-N 2.84Å; K1198-A1200 VanDerWaalsContact C-N 3.31Å; K1198-A1200 PolarHBondContact O-N 3.37Å; A1200-R1203 CarbonylContact O-C 3.59Å; A1200-R1203 WeakPolarHBondContact O-CA 3.21Å; A1200-R1203 WeakPolarHBondContact O-CB 3.45Å; A1200-R1203 PolarHBondContact O-N 3.31Å; A1200-A1204 PolarHBondContact O-N 2.81Å
1201E40.2Very low39.4Very low134 Ų134117.1 Ų117.163%0.62657%0.571SS**Hα-helixtrans-58.7-47.2176.1-163.9166.8-140.700111.6A1197 R1203 A1204 A1205A1197-E1201 WeakPolarHBondContact O-CB 3.36Å; A1197-E1201 PolarHBondContact O-N 3.01Å; E1201-R1203 PolarHBondContact O-N 3.38Å; E1201-R1203 VanDerWaalsContact O-N 3.11Å; E1201-A1204 PolarHBondContact O-N 2.91Å; E1201-A1204 VanDerWaalsContact O-N 3.1Å; E1201-A1205 PolarHBondContact O-N 2.8Å
1202A46.8Very low38.9Very low62 Ų62120 Ų12051%0.51259%0.587SS.*Hα-helixtrans-66.4-9.4172.500000114.7K1198K1198-A1202 WeakPolarHBondContact O-CB 3.31Å; K1198-A1202 PolarHBondContact O-N 3.46Å; K1198-A1202 VanDerWaalsContact O-N 3.08Å
1203R44.3Very low38.4Very low139 Ų139115.2 Ų115.253%0.52559%0.586SS.*Hα-helixtrans-96-33.8169.9-67.8179.8179.7113.34111.8K1199 A1200 E1201 R1206 A1207K1199-R1203 WeakPolarHBondContact O-CD 3.42Å; K1199-R1203 WeakPolarHBondContact O-CG 3.32Å; K1199-R1203 VanDerWaalsContact O-CZ 3.32Å; K1199-R1203 PolarHBondContact O-NH1 2.88Å; A1200-R1203 CarbonylContact O-C 3.59Å; A1200-R1203 WeakPolarHBondContact O-CA 3.21Å; A1200-R1203 WeakPolarHBondContact O-CB 3.45Å; A1200-R1203 PolarHBondContact O-N 3.31Å; E1201-R1203 PolarHBondContact O-N 3.38Å; E1201-R1203 VanDerWaalsContact O-N 3.11Å; R1203-R1206 PolarHBondContact O-N 3.17Å; R1203-A1207 WeakPolarHBondContact O-CB 2.94Å; R1203-A1207 PolarHBondContact O-N 2.61Å
1204A39.7Very low38Very low58 Ų58114.9 Ų114.948%0.47959%0.592SS.*Hα-helixtrans-62.8-48.917200000111.2A1200 E1201 R1206 A1207 E1208A1200-A1204 PolarHBondContact O-N 2.81Å; E1201-A1204 PolarHBondContact O-N 2.91Å; E1201-A1204 VanDerWaalsContact O-N 3.1Å; A1204-R1206 VanDerWaalsContact C-N 3.25Å; A1204-R1206 PolarHBondContact O-N 2.92Å; A1204-A1207 CarbonylContact O-C 3.57Å; A1204-A1207 PolarHBondContact O-N 3.24Å; A1204-E1208 PolarHBondContact O-N 2.12Å
1205A39.9Very low37.6Very low56 Ų56116 Ų11646%0.46361%0.606SS.*Hα-helixtrans-58.9-32.6178.400000113.5E1201E1201-A1205 PolarHBondContact O-N 2.8Å
1206R42.8Very low36.6Very low166 Ų166113.3 Ų113.363%0.62662%0.616SS**Hα-helixtrans-75-39.9172.5-72.8-173.5175-174.80.2112.5R1203 A1204 E1208 I1209 E1210R1203-R1206 PolarHBondContact O-N 3.17Å; A1204-R1206 VanDerWaalsContact C-N 3.25Å; A1204-R1206 PolarHBondContact O-N 2.92Å; R1206-E1208 PolarHBondContact O-N 3.06Å; R1206-I1209 PolarHBondContact O-N 3.11Å; R1206-E1210 PolarHBondContact O-N 3.36Å; R1206-E1210 VanDerWaalsContact O-N 3.14Å
1207A38.6Very low35.8Very low48 Ų48118.6 Ų118.640%0.39763%0.63SS.*Hα-helixtrans-69.3-15.1177.500000114.3R1203 A1204 K1211R1203-A1207 WeakPolarHBondContact O-CB 2.94Å; R1203-A1207 PolarHBondContact O-N 2.61Å; A1204-A1207 CarbonylContact O-C 3.57Å; A1204-A1207 PolarHBondContact O-N 3.24Å; A1207-K1211 WeakPolarHBondContact O-CD 3.23Å; A1207-K1211 VanDerWaalsContact O-CG 3.28Å; A1207-K1211 WeakPolarHBondContact O-CG 3.12Å
1208E33.2Very low35.3Very low125 Ų125123.4 Ų123.458%0.58464%0.636SS**Hα-helixtrans-89.5-29.7176-162.1148.4-132.200112.4A1204 R1206A1204-E1208 PolarHBondContact O-N 2.12Å; R1206-E1208 PolarHBondContact O-N 3.06Å
1209I36.6Very low34.4Very low139 Ų139123.8 Ų123.871%0.71365%0.653SS**Hα-helixtrans-77.4-37.5173.3-64.6173.7000111.4R1206 K1211R1206-I1209 PolarHBondContact O-N 3.11Å; I1209-K1211 PolarHBondContact O-N 2.64Å
1210E32.1Very low33Very low138 Ų138127.7 Ų127.765%0.64566%0.664SS**THydrogen-bonded Turntrans-70.9-2.6173.6-72.7-169.8127.300114R1206R1206-E1210 PolarHBondContact O-N 3.36Å; R1206-E1210 VanDerWaalsContact O-N 3.14Å
1211K30.4Very low32.2Very low164 Ų164134.5 Ų134.571%0.71368%0.678SS**THydrogen-bonded Turntrans-95.9-6.2-178-92.8-178.8179.4-178.80116.3A1207 I1209A1207-K1211 WeakPolarHBondContact O-CD 3.23Å; A1207-K1211 VanDerWaalsContact O-CG 3.28Å; A1207-K1211 WeakPolarHBondContact O-CG 3.12Å; I1209-K1211 PolarHBondContact O-N 2.64Å
1212K26.3Very low31.6Very low186 Ų186136.4 Ų136.481%0.80968%0.684SS**SBendtrans-100.815.5-179.2-71.9-163.6171.7-171.50115.4
1213C26Very low30.4Very low117 Ų117139.8 Ų139.879%0.79169%0.693SS**SBendtrans-135.256176.8-61.50000113.6
1214S26.1Very low29.5Very low98 Ų98139.5 Ų139.569%0.68570%0.702SS**  trans-156.956.5167.672.80000115.3
1215V24.4Very low28.8Very low154 Ų154143.1 Ų143.193%0.93371%0.712SS**  trans-102.470.3162.2-175.10000108.9
1216A26.8Very low28Very low93 Ų93147 Ų14777%0.76973%0.73SS**  trans-167.794.417000000108.9
1217R25.2Very low27.4Very low253 Ų253142 Ų14296%0.95573%0.73SS**  trans-156.365.4176.2-129.9178.7-170.3-174.83.1114.8
1218R25.8Very low26.9Very low154 Ų154147.5 Ų147.558%0.58175%0.753SS**  trans-146.1141.1162.5-88.4169.6162.6-158-17.5106.1S2298 F2299R1218-S2298 PolarHBondContact NH1-OG 2.88Å; R1218-F2299 VanDerWaalsContact NH2-CZ 3.3Å
1219S26.2Very low26.6Very low122 Ų122148.1 Ų148.185%0.85376%0.761SS**  cis-123.2-162.110.5-69.90000112.9
1220R23.4Very low26.2Very low218 Ų218146.7 Ų146.782%0.82376%0.762SS**  trans-158.8139.1-166.1-151.4-176.6-166.8-168.73.9111.6
1221R22.3Very low26Very low201 Ų201144.6 Ų144.676%0.75876%0.762SS**  trans71.9159.7179.7-45.8163.4173.7160.8-8.4113.1
1222F26.1Very low25.8Very low173 Ų173147.4 Ų147.476%0.75977%0.768SS**  cis-121.31671.6-74.8-95.9000109.3
1223L22.7Very low25.9Very low134 Ų134144.3 Ų144.370%0.70276%0.76SS**  cis86111.838.3-112.9176.3000114.9
1224N24.2Very low26Very low133 Ų133145.1 Ų145.171%0.71176%0.756SS**  trans68.3160.8164.9-66.1-2.2000119.2
1225I26.2Very low26.1Very low134 Ų134148.8 Ų148.869%0.68776%0.762SS**  cis-168.2132.5-31.8-103.8163.2000108.9
1226T23.3Very low26.2Very low136 Ų136148.8 Ų148.883%0.83476%0.757SS**  trans32.9139.4158.164.80000126.4
1227G29.2Very low26.2Very low62 Ų62148.5 Ų148.564%0.63975%0.749SS**  trans101.8116.1155.400000115.7
1228D28.1Very low26.3Very low163 Ų163143.2 Ų143.287%0.87275%0.745SS**  cis80.6136.649.7-53.1-32.3000112.7
1229D27.4Very low26.4Very low139 Ų139141.5 Ų141.574%0.74376%0.757SS**  cis-162.816218.5-156.3-4.5000115.2
1230C27.7Very low26.3Very low108 Ų108147.2 Ų147.273%0.7376%0.76SS**  trans42.5157.9153.7-82.30000125.7
1231S27.4Very low26.5Very low95 Ų95143.8 Ų143.866%0.66476%0.758SS**  cis-175.5179.8-9.658.40000113.5
1232R27.2Very low26.7Very low222 Ų222139.5 Ų139.584%0.83875%0.754SS**  trans85.2149.8166-72.5-173.6142.8110.4-2.1119.2
1233I29.2Very low26.7Very low122 Ų122136.1 Ų136.163%0.62675%0.751SS**  cis-153.9148.28.4-123.8164.9000113.2
1234D26.5Very low26.8Very low134 Ų134137.4 Ų137.472%0.71776%0.757SS**  trans36.7165.5151.4-38.1-25.5000123.2
1235E28.7Very low27.1Very low175 Ų175136 Ų13682%0.81876%0.755SS**  cis-144.615511.4-63.3179.4144.800113.8
1236D27.5Very low27.1Very low153 Ų153138.4 Ų138.482%0.81876%0.763SS**  trans46.9154.9137.7-77.117.4000126
1237S27Very low27.2Very low87 Ų87137 Ų13761%0.60876%0.758SS**  cis-165.4154.1-3.845.90000115.4
1238T26.7Very low27Very low142 Ų142139 Ų13987%0.87176%0.763SS**  trans62156.8157.959.90000120.9
1239S27.5Very low26.9Very low118 Ų118137.3 Ų137.383%0.82575%0.754SS**  cis-137169.95.862.70000113.1
1240R24.8Very low26.9Very low243 Ų243138 Ų13892%0.91775%0.752SS**  trans-163.3141.2-172.8-163.4-177.7-164.2167.85.1112.9
1241D26.7Very low26.6Very low146 Ų146137.2 Ų137.278%0.78175%0.748SS**  trans-158.6149.5-178.8-102.3-46.4000109.8
1242T26.6Very low26.4Very low111 Ų111141.3 Ų141.368%0.68176%0.757SS**  cis-158.3164.7-23.5-7.60000111.1
1243C26.4Very low26.1Very low101 Ų101135.4 Ų135.468%0.68275%0.749SS**  trans68.399.2149.9-66.70000124.5
1244I25.1Very low25.8Very low161 Ų161135.6 Ų135.683%0.82676%0.756SS**  82.6145.7110.4-74.8164.5000121.6
1245P30.9Very low25.6Very low103 Ų103137.9 Ų137.967%0.66976%0.763SS**  trans-135.9-173.5-152.242.4-22.4000116.6
1246E25.6Very low25.4Very low186 Ų186133.6 Ų133.687%0.86976%0.758SS**  -174.7178119.8-101.9179.9-168.600114.8
1247S25Very low25.3Very low105 Ų105133.4 Ų133.473%0.73476%0.755SS**  trans-61.8158.3-168.8390000116.6
1248S25.8Very low25.3Very low105 Ų105135.3 Ų135.373%0.73476%0.763SS**  cis-167.8-160.2-4.448.90000108.6
1249N25Very low25.1Very low127 Ų127134.1 Ų134.168%0.67976%0.76SS**  cis-163.917910.3-148.4-11.3000114
1250H26.6Very low25.1Very low153 Ų153132.3 Ų132.371%0.70876%0.761SS**  trans45.979155.6-83.2-59.9000123.1
1251S22.8Very low25.1Very low92 Ų92129.5 Ų129.564%0.64376%0.758SS**  46.610911763.50000122.4
1252Q22.2Very low25.2Very low181 Ų181129.5 Ų129.585%0.84676%0.756SS**  178.2150.1103.4-94.7-172.814.300113.7
1253S21.1Very low25Very low98 Ų98131.2 Ų131.269%0.68576%0.761SS**  trans58.3145.615948.60000122.9
1254T23.3Very low25Very low126 Ų126133 Ų13377%0.77377%0.769SS**  trans64148.7164.645.30000117.8
1255E22.2Very low25.2Very low183 Ų183130.8 Ų130.886%0.85577%0.768SS**  cis-144.3-159.13.4-140.3170.7-13400114
1256A25.2Very low25.3Very low85 Ų85130.5 Ų130.570%0.70277%0.768SS**  trans-69.9172.8-163.900000116.4
1257I25.7Very low25.4Very low149 Ų149132.8 Ų132.876%0.76477%0.769SS**  -172.2134.988.9-101.1171.2000113.9
1258T25.4Very low25.5Very low127 Ų127136.4 Ų136.478%0.77977%0.766SS**  trans58.2154.7157.856.40000121.7
1259S23.6Very low25.6Very low116 Ų116136.7 Ų136.781%0.81176%0.756SS**  cis-167.8148.8-17.549.50000110.9
1260G26.9Very low25.9Very low81 Ų81140.8 Ų140.884%0.83576%0.762SS**  trans-173.988.7174.700000114.9
1261H25.3Very low25.8Very low184 Ų184138.8 Ų138.885%0.85276%0.756SS**  trans-66.2167.5175.8-97.7-41000113.4
1262I28.3Very low26.1Very low146 Ų146139.6 Ų139.675%0.74975%0.748SS**  cis-150.5156.725.4-128142.6000112
1263D23.1Very low26.3Very low147 Ų147138.6 Ų138.679%0.78674%0.737SS**  trans-98.3146174.3-113.5-50.8000112.6
1264T26.5Very low26.6Very low138 Ų138143 Ų14385%0.84774%0.738SS**  trans-142.985.5162.446.50000112.9
1265S28.6Very low26.6Very low115 Ų115144 Ų14480%0.80474%0.738SS**  trans-85.7145176.158.50000113.2
1266S33.2Very low26.8Very low97 Ų97141 Ų14168%0.67873%0.726SS**  trans-84.7149.6-162.182.20000115.6R1268S1266-R1268 PolarHBondContact O-N 3.1Å
1267R27.8Very low26.8Very low233 Ų233146.3 Ų146.388%0.87973%0.728SS**THydrogen-bonded Turntrans-63.9-1-168.3-161167179.1154.2-1.6116.3
1268R27.5Very low26.8Very low181 Ų181143 Ų14368%0.68372%0.718SS**THydrogen-bonded Turntrans-80.6-22.9-172.4-139.2177.2-168.9-159.41.1114.4S1266S1266-R1268 PolarHBondContact O-N 3.1Å
1269E27.5Very low26.8Very low112 Ų112143.8 Ų143.852%0.52372%0.717SS.*G310 helixtrans-72.8-32.1-179.7-68.7-156.1162.600114.5L1271 K1272 R1273E1269-L1271 PolarHBondContact O-N 3.36Å; E1269-K1272 PolarHBondContact O-N 3.37Å; E1269-R1273 PolarHBondContact O-N 3.03Å; E1269-R1273 VanDerWaalsContact O-N 3.07Å; E1269-R1273 IonicContact OE2-CZ 3.23Å; E1269-R1273 VanDerWaalsContact OE2-CZ 3.29Å; E1269-R1273 IonicContact OE2-NE 3.92Å; E1269-R1273 PolarHBondContact OE2-NE 2.87Å; E1269-R1273 VanDerWaalsContact OE2-NE 3.1Å; E1269-R1273 IonicContact OE2-NH2 3.67Å; E1269-R1273 PolarHBondContact OE2-NH2 3.44Å
1270R30.2Very low26.8Very low213 Ų213143.3 Ų143.380%0.80471%0.705SS**G310 helixtrans-62.5-8.5-172.5-95.1178.6163.9131.1-9.2114.7
1271L25.4Very low26.7Very low111 Ų111148.7 Ų148.758%0.58170%0.702SS**G310 helixtrans-104.2-21.2172-94.2164.6000114.8E1269E1269-L1271 PolarHBondContact O-N 3.36Å
1272K28.1Very low26.7Very low109 Ų109144.5 Ų144.547%0.47470%0.699SS.*G310 helixtrans-74-39.4165.9-79.9-170.6170.2-172.70110.7E376 E1269 R1274 L1275E376-K1272 VanDerWaalsContact CD-NZ 3.33Å; E376-K1272 WeakPolarHBondContact OE2-CE 3.45Å; E376-K1272 IonicContact OE2-NZ 3.56Å; E376-K1272 PolarHBondContact OE2-NZ 2.82Å; E1269-K1272 PolarHBondContact O-N 3.37Å; K1272-R1274 PolarHBondContact O-N 3.04Å; K1272-L1275 PolarHBondContact O-N 3.48Å
1273R28.3Very low26.4Very low160 Ų160143.4 Ų143.460%0.60470%0.699SS**G310 helixtrans-65.213.3172.5-59.9-176.2-173.4-146.85.6115E1269E1269-R1273 PolarHBondContact O-N 3.03Å; E1269-R1273 VanDerWaalsContact O-N 3.07Å; E1269-R1273 IonicContact OE2-CZ 3.23Å; E1269-R1273 VanDerWaalsContact OE2-CZ 3.29Å; E1269-R1273 IonicContact OE2-NE 3.92Å; E1269-R1273 PolarHBondContact OE2-NE 2.87Å; E1269-R1273 VanDerWaalsContact OE2-NE 3.1Å; E1269-R1273 IonicContact OE2-NH2 3.67Å; E1269-R1273 PolarHBondContact OE2-NH2 3.44Å
1274R27.3Very low26.3Very low191 Ų191144 Ų14472%0.72170%0.699SS**G310 helixtrans-1319-179.9-141.7173.3-173.3172.11.8114.5K1272K1272-R1274 PolarHBondContact O-N 3.04Å
1275L23.5Very low26.1Very low147 Ų147142 Ų14277%0.7769%0.687SS**SBendtrans-132.110.1167.9-104.9166.9000112.7K1272K1272-L1275 PolarHBondContact O-N 3.48Å
1276I26.5Very low25.9Very low118 Ų118138.4 Ų138.461%0.60566%0.661SS**SBendtrans-12557.7168.9-50176.9000106.1D1280I1276-D1280 WeakPolarHBondContact CG2-OD2 3.5Å
1277R25.2Very low25.3Very low197 Ų197135.5 Ų135.574%0.74364%0.641SS**  trans-157.235.4-178.3-79.5-158.8166.6-179.9-7.5111.4
1278S24.7Very low25Very low79 Ų79125.8 Ų125.855%0.55260%0.604SS**SBendtrans-131.1-5.3177.555.30000114.3
1279L25.8Very low24.7Very low144 Ų144117.2 Ų117.275%0.75457%0.572SS**SBendtrans-114-41.2161-93.774.8000111Y1281 A1282L1279-Y1281 PolarHBondContact O-N 3.28Å; L1279-A1282 PolarHBondContact O-N 3.19Å
1280D22.9Very low24.5Very low106 Ų106112 Ų11257%0.56755%0.548SS*.THydrogen-bonded Turntrans-6621.5-179-54.6-60.5000116.2I1276I1276-D1280 WeakPolarHBondContact CG2-OD2 3.5Å
1281Y25.5Very low24.1Very low194 Ų194103.1 Ų103.176%0.76152%0.516SS*.THydrogen-bonded Turntrans-117-14.8177-158.1-108.7000113.4L1279 V1283L1279-Y1281 PolarHBondContact O-N 3.28Å; Y1281-V1283 VanDerWaalsContact C-N 3.34Å
1282A23.9Very low24Very low97 Ų9797.9 Ų97.980%0.80249%0.489SS*.SBendtrans-86.50.4179.100000114.3L1279L1279-A1282 PolarHBondContact O-N 3.19Å
1283V23.9Very low23.6Very low122 Ų12293.8 Ų93.874%0.73947%0.47SS*.SBendtrans-120.5-4.3-165.8-1730000113.2Y1281Y1281-V1283 VanDerWaalsContact C-N 3.34Å
1284M20.5Very low23.2Very low161 Ų16186.6 Ų86.679%0.79344%0.444SS*.SBendtrans-112.22.1-170.1-70.7-136.573.500116.8
1285T22.5Very low23.2Very low95 Ų9578.1 Ų78.158%0.58341%0.413SS*.SBendtrans-129.862.1179.954.30000112.7
1286C24.3Very low23.2Very low40 Ų4074.5 Ų74.527%0.2739%0.394SS..  trans-170.1117.6155.2-93.10000111.2N1566 I1567C1286-N1566 VanDerWaalsContact CA-CB 3.47Å; C1286-N1566 HydrophobicContact CB-CB 3.68Å; C1286-N1566 PolarHBondContact O-N 2.88Å; C1286-N1566 PolarHBondContact SG-O 3.48Å; C1286-I1567 HydrophobicContact CB-CG1 4.23Å
1287S20.9Very low23Very low36 Ų3673.5 Ų73.525%0.25239%0.39SS..  trans-138.912.317858.20000124.8R1541 N1566S1287-R1541 PolarHBondContact OG-NH1 3.19Å; S1287-R1541 PolarHBondContact OG-NH2 3Å; S1287-N1566 VanDerWaalsContact C-N 3.3Å; S1287-N1566 WeakPolarHBondContact CA-OD1 3.22Å; S1287-N1566 PolarHBondContact N-ND2 3.32Å; S1287-N1566 PolarHBondContact N-OD1 2.87Å
1288R21.6Very low23Very low28 Ų2869.6 Ų69.611%0.10639%0.392CS..  trans-152.6128.2161.6-156.8178.7-167.4164.510.6116.5L1401 I1534 Y1540 S1565 N1566R1288-L1401 HydrophobicContact CG-CD1 4.38Å; R1288-I1534 HydrophobicContact CB-CB 4.4Å; R1288-I1534 HydrophobicContact CB-CD1 3.92Å; R1288-I1534 HydrophobicContact CB-CG2 4.48Å; R1288-I1534 HydrophobicContact CG-CD1 3.98Å; R1288-I1534 WeakPolarHBondContact O-CB 3.11Å; R1288-I1534 WeakPolarHBondContact O-CD1 3.09Å; R1288-I1534 WeakPolarHBondContact O-CG1 3.14Å; R1288-Y1540 PolarHBondContact NH1-O 3.32Å; R1288-S1565 CarbonylContact C-O 3.54Å; R1288-S1565 WeakPolarHBondContact CA-O 3.43Å; R1288-S1565 PolarHBondContact N-O 2.87Å; R1288-S1565 VanDerWaalsContact N-O 3.1Å; R1288-N1566 PolarHBondContact N-OD1 3Å; R1288-N1566 VanDerWaalsContact O-CA 3.29Å; R1288-N1566 WeakPolarHBondContact O-CA 3.49Å
1289L21.3Very low22.9Very low2 Ų275.3 Ų75.31%0.0140%0.403CS..  trans35.2-155.1140.8-33.7167.1000126.1W1394 L1397 L1401 I1534 Y1563 S1565 I1568L1289-W1394 HydrophobicContact CB-CZ3 4.17Å; L1289-W1394 HydrophobicContact CD1-CE3 4.34Å; L1289-W1394 HydrophobicContact CD1-CZ3 3.82Å; L1289-W1394 HydrophobicContact CD2-CH2 3.66Å; L1289-W1394 HydrophobicContact CD2-CZ3 3.37Å; L1289-W1394 HydrophobicContact CG-CZ3 3.92Å; L1289-L1397 HydrophobicContact CD1-CD2 3.57Å; L1289-L1397 HydrophobicContact CD1-CG 4.35Å; L1289-L1401 HydrophobicContact CB-CD1 4.22Å; L1289-L1401 HydrophobicContact CD1-CD1 4.35Å; L1289-I1534 HydrophobicContact CB-CD1 4.38Å; L1289-Y1563 VanDerWaalsContact CD1-CB 3.45Å; L1289-Y1563 HydrophobicContact CD1-CD1 3.71Å; L1289-Y1563 HydrophobicContact CD1-CD2 3.56Å; L1289-Y1563 HydrophobicContact CD1-CE1 4.24Å; L1289-Y1563 HydrophobicContact CD1-CE2 4.12Å; L1289-Y1563 HydrophobicContact CD1-CG 3.32Å; L1289-Y1563 HydrophobicContact CD2-CD1 3.86Å; L1289-Y1563 HydrophobicContact CD2-CG 3.97Å; L1289-Y1563 HydrophobicContact CG-CD1 4.33Å; L1289-Y1563 HydrophobicContact CG-CG 4.08Å; L1289-S1565 PolarHBondContact N-O 3.41Å; L1289-I1568 HydrophobicContact CB-CG1 4.24Å; L1289-I1568 HydrophobicContact CD2-CG1 4.28Å
1290P22.8Very low22.9Very low2 Ų276.1 Ų76.11%0.01341%0.407CS..  -117.6173.6-87.619.82.3000123.6Y1354 W1394 L1397 L1401 I1568P1290-Y1354 HydrophobicContact CB-CD1 4.45Å; P1290-Y1354 HydrophobicContact CB-CE1 3.87Å; P1290-Y1354 HydrophobicContact CG-CD1 4Å; P1290-Y1354 HydrophobicContact CG-CE1 3.24Å; P1290-Y1354 WeakPolarHBondContact CG-OH 3.18Å; P1290-Y1354 WeakPolarHBondContact O-CD1 3.4Å; P1290-Y1354 VanDerWaalsContact O-CG 3.26Å; P1290-W1394 HydrophobicContact CB-CZ3 4.4Å; P1290-L1397 HydrophobicContact CB-CD1 4.33Å; P1290-L1397 HydrophobicContact CG-CD1 3.7Å; P1290-L1397 HydrophobicContact CG-CD2 3.97Å; P1290-L1401 HydrophobicContact CG-CD1 3.91Å; P1290-I1568 VanDerWaalsContact CA-CG2 3.5Å; P1290-I1568 HydrophobicContact CB-CB 4.49Å; P1290-I1568 HydrophobicContact CB-CG1 4.27Å; P1290-I1568 HydrophobicContact CB-CG2 4.21Å
1291L21.4Very low23Very low26 Ų2676.3 Ų76.314%0.13642%0.417CS..  trans-71.4165.7161.7-2780.8000111.8Y1354 I1568 H1569 V1570L1291-Y1354 VanDerWaalsContact O-CD2 3.29Å; L1291-Y1354 WeakPolarHBondContact O-CD2 3.42Å; L1291-Y1354 WeakPolarHBondContact O-CE2 3.22Å; L1291-Y1354 PolarHBondContact O-OH 2.68Å; L1291-Y1354 VanDerWaalsContact O-OH 3.13Å; L1291-I1568 HydrophobicContact CB-CG2 4.03Å; L1291-I1568 HydrophobicContact CD1-CG2 3.2Å; L1291-I1568 HydrophobicContact CG-CG2 3.32Å; L1291-H1569 WeakPolarHBondContact CD2-O 3.26Å; L1291-H1569 WeakPolarHBondContact CG-O 3.27Å; L1291-V1570 HydrophobicContact CB-CB 4.03Å; L1291-V1570 HydrophobicContact CB-CG1 3.83Å; L1291-V1570 HydrophobicContact CB-CG2 3.96Å; L1291-V1570 HydrophobicContact CG-CB 4.36Å; L1291-V1570 HydrophobicContact CG-CG2 4.36Å
1292T22.3Very low23.1Very low2 Ų272.3 Ų72.31%0.01241%0.414CS..  121.7137.6123.4570000121.7Y1354 H1359 F1581T1292-Y1354 VanDerWaalsContact N-CD2 3.32Å; T1292-Y1354 VanDerWaalsContact O-CE2 3.31Å; T1292-Y1354 WeakPolarHBondContact O-CE2 3.48Å; T1292-H1359 VanDerWaalsContact C-CA 3.48Å; T1292-H1359 WeakPolarHBondContact CB-CD2 3.37Å; T1292-H1359 HydrophobicContact CG2-CB 4.45Å; T1292-H1359 WeakPolarHBondContact CG2-CD2 3.3Å; T1292-H1359 WeakPolarHBondContact O-CA 3.06Å; T1292-H1359 PolarHBondContact O-N 3.02Å; T1292-H1359 VanDerWaalsContact O-N 3.16Å; T1292-H1359 WeakPolarHBondContact OG1-CB 3.24Å; T1292-H1359 PolarHBondContact OG1-CD2 2.89Å; T1292-H1359 PolarHBondContact OG1-ND1 3.14Å; T1292-F1581 VanDerWaalsContact CA-CE2 3.48Å; T1292-F1581 VanDerWaalsContact N-CD2 3.31Å; T1292-F1581 WeakPolarHBondContact O-CB 3.02Å; T1292-F1581 VanDerWaalsContact O-CD2 3.3Å; T1292-F1581 WeakPolarHBondContact O-CD2 3.34Å; T1292-F1581 WeakPolarHBondContact O-CG 3.2Å
1293R21.4Very low23.2Very low23 Ų2376.2 Ų76.29%0.08742%0.416CS..  cis-166.20-14.1-102.6-178.5-159.5145.1-13.4108.8G1358 H1359 Y1362 L1363 T1571 F1581R1293-G1358 CarbonylContact C-O 3.58Å; R1293-G1358 CarbonylContact O-C 3.56Å; R1293-H1359 PolarHBondContact NH1-NE2 3.17Å; R1293-Y1362 VanDerWaalsContact C-CG 3.42Å; R1293-Y1362 HydrophobicContact CB-CD2 3.03Å; R1293-Y1362 HydrophobicContact CB-CG 3.4Å; R1293-Y1362 VanDerWaalsContact CB-CG 3.4Å; R1293-Y1362 HydrophobicContact CG-CD2 3.36Å; R1293-Y1362 HydrophobicContact CG-CE2 4.46Å; R1293-Y1362 HydrophobicContact CG-CG 4.07Å; R1293-L1363 VanDerWaalsContact NH1-CD1 3.26Å; R1293-T1571 PolarHBondContact NE-O 2.98Å; R1293-T1571 PolarHBondContact NH2-OG1 2.87Å; R1293-F1581 VanDerWaalsContact C-CE1 3.47Å; R1293-F1581 VanDerWaalsContact CA-CG 3.45Å; R1293-F1581 HydrophobicContact CB-CZ 4.47Å; R1293-F1581 HydrophobicContact CG-CZ 4.42Å; R1293-F1581 VanDerWaalsContact N-CB 3.26Å; R1293-F1581 WeakPolarHBondContact O-CB 3.48Å; R1293-F1581 WeakPolarHBondContact O-CD1 3.31Å; R1293-F1581 WeakPolarHBondContact O-CG 3.48Å
1294I19.8Very low23.2Very low8 Ų875.3 Ų75.34%0.04141%0.414CS..  000-7.2-173000112.4Y1362 L1363 H1573 I1578I1294-Y1362 VanDerWaalsContact CA-CB 3.43Å; I1294-Y1362 VanDerWaalsContact CA-CD1 3.47Å; I1294-Y1362 HydrophobicContact CB-CD1 2.33Å; I1294-Y1362 HydrophobicContact CB-CD2 2.28Å; I1294-Y1362 HydrophobicContact CB-CE1 2.33Å; I1294-Y1362 HydrophobicContact CB-CE2 2.31Å; I1294-Y1362 HydrophobicContact CB-CG 2.3Å; I1294-Y1362 WeakPolarHBondContact CB-OH 3.22Å; I1294-Y1362 HydrophobicContact CD1-CD1 3.33Å; I1294-Y1362 HydrophobicContact CD1-CD2 3.78Å; I1294-Y1362 HydrophobicContact CD1-CE1 2.76Å; I1294-Y1362 HydrophobicContact CD1-CE2 3.28Å; I1294-Y1362 HydrophobicContact CD1-CG 3.84Å; I1294-Y1362 WeakPolarHBondContact CD1-OH 3.23Å; I1294-Y1362 HydrophobicContact CG1-CD1 2.3Å; I1294-Y1362 HydrophobicContact CG1-CD2 2.28Å; I1294-Y1362 HydrophobicContact CG1-CE1 2.31Å; I1294-Y1362 HydrophobicContact CG1-CE2 2.3Å; I1294-Y1362 HydrophobicContact CG1-CG 2.32Å; I1294-Y1362 WeakPolarHBondContact CG1-OH 2.99Å; I1294-Y1362 HydrophobicContact CG2-CD1 3.72Å; I1294-Y1362 HydrophobicContact CG2-CD2 3.46Å; I1294-Y1362 VanDerWaalsContact CG2-CD2 3.46Å; I1294-Y1362 HydrophobicContact CG2-CE1 3.08Å; I1294-Y1362 HydrophobicContact CG2-CE2 2.78Å; I1294-Y1362 HydrophobicContact CG2-CG 3.9Å; I1294-Y1362 WeakPolarHBondContact CG2-OH 3.32Å; I1294-Y1362 VanDerWaalsContact N-CA 3.32Å; I1294-L1363 HydrophobicContact CD1-CD2 3.39Å; I1294-L1363 HydrophobicContact CD1-CG 4.1Å; I1294-L1363 HydrophobicContact CG1-CD2 3.61Å; I1294-L1363 HydrophobicContact CG1-CG 3.79Å; I1294-H1573 WeakPolarHBondContact CD1-CD2 3.45Å; I1294-I1578 HydrophobicContact CB-CG2 4.43Å; I1294-I1578 HydrophobicContact CG2-CB 3.63Å; I1294-I1578 HydrophobicContact CG2-CD1 3.63Å; I1294-I1578 HydrophobicContact CG2-CG1 3.29Å; I1294-I1578 HydrophobicContact CG2-CG2 3.58Å
1295P26.5Very low23.3Very low13 Ų1376.6 Ų76.68%0.08442%0.418CS..  0-174.9042.8-21.8000124.9Y1362 K1365 A1366P1295-Y1362 HydrophobicContact CB-CE1 4.36Å; P1295-Y1362 WeakPolarHBondContact CD-O 3.46Å; P1295-Y1362 HydrophobicContact CG-CD1 3.76Å; P1295-Y1362 HydrophobicContact CG-CE1 3.72Å; P1295-K1365 HydrophobicContact CG-CB 4.36Å; P1295-K1365 WeakPolarHBondContact O-CD 3.38Å; P1295-A1366 HydrophobicContact CG-CB 3.89Å
1296L23Very low23.3Very low71 Ų7174.8 Ų74.837%0.37242%0.418SS..  trans76.2139.8133.9-88.9159.6000125.6N1371L1296-N1371 HydrophobicContact CD1-CB 3.98Å; L1296-N1371 WeakPolarHBondContact CD1-ND2 3.32Å
1297D23.2Very low23.2Very low97 Ų9781.2 Ų81.252%0.51944%0.444SS..  trans57.5139.8163-64.7-43.3000119.3
1298C24.9Very low23.3Very low115 Ų11588.8 Ų88.878%0.77748%0.475SS*.  cis-128.1148.318.6-62.80000111.9
1299Y23.2Very low23.6Very low199 Ų19995.6 Ų95.678%0.7851%0.508SS*.  57.99371.2-101.2-82.3000116.2
1300L24.8Very low23.9Very low162 Ų162103.8 Ų103.885%0.84855%0.546SS*.  173.4151.8106-92.1164.4000114.4
1301S26Very low23.9Very low110 Ų110111 Ų11177%0.76958%0.584SS**  trans-84.5164.4178.9-44.50000113
1302P27.8Very low24Very low109 Ų109114.8 Ų114.871%0.70861%0.605SS**  -145.8169.993.337.7-20.8000113.7
1303E24.3Very low24.1Very low179 Ų179122.1 Ų122.184%0.83664%0.636SS**  cis-160.6179.6-13.5-113.4165.3-160.200111.1
1304C23.7Very low24.2Very low103 Ų103126.6 Ų126.670%0.69666%0.662SS**  trans-38.1163.1155-51.90000114.6
1305E22.6Very low24.4Very low189 Ų189133.2 Ų133.288%0.88369%0.693SS**  cis-162.6177.2-2.4-119.3165.6165.100108.3
1306G23.7Very low24.2Very low56 Ų56140.2 Ų140.258%0.57772%0.722SS**  trans-101.5176.5178.900000115.4
1307H22.7Very low24.3Very low176 Ų176143.6 Ų143.682%0.81574%0.739SS**  trans76.9155.9175.5-52.4-74.6000115
1308E22.1Very low24.2Very low194 Ų194146.7 Ų146.791%0.90775%0.754SS**  cis-122170.818.3-61.3-177.4133.800115.1
1309E27.3Very low24.3Very low171 Ų171145.9 Ų145.980%0.79975%0.748SS**  trans-116.7-174.2-172.5-66-175.796.400113.6
1310E27.3Very low24.3Very low174 Ų174142.4 Ų142.481%0.81374%0.743SS**  trans79144.5161.1-58.4-156.9152.600120.3
1311L24.2Very low24.3Very low153 Ų153141.5 Ų141.580%0.80174%0.744SS**SBendtrans-141.184.1161.7-118.6173.8000111.4
1312N23.2Very low24.1Very low107 Ų107143.4 Ų143.457%0.57275%0.746SS**  trans82.6138168.9-47.6-73.6000117
1313K24.1Very low23.9Very low155 Ų155141.5 Ų141.567%0.67473%0.732SS**  cis-166.9128.6-7.1-120.1177.9-179.491.40111
1314N23.1Very low23.8Very low118 Ų118136.8 Ų136.863%0.63171%0.713SS**  143.2132.3120.7-75.3-32.8000114.1
1315H24.5Very low23.9Very low147 Ų147140.2 Ų140.268%0.68172%0.718SS**  trans70.3134.2150.7-61.3-21000118.2
1316F22.5Very low24Very low159 Ų159141.5 Ų141.570%0.69772%0.715SS**  cis-159.1122.22.1-117.4-53.2000112.5
1317I24.6Very low24Very low142 Ų142144.7 Ų144.773%0.72872%0.719SS**  trans58.4142141.1-78.1175.1000122.6
1318L22.4Very low24.1Very low162 Ų162139.6 Ų139.685%0.84871%0.713SS**  trans-135.6-174173-55.3174.8000108.1
1319P27Very low24.4Very low99 Ų99135.9 Ų135.964%0.64371%0.706SS**  cis-141.2-164.5145.6-26.1000115.2
1320N22Very low24.3Very low126 Ų126138.2 Ų138.267%0.67471%0.709SS**  trans50.5132.5148-59.1-12.5000123
1321T24.3Very low24.1Very low143 Ų143137.8 Ų137.888%0.87771%0.705SS**  178.5156.7108.527.90000113.7
1322D22.8Very low24.1Very low150 Ų150137.6 Ų137.680%0.80271%0.705SS**  trans-79.7172.9-170-59.3-91.2000117.4
1323V22.8Very low24.5Very low68 Ų68140.8 Ų140.841%0.41271%0.709SS.*  158.8119.8106.7171.90000114.9M1439V1323-M1439 VanDerWaalsContact CG1-CA 3.47Å
1324N23.4Very low24.6Very low81 Ų81140.5 Ų140.543%0.43371%0.714SS.*  trans67.2100.8154.6-69.6-7.4000122.4
1325H25.1Very low24.7Very low174 Ų174138.7 Ų138.781%0.80671%0.711SS**  65148.6115.7-84.7-45.4000124.3
1326W24.4Very low24.7Very low217 Ų217138.1 Ų138.182%0.82272%0.717SS**  trans78.9137.2163-85.244.1000117.7
1327D25Very low24.8Very low123 Ų123136.8 Ų136.866%0.65872%0.722SS**  cis-166.8140.9-12.5-128.132.3000109.7
1328G23.3Very low24.7Very low68 Ų68140.2 Ų140.270%0.70173%0.726SS**  trans156.6139.8174.400000113.5
1329P28.6Very low24.8Very low116 Ų116136.9 Ų136.975%0.75371%0.714SS**  trans-89.9139-169.634.4-34000113.1
1330Y25.1Very low24.7Very low221 Ų221135.2 Ų135.287%0.86771%0.705SS**  trans-137.5137.1150.5-101.9-79.8000111.2
1331F23.6Very low25.1Very low165 Ų165131.5 Ų131.572%0.72469%0.691SS**  trans-56.5136.6-179.9-60.4-104.3000114.1
1332D24.9Very low25.3Very low149 Ų149125.8 Ų125.880%0.79766%0.657SS**  trans-116.692.2154.7-89-51.3000109
1333W32.1Very low26.3Very low173 Ų173121.2 Ų121.266%0.65564%0.636SS**  trans-107.4152152.955.3-63.9000106.5
1334L25.3Very low27.6Very low149 Ų149118.8 Ų118.878%0.7862%0.619SS**SBendtrans72.451.8-176.2-61.8159.7000117.1
1335S24.8Very low29.1Very low81 Ų81116.8 Ų116.857%0.56661%0.609SS**SBendtrans-145-31.6169.760.80000119.1
1336T23.9Very low30.9Very low134 Ų134108.6 Ų108.682%0.82257%0.571SS**SBendtrans-123.530.4-168.260.10000117.4
1337V25.4Very low32.8Very low132 Ų13298.7 Ų98.780%0.853%0.534SS*.  trans-137.7122.9145.5178.10000106.9
1338R23.2Very low34.9Very low213 Ų21395.4 Ų95.480%0.80452%0.518SS*.  trans-77.6135.5164.6-72.9180175.4178.3-1.8107.8S1340R1338-S1340 PolarHBondContact O-N 3.34Å
1339P24.7Very low36.9Very low92 Ų9294.2 Ų94.260%0.59751%0.506SS*.  trans-71.786156.930.6-31000108.5
1340S25Very low38.8Very low65 Ų6589.3 Ų89.346%0.45547%0.474SS..  trans-59.2152159.533.10000109.5R1338 S1342R1338-S1340 PolarHBondContact O-N 3.34Å; S1340-S1342 PolarHBondContact O-N 3.18Å; S1340-S1342 VanDerWaalsContact O-N 3.1Å
1341A28.7Very low41.3Very low47 Ų4786 Ų8639%0.38846%0.46SS..  trans-80.2106.7-156.700000113.1P1343 D1609A1341-P1343 WeakPolarHBondContact O-CD 3.44Å; A1341-D1609 WeakPolarHBondContact CB-OD1 3.33Å
1342S29.7Very low43.8Very low23 Ų2378.2 Ų78.216%0.16143%0.425CS..  trans-59.3122.4159.266.90000109.5S1340 Y1344 L1345 D1576S1340-S1342 PolarHBondContact O-N 3.18Å; S1340-S1342 VanDerWaalsContact O-N 3.1Å; S1342-Y1344 PolarHBondContact O-N 3.4Å; S1342-Y1344 VanDerWaalsContact O-N 3.1Å; S1342-L1345 VanDerWaalsContact OG-CD1 3.31Å; S1342-L1345 WeakPolarHBondContact OG-CD1 3.47Å; S1342-D1576 WeakPolarHBondContact CB-OD1 3.43Å
1343P43Very low45.9Very low55 Ų5571.1 Ų71.136%0.35739%0.387SS..SBendtrans-67.6114.917526.7-32.5000109.5A1341A1341-P1343 WeakPolarHBondContact O-CD 3.44Å
1344Y49.7Very low47.8Very low16 Ų1662.9 Ų62.96%0.06336%0.356CS..  trans62.594.7174.6174.6-134.2000116.7S1342 P1346 D1350 V1352 L1579 I1582 L1584S1342-Y1344 PolarHBondContact O-N 3.4Å; S1342-Y1344 VanDerWaalsContact O-N 3.1Å; Y1344-P1346 VanDerWaalsContact CE2-CA 3.48Å; Y1344-P1346 HydrophobicContact CE2-CB 4.36Å; Y1344-D1350 VanDerWaalsContact CE2-OD2 3.25Å; Y1344-D1350 WeakPolarHBondContact CE2-OD2 3.04Å; Y1344-D1350 VanDerWaalsContact OH-CB 3.28Å; Y1344-D1350 WeakPolarHBondContact OH-CB 3.35Å; Y1344-D1350 PolarHBondContact OH-OD2 3.09Å; Y1344-D1350 VanDerWaalsContact OH-OD2 3.07Å; Y1344-V1352 HydrophobicContact CE1-CG1 4.13Å; Y1344-V1352 WeakPolarHBondContact OH-CG1 3.11Å; Y1344-L1579 WeakPolarHBondContact O-CD1 3.47Å; Y1344-I1582 WeakPolarHBondContact CD1-O 3.42Å; Y1344-I1582 HydrophobicContact CE1-CG2 4.17Å; Y1344-L1584 HydrophobicContact CD1-CD1 4.3Å; Y1344-L1584 HydrophobicContact CD1-CG 4.15Å; Y1344-L1584 HydrophobicContact CD2-CD1 4.41Å; Y1344-L1584 HydrophobicContact CE1-CD1 4.38Å; Y1344-L1584 HydrophobicContact CE1-CD2 3.84Å; Y1344-L1584 HydrophobicContact CE1-CG 3.83Å; Y1344-L1584 HydrophobicContact CE2-CD1 4.47Å; Y1344-L1584 HydrophobicContact CE2-CD2 3.99Å; Y1344-L1584 HydrophobicContact CE2-CG 4.47Å; Y1344-L1584 HydrophobicContact CG-CD1 4.31Å
1345L56.2Low49.9Very low39 Ų3956.8 Ų56.820%0.20432%0.324CS..  trans-73.4129.2154.4-107.485.3000110.3S1342S1342-L1345 VanDerWaalsContact OG-CD1 3.31Å; S1342-L1345 WeakPolarHBondContact OG-CD1 3.47Å
1346P62.2Low51.5Low3 Ų353.7 Ų53.72%0.01930%0.3CS..  trans-67.3146.4176.129.2-36000112Y1344 V1405 I1408 L1530 Y1572Y1344-P1346 VanDerWaalsContact CE2-CA 3.48Å; Y1344-P1346 HydrophobicContact CE2-CB 4.36Å; P1346-V1405 HydrophobicContact CB-CG2 4.33Å; P1346-I1408 WeakPolarHBondContact O-CD1 3.19Å; P1346-L1530 HydrophobicContact CB-CD1 3.99Å; P1346-L1530 HydrophobicContact CB-CD2 4.16Å; P1346-L1530 HydrophobicContact CG-CD1 3.68Å; P1346-L1530 HydrophobicContact CG-CD2 3.54Å; P1346-L1530 HydrophobicContact CG-CG 4.24Å; P1346-Y1572 WeakPolarHBondContact CD-OH 3.31Å; P1346-Y1572 WeakPolarHBondContact CG-OH 3.48Å
1347Q65.4Low53Low8 Ų855.5 Ų55.54%0.03729%0.292CS..  trans-125.1148.8178.5-50.8-158.7-28.100111.2G1349 D1350 V1405 Y1825 R1827 S1831Q1347-G1349 PolarHBondContact O-N 2.93Å; Q1347-G1349 VanDerWaalsContact O-N 3.12Å; Q1347-D1350 WeakPolarHBondContact CB-OD2 3.13Å; Q1347-D1350 PolarHBondContact N-OD2 3.01Å; Q1347-D1350 WeakPolarHBondContact O-CB 3.17Å; Q1347-D1350 PolarHBondContact O-N 2.95Å; Q1347-V1405 VanDerWaalsContact O-CB 3.32Å; Q1347-V1405 WeakPolarHBondContact O-CB 3.42Å; Q1347-Y1825 PolarHBondContact NE2-O 2.76Å; Q1347-R1827 VanDerWaalsContact OE1-N 3.08Å; Q1347-S1831 PolarHBondContact OE1-OG 3.36Å
1348T68.5Low54.7Low54 Ų5450.2 Ų50.233%0.33126%0.264SS..THydrogen-bonded Turntrans-56.1116.8172-41.80000109.5Q1406T1348-Q1406 VanDerWaalsContact CG2-O 3.27Å; T1348-Q1406 WeakPolarHBondContact CG2-O 3.23Å
1349G64.6Low56.6Low44 Ų4440.4 Ų40.445%0.45423%0.227SC..THydrogen-bonded Turntrans105-9.5-173.500000116.2Q1347 V1405Q1347-G1349 PolarHBondContact O-N 2.93Å; Q1347-G1349 VanDerWaalsContact O-N 3.12Å; G1349-V1405 PolarHBondContact N-O 3.48Å
1350D69.5Low58.1Low12 Ų1239.1 Ų39.16%0.06421%0.214CC..  trans-71.5150.5177.2-78.6-31.7000112.8Y1344 Q1347 S1404 V1405 L1584Y1344-D1350 VanDerWaalsContact CE2-OD2 3.25Å; Y1344-D1350 WeakPolarHBondContact CE2-OD2 3.04Å; Y1344-D1350 VanDerWaalsContact OH-CB 3.28Å; Y1344-D1350 WeakPolarHBondContact OH-CB 3.35Å; Y1344-D1350 PolarHBondContact OH-OD2 3.09Å; Y1344-D1350 VanDerWaalsContact OH-OD2 3.07Å; Q1347-D1350 WeakPolarHBondContact CB-OD2 3.13Å; Q1347-D1350 PolarHBondContact N-OD2 3.01Å; Q1347-D1350 WeakPolarHBondContact O-CB 3.17Å; Q1347-D1350 PolarHBondContact O-N 2.95Å; D1350-S1404 CarbonylContact O-C 3.54Å; D1350-S1404 WeakPolarHBondContact O-CA 3.49Å; D1350-V1405 HydrophobicContact CB-CG2 4.22Å; D1350-V1405 PolarHBondContact O-N 2.81Å; D1350-L1584 HydrophobicContact CB-CD2 4.47Å
1351R75.9Confident59.7Low153 Ų15340 Ų4058%0.57721%0.213SC*.EExtended strand (participates in β ladder)trans-108130.3171.2-63.3-170.4-176.9-152.44.2111.3C1403 E1535 L1584 R1585R1351-C1403 CarbonylContact C-O 3.59Å; R1351-C1403 WeakPolarHBondContact CA-O 2.93Å; R1351-E1535 WeakPolarHBondContact CD-OE1 3.34Å; R1351-E1535 IonicContact CZ-OE1 3.46Å; R1351-E1535 IonicContact NE-OE1 3.84Å; R1351-E1535 IonicContact NH1-OE1 3.85Å; R1351-E1535 PolarHBondContact NH1-OE1 3.27Å; R1351-L1584 WeakPolarHBondContact O-CD2 3.42Å; R1351-R1585 HydrophobicContact CB-CB 3.8Å; R1351-R1585 PolarHBondContact O-N 3.34Å
1352V76.6Confident61.3Low0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-128.1160-168.5-62.30000112.4Y1344 C1402 C1403 L1532 I1582 I1583 L1584Y1344-V1352 HydrophobicContact CE1-CG1 4.13Å; Y1344-V1352 WeakPolarHBondContact OH-CG1 3.11Å; V1352-C1402 CarbonylContact O-C 3.49Å; V1352-C1402 VanDerWaalsContact O-CA 3.32Å; V1352-C1402 WeakPolarHBondContact O-CA 3.42Å; V1352-C1403 HydrophobicContact CG2-CB 3.77Å; V1352-C1403 PolarHBondContact N-O 3.45Å; V1352-C1403 PolarHBondContact O-N 3.33Å; V1352-L1532 HydrophobicContact CG2-CD1 3.92Å; V1352-L1532 HydrophobicContact CG2-CD2 3.67Å; V1352-L1532 HydrophobicContact CG2-CG 4.48Å; V1352-I1582 HydrophobicContact CB-CG2 3.54Å; V1352-I1582 HydrophobicContact CG1-CG2 3.44Å; V1352-I1582 VanDerWaalsContact CG1-CG2 3.44Å; V1352-I1582 HydrophobicContact CG2-CG2 4.03Å; V1352-I1583 CarbonylContact C-O 3.53Å; V1352-I1583 WeakPolarHBondContact CA-O 3.33Å; V1352-I1583 VanDerWaalsContact CB-O 3.27Å; V1352-I1583 WeakPolarHBondContact CB-O 3.36Å; V1352-L1584 HydrophobicContact CG1-CD2 4.43Å
1353V70.1Confident62.6Low0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-114.5133.6155-173.20000106.7F1400 C1402 I1582 I1583 R1585 F1588V1353-F1400 HydrophobicContact CG1-CB 4.03Å; V1353-F1400 HydrophobicContact CG1-CD2 4.24Å; V1353-C1402 VanDerWaalsContact CG1-SG 3.59Å; V1353-C1402 HydrophobicContact CG2-CB 3.95Å; V1353-C1402 WeakPolarHBondContact CG2-SG 3.36Å; V1353-I1582 CarbonylContact O-C 3.56Å; V1353-I1583 HydrophobicContact CB-CB 4.45Å; V1353-I1583 PolarHBondContact N-O 2.92Å; V1353-I1583 PolarHBondContact O-N 2.92Å; V1353-R1585 HydrophobicContact CG2-CB 4.44Å; V1353-F1588 HydrophobicContact CB-CB 3.94Å; V1353-F1588 HydrophobicContact CB-CD1 4.34Å; V1353-F1588 HydrophobicContact CB-CD2 4.16Å; V1353-F1588 HydrophobicContact CB-CG 3.91Å; V1353-F1588 HydrophobicContact CG1-CB 4.48Å; V1353-F1588 HydrophobicContact CG1-CD1 4.11Å; V1353-F1588 HydrophobicContact CG1-CD2 3.84Å; V1353-F1588 HydrophobicContact CG1-CE1 4.26Å; V1353-F1588 HydrophobicContact CG1-CE2 4.03Å; V1353-F1588 HydrophobicContact CG1-CG 3.89Å; V1353-F1588 HydrophobicContact CG1-CZ 4.24Å; V1353-F1588 HydrophobicContact CG2-CB 3.31Å; V1353-F1588 HydrophobicContact CG2-CD1 3.63Å; V1353-F1588 HydrophobicContact CG2-CD2 4.23Å; V1353-F1588 HydrophobicContact CG2-CE1 4.48Å; V1353-F1588 HydrophobicContact CG2-CG 3.48Å; V1353-F1588 VanDerWaalsContact CG2-CG 3.48Å
1354Y72.4Confident62.9Low1 Ų135.9 Ų35.90%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-112.6148.9177.8128.7-79.1000109.9P1290 L1291 T1292 Y1356 F1400 L1401 F1581P1290-Y1354 HydrophobicContact CB-CD1 4.45Å; P1290-Y1354 HydrophobicContact CB-CE1 3.87Å; P1290-Y1354 HydrophobicContact CG-CD1 4Å; P1290-Y1354 HydrophobicContact CG-CE1 3.24Å; P1290-Y1354 WeakPolarHBondContact CG-OH 3.18Å; P1290-Y1354 WeakPolarHBondContact O-CD1 3.4Å; P1290-Y1354 VanDerWaalsContact O-CG 3.26Å; L1291-Y1354 VanDerWaalsContact O-CD2 3.29Å; L1291-Y1354 WeakPolarHBondContact O-CD2 3.42Å; L1291-Y1354 WeakPolarHBondContact O-CE2 3.22Å; L1291-Y1354 PolarHBondContact O-OH 2.68Å; L1291-Y1354 VanDerWaalsContact O-OH 3.13Å; T1292-Y1354 VanDerWaalsContact N-CD2 3.32Å; T1292-Y1354 VanDerWaalsContact O-CE2 3.31Å; T1292-Y1354 WeakPolarHBondContact O-CE2 3.48Å; Y1354-Y1356 VanDerWaalsContact CZ-CA 3.45Å; Y1354-Y1356 VanDerWaalsContact CZ-N 3.32Å; Y1354-Y1356 WeakPolarHBondContact OH-CA 3.39Å; Y1354-Y1356 WeakPolarHBondContact OH-CB 3.28Å; Y1354-Y1356 WeakPolarHBondContact OH-CD2 3.29Å; Y1354-Y1356 PolarHBondContact OH-N 2.92Å; Y1354-F1400 CarbonylContact O-C 3.6Å; Y1354-F1400 WeakPolarHBondContact O-CA 3.17Å; Y1354-L1401 HydrophobicContact CD1-CB 4.15Å; Y1354-L1401 HydrophobicContact CE1-CB 4.24Å; Y1354-L1401 PolarHBondContact N-O 2.75Å; Y1354-L1401 PolarHBondContact O-N 2.72Å; Y1354-F1581 WeakPolarHBondContact CA-O 3.23Å; Y1354-F1581 HydrophobicContact CD2-CD2 4.32Å
1355L68.6Low63.2Low20 Ų2039.9 Ų39.911%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-115.3114.6-176.4-54.7-176.2000112.9R1357 Q1399 F1400 F1581 I1583L1355-R1357 PolarHBondContact O-N 3.47Å; L1355-Q1399 CarbonylContact C-O 3.6Å; L1355-Q1399 WeakPolarHBondContact CA-O 2.98Å; L1355-F1400 HydrophobicContact CD2-CB 3.55Å; L1355-F1581 PolarHBondContact N-O 2.98Å; L1355-F1581 VanDerWaalsContact N-O 3.12Å; L1355-I1583 HydrophobicContact CD1-CD1 3.77Å; L1355-I1583 HydrophobicContact CD2-CD1 4.29Å; L1355-I1583 HydrophobicContact CG-CD1 4.12Å
1356Y57.8Low63.1Low17 Ų1738 Ų387%0.06719%0.19CC..Hα-helixtrans-65.8-18.6-178.8-178.8-107.9000114.4Y1354 H1359 Q1360 W1394 L1397 Q1399Y1354-Y1356 VanDerWaalsContact CZ-CA 3.45Å; Y1354-Y1356 VanDerWaalsContact CZ-N 3.32Å; Y1354-Y1356 WeakPolarHBondContact OH-CA 3.39Å; Y1354-Y1356 WeakPolarHBondContact OH-CB 3.28Å; Y1354-Y1356 WeakPolarHBondContact OH-CD2 3.29Å; Y1354-Y1356 PolarHBondContact OH-N 2.92Å; Y1356-H1359 HydrophobicContact CD2-CB 4.28Å; Y1356-H1359 AromaticContact CD2-ND1 3.69Å; Y1356-H1359 HydrophobicContact CE2-CB 4.4Å; Y1356-H1359 AromaticContact CE2-CE1 3.86Å; Y1356-H1359 AromaticContact CE2-ND1 3.06Å; Y1356-H1359 WeakPolarHBondContact CE2-ND1 2.94Å; Y1356-H1359 AromaticContact CZ-ND1 3.67Å; Y1356-H1359 WeakPolarHBondContact O-CB 2.98Å; Y1356-Q1360 VanDerWaalsContact CE1-OE1 3.29Å; Y1356-Q1360 VanDerWaalsContact CZ-OE1 3.32Å; Y1356-Q1360 PolarHBondContact OH-OE1 2.96Å; Y1356-W1394 HydrophobicContact CD2-CB 4.5Å; Y1356-W1394 VanDerWaalsContact CE1-O 3.25Å; Y1356-W1394 WeakPolarHBondContact CE1-O 3.48Å; Y1356-W1394 HydrophobicContact CE2-CB 3.63Å; Y1356-W1394 HydrophobicContact CE2-CG 4.35Å; Y1356-W1394 PolarHBondContact OH-N 3.15Å; Y1356-L1397 HydrophobicContact CD1-CB 3.8Å; Y1356-L1397 HydrophobicContact CD1-CD1 4.42Å; Y1356-L1397 HydrophobicContact CD2-CB 4.13Å; Y1356-L1397 HydrophobicContact CD2-CD1 3.22Å; Y1356-L1397 HydrophobicContact CD2-CG 4.3Å; Y1356-L1397 HydrophobicContact CE1-CB 4.37Å; Y1356-L1397 HydrophobicContact CE2-CD1 3.79Å; Y1356-L1397 HydrophobicContact CG-CB 3.69Å; Y1356-L1397 HydrophobicContact CG-CD1 3.59Å; Y1356-L1397 HydrophobicContact CG-CG 4.3Å; Y1356-Q1399 PolarHBondContact N-O 2.78Å
1357R56.4Low62.4Low172 Ų17242.9 Ų42.965%0.64921%0.209SC*.Hα-helixtrans-78.1-48.6-178.9-164.6167.7-178.1164.2-1.2112.4L1355 H1359 Q1360L1355-R1357 PolarHBondContact O-N 3.47Å; R1357-H1359 PolarHBondContact O-N 2.82Å; R1357-Q1360 PolarHBondContact O-N 3.2Å
1358G61.2Low61.5Low21 Ų2150 Ų5022%0.21624%0.241CC..Hα-helixtrans-53.7-21.2175.300000113.3R1293 D1361 Y1362R1293-G1358 CarbonylContact C-O 3.58Å; R1293-G1358 CarbonylContact O-C 3.56Å; G1358-D1361 PolarHBondContact O-N 2.98Å; G1358-Y1362 PolarHBondContact O-N 3.15Å
1359H62.5Low60.6Low6 Ų649.7 Ų49.73%0.02824%0.241CC..Hα-helixtrans-40-70.3163.4-179.5-167.1000115.5T1292 R1293 Y1356 R1357 D1361 Y1362 W1391T1292-H1359 VanDerWaalsContact C-CA 3.48Å; T1292-H1359 WeakPolarHBondContact CB-CD2 3.37Å; T1292-H1359 HydrophobicContact CG2-CB 4.45Å; T1292-H1359 WeakPolarHBondContact CG2-CD2 3.3Å; T1292-H1359 WeakPolarHBondContact O-CA 3.06Å; T1292-H1359 PolarHBondContact O-N 3.02Å; T1292-H1359 VanDerWaalsContact O-N 3.16Å; T1292-H1359 WeakPolarHBondContact OG1-CB 3.24Å; T1292-H1359 PolarHBondContact OG1-CD2 2.89Å; T1292-H1359 PolarHBondContact OG1-ND1 3.14Å; R1293-H1359 PolarHBondContact NH1-NE2 3.17Å; Y1356-H1359 HydrophobicContact CD2-CB 4.28Å; Y1356-H1359 AromaticContact CD2-ND1 3.69Å; Y1356-H1359 HydrophobicContact CE2-CB 4.4Å; Y1356-H1359 AromaticContact CE2-CE1 3.86Å; Y1356-H1359 AromaticContact CE2-ND1 3.06Å; Y1356-H1359 WeakPolarHBondContact CE2-ND1 2.94Å; Y1356-H1359 AromaticContact CZ-ND1 3.67Å; Y1356-H1359 WeakPolarHBondContact O-CB 2.98Å; R1357-H1359 PolarHBondContact O-N 2.82Å; H1359-D1361 PolarHBondContact O-N 3.04Å; H1359-Y1362 WeakPolarHBondContact O-CB 3.25Å; H1359-Y1362 PolarHBondContact O-N 2.83Å; H1359-Y1362 VanDerWaalsContact O-N 3.09Å; H1359-W1391 PolarHBondContact CE1-O 2.75Å; H1359-W1391 WeakPolarHBondContact NE2-CB 3.1Å; H1359-W1391 AromaticContact NE2-CD1 3.47Å; H1359-W1391 AromaticContact NE2-CG 3.54Å
1360Q56.6Low59.7Low65 Ų6550 Ų5030%0.30425%0.245SC..Hα-helixtrans-70.8-26.7-164.6-65.4-174.7-11800107.2Y1356 R1357 L1363 S1364 T1392Y1356-Q1360 VanDerWaalsContact CE1-OE1 3.29Å; Y1356-Q1360 VanDerWaalsContact CZ-OE1 3.32Å; Y1356-Q1360 PolarHBondContact OH-OE1 2.96Å; R1357-Q1360 PolarHBondContact O-N 3.2Å; Q1360-L1363 PolarHBondContact O-N 3.49Å; Q1360-S1364 VanDerWaalsContact O-CB 3.28Å; Q1360-S1364 WeakPolarHBondContact O-CB 3.46Å; Q1360-S1364 PolarHBondContact O-N 2.88Å; Q1360-S1364 VanDerWaalsContact O-N 3.1Å; Q1360-S1364 PolarHBondContact O-OG 2.68Å; Q1360-T1392 PolarHBondContact NE2-O 3.34Å
1361D57.4Low58.5Low83 Ų8353.3 Ų53.344%0.44426%0.262SS..Hα-helixtrans-74.6-24.9175.7-49.4-29.8000113.5G1358 H1359 S1364 K1365G1358-D1361 PolarHBondContact O-N 2.98Å; H1359-D1361 PolarHBondContact O-N 3.04Å; D1361-S1364 WeakPolarHBondContact CA-OG 3.48Å; D1361-S1364 PolarHBondContact O-OG 3.24Å; D1361-K1365 WeakPolarHBondContact O-CB 3.5Å; D1361-K1365 VanDerWaalsContact O-CG 3.3Å; D1361-K1365 WeakPolarHBondContact O-CG 3.4Å
1362Y63.1Low56.8Low4 Ų447.2 Ų47.22%0.01624%0.241CC..Hα-helixtrans-58.6-64.8164.6-161.7-40.7000108.1R1293 I1294 P1295 G1358 H1359 K1365 A1366 H1573 I1578 F1581R1293-Y1362 VanDerWaalsContact C-CG 3.42Å; R1293-Y1362 HydrophobicContact CB-CD2 3.03Å; R1293-Y1362 HydrophobicContact CB-CG 3.4Å; R1293-Y1362 VanDerWaalsContact CB-CG 3.4Å; R1293-Y1362 HydrophobicContact CG-CD2 3.36Å; R1293-Y1362 HydrophobicContact CG-CE2 4.46Å; R1293-Y1362 HydrophobicContact CG-CG 4.07Å; I1294-Y1362 VanDerWaalsContact CA-CB 3.43Å; I1294-Y1362 VanDerWaalsContact CA-CD1 3.47Å; I1294-Y1362 HydrophobicContact CB-CD1 2.33Å; I1294-Y1362 HydrophobicContact CB-CD2 2.28Å; I1294-Y1362 HydrophobicContact CB-CE1 2.33Å; I1294-Y1362 HydrophobicContact CB-CE2 2.31Å; I1294-Y1362 HydrophobicContact CB-CG 2.3Å; I1294-Y1362 WeakPolarHBondContact CB-OH 3.22Å; I1294-Y1362 HydrophobicContact CD1-CD1 3.33Å; I1294-Y1362 HydrophobicContact CD1-CD2 3.78Å; I1294-Y1362 HydrophobicContact CD1-CE1 2.76Å; I1294-Y1362 HydrophobicContact CD1-CE2 3.28Å; I1294-Y1362 HydrophobicContact CD1-CG 3.84Å; I1294-Y1362 WeakPolarHBondContact CD1-OH 3.23Å; I1294-Y1362 HydrophobicContact CG1-CD1 2.3Å; I1294-Y1362 HydrophobicContact CG1-CD2 2.28Å; I1294-Y1362 HydrophobicContact CG1-CE1 2.31Å; I1294-Y1362 HydrophobicContact CG1-CE2 2.3Å; I1294-Y1362 HydrophobicContact CG1-CG 2.32Å; I1294-Y1362 WeakPolarHBondContact CG1-OH 2.99Å; I1294-Y1362 HydrophobicContact CG2-CD1 3.72Å; I1294-Y1362 HydrophobicContact CG2-CD2 3.46Å; I1294-Y1362 VanDerWaalsContact CG2-CD2 3.46Å; I1294-Y1362 HydrophobicContact CG2-CE1 3.08Å; I1294-Y1362 HydrophobicContact CG2-CE2 2.78Å; I1294-Y1362 HydrophobicContact CG2-CG 3.9Å; I1294-Y1362 WeakPolarHBondContact CG2-OH 3.32Å; I1294-Y1362 VanDerWaalsContact N-CA 3.32Å; P1295-Y1362 HydrophobicContact CB-CE1 4.36Å; P1295-Y1362 WeakPolarHBondContact CD-O 3.46Å; P1295-Y1362 HydrophobicContact CG-CD1 3.76Å; P1295-Y1362 HydrophobicContact CG-CE1 3.72Å; G1358-Y1362 PolarHBondContact O-N 3.15Å; H1359-Y1362 WeakPolarHBondContact O-CB 3.25Å; H1359-Y1362 PolarHBondContact O-N 2.83Å; H1359-Y1362 VanDerWaalsContact O-N 3.09Å; Y1362-K1365 CarbonylContact O-C 3.55Å; Y1362-K1365 WeakPolarHBondContact O-CA 3.47Å; Y1362-K1365 WeakPolarHBondContact O-CB 3.46Å; Y1362-K1365 PolarHBondContact O-N 2.68Å; Y1362-A1366 HydrophobicContact CD1-CB 3.4Å; Y1362-A1366 VanDerWaalsContact CD1-CB 3.4Å; Y1362-A1366 HydrophobicContact CE1-CB 3.42Å; Y1362-A1366 VanDerWaalsContact CE1-CB 3.42Å; Y1362-A1366 PolarHBondContact O-N 2.72Å; Y1362-H1573 AromaticContact CZ-CD2 3.95Å; Y1362-H1573 WeakPolarHBondContact OH-CA 3.39Å; Y1362-H1573 WeakPolarHBondContact OH-CB 3.37Å; Y1362-H1573 PolarHBondContact OH-CD2 2.89Å; Y1362-H1573 PolarHBondContact OH-N 3.21Å; Y1362-I1578 HydrophobicContact CE2-CD1 4.33Å; Y1362-I1578 HydrophobicContact CE2-CG2 3.66Å; Y1362-I1578 WeakPolarHBondContact OH-CD1 3.41Å; Y1362-F1581 HydrophobicContact CD2-CE1 4.24Å
1363L55.9Low55Low3 Ų348 Ų482%0.01625%0.246CC..Hα-helixtrans-97.5-13.5-143.9-94.2-174.9000110.3R1293 I1294 Q1360 A1366 W1367 L1372 L1389 W1391R1293-L1363 VanDerWaalsContact NH1-CD1 3.26Å; I1294-L1363 HydrophobicContact CD1-CD2 3.39Å; I1294-L1363 HydrophobicContact CD1-CG 4.1Å; I1294-L1363 HydrophobicContact CG1-CD2 3.61Å; I1294-L1363 HydrophobicContact CG1-CG 3.79Å; Q1360-L1363 PolarHBondContact O-N 3.49Å; L1363-A1366 HydrophobicContact CD2-CB 4.41Å; L1363-W1367 WeakPolarHBondContact O-CB 3.36Å; L1363-W1367 PolarHBondContact O-N 2.98Å; L1363-L1372 HydrophobicContact CD2-CD1 3.52Å; L1363-L1372 HydrophobicContact CD2-CD2 3.81Å; L1363-L1372 HydrophobicContact CD2-CG 4.04Å; L1363-L1389 VanDerWaalsContact O-CD1 3.28Å; L1363-L1389 WeakPolarHBondContact O-CD1 3.35Å; L1363-W1391 HydrophobicContact CB-CD2 4.28Å; L1363-W1391 HydrophobicContact CB-CH2 4.3Å; L1363-W1391 HydrophobicContact CB-CZ2 3.38Å; L1363-W1391 HydrophobicContact CD1-CD2 3.4Å; L1363-W1391 VanDerWaalsContact CD1-CD2 3.4Å; L1363-W1391 HydrophobicContact CD1-CE3 3.58Å; L1363-W1391 HydrophobicContact CD1-CG 4.13Å; L1363-W1391 HydrophobicContact CD1-CH2 3.63Å; L1363-W1391 HydrophobicContact CD1-CZ2 3.45Å; L1363-W1391 VanDerWaalsContact CD1-CZ2 3.45Å; L1363-W1391 HydrophobicContact CD1-CZ3 3.67Å; L1363-W1391 HydrophobicContact CD2-CH2 3.99Å; L1363-W1391 HydrophobicContact CD2-CZ2 3.9Å; L1363-W1391 HydrophobicContact CG-CD2 4.42Å; L1363-W1391 HydrophobicContact CG-CH2 4.2Å; L1363-W1391 HydrophobicContact CG-CZ2 3.75Å
1364S50.6Low53.4Low33 Ų3354 Ų5423%0.23128%0.277CS..Hα-helixtrans-55.6-69.2144.953.30000110.3Q1360 D1361 A1366 W1367 E1368Q1360-S1364 VanDerWaalsContact O-CB 3.28Å; Q1360-S1364 WeakPolarHBondContact O-CB 3.46Å; Q1360-S1364 PolarHBondContact O-N 2.88Å; Q1360-S1364 VanDerWaalsContact O-N 3.1Å; Q1360-S1364 PolarHBondContact O-OG 2.68Å; D1361-S1364 WeakPolarHBondContact CA-OG 3.48Å; D1361-S1364 PolarHBondContact O-OG 3.24Å; S1364-A1366 PolarHBondContact O-N 3.3Å; S1364-W1367 WeakPolarHBondContact O-CA 3.48Å; S1364-W1367 WeakPolarHBondContact O-CB 3.29Å; S1364-W1367 PolarHBondContact O-N 3.23Å; S1364-E1368 WeakPolarHBondContact O-CG 3.29Å; S1364-E1368 PolarHBondContact O-N 2.71Å
1365K54.8Low51.5Low99 Ų9960.8 Ų60.843%0.4331%0.311SS..Hα-helixtrans-50.8-47.3-175.8-75.2-173.4-177.8179.70114.6P1295 D1361 Y1362 W1367 E1368 C1369P1295-K1365 HydrophobicContact CG-CB 4.36Å; P1295-K1365 WeakPolarHBondContact O-CD 3.38Å; D1361-K1365 WeakPolarHBondContact O-CB 3.5Å; D1361-K1365 VanDerWaalsContact O-CG 3.3Å; D1361-K1365 WeakPolarHBondContact O-CG 3.4Å; Y1362-K1365 CarbonylContact O-C 3.55Å; Y1362-K1365 WeakPolarHBondContact O-CA 3.47Å; Y1362-K1365 WeakPolarHBondContact O-CB 3.46Å; Y1362-K1365 PolarHBondContact O-N 2.68Å; K1365-W1367 VanDerWaalsContact C-N 3.29Å; K1365-W1367 PolarHBondContact O-N 3.25Å; K1365-E1368 PolarHBondContact O-N 2.91Å; K1365-C1369 WeakPolarHBondContact O-CB 3.12Å; K1365-C1369 PolarHBondContact O-N 2.74Å; K1365-C1369 PolarHBondContact O-SG 3.33Å
1366A55.9Low49.6Very low1 Ų160.3 Ų60.31%0.00831%0.311CS..Hα-helixtrans-71.5-22-179.300000114.5P1295 Y1362 L1363 S1364 G1370 N1371 L1372P1295-A1366 HydrophobicContact CG-CB 3.89Å; Y1362-A1366 HydrophobicContact CD1-CB 3.4Å; Y1362-A1366 VanDerWaalsContact CD1-CB 3.4Å; Y1362-A1366 HydrophobicContact CE1-CB 3.42Å; Y1362-A1366 VanDerWaalsContact CE1-CB 3.42Å; Y1362-A1366 PolarHBondContact O-N 2.72Å; L1363-A1366 HydrophobicContact CD2-CB 4.41Å; S1364-A1366 PolarHBondContact O-N 3.3Å; A1366-G1370 PolarHBondContact O-N 2.86Å; A1366-N1371 PolarHBondContact O-N 3.31Å; A1366-L1372 HydrophobicContact CB-CD1 3.92Å; A1366-L1372 HydrophobicContact CB-CG 4.18Å; A1366-L1372 PolarHBondContact O-N 2.7Å
1367W45.8Very low48.4Very low105 Ų10561.5 Ų61.540%0.39832%0.318SS..Hα-helixtrans-81.4-38.5172.1-176.6-97.4000110.5L1363 S1364 K1365 G1370 L1372 L1389L1363-W1367 WeakPolarHBondContact O-CB 3.36Å; L1363-W1367 PolarHBondContact O-N 2.98Å; S1364-W1367 WeakPolarHBondContact O-CA 3.48Å; S1364-W1367 WeakPolarHBondContact O-CB 3.29Å; S1364-W1367 PolarHBondContact O-N 3.23Å; K1365-W1367 VanDerWaalsContact C-N 3.29Å; K1365-W1367 PolarHBondContact O-N 3.25Å; W1367-G1370 PolarHBondContact O-N 2.89Å; W1367-L1372 HydrophobicContact CB-CD1 3.84Å; W1367-L1372 HydrophobicContact CE3-CD1 3.95Å; W1367-L1389 HydrophobicContact CB-CD1 4.48Å; W1367-L1389 HydrophobicContact CB-CD2 4.07Å; W1367-L1389 HydrophobicContact CD2-CD2 3.23Å; W1367-L1389 HydrophobicContact CE3-CD2 3.55Å; W1367-L1389 HydrophobicContact CG-CD2 3.53Å; W1367-L1389 HydrophobicContact CH2-CD2 4.01Å; W1367-L1389 HydrophobicContact CZ2-CD2 3.75Å; W1367-L1389 HydrophobicContact CZ3-CD2 3.92Å
1368E47.6Very low47.4Very low156 Ų15655.1 Ų55.173%0.72930%0.297SS*.Hα-helixtrans-63.1-42170-68.3178.3166.500111.9S1364 K1365 G1370S1364-E1368 WeakPolarHBondContact O-CG 3.29Å; S1364-E1368 PolarHBondContact O-N 2.71Å; K1365-E1368 PolarHBondContact O-N 2.91Å; E1368-G1370 PolarHBondContact O-N 2.77Å
1369C49.2Very low45.9Very low48 Ų4855.8 Ų55.832%0.32430%0.296SS..THydrogen-bonded Turntrans-73-11.8174.4-63.10000113.6K1365 N1371K1365-C1369 WeakPolarHBondContact O-CB 3.12Å; K1365-C1369 PolarHBondContact O-N 2.74Å; K1365-C1369 PolarHBondContact O-SG 3.33Å; C1369-N1371 PolarHBondContact O-N 2.76Å; C1369-N1371 VanDerWaalsContact O-N 3.15Å
1370G44.9Very low44.5Very low51 Ų5159.5 Ų59.553%0.52631%0.313SS..THydrogen-bonded Turntrans63.515.6-178.400000115.7A1366 W1367 E1368A1366-G1370 PolarHBondContact O-N 2.86Å; W1367-G1370 PolarHBondContact O-N 2.89Å; E1368-G1370 PolarHBondContact O-N 2.77Å
1371N46Very low43.2Very low81 Ų8161.9 Ų61.943%0.43332%0.324SS..  trans-91.3-9.6-177-81-40.3000113.6L1296 A1366 C1369L1296-N1371 HydrophobicContact CD1-CB 3.98Å; L1296-N1371 WeakPolarHBondContact CD1-ND2 3.32Å; A1366-N1371 PolarHBondContact O-N 3.31Å; C1369-N1371 PolarHBondContact O-N 2.76Å; C1369-N1371 VanDerWaalsContact O-N 3.15Å
1372L40.5Very low42.1Very low25 Ų2564.9 Ų64.913%0.13133%0.333CS..SBendtrans-57.7144.6152.1-83.3145.6000109.5L1363 A1366 W1367 L1374 H1573L1363-L1372 HydrophobicContact CD2-CD1 3.52Å; L1363-L1372 HydrophobicContact CD2-CD2 3.81Å; L1363-L1372 HydrophobicContact CD2-CG 4.04Å; A1366-L1372 HydrophobicContact CB-CD1 3.92Å; A1366-L1372 HydrophobicContact CB-CG 4.18Å; A1366-L1372 PolarHBondContact O-N 2.7Å; W1367-L1372 HydrophobicContact CB-CD1 3.84Å; W1367-L1372 HydrophobicContact CE3-CD1 3.95Å; L1372-L1374 PolarHBondContact O-N 3.19Å; L1372-L1374 VanDerWaalsContact O-N 3.07Å; L1372-H1573 WeakPolarHBondContact CD2-NE2 3.37Å; L1372-H1573 WeakPolarHBondContact CG-NE2 3.49Å
1373P36.9Very low40.5Very low16 Ų1670.2 Ų70.210%0.10437%0.366CS..  trans-50.3121.8150.4-16.528.1000107.8M1375 V1413 I1415 V1525 H1573P1373-M1375 PolarHBondContact O-N 3.1Å; P1373-V1413 HydrophobicContact CG-CG1 4.47Å; P1373-I1415 HydrophobicContact CB-CD1 4.06Å; P1373-I1415 HydrophobicContact CB-CG1 3.93Å; P1373-I1415 HydrophobicContact CG-CD1 3.85Å; P1373-I1415 HydrophobicContact CG-CG1 3.97Å; P1373-V1525 HydrophobicContact CG-CB 4.43Å; P1373-V1525 HydrophobicContact CG-CG1 4.36Å; P1373-H1573 VanDerWaalsContact CD-CE1 3.43Å; P1373-H1573 WeakPolarHBondContact CD-CE1 3.38Å
1374L37.5Very low39.2Very low126 Ų12677.3 Ų77.366%0.6640%0.404SS*.  trans-41.3133.5154.6-109.3160.1000107.4F810 L1372 G1376F810-L1374 WeakPolarHBondContact CE1-O 3.45Å; F810-L1374 WeakPolarHBondContact CZ-O 3.47Å; L1372-L1374 PolarHBondContact O-N 3.19Å; L1372-L1374 VanDerWaalsContact O-N 3.07Å; L1374-G1376 PolarHBondContact O-N 2.71Å
1375M33Very low38.1Very low144 Ų14481 Ų8171%0.70943%0.43SS*.SBendtrans-89.646.4156.6-78.3-156.1165.100111.2F810 P1373F810-M1375 HydrophobicContact CD1-CB 4.38Å; P1373-M1375 PolarHBondContact O-N 3.1Å
1376G28.9Very low36.8Very low10 Ų1082.1 Ų82.110%0.10345%0.447CS..  trans-146.7107.7171.800000114L1374L1374-G1376 PolarHBondContact O-N 2.71Å
1377N32.4Very low35.7Very low42 Ų4286.7 Ų86.723%0.22548%0.477CS..  trans93.8140.2143.2-49.2-65.2000121.6F810 D1379 Q1380F810-N1377 VanDerWaalsContact CE2-N 3.34Å; F810-N1377 WeakPolarHBondContact CE2-O 3.26Å; N1377-D1379 VanDerWaalsContact CA-N 3.26Å; N1377-D1379 PolarHBondContact OD1-O 3.41Å; N1377-D1379 VanDerWaalsContact OD1-O 3.04Å; N1377-Q1380 HydrophobicContact CB-CB 3.87Å; N1377-Q1380 HydrophobicContact CB-CG 3.43Å; N1377-Q1380 VanDerWaalsContact CB-CG 3.43Å; N1377-Q1380 VanDerWaalsContact CG-CA 3.45Å; N1377-Q1380 VanDerWaalsContact OD1-CA 3.25Å; N1377-Q1380 WeakPolarHBondContact OD1-CA 3.42Å; N1377-Q1380 PolarHBondContact OD1-N 3.07Å
1378L33.9Very low35.1Very low38 Ų3885.3 Ų85.320%0.19948%0.484CS..SBendcis74.1-16.9-43.179.564000120.1N806 L807 R808 Y812N806-L1378 HydrophobicContact CB-CB 4.45Å; N806-L1378 HydrophobicContact CB-CD1 3.78Å; N806-L1378 VanDerWaalsContact CB-O 3.29Å; N806-L1378 WeakPolarHBondContact CB-O 3.15Å; N806-L1378 PolarHBondContact ND2-O 2.84Å; L807-L1378 HydrophobicContact CB-CD1 3.83Å; L807-L1378 VanDerWaalsContact N-CD1 3.25Å; R808-L1378 HydrophobicContact CB-CD1 3.7Å; R808-L1378 HydrophobicContact CB-CG 4.32Å; R808-L1378 HydrophobicContact CG-CD1 3.76Å; R808-L1378 HydrophobicContact CG-CG 4.12Å; Y812-L1378 WeakPolarHBondContact CE1-O 3.29Å
1379D30Very low34.5Very low36 Ų3678.9 Ų78.919%0.19345%0.454CS..SBend157.5167.993.9-78.5-24.7000105.8N806 Y812 P813 R816 N1377N806-D1379 PolarHBondContact ND2-N 3.4Å; Y812-D1379 CarbonylContact C-O 3.52Å; Y812-D1379 VanDerWaalsContact CA-O 3.28Å; Y812-D1379 WeakPolarHBondContact CA-O 2.95Å; Y812-D1379 HydrophobicContact CD1-CB 4.48Å; P813-D1379 WeakPolarHBondContact CD-O 3.19Å; R816-D1379 IonicContact CZ-OD2 3.52Å; R816-D1379 IonicContact NH1-OD2 3.01Å; R816-D1379 PolarHBondContact NH1-OD2 3.4Å; R816-D1379 IonicContact NH2-OD2 2.75Å; R816-D1379 PolarHBondContact NH2-OD2 2.92Å; N1377-D1379 VanDerWaalsContact CA-N 3.26Å; N1377-D1379 PolarHBondContact OD1-O 3.41Å; N1377-D1379 VanDerWaalsContact OD1-O 3.04Å
1380Q34.6Very low33.9Very low83 Ų8380 Ų8039%0.38846%0.461SS..  -155.8129.2-71.5-142.1149.844.600109.1P813 N1377P813-Q1380 WeakPolarHBondContact CB-O 3.46Å; P813-Q1380 VanDerWaalsContact CG-N 3.31Å; N1377-Q1380 HydrophobicContact CB-CB 3.87Å; N1377-Q1380 HydrophobicContact CB-CG 3.43Å; N1377-Q1380 VanDerWaalsContact CB-CG 3.43Å; N1377-Q1380 VanDerWaalsContact CG-CA 3.45Å; N1377-Q1380 VanDerWaalsContact OD1-CA 3.25Å; N1377-Q1380 WeakPolarHBondContact OD1-CA 3.42Å; N1377-Q1380 PolarHBondContact OD1-N 3.07Å
1381Q29.1Very low34Very low116 Ų11679.3 Ų79.354%0.54244%0.442SS..  trans71.9150.7164.7-30.4174.1-3.500116.4P813P813-Q1381 WeakPolarHBondContact CB-O 3.44Å
1382K33.1Very low33.5Very low146 Ų14678.2 Ų78.264%0.63544%0.439SS*.  cis-148.612121.1-74.2-174.5178.2-1590113.1
1383T29.8Very low33.5Very low116 Ų11677.5 Ų77.571%0.71244%0.435SS*.  45.7142.1126.8680000121.2
1384N28.8Very low34Very low151 Ų15178.6 Ų78.681%0.80744%0.437SS*.  cis-148.8107.226.2-69.4-79.2000114.2
1385S27.6Very low34.1Very low110 Ų11076.6 Ų76.677%0.76943%0.432SS*.  trans-171.2152.9144.452.50000108.1
1386P27.3Very low34.6Very low123 Ų12374.7 Ų74.780%0.79943%0.425SS*.PPolyproline II helixtrans-80.1127.5-18030.7-32.1000110.9
1387P33Very low35.5Very low98 Ų9874.8 Ų74.864%0.63642%0.423SS*.PPolyproline II helixtrans-75.8150.7170.431.9-33.5000111.2
1388S32.7Very low36.3Very low76 Ų7674.2 Ų74.253%0.53142%0.422SS..PPolyproline II helixtrans-69.9173.1171.850.70000112.2
1389L35.7Very low37.4Very low20 Ų2077.5 Ų77.511%0.10544%0.436CS..PPolyproline II helixtrans-96.6134.9-172.5-73.3-179.5000110.8D845 L1363 W1367 W1391 T1392D845-L1389 VanDerWaalsContact OD2-O 3.05Å; L1363-L1389 VanDerWaalsContact O-CD1 3.28Å; L1363-L1389 WeakPolarHBondContact O-CD1 3.35Å; W1367-L1389 HydrophobicContact CB-CD1 4.48Å; W1367-L1389 HydrophobicContact CB-CD2 4.07Å; W1367-L1389 HydrophobicContact CD2-CD2 3.23Å; W1367-L1389 HydrophobicContact CE3-CD2 3.55Å; W1367-L1389 HydrophobicContact CG-CD2 3.53Å; W1367-L1389 HydrophobicContact CH2-CD2 4.01Å; W1367-L1389 HydrophobicContact CZ2-CD2 3.75Å; W1367-L1389 HydrophobicContact CZ3-CD2 3.92Å; L1389-W1391 HydrophobicContact CB-CD2 4.32Å; L1389-W1391 HydrophobicContact CB-CZ2 3.61Å; L1389-W1391 HydrophobicContact CD1-CZ2 3.88Å; L1389-W1391 HydrophobicContact CD2-CH2 4.01Å; L1389-W1391 HydrophobicContact CD2-CZ2 3.4Å; L1389-W1391 VanDerWaalsContact CD2-CZ2 3.4Å; L1389-W1391 HydrophobicContact CG-CZ2 3.82Å; L1389-W1391 PolarHBondContact O-N 3.06Å; L1389-T1392 PolarHBondContact O-N 2.97Å; L1389-T1392 PolarHBondContact O-OG1 3.33Å
1390P37Very low38.9Very low72 Ų7276.4 Ų76.447%0.46843%0.429SS..THydrogen-bonded Turntrans-78.955.3-170.131.7-35.9000113.5V847V847-P1390 HydrophobicContact CG2-CB 4.23Å
1391W46.4Very low40.3Very low36 Ų3672.5 Ų72.514%0.13641%0.411CS..THydrogen-bonded Turntrans-175.214.9-177.753.370.7000113.4H1359 L1363 L1389 T1393H1359-W1391 PolarHBondContact CE1-O 2.75Å; H1359-W1391 WeakPolarHBondContact NE2-CB 3.1Å; H1359-W1391 AromaticContact NE2-CD1 3.47Å; H1359-W1391 AromaticContact NE2-CG 3.54Å; L1363-W1391 HydrophobicContact CB-CD2 4.28Å; L1363-W1391 HydrophobicContact CB-CH2 4.3Å; L1363-W1391 HydrophobicContact CB-CZ2 3.38Å; L1363-W1391 HydrophobicContact CD1-CD2 3.4Å; L1363-W1391 VanDerWaalsContact CD1-CD2 3.4Å; L1363-W1391 HydrophobicContact CD1-CE3 3.58Å; L1363-W1391 HydrophobicContact CD1-CG 4.13Å; L1363-W1391 HydrophobicContact CD1-CH2 3.63Å; L1363-W1391 HydrophobicContact CD1-CZ2 3.45Å; L1363-W1391 VanDerWaalsContact CD1-CZ2 3.45Å; L1363-W1391 HydrophobicContact CD1-CZ3 3.67Å; L1363-W1391 HydrophobicContact CD2-CH2 3.99Å; L1363-W1391 HydrophobicContact CD2-CZ2 3.9Å; L1363-W1391 HydrophobicContact CG-CD2 4.42Å; L1363-W1391 HydrophobicContact CG-CH2 4.2Å; L1363-W1391 HydrophobicContact CG-CZ2 3.75Å; L1389-W1391 HydrophobicContact CB-CD2 4.32Å; L1389-W1391 HydrophobicContact CB-CZ2 3.61Å; L1389-W1391 HydrophobicContact CD1-CZ2 3.88Å; L1389-W1391 HydrophobicContact CD2-CH2 4.01Å; L1389-W1391 HydrophobicContact CD2-CZ2 3.4Å; L1389-W1391 VanDerWaalsContact CD2-CZ2 3.4Å; L1389-W1391 HydrophobicContact CG-CZ2 3.82Å; L1389-W1391 PolarHBondContact O-N 3.06Å; W1391-T1393 PolarHBondContact O-N 3.1Å
1392T35.9Very low42.4Very low59 Ų5967 Ų6736%0.36239%0.385SS..  trans-74.316.6-170.77.20000115.4D845 Q1360 L1389D845-T1392 PolarHBondContact OD2-N 3.04Å; D845-T1392 PolarHBondContact OD2-OG1 2.78Å; Q1360-T1392 PolarHBondContact NE2-O 3.34Å; L1389-T1392 PolarHBondContact O-N 2.97Å; L1389-T1392 PolarHBondContact O-OG1 3.33Å
1393T39.6Very low44.5Very low9 Ų960 Ų606%0.05536%0.355CS..  trans-153.832.8-130.944.60000115.8L838 G843 E844 D845 W1391 P1395L838-T1393 HydrophobicContact CD2-CG2 3.55Å; L838-T1393 HydrophobicContact CG-CG2 4.04Å; G843-T1393 CarbonylContact C-O 3.53Å; G843-T1393 VanDerWaalsContact C-O 3.27Å; G843-T1393 CarbonylContact O-C 3.56Å; G843-T1393 WeakPolarHBondContact O-CB 3.44Å; G843-T1393 WeakPolarHBondContact O-CG2 3.34Å; E844-T1393 WeakPolarHBondContact CA-O 3.4Å; E844-T1393 WeakPolarHBondContact CG-O 3.46Å; E844-T1393 PolarHBondContact N-O 2.75Å; D845-T1393 HydrophobicContact CB-CG2 3.88Å; D845-T1393 VanDerWaalsContact CB-OG1 3.29Å; D845-T1393 WeakPolarHBondContact CB-OG1 3.4Å; D845-T1393 PolarHBondContact N-OG1 3.09Å; D845-T1393 WeakPolarHBondContact OD2-CG2 3.36Å; D845-T1393 PolarHBondContact OD2-OG1 2.84Å; D845-T1393 VanDerWaalsContact OD2-OG1 3.09Å; W1391-T1393 PolarHBondContact O-N 3.1Å; T1393-P1395 VanDerWaalsContact O-CD 3.23Å; T1393-P1395 WeakPolarHBondContact O-CD 3.49Å
1394W46.6Very low46.7Very low39 Ų3955.9 Ų55.915%0.14833%0.331CS..  trans-111.464.3163.1-67.632.9000108.5E844 L1289 P1290 Y1356 D1396 L1397 Y1563 I1568E844-W1394 HydrophobicContact CG-CG 4.37Å; E844-W1394 PolarHBondContact OE2-NE1 2.66Å; L1289-W1394 HydrophobicContact CB-CZ3 4.17Å; L1289-W1394 HydrophobicContact CD1-CE3 4.34Å; L1289-W1394 HydrophobicContact CD1-CZ3 3.82Å; L1289-W1394 HydrophobicContact CD2-CH2 3.66Å; L1289-W1394 HydrophobicContact CD2-CZ3 3.37Å; L1289-W1394 HydrophobicContact CG-CZ3 3.92Å; P1290-W1394 HydrophobicContact CB-CZ3 4.4Å; Y1356-W1394 HydrophobicContact CD2-CB 4.5Å; Y1356-W1394 VanDerWaalsContact CE1-O 3.25Å; Y1356-W1394 WeakPolarHBondContact CE1-O 3.48Å; Y1356-W1394 HydrophobicContact CE2-CB 3.63Å; Y1356-W1394 HydrophobicContact CE2-CG 4.35Å; Y1356-W1394 PolarHBondContact OH-N 3.15Å; W1394-D1396 PolarHBondContact O-N 3.16Å; W1394-L1397 HydrophobicContact CB-CB 4.41Å; W1394-L1397 HydrophobicContact CB-CD1 3.97Å; W1394-L1397 HydrophobicContact CB-CG 4.22Å; W1394-L1397 HydrophobicContact CD2-CD1 4.14Å; W1394-L1397 HydrophobicContact CE3-CD1 3.38Å; W1394-L1397 HydrophobicContact CE3-CG 3.81Å; W1394-L1397 HydrophobicContact CG-CD1 4.43Å; W1394-L1397 HydrophobicContact CZ3-CD1 4.16Å; W1394-L1397 PolarHBondContact O-N 3.13Å; W1394-L1397 VanDerWaalsContact O-N 3.14Å; W1394-Y1563 AromaticContact CD2-CE1 3.89Å; W1394-Y1563 HydrophobicContact CD2-CE1 3.89Å; W1394-Y1563 HydrophobicContact CE3-CD1 4.03Å; W1394-Y1563 AromaticContact CE3-CE1 3.38Å; W1394-Y1563 HydrophobicContact CE3-CE1 3.38Å; W1394-Y1563 AromaticContact CE3-CZ 3.92Å; W1394-Y1563 HydrophobicContact CH2-CD1 4.4Å; W1394-Y1563 HydrophobicContact CH2-CE1 4.39Å; W1394-Y1563 AromaticContact CZ3-CD1 3.88Å; W1394-Y1563 HydrophobicContact CZ3-CD1 3.88Å; W1394-Y1563 AromaticContact CZ3-CE1 3.72Å; W1394-Y1563 HydrophobicContact CZ3-CE1 3.72Å; W1394-I1568 HydrophobicContact CH2-CD1 3.75Å; W1394-I1568 HydrophobicContact CH2-CG1 4.48Å; W1394-I1568 HydrophobicContact CZ2-CD1 4.48Å
1395P39.8Very low49.1Very low85 Ų8548.9 Ų48.955%0.55229%0.293SS*.THydrogen-bonded Turntrans-62.3-29.3-165.926-35.7000113.8T1393T1393-P1395 VanDerWaalsContact O-CD 3.23Å; T1393-P1395 WeakPolarHBondContact O-CD 3.49Å
1396D43.8Very low51.1Low104 Ų10448.5 Ų48.556%0.55628%0.279SS*.THydrogen-bonded Turntrans-97.620.2-179-89.821.1000113.5W1394W1394-D1396 PolarHBondContact O-N 3.16Å
1397L49.2Very low52.9Low11 Ų1147.7 Ų47.76%0.05826%0.263CS..SBendtrans-72.7127.8167.7-110.1-178.8000110.6L1289 P1290 Y1356 W1394 Q1399 L1401L1289-L1397 HydrophobicContact CD1-CD2 3.57Å; L1289-L1397 HydrophobicContact CD1-CG 4.35Å; P1290-L1397 HydrophobicContact CB-CD1 4.33Å; P1290-L1397 HydrophobicContact CG-CD1 3.7Å; P1290-L1397 HydrophobicContact CG-CD2 3.97Å; Y1356-L1397 HydrophobicContact CD1-CB 3.8Å; Y1356-L1397 HydrophobicContact CD1-CD1 4.42Å; Y1356-L1397 HydrophobicContact CD2-CB 4.13Å; Y1356-L1397 HydrophobicContact CD2-CD1 3.22Å; Y1356-L1397 HydrophobicContact CD2-CG 4.3Å; Y1356-L1397 HydrophobicContact CE1-CB 4.37Å; Y1356-L1397 HydrophobicContact CE2-CD1 3.79Å; Y1356-L1397 HydrophobicContact CG-CB 3.69Å; Y1356-L1397 HydrophobicContact CG-CD1 3.59Å; Y1356-L1397 HydrophobicContact CG-CG 4.3Å; W1394-L1397 HydrophobicContact CB-CB 4.41Å; W1394-L1397 HydrophobicContact CB-CD1 3.97Å; W1394-L1397 HydrophobicContact CB-CG 4.22Å; W1394-L1397 HydrophobicContact CD2-CD1 4.14Å; W1394-L1397 HydrophobicContact CE3-CD1 3.38Å; W1394-L1397 HydrophobicContact CE3-CG 3.81Å; W1394-L1397 HydrophobicContact CG-CD1 4.43Å; W1394-L1397 HydrophobicContact CZ3-CD1 4.16Å; W1394-L1397 PolarHBondContact O-N 3.13Å; W1394-L1397 VanDerWaalsContact O-N 3.14Å; L1397-Q1399 PolarHBondContact O-N 3.19Å; L1397-L1401 HydrophobicContact CD2-CD1 3.46Å; L1397-L1401 VanDerWaalsContact CD2-CD1 3.46Å
1398P47.4Very low54.8Low31 Ų3144.2 Ų44.220%0.20124%0.239CC..  trans-57.5138.9163.925.4-35.1000109.7F1400 L1401P1398-F1400 PolarHBondContact O-N 3.2Å; P1398-L1401 HydrophobicContact CG-CD1 4.23Å; P1398-L1401 HydrophobicContact CG-CD2 3.83Å; P1398-L1401 HydrophobicContact CG-CG 4.09Å
1399Q57.1Low56.1Low106 Ų10641.6 Ų41.650%0.49522%0.22SC..SBendtrans-59-21.9-164.9-63.6-1797.400114.7L1355 Y1356 L1397L1355-Q1399 CarbonylContact C-O 3.6Å; L1355-Q1399 WeakPolarHBondContact CA-O 2.98Å; Y1356-Q1399 PolarHBondContact N-O 2.78Å; L1397-Q1399 PolarHBondContact O-N 3.19Å
1400F61.2Low57.2Low14 Ų1442.4 Ų42.46%0.06122%0.222CC..EExtended strand (participates in β ladder)trans-138.5152.4173.268.1-95.6000111.9V1353 Y1354 L1355 P1398 Y1540 F1588 L1646V1353-F1400 HydrophobicContact CG1-CB 4.03Å; V1353-F1400 HydrophobicContact CG1-CD2 4.24Å; Y1354-F1400 CarbonylContact O-C 3.6Å; Y1354-F1400 WeakPolarHBondContact O-CA 3.17Å; L1355-F1400 HydrophobicContact CD2-CB 3.55Å; P1398-F1400 PolarHBondContact O-N 3.2Å; F1400-Y1540 HydrophobicContact CE2-CE2 4.04Å; F1400-Y1540 AromaticContact CZ-CE2 3.66Å; F1400-Y1540 HydrophobicContact CZ-CE2 3.66Å; F1400-F1588 HydrophobicContact CB-CE2 4.34Å; F1400-F1588 HydrophobicContact CB-CZ 4.31Å; F1400-F1588 HydrophobicContact CD1-CE2 4.3Å; F1400-F1588 AromaticContact CD1-CZ 3.84Å; F1400-F1588 HydrophobicContact CD1-CZ 3.84Å; F1400-F1588 AromaticContact CD2-CE1 3.73Å; F1400-F1588 HydrophobicContact CD2-CE1 3.73Å; F1400-F1588 HydrophobicContact CD2-CE2 4.11Å; F1400-F1588 AromaticContact CD2-CZ 3.28Å; F1400-F1588 HydrophobicContact CD2-CZ 3.28Å; F1400-F1588 AromaticContact CE1-CZ 3.92Å; F1400-F1588 HydrophobicContact CE1-CZ 3.92Å; F1400-F1588 AromaticContact CE2-CE1 3.63Å; F1400-F1588 HydrophobicContact CE2-CE1 3.63Å; F1400-F1588 AromaticContact CE2-CZ 3.39Å; F1400-F1588 HydrophobicContact CE2-CZ 3.39Å; F1400-F1588 HydrophobicContact CG-CE1 4.41Å; F1400-F1588 AromaticContact CG-CE2 3.99Å; F1400-F1588 HydrophobicContact CG-CE2 3.99Å; F1400-F1588 AromaticContact CG-CZ 3.53Å; F1400-F1588 HydrophobicContact CG-CZ 3.53Å; F1400-F1588 HydrophobicContact CZ-CE1 4.22Å; F1400-F1588 AromaticContact CZ-CZ 3.71Å; F1400-F1588 HydrophobicContact CZ-CZ 3.71Å; F1400-L1646 HydrophobicContact CE1-CD2 3.96Å
1401L65.1Low57.8Low0 Ų043.1 Ų43.10%022%0.219CC..EExtended strand (participates in β ladder)trans-150.9145.1175.6-73.7176.3000111.3R1288 L1289 P1290 Y1354 L1397 P1398 I1534R1288-L1401 HydrophobicContact CG-CD1 4.38Å; L1289-L1401 HydrophobicContact CB-CD1 4.22Å; L1289-L1401 HydrophobicContact CD1-CD1 4.35Å; P1290-L1401 HydrophobicContact CG-CD1 3.91Å; Y1354-L1401 HydrophobicContact CD1-CB 4.15Å; Y1354-L1401 HydrophobicContact CE1-CB 4.24Å; Y1354-L1401 PolarHBondContact N-O 2.75Å; Y1354-L1401 PolarHBondContact O-N 2.72Å; L1397-L1401 HydrophobicContact CD2-CD1 3.46Å; L1397-L1401 VanDerWaalsContact CD2-CD1 3.46Å; P1398-L1401 HydrophobicContact CG-CD1 4.23Å; P1398-L1401 HydrophobicContact CG-CD2 3.83Å; P1398-L1401 HydrophobicContact CG-CG 4.09Å; L1401-I1534 HydrophobicContact CB-CD1 3.52Å; L1401-I1534 HydrophobicContact CB-CG1 4.46Å; L1401-I1534 HydrophobicContact CD1-CD1 3.7Å; L1401-I1534 HydrophobicContact CD2-CD1 4.17Å; L1401-I1534 HydrophobicContact CG-CD1 3.98Å
1402C73.8Confident57.8Low0 Ų046.1 Ų46.10%024%0.237CC..EExtended strand (participates in β ladder)trans-112.3126.7-168-45.10000114V1352 V1353 I1534 E1535 Q1538 R1585V1352-C1402 CarbonylContact O-C 3.49Å; V1352-C1402 VanDerWaalsContact O-CA 3.32Å; V1352-C1402 WeakPolarHBondContact O-CA 3.42Å; V1353-C1402 VanDerWaalsContact CG1-SG 3.59Å; V1353-C1402 HydrophobicContact CG2-CB 3.95Å; V1353-C1402 WeakPolarHBondContact CG2-SG 3.36Å; C1402-I1534 CarbonylContact O-C 3.52Å; C1402-I1534 VanDerWaalsContact O-CA 3.23Å; C1402-I1534 WeakPolarHBondContact O-CA 3.48Å; C1402-I1534 WeakPolarHBondContact O-CG2 3.12Å; C1402-E1535 PolarHBondContact O-N 3.47Å; C1402-Q1538 VanDerWaalsContact N-NE2 3.18Å; C1402-Q1538 PolarHBondContact SG-NE2 2.8Å; C1402-R1585 VanDerWaalsContact SG-CZ 3.51Å; C1402-R1585 PolarHBondContact SG-NH1 2.98Å
1403C75.5Confident58.3Low0 Ų045.5 Ų45.50%023%0.233CC..EExtended strand (participates in β ladder)trans-132.8176.6-162.1-36.30000114.7R1351 V1352 L1532 Q1533 I1534R1351-C1403 CarbonylContact C-O 3.59Å; R1351-C1403 WeakPolarHBondContact CA-O 2.93Å; V1352-C1403 HydrophobicContact CG2-CB 3.77Å; V1352-C1403 PolarHBondContact N-O 3.45Å; V1352-C1403 PolarHBondContact O-N 3.33Å; C1403-L1532 HydrophobicContact CB-CB 3.88Å; C1403-L1532 HydrophobicContact CB-CD1 4.14Å; C1403-L1532 HydrophobicContact CB-CD2 4.16Å; C1403-L1532 HydrophobicContact CB-CG 4.29Å; C1403-Q1533 CarbonylContact C-O 3.58Å; C1403-Q1533 VanDerWaalsContact C-O 3.29Å; C1403-Q1533 WeakPolarHBondContact CA-O 3.05Å; C1403-I1534 HydrophobicContact CB-CG1 4.3Å; C1403-I1534 WeakPolarHBondContact SG-CG1 3.46Å
1404S77.5Confident58.3Low29 Ų2951.1 Ų51.120%0.20325%0.253CS..EExtended strand (participates in β ladder)trans-135.3139.9168.259.30000112.7D1350 Q1406 L1532 Q1533D1350-S1404 CarbonylContact O-C 3.54Å; D1350-S1404 WeakPolarHBondContact O-CA 3.49Å; S1404-Q1406 PolarHBondContact O-N 3.34Å; S1404-L1532 WeakPolarHBondContact O-CA 3.05Å; S1404-Q1533 PolarHBondContact N-O 3Å; S1404-Q1533 PolarHBondContact O-N 3.39Å; S1404-Q1533 PolarHBondContact OG-O 3.26Å
1405V77.7Confident58.3Low4 Ų451.2 Ų51.22%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-77.199.8-177.6-173.70000110.9P1346 Q1347 G1349 D1350 I1408 E1531 L1532P1346-V1405 HydrophobicContact CB-CG2 4.33Å; Q1347-V1405 VanDerWaalsContact O-CB 3.32Å; Q1347-V1405 WeakPolarHBondContact O-CB 3.42Å; G1349-V1405 PolarHBondContact N-O 3.48Å; D1350-V1405 HydrophobicContact CB-CG2 4.22Å; D1350-V1405 PolarHBondContact O-N 2.81Å; V1405-I1408 HydrophobicContact CG1-CD1 4.2Å; V1405-I1408 HydrophobicContact CG1-CG1 3.77Å; V1405-E1531 CarbonylContact C-O 3.59Å; V1405-E1531 WeakPolarHBondContact CA-O 3.39Å; V1405-L1532 HydrophobicContact CB-CD2 4.22Å; V1405-L1532 HydrophobicContact CG2-CD2 3.55Å
1406Q70.5Confident58.2Low102 Ų10248.7 Ų48.748%0.47724%0.242SC..EExtended strand (participates in β ladder)trans-69.2-38.4173.7-85.9-93.7-1700112.7T1348 S1404 E1531 Q1533T1348-Q1406 VanDerWaalsContact CG2-O 3.27Å; T1348-Q1406 WeakPolarHBondContact CG2-O 3.23Å; S1404-Q1406 PolarHBondContact O-N 3.34Å; Q1406-E1531 HydrophobicContact CB-CB 4.03Å; Q1406-E1531 HydrophobicContact CB-CG 4.09Å; Q1406-E1531 WeakPolarHBondContact CB-O 3.47Å; Q1406-E1531 PolarHBondContact N-O 2.95Å; Q1406-Q1533 HydrophobicContact CG-CB 4.15Å
1407K65.8Low57.7Low106 Ų10646.1 Ų46.146%0.46124%0.24SC..EExtended strand (participates in β ladder)trans-157.5155.5-170.4-162.7-174.9-175.3179.40110.4T1409 L1530 E1531K1407-T1409 HydrophobicContact CD-CG2 4.04Å; K1407-T1409 HydrophobicContact CG-CG2 4.28Å; K1407-L1530 CarbonylContact O-C 3.43Å; K1407-L1530 WeakPolarHBondContact O-CA 2.69Å; K1407-E1531 HydrophobicContact CB-CB 3.63Å; K1407-E1531 HydrophobicContact CB-CG 4.44Å; K1407-E1531 WeakPolarHBondContact CB-OE2 3.39Å; K1407-E1531 WeakPolarHBondContact CD-OE2 3.34Å; K1407-E1531 PolarHBondContact O-N 3.36Å
1408I71.5Confident56.8Low25 Ų2551.2 Ų51.213%0.12827%0.268CS..EExtended strand (participates in β ladder)trans-127134.6168.4-55.9-175.7000107.1P1346 V1405 Y1410 I1528 L1530P1346-I1408 WeakPolarHBondContact O-CD1 3.19Å; V1405-I1408 HydrophobicContact CG1-CD1 4.2Å; V1405-I1408 HydrophobicContact CG1-CG1 3.77Å; I1408-Y1410 HydrophobicContact CB-CE2 4.4Å; I1408-Y1410 HydrophobicContact CG2-CD2 4.16Å; I1408-Y1410 HydrophobicContact CG2-CE1 4.49Å; I1408-Y1410 HydrophobicContact CG2-CE2 3.51Å; I1408-I1528 HydrophobicContact CG2-CG2 3.73Å; I1408-L1530 HydrophobicContact CB-CD2 4.4Å; I1408-L1530 HydrophobicContact CD1-CD2 4.02Å; I1408-L1530 HydrophobicContact CG1-CD2 3.8Å; I1408-L1530 HydrophobicContact CG2-CD2 4.01Å
1409T60.3Low55.8Low21 Ų2160.6 Ų60.613%0.12930%0.3CS..EExtended strand (participates in β ladder)trans-129.7146.6176.445.30000109.3K1407 I1528 T1529 Y1810K1407-T1409 HydrophobicContact CD-CG2 4.04Å; K1407-T1409 HydrophobicContact CG-CG2 4.28Å; T1409-I1528 CarbonylContact O-C 3.4Å; T1409-I1528 WeakPolarHBondContact O-CA 3.1Å; T1409-T1529 PolarHBondContact N-O 3.46Å; T1409-T1529 PolarHBondContact O-N 3.31Å; T1409-T1529 WeakPolarHBondContact OG1-CB 3.48Å; T1409-T1529 PolarHBondContact OG1-O 2.91Å; T1409-Y1810 VanDerWaalsContact CA-OH 3.29Å; T1409-Y1810 WeakPolarHBondContact CA-OH 3.21Å; T1409-Y1810 WeakPolarHBondContact CB-OH 3.39Å; T1409-Y1810 VanDerWaalsContact CG2-OH 3.26Å; T1409-Y1810 WeakPolarHBondContact CG2-OH 3.21Å
1410Y59.7Low54.3Low38 Ų3865.4 Ų65.415%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-128.2136.5-175-57.8-105000109I1408 L1527 I1528 Y1810I1408-Y1410 HydrophobicContact CB-CE2 4.4Å; I1408-Y1410 HydrophobicContact CG2-CD2 4.16Å; I1408-Y1410 HydrophobicContact CG2-CE1 4.49Å; I1408-Y1410 HydrophobicContact CG2-CE2 3.51Å; Y1410-L1527 CarbonylContact C-O 3.54Å; Y1410-L1527 VanDerWaalsContact CA-O 3.29Å; Y1410-L1527 WeakPolarHBondContact CA-O 3.43Å; Y1410-I1528 HydrophobicContact CD1-CD1 4.14Å; Y1410-I1528 HydrophobicContact CD1-CG1 3.7Å; Y1410-I1528 HydrophobicContact CE1-CD1 3.67Å; Y1410-I1528 HydrophobicContact CE1-CG1 3.76Å; Y1410-I1528 HydrophobicContact CE1-CG2 4.48Å; Y1410-Y1810 AromaticContact CD2-CD1 3.9Å; Y1410-Y1810 HydrophobicContact CD2-CD1 3.9Å; Y1410-Y1810 AromaticContact CD2-CE1 3.81Å; Y1410-Y1810 HydrophobicContact CD2-CE1 3.81Å; Y1410-Y1810 HydrophobicContact CG-CE1 4.31Å; Y1410-Y1810 PolarHBondContact N-OH 3.38Å
1411H49.8Very low52.6Low86 Ų8669.6 Ų69.640%0.39834%0.344SS..EExtended strand (participates in β ladder)trans-126.1135.8179-50.5-88.2000108.9R1526 L1527 T1529H1411-R1526 CarbonylContact O-C 3.51Å; H1411-R1526 VanDerWaalsContact O-CA 3.31Å; H1411-R1526 WeakPolarHBondContact O-CA 3.45Å; H1411-L1527 HydrophobicContact CB-CB 4.3Å; H1411-L1527 PolarHBondContact N-O 3.04Å; H1411-L1527 PolarHBondContact O-N 2.61Å; H1411-T1529 PolarHBondContact CD2-OG1 3.43Å; H1411-T1529 PolarHBondContact NE2-OG1 3.14Å
1412I46.5Very low50.7Low100 Ų10073.9 Ų73.951%0.51337%0.374SS..EExtended strand (participates in β ladder)trans-108.6121178.8-60.9172.9000107.9F1524 R1526I1412-F1524 HydrophobicContact CG2-CB 4.03Å; I1412-F1524 HydrophobicContact CG2-CD1 3.82Å; I1412-F1524 HydrophobicContact CG2-CG 4.32Å; I1412-R1526 HydrophobicContact CG1-CG 4.26Å
1413V45.6Very low48.4Very low46 Ų4680.6 Ų80.628%0.27941%0.41SS..EExtended strand (participates in β ladder)trans-120.5129.7-173-176.40000110.4P1373 I1415 F1524 V1525 L1527P1373-V1413 HydrophobicContact CG-CG1 4.47Å; V1413-I1415 PolarHBondContact O-N 3.15Å; V1413-F1524 CarbonylContact O-C 3.49Å; V1413-F1524 WeakPolarHBondContact O-CA 3.28Å; V1413-V1525 PolarHBondContact N-O 3.21Å; V1413-V1525 PolarHBondContact O-N 2.73Å; V1413-L1527 HydrophobicContact CG2-CD1 4.11Å
1414R40.7Very low46.1Very low126 Ų12687 Ų8748%0.47545%0.449SS..EExtended strand (participates in β ladder)trans-86.194.2-176-171175.9173.8162.65.4111.4D1522 F1524R1414-D1522 HydrophobicContact CG-CB 3.77Å; R1414-D1522 IonicContact CZ-OD1 3.1Å; R1414-D1522 IonicContact CZ-OD2 3.64Å; R1414-D1522 IonicContact NE-OD1 3.86Å; R1414-D1522 PolarHBondContact NE-OD1 3.2Å; R1414-D1522 IonicContact NE-OD2 2.76Å; R1414-D1522 PolarHBondContact NE-OD2 3.4Å; R1414-D1522 VanDerWaalsContact NH2-CG 3.3Å; R1414-D1522 IonicContact NH2-OD1 2.69Å; R1414-D1522 IonicContact NH2-OD2 3.19Å; R1414-D1522 PolarHBondContact NH2-OD2 3.17Å; R1414-F1524 HydrophobicContact CB-CD1 3.82Å; R1414-F1524 HydrophobicContact CB-CE1 3.55Å; R1414-F1524 HydrophobicContact CB-CZ 4.21Å; R1414-F1524 HydrophobicContact CG-CD1 4.16Å; R1414-F1524 HydrophobicContact CG-CE1 3.62Å; R1414-F1524 HydrophobicContact CG-CE2 4.34Å; R1414-F1524 HydrophobicContact CG-CZ 3.73Å
1415I46.5Very low43.6Very low41 Ų4189.2 Ų89.221%0.2146%0.464CS..  trans-68.6156162.8-48.8-175.4000108.1P1373 V1413 D1522 S1523 V1525P1373-I1415 HydrophobicContact CB-CD1 4.06Å; P1373-I1415 HydrophobicContact CB-CG1 3.93Å; P1373-I1415 HydrophobicContact CG-CD1 3.85Å; P1373-I1415 HydrophobicContact CG-CG1 3.97Å; V1413-I1415 PolarHBondContact O-N 3.15Å; I1415-D1522 CarbonylContact O-C 3.57Å; I1415-D1522 WeakPolarHBondContact O-CA 3.48Å; I1415-S1523 CarbonylContact C-O 3.58Å; I1415-S1523 VanDerWaalsContact CA-O 3.26Å; I1415-S1523 WeakPolarHBondContact CA-O 3.27Å; I1415-S1523 WeakPolarHBondContact CB-O 3.06Å; I1415-S1523 PolarHBondContact N-O 3.18Å; I1415-S1523 PolarHBondContact O-N 3.22Å; I1415-V1525 HydrophobicContact CD1-CB 3.89Å; I1415-V1525 HydrophobicContact CD1-CG2 3.42Å; I1415-V1525 VanDerWaalsContact CD1-CG2 3.42Å; I1415-V1525 HydrophobicContact CG1-CB 4.36Å; I1415-V1525 HydrophobicContact CG1-CG2 4.29Å
1416A37.4Very low41.1Very low33 Ų33100.3 Ų100.327%0.27351%0.506SS..  trans-137.1127.5171.200000111.2N1418A1416-N1418 PolarHBondContact O-N 3.27Å
1417G32.1Very low39Very low49 Ų49100.1 Ų100.151%0.50552%0.516SS..  trans-66.1129.4175.600000111.5
1418N30.2Very low37Very low119 Ų119100.2 Ų100.264%0.63653%0.53SS*.  trans-153.964.9159.7-112.7-53.1000110.2A1416A1416-N1418 PolarHBondContact O-N 3.27Å
1419Y27.7Very low34.9Very low227 Ų227103.9 Ų103.989%0.8956%0.557SS**  trans-73.1124166.2-87.1-83.4000110.1
1420Y25.5Very low33.3Very low207 Ų207108.2 Ų108.281%0.81259%0.589SS**  trans-137.5150.2160.2-87.8-75000108.5
1421P26Very low31.7Very low102 Ų102111.4 Ų111.466%0.66262%0.617SS**  -131169-122.430.4-9.2000115
1422S25.3Very low30.5Very low91 Ų91112.7 Ų112.764%0.63664%0.636SS**  trans25.6131.7152.161.60000120.7
1423N25.4Very low29.5Very low141 Ų141112.6 Ų112.675%0.75465%0.649SS**  177.8152.6100.7-90-71.6000107.9
1424V25.7Very low28.7Very low134 Ų134117.1 Ų117.181%0.81268%0.677SS**  -173.713873.9154.80000105
1425S25.2Very low28Very low75 Ų75117.7 Ų117.752%0.52469%0.685SS.*  cis-170.3161.1752.60000115.2
1426R24.7Very low26.9Very low237 Ų237122.2 Ų122.289%0.89471%0.708SS**  trans76143.4148.1-76.6157.5-175.4172.11.2117.8
1427S26.9Very low26.3Very low98 Ų98127.6 Ų127.669%0.68573%0.726SS**  cis-161.6151.74.8400000116
1428S24.7Very low26Very low109 Ų109132.1 Ų132.176%0.76273%0.732SS**  trans65.3144.6152.840.10000120.5
1429S26.6Very low25.7Very low101 Ų101131.2 Ų131.271%0.70672%0.724SS**  cis-172.5151.8-6.644.30000114.8
1430S26.2Very low25.7Very low112 Ų112123.8 Ų123.878%0.78370%0.703SS**  trans62.7152.6154.548.30000121.7
1431S27.5Very low25.7Very low106 Ų106123.5 Ų123.574%0.74170%0.7SS**  cis-171.8124-20.253.10000115.6
1432S24.4Very low25.7Very low113 Ų113126.8 Ų126.879%0.7970%0.704SS**  trans34.1117.6146.463.40000127.5
1433A24.3Very low25.7Very low97 Ų97132 Ų13280%0.80271%0.712SS**  83.2155.4115.600000126.1
1434V30.3Very low25.7Very low141 Ų141130.9 Ų130.986%0.85571%0.705SS**  trans93.6128.7175.4-177.10000115.4
1435H25.2Very low25.7Very low139 Ų139130.6 Ų130.664%0.64470%0.699SS**  cis105.8133.35.6-170.1108.2000116.5K1437H1435-K1437 PolarHBondContact NE2-NZ 3.41Å
1436L24.2Very low25.7Very low135 Ų135132 Ų13271%0.70770%0.704SS**  cis180170.1-19.2-170.262.8000109.1
1437K24.2Very low25.8Very low146 Ų146129.7 Ų129.764%0.63570%0.701SS**  trans100.5147.1164.3-57.6178.2-173.4800116.2H1435H1435-K1437 PolarHBondContact NE2-NZ 3.41Å
1438K25.6Very low25.7Very low145 Ų145131.5 Ų131.563%0.6370%0.702SS**  cis-175.3156-1.6-116-178.2170-172.70116
1439M24.5Very low25.6Very low99 Ų99134 Ų13449%0.48871%0.706SS.*  trans75.4145.7141.2-69.9-173.6148.900122.9V1323V1323-M1439 VanDerWaalsContact CG1-CA 3.47Å
1440T26.7Very low25.5Very low71 Ų71139.9 Ų139.944%0.43671%0.712SS.*  cis-176148.4-11.930.60000116.9
1441R26.6Very low25.4Very low201 Ų201143.7 Ų143.776%0.75872%0.718SS**  trans67.6132132.3-72.9165.6168.3176-5.9125.3
1442K25Very low25.2Very low172 Ų172144.2 Ų144.275%0.74872%0.721SS**  171.3147.5106.1-92.3175.6-177.1175.90108.7
1443Y25.5Very low25.1Very low201 Ų201148.6 Ų148.679%0.78873%0.726SS**  cis-120.9150.215.8-88.1-115.5000110.3
1444L26.2Very low25.3Very low117 Ų117153.4 Ų153.461%0.61373%0.732SS**  67.4131.560-56.8168.8000113.9
1445N26Very low25Very low127 Ų127153.8 Ų153.868%0.67973%0.729SS**  cis-165.3128.6-2-129.210.8000115.6
1446T25.2Very low24.9Very low106 Ų106153.7 Ų153.765%0.6573%0.732SS**  trans19137.7135.7670000124
1447K25.4Very low24.9Very low188 Ų188154.3 Ų154.382%0.81774%0.736SS**  164.9144.4118.3-96.6179.1178.7-177.40112.1
1448L25.8Very low24.9Very low135 Ų135155 Ų15571%0.70775%0.745SS**  cis-153.2131.7-0.7-164.2153.8000110.6R1450L1448-R1450 HydrophobicContact CD2-CB 3.86Å
1449L23.2Very low24.8Very low161 Ų161157 Ų15784%0.84375%0.754SS**  trans-127.8120.6168.5-176.7167.9000107.3
1450R23.7Very low24.8Very low225 Ų225160.5 Ų160.585%0.84978%0.775SS**  trans-165.361.5179.3-128.5177.1-157.5-1573.4118.4L1448L1448-R1450 HydrophobicContact CD2-CB 3.86Å
1451Q23.9Very low24.8Very low193 Ų193164.3 Ų164.390%0.90279%0.792SS**  trans-176.4140.9149.8-103.2158.6-8.600105.9
1452S24.1Very low24.7Very low116 Ų116164 Ų16481%0.81180%0.796SS**  cis-126.1151.72.7550000112
1453K22.7Very low24.7Very low205 Ų205162 Ų16289%0.89179%0.792SS**  trans-127.2117157.3-98-160177.5-165.90106.8
1454Q27Very low24.5Very low198 Ų198157.8 Ų157.893%0.92579%0.793SS**  trans-153.7126.6148.7-119.8168.3-0.900109.6
1455L24.1Very low24.3Very low150 Ų150161.1 Ų161.179%0.78580%0.799SS**  trans-95.1155.2-180-84.2153.5000110.3
1456I23.9Very low24.2Very low137 Ų137162.3 Ų162.370%0.70380%0.8SS**  trans5.3128.9143.9-55.4167.1000115.4L1458I1456-L1458 HydrophobicContact CG2-CG 4.42Å
1457N24.1Very low24.2Very low148 Ų148165.8 Ų165.879%0.79181%0.806SS**  trans-136.581.8155.3-154.23.4000111.5K1459N1457-K1459 PolarHBondContact O-N 3.05Å
1458L23.2Very low24.1Very low160 Ų160162.7 Ų162.784%0.83879%0.794SS**  trans-74.7103.4165.5-84.8168.9000109.1I1456I1456-L1458 HydrophobicContact CG2-CG 4.42Å
1459K23.5Very low24Very low186 Ų186159.8 Ų159.881%0.80978%0.784SS**  trans-163.781.9166.5-114157.7-170169.50113.2N1457N1457-K1459 PolarHBondContact O-N 3.05Å
1460D25.9Very low24Very low173 Ų173160.9 Ų160.993%0.92578%0.782SS**  trans-14199.2139-111.3-34.5000109.7
1461L25.7Very low24.2Very low151 Ų151153.8 Ų153.879%0.79177%0.772SS**  trans-150.689.9-180-132.1-179.4000109.8
1462K24.2Very low24.3Very low195 Ų195150.7 Ų150.785%0.84877%0.766SS**  trans-133.1118.6156.9-77.1-173.7174.2-177.40107.3
1463L24.8Very low24.3Very low129 Ų129151.6 Ų151.668%0.67576%0.762SS**  67.611060.1-70.7159.2000113.3
1464S21.9Very low24.5Very low114 Ų114148.3 Ų148.380%0.79775%0.753SS**  -176.1106114.252.40000114.7
1465Y22.2Very low24.5Very low187 Ų187145 Ų14573%0.73375%0.746SS**  53.5149.7114.7-91.1-78.6000125.9
1466H23.4Very low24.4Very low152 Ų152142.6 Ų142.670%0.70474%0.742SS**  trans74.1129.3151.9-71.2-53.3000119.1
1467K25.2Very low24.5Very low179 Ų179142.9 Ų142.978%0.77875%0.751SS**  -137.3131.864-88.2-170.2170.7-178.20113.6
1468E22.8Very low24.5Very low122 Ų122140.6 Ų140.657%0.5775%0.746SS**  79.8144.784.9-72.7-166.910700113.5
1469C24.8Very low24.6Very low74 Ų74137.8 Ų137.850%0.574%0.74SS.*  cis-160.4141.910.9-132.20000114.4
1470K23Very low24.6Very low184 Ų184133.5 Ų133.580%0.873%0.733SS**  trans61.4160.6145.1-64.1161.8-173.1138.90117.9
1471A27.8Very low24.6Very low76 Ų76129.7 Ų129.763%0.62872%0.72SS**  cis-151.9150.211.900000113.9
1472T27.1Very low24.7Very low129 Ų129128.3 Ų128.379%0.79172%0.718SS**  trans49.2156.2136.355.40000124.2
1473N23.2Very low24.8Very low135 Ų135124.5 Ų124.572%0.72271%0.712SS**  cis-177.1166.9-35.8-139.8-5000110.4
1474I25.7Very low25Very low135 Ų135124.2 Ų124.269%0.69272%0.715SS**  trans79.7135.8143.9-77.4162.8000122.5
1475T27Very low25.4Very low128 Ų128123.9 Ų123.979%0.78571%0.709SS**  trans63.6118.8161.743.60000124.7
1476S22.7Very low25.8Very low101 Ų101121.2 Ų121.271%0.70671%0.712SS**  trans-50.9153.614752.20000117.2
1477T26.8Very low26Very low143 Ų143119.7 Ų119.788%0.87771%0.713SS**  -161.6165.1112.720.10000112.1
1478S23.8Very low26.1Very low99 Ų99115.3 Ų115.369%0.69271%0.71SS**  trans-89.3164.4-169.654.10000115.7
1479S24.1Very low26.4Very low102 Ų102115.7 Ų115.771%0.71372%0.721SS**  trans62.8148140.456.20000121.3
1480S24.8Very low26.4Very low95 Ų95116.2 Ų116.266%0.66473%0.731SS**  cis-176.5162-1953.20000111.9
1481S25.3Very low26.6Very low94 Ų94113.2 Ų113.266%0.65773%0.728SS**  trans69.6176.1137.567.60000121.9
1482T27.2Very low26.6Very low121 Ų121114.5 Ų114.574%0.74273%0.732SS**  trans84135.7172.372.70000116.4
1483T27.5Very low26.4Very low116 Ų116113.1 Ų113.171%0.71273%0.728SS**  cis-154.4165.1-11.99.90000107.7
1484T29.2Very low26.5Very low123 Ų123111.4 Ų111.476%0.75573%0.727SS**  -169.6160.759.946.90000109.9
1485T29.7Very low26.4Very low107 Ų107109.7 Ų109.766%0.65673%0.727SS**  cis-171.1157.7-20.530.10000107.3
1486T29.8Very low26.2Very low130 Ų130109 Ų10980%0.79873%0.726SS**  trans59.9167.8172.140.60000114.9
1487T29.7Very low26.4Very low120 Ų120110.6 Ų110.674%0.73673%0.726SS**  cis-145.9143.9-2.4-7.70000105.1
1488A25.6Very low26.4Very low87 Ų87109.8 Ų109.872%0.71972%0.717SS**  cis71.3128.734.200000113.2
1489T29.2Very low26.6Very low131 Ų131111.9 Ų111.980%0.80472%0.72SS**  cis-127.7149.323.845.40000112.7
1490A24.9Very low26.8Very low84 Ų84112.8 Ų112.869%0.69473%0.725SS**  61.114170.400000113.7
1491T28.7Very low27Very low121 Ų121113.2 Ų113.274%0.74273%0.726SS**  cis-152168.633.953.50000115.7
1492S26.9Very low27.1Very low103 Ų103116.7 Ų116.772%0.7274%0.735SS**  trans63.9154.5143.254.20000122.3
1493S23.5Very low26.9Very low100 Ų100114.7 Ų114.770%0.69973%0.731SS**  cis173.3168.4-42.750.70000109.8
1494S25.6Very low26.8Very low99 Ų99113.9 Ų113.969%0.69273%0.73SS**  trans58.3110.2160.845.60000117.9
1495S23.4Very low26.7Very low100 Ų100113.8 Ų113.870%0.69973%0.729SS**  88.2148.457.872.40000114.8
1496C22.8Very low26.4Very low112 Ų112112.6 Ų112.676%0.75773%0.726SS**  trans60.2151.5-179.824.60000115.7
1497N25.2Very low26.2Very low135 Ų135114.8 Ų114.872%0.72272%0.724SS**  cis-156.3168.16.5-129.12.4000111.3
1498N27.9Very low26Very low127 Ų127111.8 Ų111.868%0.67972%0.717SS**  trans67.7136.5163.4-51.4-12.8000116.3
1499N27.5Very low25.9Very low142 Ų142117.6 Ų117.676%0.75972%0.722SS**  cis-150.8129.7-7.8-90.4-22.4000108.9
1500C29.3Very low25.6Very low122 Ų122114.5 Ų114.582%0.82472%0.716SS**  trans-78.4161.4138.7-530000107
1501P28.5Very low25.6Very low104 Ų104117.8 Ų117.868%0.67572%0.722SS**  -156-178.286.943.9-26.3000115.4
1502I26.3Very low25.4Very low166 Ų166116.2 Ų116.285%0.85172%0.721SS**  trans71.9131.8161.3-63.2162.3000116.1
1503A24.7Very low25.2Very low79 Ų79116.1 Ų116.165%0.65372%0.721SS**  cis-162.8160.8-23.200000111.3
1504S24.1Very low25.2Very low99 Ų99117.3 Ų117.369%0.69272%0.724SS**  trans-9.7148.8147.265.30000118.3
1505T27Very low25Very low121 Ų121117 Ų11774%0.74272%0.722SS**  cis-157.8129.944.539.60000110.2
1506S24.3Very low25Very low83 Ų83120.2 Ų120.258%0.5873%0.73SS**  cis91134.446.575.80000115.5
1507F24.5Very low24.9Very low175 Ų175119.3 Ų119.377%0.76873%0.725SS**  trans77.5127.8174.2-56.3-77.5000117.1Y1509F1507-Y1509 AromaticContact CD1-CD2 3.95Å; F1507-Y1509 HydrophobicContact CD1-CD2 3.95Å; F1507-Y1509 AromaticContact CD1-CE2 3.88Å; F1507-Y1509 HydrophobicContact CD1-CE2 3.88Å; F1507-Y1509 HydrophobicContact CE1-CD2 4.44Å; F1507-Y1509 AromaticContact CE1-CE2 3.94Å; F1507-Y1509 HydrophobicContact CE1-CE2 3.94Å
1508G25.8Very low24.9Very low57 Ų57117.5 Ų117.559%0.58872%0.723SS**  cis-157.9146.8-0.800000112.7
1509Y23.8Very low24.8Very low210 Ų210119.5 Ų119.582%0.82473%0.734SS**  64.1114.493.6-77.4-75.6000114.4F1507F1507-Y1509 AromaticContact CD1-CD2 3.95Å; F1507-Y1509 HydrophobicContact CD1-CD2 3.95Å; F1507-Y1509 AromaticContact CD1-CE2 3.88Å; F1507-Y1509 HydrophobicContact CD1-CE2 3.88Å; F1507-Y1509 HydrophobicContact CE1-CD2 4.44Å; F1507-Y1509 AromaticContact CE1-CE2 3.94Å; F1507-Y1509 HydrophobicContact CE1-CE2 3.94Å
1510G24Very low24.8Very low66 Ų66120.3 Ų120.368%0.6874%0.738SS**  cis154166.5-11.600000115.9
1511N23.8Very low24.8Very low152 Ų152117.3 Ų117.381%0.81373%0.728SS**  trans65.4104.8148.5-64.47.1000121.5
1512A24.8Very low25Very low88 Ų88114.4 Ų114.473%0.72771%0.707SS**  89.3120.2106.800000121.3
1513S22.9Very low25.6Very low101 Ų101109.6 Ų109.671%0.70669%0.688SS**  trans41.9129135.763.90000121.6
1514T22.5Very low26.7Very low125 Ų125111.8 Ų111.877%0.76768%0.683SS**  -174.8124.79222.50000113.6
1515S22.7Very low27.9Very low94 Ų94108.6 Ų108.666%0.65766%0.659SS**  trans41.2147.4138.566.80000123.5
1516L22.1Very low29.1Very low166 Ų166107.1 Ų107.187%0.86964%0.64SS**  trans78.3134.4160.9-62.1149.8000115.7
1517S22.2Very low30.8Very low93 Ų93105.1 Ų105.165%0.6562%0.622SS**  cis-159.6158.9-4.555.80000112.2
1518S23.7Very low32.6Very low97 Ų9796.8 Ų96.868%0.67859%0.586SS**  trans46.7108.5145.662.50000119.5
1519D26.7Very low34.9Very low170 Ų17094.7 Ų94.791%0.90956%0.562SS**  trans-134.7146.6137.5-90.3-45.6000107.2
1520D27.3Very low37.2Very low159 Ų15984.7 Ų84.785%0.8552%0.522SS*.  trans-78.1130.1-168-65.9-62.4000113.2
1521G29Very low39.7Very low59 Ų5983.3 Ų83.361%0.60850%0.498SS*.  trans-124.5112.217600000112.6
1522D33.1Very low42.2Very low43 Ų4376 Ų7623%0.2346%0.459CS..PPolyproline II helixtrans-78.2116.9165.2-66.8-105.6000109.8R808 R1414 I1415 F1524R808-D1522 IonicContact CZ-OD1 3.3Å; R808-D1522 IonicContact NE-OD1 3.99Å; R808-D1522 IonicContact NH2-OD1 3.45Å; R808-D1522 PolarHBondContact NH2-OD1 3.21Å; R1414-D1522 HydrophobicContact CG-CB 3.77Å; R1414-D1522 IonicContact CZ-OD1 3.1Å; R1414-D1522 IonicContact CZ-OD2 3.64Å; R1414-D1522 IonicContact NE-OD1 3.86Å; R1414-D1522 PolarHBondContact NE-OD1 3.2Å; R1414-D1522 IonicContact NE-OD2 2.76Å; R1414-D1522 PolarHBondContact NE-OD2 3.4Å; R1414-D1522 VanDerWaalsContact NH2-CG 3.3Å; R1414-D1522 IonicContact NH2-OD1 2.69Å; R1414-D1522 IonicContact NH2-OD2 3.19Å; R1414-D1522 PolarHBondContact NH2-OD2 3.17Å; I1415-D1522 CarbonylContact O-C 3.57Å; I1415-D1522 WeakPolarHBondContact O-CA 3.48Å; D1522-F1524 HydrophobicContact CB-CE2 4.29Å; D1522-F1524 WeakPolarHBondContact O-CD2 3.26Å
1523S39.6Very low44.7Very low64 Ų6473.9 Ų73.945%0.44843%0.434SS..PPolyproline II helixtrans-83.3131.9173.8420000110.5I1415I1415-S1523 CarbonylContact C-O 3.58Å; I1415-S1523 VanDerWaalsContact CA-O 3.26Å; I1415-S1523 WeakPolarHBondContact CA-O 3.27Å; I1415-S1523 WeakPolarHBondContact CB-O 3.06Å; I1415-S1523 PolarHBondContact N-O 3.18Å; I1415-S1523 PolarHBondContact O-N 3.22Å
1524F46.5Very low47Very low125 Ų12569.4 Ų69.455%0.54840%0.402SS..EExtended strand (participates in β ladder)trans-102.5127.2178-66.4-100.6000110.2I1412 V1413 R1414 D1522I1412-F1524 HydrophobicContact CG2-CB 4.03Å; I1412-F1524 HydrophobicContact CG2-CD1 3.82Å; I1412-F1524 HydrophobicContact CG2-CG 4.32Å; V1413-F1524 CarbonylContact O-C 3.49Å; V1413-F1524 WeakPolarHBondContact O-CA 3.28Å; R1414-F1524 HydrophobicContact CB-CD1 3.82Å; R1414-F1524 HydrophobicContact CB-CE1 3.55Å; R1414-F1524 HydrophobicContact CB-CZ 4.21Å; R1414-F1524 HydrophobicContact CG-CD1 4.16Å; R1414-F1524 HydrophobicContact CG-CE1 3.62Å; R1414-F1524 HydrophobicContact CG-CE2 4.34Å; R1414-F1524 HydrophobicContact CG-CZ 3.73Å; D1522-F1524 HydrophobicContact CB-CE2 4.29Å; D1522-F1524 WeakPolarHBondContact O-CD2 3.26Å
1525V50.3Low49.3Very low32 Ų3265.1 Ų65.119%0.19437%0.374CS..EExtended strand (participates in β ladder)trans-105.5136.6171.6160.50000109.3P1373 V1413 I1415 H1573P1373-V1525 HydrophobicContact CG-CB 4.43Å; P1373-V1525 HydrophobicContact CG-CG1 4.36Å; V1413-V1525 PolarHBondContact N-O 3.21Å; V1413-V1525 PolarHBondContact O-N 2.73Å; I1415-V1525 HydrophobicContact CD1-CB 3.89Å; I1415-V1525 HydrophobicContact CD1-CG2 3.42Å; I1415-V1525 VanDerWaalsContact CD1-CG2 3.42Å; I1415-V1525 HydrophobicContact CG1-CB 4.36Å; I1415-V1525 HydrophobicContact CG1-CG2 4.29Å; V1525-H1573 HydrophobicContact CG1-CB 4.38Å; V1525-H1573 WeakPolarHBondContact CG1-ND1 3.02Å
1526R51.3Low50.9Low90 Ų9066.4 Ų66.434%0.3437%0.369SS..EExtended strand (participates in β ladder)trans-96.8135.2177-160.9-163-146.2175.94.4109.5H1411 I1412 H1573 D1574H1411-R1526 CarbonylContact O-C 3.51Å; H1411-R1526 VanDerWaalsContact O-CA 3.31Å; H1411-R1526 WeakPolarHBondContact O-CA 3.45Å; I1412-R1526 HydrophobicContact CG1-CG 4.26Å; R1526-H1573 CarbonylContact O-C 3.56Å; R1526-H1573 WeakPolarHBondContact O-CA 3.48Å; R1526-D1574 HydrophobicContact CB-CB 3.84Å; R1526-D1574 WeakPolarHBondContact CD-OD2 3.13Å; R1526-D1574 HydrophobicContact CG-CB 4.24Å; R1526-D1574 IonicContact CZ-OD2 3.62Å; R1526-D1574 IonicContact NE-OD2 3.94Å; R1526-D1574 IonicContact NH1-OD2 2.84Å; R1526-D1574 PolarHBondContact NH1-OD2 3.18Å; R1526-D1574 PolarHBondContact O-N 2.89Å
1527L59.3Low52.4Low41 Ų4165.8 Ų65.822%0.21537%0.367CS..EExtended strand (participates in β ladder)trans-110.1131172.1-81.6161000108.7Y1410 H1411 V1413 Y1572 H1573Y1410-L1527 CarbonylContact C-O 3.54Å; Y1410-L1527 VanDerWaalsContact CA-O 3.29Å; Y1410-L1527 WeakPolarHBondContact CA-O 3.43Å; H1411-L1527 HydrophobicContact CB-CB 4.3Å; H1411-L1527 PolarHBondContact N-O 3.04Å; H1411-L1527 PolarHBondContact O-N 2.61Å; V1413-L1527 HydrophobicContact CG2-CD1 4.11Å; L1527-Y1572 CarbonylContact C-O 3.5Å; L1527-Y1572 WeakPolarHBondContact CA-O 3.3Å; L1527-H1573 WeakPolarHBondContact CD2-ND1 2.93Å
1528I64.3Low54Low1 Ų162.8 Ų62.81%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-98136.9169.1-55-174.1000108.1I1408 T1409 Y1410 L1530 T1571 Y1572 D1574I1408-I1528 HydrophobicContact CG2-CG2 3.73Å; T1409-I1528 CarbonylContact O-C 3.4Å; T1409-I1528 WeakPolarHBondContact O-CA 3.1Å; Y1410-I1528 HydrophobicContact CD1-CD1 4.14Å; Y1410-I1528 HydrophobicContact CD1-CG1 3.7Å; Y1410-I1528 HydrophobicContact CE1-CD1 3.67Å; Y1410-I1528 HydrophobicContact CE1-CG1 3.76Å; Y1410-I1528 HydrophobicContact CE1-CG2 4.48Å; I1528-L1530 HydrophobicContact CG2-CD2 3.73Å; I1528-T1571 CarbonylContact O-C 3.29Å; I1528-T1571 VanDerWaalsContact O-CA 3.24Å; I1528-T1571 WeakPolarHBondContact O-CA 3.07Å; I1528-Y1572 HydrophobicContact CB-CD1 4.02Å; I1528-Y1572 HydrophobicContact CB-CD2 4.45Å; I1528-Y1572 HydrophobicContact CB-CE1 3.64Å; I1528-Y1572 HydrophobicContact CB-CE2 4.11Å; I1528-Y1572 HydrophobicContact CB-CG 4.41Å; I1528-Y1572 HydrophobicContact CD1-CE2 3.93Å; I1528-Y1572 WeakPolarHBondContact CD1-OH 3.31Å; I1528-Y1572 HydrophobicContact CG1-CE2 4.35Å; I1528-Y1572 HydrophobicContact CG2-CD1 4.27Å; I1528-Y1572 HydrophobicContact CG2-CE1 3.54Å; I1528-Y1572 PolarHBondContact N-O 3.47Å; I1528-Y1572 PolarHBondContact O-N 2.76Å; I1528-D1574 HydrophobicContact CD1-CB 4.07Å; I1528-D1574 WeakPolarHBondContact CD1-OD1 3.27Å; I1528-D1574 HydrophobicContact CG1-CB 4.1Å
1529T72.2Confident54.9Low12 Ų1262.9 Ų62.97%0.07434%0.341CS..EExtended strand (participates in β ladder)trans-126.9104175.9-53.50000108.7T1409 H1411 H1569 V1570 T1571T1409-T1529 PolarHBondContact N-O 3.46Å; T1409-T1529 PolarHBondContact O-N 3.31Å; T1409-T1529 WeakPolarHBondContact OG1-CB 3.48Å; T1409-T1529 PolarHBondContact OG1-O 2.91Å; H1411-T1529 PolarHBondContact CD2-OG1 3.43Å; H1411-T1529 PolarHBondContact NE2-OG1 3.14Å; T1529-H1569 HydrophobicContact CG2-CB 3.74Å; T1529-V1570 VanDerWaalsContact CA-O 3.23Å; T1529-V1570 WeakPolarHBondContact CA-O 3.02Å; T1529-T1571 HydrophobicContact CG2-CG2 3.95Å
1530L73.1Confident55.8Low0 Ų058 Ų580%031%0.31CS..EExtended strand (participates in β ladder)trans-86143.9177.1-39170.5000111P1346 K1407 I1408 I1528 L1532 H1569 V1570 Y1572 I1582P1346-L1530 HydrophobicContact CB-CD1 3.99Å; P1346-L1530 HydrophobicContact CB-CD2 4.16Å; P1346-L1530 HydrophobicContact CG-CD1 3.68Å; P1346-L1530 HydrophobicContact CG-CD2 3.54Å; P1346-L1530 HydrophobicContact CG-CG 4.24Å; K1407-L1530 CarbonylContact O-C 3.43Å; K1407-L1530 WeakPolarHBondContact O-CA 2.69Å; I1408-L1530 HydrophobicContact CB-CD2 4.4Å; I1408-L1530 HydrophobicContact CD1-CD2 4.02Å; I1408-L1530 HydrophobicContact CG1-CD2 3.8Å; I1408-L1530 HydrophobicContact CG2-CD2 4.01Å; I1528-L1530 HydrophobicContact CG2-CD2 3.73Å; L1530-L1532 HydrophobicContact CB-CG 4.48Å; L1530-H1569 CarbonylContact O-C 3.56Å; L1530-H1569 WeakPolarHBondContact O-CA 3.29Å; L1530-V1570 HydrophobicContact CB-CB 3.78Å; L1530-V1570 HydrophobicContact CB-CG2 3.99Å; L1530-V1570 HydrophobicContact CD1-CB 4.04Å; L1530-V1570 HydrophobicContact CD1-CG1 4.1Å; L1530-V1570 HydrophobicContact CD1-CG2 4.37Å; L1530-V1570 HydrophobicContact CG-CB 3.92Å; L1530-V1570 HydrophobicContact CG-CG1 4.38Å; L1530-V1570 HydrophobicContact CG-CG2 4.5Å; L1530-V1570 PolarHBondContact N-O 3.07Å; L1530-V1570 VanDerWaalsContact N-O 3.1Å; L1530-V1570 PolarHBondContact O-N 3.31Å; L1530-Y1572 HydrophobicContact CD1-CE1 3.96Å; L1530-Y1572 HydrophobicContact CD2-CE1 3.93Å; L1530-Y1572 HydrophobicContact CG-CD1 4.45Å; L1530-Y1572 HydrophobicContact CG-CE1 3.8Å; L1530-I1582 HydrophobicContact CD1-CD1 3.55Å
1531E77.4Confident56.5Low37 Ų3755.3 Ų55.317%0.17329%0.288CS..EExtended strand (participates in β ladder)trans-98.3104.8171.2-161.6162.6162.700108.2V1405 Q1406 K1407 I1567 H1569V1405-E1531 CarbonylContact C-O 3.59Å; V1405-E1531 WeakPolarHBondContact CA-O 3.39Å; Q1406-E1531 HydrophobicContact CB-CB 4.03Å; Q1406-E1531 HydrophobicContact CB-CG 4.09Å; Q1406-E1531 WeakPolarHBondContact CB-O 3.47Å; Q1406-E1531 PolarHBondContact N-O 2.95Å; K1407-E1531 HydrophobicContact CB-CB 3.63Å; K1407-E1531 HydrophobicContact CB-CG 4.44Å; K1407-E1531 WeakPolarHBondContact CB-OE2 3.39Å; K1407-E1531 WeakPolarHBondContact CD-OE2 3.34Å; K1407-E1531 PolarHBondContact O-N 3.36Å; E1531-I1567 HydrophobicContact CG-CG2 3.4Å; E1531-I1567 VanDerWaalsContact CG-CG2 3.4Å; E1531-H1569 IonicContact OE1-CE1 3.93Å; E1531-H1569 IonicContact OE2-CE1 2.74Å
1532L74.7Confident56.8Low0 Ų058.6 Ų58.60%029%0.292CS..EExtended strand (participates in β ladder)trans-104.5130.1-175-77.7-168000112.7V1352 C1403 S1404 V1405 L1530 I1567 I1568 V1570V1352-L1532 HydrophobicContact CG2-CD1 3.92Å; V1352-L1532 HydrophobicContact CG2-CD2 3.67Å; V1352-L1532 HydrophobicContact CG2-CG 4.48Å; C1403-L1532 HydrophobicContact CB-CB 3.88Å; C1403-L1532 HydrophobicContact CB-CD1 4.14Å; C1403-L1532 HydrophobicContact CB-CD2 4.16Å; C1403-L1532 HydrophobicContact CB-CG 4.29Å; S1404-L1532 WeakPolarHBondContact O-CA 3.05Å; V1405-L1532 HydrophobicContact CB-CD2 4.22Å; V1405-L1532 HydrophobicContact CG2-CD2 3.55Å; L1530-L1532 HydrophobicContact CB-CG 4.48Å; L1532-I1567 VanDerWaalsContact O-CA 3.27Å; L1532-I1567 WeakPolarHBondContact O-CA 3.25Å; L1532-I1568 PolarHBondContact N-O 2.81Å; L1532-I1568 PolarHBondContact O-N 2.96Å; L1532-V1570 HydrophobicContact CB-CG2 4.15Å; L1532-V1570 HydrophobicContact CD1-CG2 3.53Å; L1532-V1570 HydrophobicContact CG-CG2 3.58Å
1533Q79Confident56.8Low42 Ų4262 Ų6220%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-116.6115.7-179174.8-170.9-2.700112.9C1403 S1404 Q1406 N1566C1403-Q1533 CarbonylContact C-O 3.58Å; C1403-Q1533 VanDerWaalsContact C-O 3.29Å; C1403-Q1533 WeakPolarHBondContact CA-O 3.05Å; S1404-Q1533 PolarHBondContact N-O 3Å; S1404-Q1533 PolarHBondContact O-N 3.39Å; S1404-Q1533 PolarHBondContact OG-O 3.26Å; Q1406-Q1533 HydrophobicContact CG-CB 4.15Å; Q1533-N1566 WeakPolarHBondContact CA-O 3.42Å; Q1533-N1566 HydrophobicContact CB-CB 4.43Å; Q1533-N1566 VanDerWaalsContact CB-O 3.27Å; Q1533-N1566 WeakPolarHBondContact CB-O 3.44Å; Q1533-N1566 HydrophobicContact CG-CB 3.69Å; Q1533-N1566 WeakPolarHBondContact CG-O 3.48Å
1534I69.9Low56.3Low7 Ų760.8 Ų60.84%0.03630%0.299CS..EExtended strand (participates in β ladder)trans-64.6141.5178.5-71.4178.4000114R1288 L1289 L1401 C1402 C1403 Q1538 N1566R1288-I1534 HydrophobicContact CB-CB 4.4Å; R1288-I1534 HydrophobicContact CB-CD1 3.92Å; R1288-I1534 HydrophobicContact CB-CG2 4.48Å; R1288-I1534 HydrophobicContact CG-CD1 3.98Å; R1288-I1534 WeakPolarHBondContact O-CB 3.11Å; R1288-I1534 WeakPolarHBondContact O-CD1 3.09Å; R1288-I1534 WeakPolarHBondContact O-CG1 3.14Å; L1289-I1534 HydrophobicContact CB-CD1 4.38Å; L1401-I1534 HydrophobicContact CB-CD1 3.52Å; L1401-I1534 HydrophobicContact CB-CG1 4.46Å; L1401-I1534 HydrophobicContact CD1-CD1 3.7Å; L1401-I1534 HydrophobicContact CD2-CD1 4.17Å; L1401-I1534 HydrophobicContact CG-CD1 3.98Å; C1402-I1534 CarbonylContact O-C 3.52Å; C1402-I1534 VanDerWaalsContact O-CA 3.23Å; C1402-I1534 WeakPolarHBondContact O-CA 3.48Å; C1402-I1534 WeakPolarHBondContact O-CG2 3.12Å; C1403-I1534 HydrophobicContact CB-CG1 4.3Å; C1403-I1534 WeakPolarHBondContact SG-CG1 3.46Å; I1534-Q1538 HydrophobicContact CG2-CG 4.39Å; I1534-N1566 VanDerWaalsContact O-CG 3.32Å; I1534-N1566 PolarHBondContact O-ND2 2.72Å; I1534-N1566 VanDerWaalsContact O-ND2 3.16Å
1535E70.2Confident55.5Low36 Ų3658 Ų5817%0.16830%0.295CS..  trans-69.9129.5168.8-60.9-171.7143.400111.4R1351 C1402 N1537 R1585R1351-E1535 WeakPolarHBondContact CD-OE1 3.34Å; R1351-E1535 IonicContact CZ-OE1 3.46Å; R1351-E1535 IonicContact NE-OE1 3.84Å; R1351-E1535 IonicContact NH1-OE1 3.85Å; R1351-E1535 PolarHBondContact NH1-OE1 3.27Å; C1402-E1535 PolarHBondContact O-N 3.47Å; E1535-N1537 PolarHBondContact O-N 3.32Å; E1535-R1585 IonicContact OE2-CZ 3.82Å; E1535-R1585 IonicContact OE2-NE 2.85Å; E1535-R1585 PolarHBondContact OE2-NE 2.81Å; E1535-R1585 IonicContact OE2-NH2 3.29Å; E1535-R1585 PolarHBondContact OE2-NH2 3.05Å
1536E56.8Low54.3Low121 Ų12160 Ų6057%0.56532%0.321SS*.SBendtrans-69.1-7.5-165.1-55-175.614100115.2Q1538E1536-Q1538 PolarHBondContact O-N 3.44Å
1537N54.1Low53.2Low152 Ų15260 Ų6081%0.81332%0.324SS*.  trans-9847.8-170.5-63-28.7000113.9E1535E1535-N1537 PolarHBondContact O-N 3.32Å
1538Q55.9Low51.6Low30 Ų3063.6 Ų63.614%0.1435%0.347CS..  trans-113.1138.5-177.8-61.4-139.1-2600114.2C1402 I1534 E1536C1402-Q1538 VanDerWaalsContact N-NE2 3.18Å; C1402-Q1538 PolarHBondContact SG-NE2 2.8Å; I1534-Q1538 HydrophobicContact CG2-CG 4.39Å; E1536-Q1538 PolarHBondContact O-N 3.44Å
1539P41.6Very low49.8Very low100 Ų10069.4 Ų69.465%0.64938%0.378SS*.SBendtrans-78.3-32.1-171.429.8-34.8000114.6R1541P1539-R1541 PolarHBondContact O-N 3.09Å
1540Y45.5Very low47.6Very low67 Ų6774.6 Ų74.626%0.26341%0.41SS..THydrogen-bonded Turntrans-78.934.1-168.7-42.7-68.6000114.9R1288 F1400 L1646R1288-Y1540 PolarHBondContact NH1-O 3.32Å; F1400-Y1540 HydrophobicContact CE2-CE2 4.04Å; F1400-Y1540 AromaticContact CZ-CE2 3.66Å; F1400-Y1540 HydrophobicContact CZ-CE2 3.66Å; Y1540-L1646 HydrophobicContact CD1-CD1 4.38Å; Y1540-L1646 HydrophobicContact CE1-CD1 3.82Å; Y1540-L1646 HydrophobicContact CE1-CG 4.45Å
1541R41.9Very low45.3Very low102 Ų10282.9 Ų82.939%0.38545%0.449SS..THydrogen-bonded Turntrans-93.1-15-169.2-171.5163.3173.31560.1115S1287 P1539 Q1562S1287-R1541 PolarHBondContact OG-NH1 3.19Å; S1287-R1541 PolarHBondContact OG-NH2 3Å; P1539-R1541 PolarHBondContact O-N 3.09Å; R1541-Q1562 PolarHBondContact O-NE2 3.33Å
1542N36.6Very low43.8Very low128 Ų12889.5 Ų89.568%0.68449%0.485SS*.SBendtrans-125.78.4-166.8-64.7-22.6000115.4
1543L33.5Very low41.2Very low115 Ų11593.2 Ų93.260%0.60251%0.511SS*.  trans-93.8122.3175.4-78.8167.4000110.9
1544V27.9Very low38.5Very low39 Ų3999.6 Ų99.624%0.23654%0.538CS..  trans-159.3148.5161.3-144.80000110.8K1560V1544-K1560 HydrophobicContact CB-CB 4.19Å; V1544-K1560 HydrophobicContact CB-CG 3.69Å; V1544-K1560 HydrophobicContact CG2-CB 4.25Å; V1544-K1560 HydrophobicContact CG2-CG 4.07Å; V1544-K1560 WeakPolarHBondContact O-CE 3.49Å; V1544-K1560 WeakPolarHBondContact O-CG 3.5Å
1545C30Very low36.4Very low66 Ų66107.2 Ų107.245%0.44657%0.574SS.*  trans53.3143.9162.3-62.70000123.1E1559 K1560C1545-E1559 HydrophobicContact CB-CB 4.35Å; C1545-K1560 HydrophobicContact CB-CG 4.49Å; C1545-K1560 PolarHBondContact SG-N 2.91Å
1546G24.6Very low34.2Very low73 Ų73109.5 Ų109.575%0.75359%0.593SS**  trans175.140.1165.800000123.4
1547K28.8Very low32.7Very low92 Ų92107.9 Ų107.940%0.459%0.585SS.*  trans10.3156.5156.1-48.6165.456.1-169.90123.7H1557K1547-H1557 HydrophobicContact CD-CB 4.48Å; K1547-H1557 VanDerWaalsContact CD-N 3.33Å; K1547-H1557 PolarHBondContact NZ-CD2 2.73Å; K1547-H1557 PolarHBondContact NZ-ND1 3.37Å; K1547-H1557 PolarHBondContact NZ-NE2 3.11Å
1548V26.7Very low31.3Very low116 Ų116107 Ų10770%0.70357%0.571SS**  178.7137.8116.8141.60000115.8
1549N25.1Very low29.9Very low123 Ų123110 Ų11066%0.65859%0.585SS**  trans18.4160.8152.6-40.5-20.8000122.7
1550T26.6Very low29.1Very low120 Ų120111 Ų11174%0.73658%0.579SS**  cis-148.1162.724.943.10000114.7
1551E24.2Very low28.3Very low174 Ų174112.9 Ų112.981%0.81359%0.59SS**SBendtrans62.664.4155.1-73178.8-159.100120.2
1552D45.4Very low28Very low176 Ų176114 Ų11494%0.94160%0.6SS**SBend-16354.5118.3-1382000115.7
1553S21.3Very low28Very low78 Ų78109.9 Ų109.955%0.54558%0.575SS.*  cis-164.7150.6-7.9720000111.7
1554K21.8Very low28.2Very low176 Ų176108.2 Ų108.277%0.76557%0.571SS**  trans73.1125.9160-59.5172.4-175.7168.90120.7
1555H26Very low29.3Very low168 Ų168107.6 Ų107.678%0.77857%0.569SS**  trans67.3148.8159.7-57.4-54.4000116.2
1556C24.8Very low30.8Very low84 Ų84104.5 Ų104.557%0.56855%0.547SS*.  cis-153.8159.3-16.3-113.30000108.6
1557H23.9Very low32.7Very low86 Ų86103.2 Ų103.240%0.39852%0.523SS..  44.1116.991-90.6-46.1000111.2K1547K1547-H1557 HydrophobicContact CD-CB 4.48Å; K1547-H1557 VanDerWaalsContact CD-N 3.33Å; K1547-H1557 PolarHBondContact NZ-CD2 2.73Å; K1547-H1557 PolarHBondContact NZ-ND1 3.37Å; K1547-H1557 PolarHBondContact NZ-NE2 3.11Å
1558Y25.9Very low34.4Very low135 Ų13599.9 Ų99.953%0.52951%0.509SS..  cis-135.2179.838.4-110.6-92.4000119.5E841E841-Y1558 VanDerWaalsContact OE1-CB 3.27Å; E841-Y1558 WeakPolarHBondContact OE1-CB 3.29Å
1559E25Very low36.5Very low91 Ų9198.9 Ų98.943%0.42550%0.497SS..  trans-76.1153.7178.1-59.4147.4-154.800113.8C1545C1545-E1559 HydrophobicContact CB-CB 4.35Å
1560K25.3Very low38.7Very low123 Ų12393 Ų9354%0.53547%0.465SS..  trans54.772.7131.3-63.6177.2-179.3-171.70117.7V1544 C1545V1544-K1560 HydrophobicContact CB-CB 4.19Å; V1544-K1560 HydrophobicContact CB-CG 3.69Å; V1544-K1560 HydrophobicContact CG2-CB 4.25Å; V1544-K1560 HydrophobicContact CG2-CG 4.07Å; V1544-K1560 WeakPolarHBondContact O-CE 3.49Å; V1544-K1560 WeakPolarHBondContact O-CG 3.5Å; C1545-K1560 HydrophobicContact CB-CG 4.49Å; C1545-K1560 PolarHBondContact SG-N 2.91Å
1561Q29.3Very low40.7Very low105 Ų10589.7 Ų89.749%0.49145%0.445SS..PPolyproline II helixtrans-101.3120.6159.5-58.5-12930.200111E841 T842E841-Q1561 PolarHBondContact OE2-NE2 3.41Å; T842-Q1561 HydrophobicContact CG2-CB 4.21Å
1562Q34.3Very low42.8Very low127 Ų12781.7 Ų81.759%0.59341%0.407SS*.PPolyproline II helixtrans-95.9120.5-178.1-63.8179.1-70.400111R1541R1541-Q1562 PolarHBondContact O-NE2 3.33Å
1563Y38Very low43.7Very low41 Ų4173.6 Ų73.616%0.16136%0.364CS..PPolyproline II helixtrans-53.9136.8178-64-87.4000114.5L1289 W1394L1289-Y1563 VanDerWaalsContact CD1-CB 3.45Å; L1289-Y1563 HydrophobicContact CD1-CD1 3.71Å; L1289-Y1563 HydrophobicContact CD1-CD2 3.56Å; L1289-Y1563 HydrophobicContact CD1-CE1 4.24Å; L1289-Y1563 HydrophobicContact CD1-CE2 4.12Å; L1289-Y1563 HydrophobicContact CD1-CG 3.32Å; L1289-Y1563 HydrophobicContact CD2-CD1 3.86Å; L1289-Y1563 HydrophobicContact CD2-CG 3.97Å; L1289-Y1563 HydrophobicContact CG-CD1 4.33Å; L1289-Y1563 HydrophobicContact CG-CG 4.08Å; W1394-Y1563 AromaticContact CD2-CE1 3.89Å; W1394-Y1563 HydrophobicContact CD2-CE1 3.89Å; W1394-Y1563 HydrophobicContact CE3-CD1 4.03Å; W1394-Y1563 AromaticContact CE3-CE1 3.38Å; W1394-Y1563 HydrophobicContact CE3-CE1 3.38Å; W1394-Y1563 AromaticContact CE3-CZ 3.92Å; W1394-Y1563 HydrophobicContact CH2-CD1 4.4Å; W1394-Y1563 HydrophobicContact CH2-CE1 4.39Å; W1394-Y1563 AromaticContact CZ3-CD1 3.88Å; W1394-Y1563 HydrophobicContact CZ3-CD1 3.88Å; W1394-Y1563 AromaticContact CZ3-CE1 3.72Å; W1394-Y1563 HydrophobicContact CZ3-CE1 3.72Å
1564P38Very low45.7Very low79 Ų7972.7 Ų72.751%0.51335%0.353SS..  trans-114.927.8-158.143.5-38.9000120.3
1565S49.9Very low47.2Very low27 Ų2768 Ų6819%0.18934%0.339CS..  trans-156.2133.417754.10000115.6R1288 L1289 I1567R1288-S1565 CarbonylContact C-O 3.54Å; R1288-S1565 WeakPolarHBondContact CA-O 3.43Å; R1288-S1565 PolarHBondContact N-O 2.87Å; R1288-S1565 VanDerWaalsContact N-O 3.1Å; L1289-S1565 PolarHBondContact N-O 3.41Å; S1565-I1567 PolarHBondContact O-N 3.14Å; S1565-I1567 PolarHBondContact OG-O 3.26Å; S1565-I1567 VanDerWaalsContact OG-O 3.06Å
1566N62.3Low48.2Very low0 Ų063.7 Ų63.70%032%0.321CS..SBendtrans-80.641.8168.9-65-15000108.2C1286 S1287 R1288 Q1533 I1534C1286-N1566 VanDerWaalsContact CA-CB 3.47Å; C1286-N1566 HydrophobicContact CB-CB 3.68Å; C1286-N1566 PolarHBondContact O-N 2.88Å; C1286-N1566 PolarHBondContact SG-O 3.48Å; S1287-N1566 VanDerWaalsContact C-N 3.3Å; S1287-N1566 WeakPolarHBondContact CA-OD1 3.22Å; S1287-N1566 PolarHBondContact N-ND2 3.32Å; S1287-N1566 PolarHBondContact N-OD1 2.87Å; R1288-N1566 PolarHBondContact N-OD1 3Å; R1288-N1566 VanDerWaalsContact O-CA 3.29Å; R1288-N1566 WeakPolarHBondContact O-CA 3.49Å; Q1533-N1566 WeakPolarHBondContact CA-O 3.42Å; Q1533-N1566 HydrophobicContact CB-CB 4.43Å; Q1533-N1566 VanDerWaalsContact CB-O 3.27Å; Q1533-N1566 WeakPolarHBondContact CB-O 3.44Å; Q1533-N1566 HydrophobicContact CG-CB 3.69Å; Q1533-N1566 WeakPolarHBondContact CG-O 3.48Å; I1534-N1566 VanDerWaalsContact O-CG 3.32Å; I1534-N1566 PolarHBondContact O-ND2 2.72Å; I1534-N1566 VanDerWaalsContact O-ND2 3.16Å
1567I63.2Low49.2Very low46 Ų4660.4 Ų60.424%0.23630%0.302CS..  trans-143.2126.9168.9-56.2-178000105.5C1286 E1531 L1532 S1565 H1569C1286-I1567 HydrophobicContact CB-CG1 4.23Å; E1531-I1567 HydrophobicContact CG-CG2 3.4Å; E1531-I1567 VanDerWaalsContact CG-CG2 3.4Å; L1532-I1567 VanDerWaalsContact O-CA 3.27Å; L1532-I1567 WeakPolarHBondContact O-CA 3.25Å; S1565-I1567 PolarHBondContact O-N 3.14Å; S1565-I1567 PolarHBondContact OG-O 3.26Å; S1565-I1567 VanDerWaalsContact OG-O 3.06Å; I1567-H1569 WeakPolarHBondContact CG2-NE2 3.31Å
1568I65.8Low50.6Low23 Ų2356.6 Ų56.612%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-131.8148.9158.6-82.4-71.4000110L1289 P1290 L1291 W1394 L1532L1289-I1568 HydrophobicContact CB-CG1 4.24Å; L1289-I1568 HydrophobicContact CD2-CG1 4.28Å; P1290-I1568 VanDerWaalsContact CA-CG2 3.5Å; P1290-I1568 HydrophobicContact CB-CB 4.49Å; P1290-I1568 HydrophobicContact CB-CG1 4.27Å; P1290-I1568 HydrophobicContact CB-CG2 4.21Å; L1291-I1568 HydrophobicContact CB-CG2 4.03Å; L1291-I1568 HydrophobicContact CD1-CG2 3.2Å; L1291-I1568 HydrophobicContact CG-CG2 3.32Å; W1394-I1568 HydrophobicContact CH2-CD1 3.75Å; W1394-I1568 HydrophobicContact CH2-CG1 4.48Å; W1394-I1568 HydrophobicContact CZ2-CD1 4.48Å; L1532-I1568 PolarHBondContact N-O 2.81Å; L1532-I1568 PolarHBondContact O-N 2.96Å
1569H71.1Confident52Low94 Ų9451 Ų5144%0.43526%0.264SS..EExtended strand (participates in β ladder)trans-102.198-175.7-60.6-76.1000111.3L1291 T1529 L1530 E1531 I1567 T1571L1291-H1569 WeakPolarHBondContact CD2-O 3.26Å; L1291-H1569 WeakPolarHBondContact CG-O 3.27Å; T1529-H1569 HydrophobicContact CG2-CB 3.74Å; L1530-H1569 CarbonylContact O-C 3.56Å; L1530-H1569 WeakPolarHBondContact O-CA 3.29Å; E1531-H1569 IonicContact OE1-CE1 3.93Å; E1531-H1569 IonicContact OE2-CE1 2.74Å; I1567-H1569 WeakPolarHBondContact CG2-NE2 3.31Å; H1569-T1571 PolarHBondContact O-N 2.87Å
1570V70.6Confident53.5Low0 Ų051.4 Ų51.40%027%0.266CS..EExtended strand (participates in β ladder)trans-76.181.5-172.4-169.50000112.3L1291 T1529 L1530 L1532 Y1572 F1581 I1582L1291-V1570 HydrophobicContact CB-CB 4.03Å; L1291-V1570 HydrophobicContact CB-CG1 3.83Å; L1291-V1570 HydrophobicContact CB-CG2 3.96Å; L1291-V1570 HydrophobicContact CG-CB 4.36Å; L1291-V1570 HydrophobicContact CG-CG2 4.36Å; T1529-V1570 VanDerWaalsContact CA-O 3.23Å; T1529-V1570 WeakPolarHBondContact CA-O 3.02Å; L1530-V1570 HydrophobicContact CB-CB 3.78Å; L1530-V1570 HydrophobicContact CB-CG2 3.99Å; L1530-V1570 HydrophobicContact CD1-CB 4.04Å; L1530-V1570 HydrophobicContact CD1-CG1 4.1Å; L1530-V1570 HydrophobicContact CD1-CG2 4.37Å; L1530-V1570 HydrophobicContact CG-CB 3.92Å; L1530-V1570 HydrophobicContact CG-CG1 4.38Å; L1530-V1570 HydrophobicContact CG-CG2 4.5Å; L1530-V1570 PolarHBondContact N-O 3.07Å; L1530-V1570 VanDerWaalsContact N-O 3.1Å; L1530-V1570 PolarHBondContact O-N 3.31Å; L1532-V1570 HydrophobicContact CB-CG2 4.15Å; L1532-V1570 HydrophobicContact CD1-CG2 3.53Å; L1532-V1570 HydrophobicContact CG-CG2 3.58Å; V1570-Y1572 HydrophobicContact CG1-CD1 4.17Å; V1570-Y1572 WeakPolarHBondContact O-CD1 3.27Å; V1570-F1581 HydrophobicContact CG1-CE2 3.86Å; V1570-F1581 HydrophobicContact CG1-CZ 4.43Å; V1570-I1582 HydrophobicContact CG1-CD1 4.05Å
1571T67.7Low55.2Low51 Ų5145.5 Ų45.531%0.31324%0.24SC..EExtended strand (participates in β ladder)trans-73.3123.3173.765.60000112R1293 I1528 T1529 H1569R1293-T1571 PolarHBondContact NE-O 2.98Å; R1293-T1571 PolarHBondContact NH2-OG1 2.87Å; I1528-T1571 CarbonylContact O-C 3.29Å; I1528-T1571 VanDerWaalsContact O-CA 3.24Å; I1528-T1571 WeakPolarHBondContact O-CA 3.07Å; T1529-T1571 HydrophobicContact CG2-CG2 3.95Å; H1569-T1571 PolarHBondContact O-N 2.87Å
1572Y69.3Low57.1Low6 Ų640.7 Ų40.72%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-155.3156.2179.180.2-97.1000110.6P1346 L1527 I1528 L1530 V1570 I1578 L1579 F1581P1346-Y1572 WeakPolarHBondContact CD-OH 3.31Å; P1346-Y1572 WeakPolarHBondContact CG-OH 3.48Å; L1527-Y1572 CarbonylContact C-O 3.5Å; L1527-Y1572 WeakPolarHBondContact CA-O 3.3Å; I1528-Y1572 HydrophobicContact CB-CD1 4.02Å; I1528-Y1572 HydrophobicContact CB-CD2 4.45Å; I1528-Y1572 HydrophobicContact CB-CE1 3.64Å; I1528-Y1572 HydrophobicContact CB-CE2 4.11Å; I1528-Y1572 HydrophobicContact CB-CG 4.41Å; I1528-Y1572 HydrophobicContact CD1-CE2 3.93Å; I1528-Y1572 WeakPolarHBondContact CD1-OH 3.31Å; I1528-Y1572 HydrophobicContact CG1-CE2 4.35Å; I1528-Y1572 HydrophobicContact CG2-CD1 4.27Å; I1528-Y1572 HydrophobicContact CG2-CE1 3.54Å; I1528-Y1572 PolarHBondContact N-O 3.47Å; I1528-Y1572 PolarHBondContact O-N 2.76Å; L1530-Y1572 HydrophobicContact CD1-CE1 3.96Å; L1530-Y1572 HydrophobicContact CD2-CE1 3.93Å; L1530-Y1572 HydrophobicContact CG-CD1 4.45Å; L1530-Y1572 HydrophobicContact CG-CE1 3.8Å; V1570-Y1572 HydrophobicContact CG1-CD1 4.17Å; V1570-Y1572 WeakPolarHBondContact O-CD1 3.27Å; Y1572-I1578 HydrophobicContact CD2-CD1 4.17Å; Y1572-I1578 HydrophobicContact CD2-CG2 3.75Å; Y1572-I1578 HydrophobicContact CE2-CG2 4.16Å; Y1572-L1579 HydrophobicContact CE1-CD2 4.39Å; Y1572-L1579 HydrophobicContact CE2-CD2 4.16Å; Y1572-F1581 HydrophobicContact CG-CZ 4.49Å
1573H63.6Low58.7Low5 Ų535.5 Ų35.52%0.02319%0.194CC..EExtended strand (participates in β ladder)trans-80155.7179.7-54-62.9000112.4I1294 Y1362 L1372 P1373 V1525 R1526 L1527 V1575 I1578I1294-H1573 WeakPolarHBondContact CD1-CD2 3.45Å; Y1362-H1573 AromaticContact CZ-CD2 3.95Å; Y1362-H1573 WeakPolarHBondContact OH-CA 3.39Å; Y1362-H1573 WeakPolarHBondContact OH-CB 3.37Å; Y1362-H1573 PolarHBondContact OH-CD2 2.89Å; Y1362-H1573 PolarHBondContact OH-N 3.21Å; L1372-H1573 WeakPolarHBondContact CD2-NE2 3.37Å; L1372-H1573 WeakPolarHBondContact CG-NE2 3.49Å; P1373-H1573 VanDerWaalsContact CD-CE1 3.43Å; P1373-H1573 WeakPolarHBondContact CD-CE1 3.38Å; V1525-H1573 HydrophobicContact CG1-CB 4.38Å; V1525-H1573 WeakPolarHBondContact CG1-ND1 3.02Å; R1526-H1573 CarbonylContact O-C 3.56Å; R1526-H1573 WeakPolarHBondContact O-CA 3.48Å; L1527-H1573 WeakPolarHBondContact CD2-ND1 2.93Å; H1573-V1575 HydrophobicContact CB-CG2 3.96Å; H1573-V1575 PolarHBondContact O-N 3.25Å; H1573-I1578 WeakPolarHBondContact O-CD1 3.47Å
1574D63.9Low60.2Low59 Ų5934.5 Ų34.532%0.31619%0.191SC..SBendtrans-85.179.9171.4-157.217.7000109.7R1526 I1528R1526-D1574 HydrophobicContact CB-CB 3.84Å; R1526-D1574 WeakPolarHBondContact CD-OD2 3.13Å; R1526-D1574 HydrophobicContact CG-CB 4.24Å; R1526-D1574 IonicContact CZ-OD2 3.62Å; R1526-D1574 IonicContact NE-OD2 3.94Å; R1526-D1574 IonicContact NH1-OD2 2.84Å; R1526-D1574 PolarHBondContact NH1-OD2 3.18Å; R1526-D1574 PolarHBondContact O-N 2.89Å; I1528-D1574 HydrophobicContact CD1-CB 4.07Å; I1528-D1574 WeakPolarHBondContact CD1-OD1 3.27Å; I1528-D1574 HydrophobicContact CG1-CB 4.1Å
1575V53.6Low61.8Low79 Ų7932.5 Ų32.548%0.47917%0.173SC..  trans-135.5170.1176.5-167.90000107.7H1573 I1578H1573-V1575 HydrophobicContact CB-CG2 3.96Å; H1573-V1575 PolarHBondContact O-N 3.25Å; V1575-I1578 HydrophobicContact CB-CD1 3.98Å; V1575-I1578 WeakPolarHBondContact O-CD1 3.13Å; V1575-I1578 WeakPolarHBondContact O-CG1 3.29Å
1576D46.1Very low62.4Low76 Ų7638.2 Ų38.241%0.40619%0.191SC..SBendtrans-83.9163178.3-61.6-54.3000113.3S1342 I1578S1342-D1576 WeakPolarHBondContact CB-OD1 3.43Å; D1576-I1578 WeakPolarHBondContact O-CG1 3.06Å
1577G47.3Very low62.3Low16 Ų1640.2 Ų40.217%0.16520%0.201CC..SBendtrans73.525.9172.600000116
1578I51.9Low62.3Low5 Ų538.1 Ų38.13%0.02619%0.19CC..  trans-94-42.1-162.2-65.4-161.7000116I1294 Y1362 Y1572 H1573 V1575 D1576 E1580 F1581I1294-I1578 HydrophobicContact CB-CG2 4.43Å; I1294-I1578 HydrophobicContact CG2-CB 3.63Å; I1294-I1578 HydrophobicContact CG2-CD1 3.63Å; I1294-I1578 HydrophobicContact CG2-CG1 3.29Å; I1294-I1578 HydrophobicContact CG2-CG2 3.58Å; Y1362-I1578 HydrophobicContact CE2-CD1 4.33Å; Y1362-I1578 HydrophobicContact CE2-CG2 3.66Å; Y1362-I1578 WeakPolarHBondContact OH-CD1 3.41Å; Y1572-I1578 HydrophobicContact CD2-CD1 4.17Å; Y1572-I1578 HydrophobicContact CD2-CG2 3.75Å; Y1572-I1578 HydrophobicContact CE2-CG2 4.16Å; H1573-I1578 WeakPolarHBondContact O-CD1 3.47Å; V1575-I1578 HydrophobicContact CB-CD1 3.98Å; V1575-I1578 WeakPolarHBondContact O-CD1 3.13Å; V1575-I1578 WeakPolarHBondContact O-CG1 3.29Å; D1576-I1578 WeakPolarHBondContact O-CG1 3.06Å; I1578-E1580 VanDerWaalsContact C-N 3.29Å; I1578-E1580 PolarHBondContact O-N 3.39Å; I1578-E1580 VanDerWaalsContact O-N 3.15Å; I1578-F1581 HydrophobicContact CG2-CE1 3.7Å; I1578-F1581 HydrophobicContact CG2-CZ 4.36Å; I1578-F1581 VanDerWaalsContact O-CD1 3.28Å; I1578-F1581 WeakPolarHBondContact O-CD1 2.97Å; I1578-F1581 VanDerWaalsContact O-CE1 3.26Å; I1578-F1581 WeakPolarHBondContact O-CE1 3.37Å
1579L56.4Low62.2Low19 Ų1939.8 Ų39.810%0.09920%0.199CC..G310 helixtrans-93.731.5-149.9-68.9163.8000113.7Y1344 Y1572 F1581 I1582Y1344-L1579 WeakPolarHBondContact O-CD1 3.47Å; Y1572-L1579 HydrophobicContact CE1-CD2 4.39Å; Y1572-L1579 HydrophobicContact CE2-CD2 4.16Å; L1579-F1581 HydrophobicContact CD2-CD1 4.43Å; L1579-F1581 HydrophobicContact CD2-CE1 3.6Å; L1579-F1581 HydrophobicContact CD2-CE2 4.38Å; L1579-F1581 HydrophobicContact CD2-CZ 3.57Å; L1579-F1581 HydrophobicContact CG-CE1 4.41Å; L1579-F1581 PolarHBondContact O-N 3.16Å; L1579-I1582 HydrophobicContact CD2-CB 4.26Å; L1579-I1582 HydrophobicContact CD2-CD1 3.67Å; L1579-I1582 HydrophobicContact CD2-CG1 3.82Å; L1579-I1582 PolarHBondContact O-N 2.92Å
1580E55.6Low61.7Low98 Ų9838 Ų3846%0.45820%0.201SC..G310 helixtrans-54.1-23174.1-60.1-17315700112.1I1578 G1607I1578-E1580 VanDerWaalsContact C-N 3.29Å; I1578-E1580 PolarHBondContact O-N 3.39Å; I1578-E1580 VanDerWaalsContact O-N 3.15Å; E1580-G1607 PolarHBondContact OE1-N 3.22Å
1581F61.4Low61.3Low0 Ų038.1 Ų38.10%020%0.202CC..G310 helixtrans-94.8-2.5177.771.6-81.3000116.7T1292 R1293 Y1354 L1355 Y1362 V1570 Y1572 I1578 L1579T1292-F1581 VanDerWaalsContact CA-CE2 3.48Å; T1292-F1581 VanDerWaalsContact N-CD2 3.31Å; T1292-F1581 WeakPolarHBondContact O-CB 3.02Å; T1292-F1581 VanDerWaalsContact O-CD2 3.3Å; T1292-F1581 WeakPolarHBondContact O-CD2 3.34Å; T1292-F1581 WeakPolarHBondContact O-CG 3.2Å; R1293-F1581 VanDerWaalsContact C-CE1 3.47Å; R1293-F1581 VanDerWaalsContact CA-CG 3.45Å; R1293-F1581 HydrophobicContact CB-CZ 4.47Å; R1293-F1581 HydrophobicContact CG-CZ 4.42Å; R1293-F1581 VanDerWaalsContact N-CB 3.26Å; R1293-F1581 WeakPolarHBondContact O-CB 3.48Å; R1293-F1581 WeakPolarHBondContact O-CD1 3.31Å; R1293-F1581 WeakPolarHBondContact O-CG 3.48Å; Y1354-F1581 WeakPolarHBondContact CA-O 3.23Å; Y1354-F1581 HydrophobicContact CD2-CD2 4.32Å; L1355-F1581 PolarHBondContact N-O 2.98Å; L1355-F1581 VanDerWaalsContact N-O 3.12Å; Y1362-F1581 HydrophobicContact CD2-CE1 4.24Å; V1570-F1581 HydrophobicContact CG1-CE2 3.86Å; V1570-F1581 HydrophobicContact CG1-CZ 4.43Å; Y1572-F1581 HydrophobicContact CG-CZ 4.49Å; I1578-F1581 HydrophobicContact CG2-CE1 3.7Å; I1578-F1581 HydrophobicContact CG2-CZ 4.36Å; I1578-F1581 VanDerWaalsContact O-CD1 3.28Å; I1578-F1581 WeakPolarHBondContact O-CD1 2.97Å; I1578-F1581 VanDerWaalsContact O-CE1 3.26Å; I1578-F1581 WeakPolarHBondContact O-CE1 3.37Å; L1579-F1581 HydrophobicContact CD2-CD1 4.43Å; L1579-F1581 HydrophobicContact CD2-CE1 3.6Å; L1579-F1581 HydrophobicContact CD2-CE2 4.38Å; L1579-F1581 HydrophobicContact CD2-CZ 3.57Å; L1579-F1581 HydrophobicContact CG-CE1 4.41Å; L1579-F1581 PolarHBondContact O-N 3.16Å
1582I68.5Low60.9Low4 Ų439.5 Ų39.52%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-125.178175.6-44.7-167.5000109.6Y1344 V1352 V1353 L1530 V1570 L1579Y1344-I1582 WeakPolarHBondContact CD1-O 3.42Å; Y1344-I1582 HydrophobicContact CE1-CG2 4.17Å; V1352-I1582 HydrophobicContact CB-CG2 3.54Å; V1352-I1582 HydrophobicContact CG1-CG2 3.44Å; V1352-I1582 VanDerWaalsContact CG1-CG2 3.44Å; V1352-I1582 HydrophobicContact CG2-CG2 4.03Å; V1353-I1582 CarbonylContact O-C 3.56Å; L1530-I1582 HydrophobicContact CD1-CD1 3.55Å; V1570-I1582 HydrophobicContact CG1-CD1 4.05Å; L1579-I1582 HydrophobicContact CD2-CB 4.26Å; L1579-I1582 HydrophobicContact CD2-CD1 3.67Å; L1579-I1582 HydrophobicContact CD2-CG1 3.82Å; L1579-I1582 PolarHBondContact O-N 2.92Å
1583I68.4Low60.6Low18 Ų1844.9 Ų44.99%0.09224%0.24CC..EExtended strand (participates in β ladder)trans-68.1158.1169.2-60.1164.9000108.7V1352 V1353 L1355 I1587 F1588 Y1711V1352-I1583 CarbonylContact C-O 3.53Å; V1352-I1583 WeakPolarHBondContact CA-O 3.33Å; V1352-I1583 VanDerWaalsContact CB-O 3.27Å; V1352-I1583 WeakPolarHBondContact CB-O 3.36Å; V1353-I1583 HydrophobicContact CB-CB 4.45Å; V1353-I1583 PolarHBondContact N-O 2.92Å; V1353-I1583 PolarHBondContact O-N 2.92Å; L1355-I1583 HydrophobicContact CD1-CD1 3.77Å; L1355-I1583 HydrophobicContact CD2-CD1 4.29Å; L1355-I1583 HydrophobicContact CG-CD1 4.12Å; I1583-I1587 HydrophobicContact CG2-CB 3.99Å; I1583-I1587 HydrophobicContact CG2-CG2 3.82Å; I1583-F1588 HydrophobicContact CG2-CB 4.11Å; I1583-Y1711 WeakPolarHBondContact CD1-OH 3.37Å
1584L70.4Confident60.5Low19 Ų1947.1 Ų47.110%0.09925%0.251CS..EExtended strand (participates in β ladder)trans-85.4141.1171-74.1152.2000110.8Y1344 D1350 R1351 V1352 R1586 I1587 F1588 Y1754Y1344-L1584 HydrophobicContact CD1-CD1 4.3Å; Y1344-L1584 HydrophobicContact CD1-CG 4.15Å; Y1344-L1584 HydrophobicContact CD2-CD1 4.41Å; Y1344-L1584 HydrophobicContact CE1-CD1 4.38Å; Y1344-L1584 HydrophobicContact CE1-CD2 3.84Å; Y1344-L1584 HydrophobicContact CE1-CG 3.83Å; Y1344-L1584 HydrophobicContact CE2-CD1 4.47Å; Y1344-L1584 HydrophobicContact CE2-CD2 3.99Å; Y1344-L1584 HydrophobicContact CE2-CG 4.47Å; Y1344-L1584 HydrophobicContact CG-CD1 4.31Å; D1350-L1584 HydrophobicContact CB-CD2 4.47Å; R1351-L1584 WeakPolarHBondContact O-CD2 3.42Å; V1352-L1584 HydrophobicContact CG1-CD2 4.43Å; L1584-R1586 VanDerWaalsContact C-N 3.27Å; L1584-R1586 PolarHBondContact O-N 2.98Å; L1584-R1586 VanDerWaalsContact O-N 3.14Å; L1584-I1587 HydrophobicContact CB-CD1 4.13Å; L1584-I1587 HydrophobicContact CB-CG1 4.24Å; L1584-I1587 HydrophobicContact CD1-CD1 4.19Å; L1584-I1587 WeakPolarHBondContact O-CB 3.45Å; L1584-I1587 PolarHBondContact O-N 2.86Å; L1584-F1588 PolarHBondContact O-N 2.99Å; L1584-Y1754 HydrophobicContact CD1-CD1 3.36Å; L1584-Y1754 HydrophobicContact CD1-CE1 3.59Å; L1584-Y1754 HydrophobicContact CD1-CG 4.45Å
1585R70.7Confident60.8Low38 Ų3850.8 Ų50.814%0.14327%0.266CS..Hα-helixtrans-50.8-45.7-175.8178.450.7147.9158.5-6.2113.1R1351 V1353 C1402 E1535 I1587 F1588 D1589R1351-R1585 HydrophobicContact CB-CB 3.8Å; R1351-R1585 PolarHBondContact O-N 3.34Å; V1353-R1585 HydrophobicContact CG2-CB 4.44Å; C1402-R1585 VanDerWaalsContact SG-CZ 3.51Å; C1402-R1585 PolarHBondContact SG-NH1 2.98Å; E1535-R1585 IonicContact OE2-CZ 3.82Å; E1535-R1585 IonicContact OE2-NE 2.85Å; E1535-R1585 PolarHBondContact OE2-NE 2.81Å; E1535-R1585 IonicContact OE2-NH2 3.29Å; E1535-R1585 PolarHBondContact OE2-NH2 3.05Å; R1585-I1587 VanDerWaalsContact C-N 3.27Å; R1585-I1587 PolarHBondContact O-N 2.87Å; R1585-F1588 PolarHBondContact O-N 3.12Å; R1585-D1589 WeakPolarHBondContact CD-OD1 3.33Å; R1585-D1589 WeakPolarHBondContact CD-OD2 3.41Å; R1585-D1589 IonicContact CZ-OD1 2.82Å; R1585-D1589 IonicContact CZ-OD2 2.64Å; R1585-D1589 IonicContact NE-OD1 3.46Å; R1585-D1589 IonicContact NE-OD2 3.78Å; R1585-D1589 IonicContact NH1-OD1 3.5Å; R1585-D1589 PolarHBondContact NH1-OD1 2.76Å; R1585-D1589 IonicContact NH1-OD2 2.75Å; R1585-D1589 WeakPolarHBondContact O-CB 3.41Å; R1585-D1589 PolarHBondContact O-N 2.85Å
1586R62.6Low61.7Low146 Ų14647.4 Ų47.455%0.55125%0.245SC*.Hα-helixtrans-59.6-31.5177176.6177.9170.7-171.9-5.9114.1L1584 A1590 G1755L1584-R1586 VanDerWaalsContact C-N 3.27Å; L1584-R1586 PolarHBondContact O-N 2.98Å; L1584-R1586 VanDerWaalsContact O-N 3.14Å; R1586-A1590 WeakPolarHBondContact O-CB 3.27Å; R1586-A1590 PolarHBondContact O-N 3.14Å; R1586-G1755 PolarHBondContact NH1-O 2.95Å
1587I60Low63.1Low43 Ų4349 Ų4922%0.22125%0.248CC..Hα-helixtrans-77.4-47.1-177.3-69.9-179.5000109.8I1583 L1584 R1585 A1590 S1591 Y1711 Y1754I1583-I1587 HydrophobicContact CG2-CB 3.99Å; I1583-I1587 HydrophobicContact CG2-CG2 3.82Å; L1584-I1587 HydrophobicContact CB-CD1 4.13Å; L1584-I1587 HydrophobicContact CB-CG1 4.24Å; L1584-I1587 HydrophobicContact CD1-CD1 4.19Å; L1584-I1587 WeakPolarHBondContact O-CB 3.45Å; L1584-I1587 PolarHBondContact O-N 2.86Å; R1585-I1587 VanDerWaalsContact C-N 3.27Å; R1585-I1587 PolarHBondContact O-N 2.87Å; I1587-A1590 WeakPolarHBondContact O-CB 3.39Å; I1587-A1590 PolarHBondContact O-N 2.86Å; I1587-S1591 PolarHBondContact O-N 2.97Å; I1587-S1591 VanDerWaalsContact O-N 3.13Å; I1587-Y1711 HydrophobicContact CG2-CD1 3.6Å; I1587-Y1711 HydrophobicContact CG2-CE1 3.22Å; I1587-Y1711 HydrophobicContact CG2-CE2 4.39Å; I1587-Y1711 HydrophobicContact CG2-CG 4.4Å; I1587-Y1754 HydrophobicContact CD1-CD1 3.76Å; I1587-Y1754 HydrophobicContact CD1-CE1 3.61Å
1588F64.6Low64.5Low1 Ų152.6 Ų52.60%0.00427%0.268CS..Hα-helixtrans-64-39.3175-176.7-93.6000113.3V1353 F1400 I1583 L1584 R1585 A1590 S1591 L1592 W1708V1353-F1588 HydrophobicContact CB-CB 3.94Å; V1353-F1588 HydrophobicContact CB-CD1 4.34Å; V1353-F1588 HydrophobicContact CB-CD2 4.16Å; V1353-F1588 HydrophobicContact CB-CG 3.91Å; V1353-F1588 HydrophobicContact CG1-CB 4.48Å; V1353-F1588 HydrophobicContact CG1-CD1 4.11Å; V1353-F1588 HydrophobicContact CG1-CD2 3.84Å; V1353-F1588 HydrophobicContact CG1-CE1 4.26Å; V1353-F1588 HydrophobicContact CG1-CE2 4.03Å; V1353-F1588 HydrophobicContact CG1-CG 3.89Å; V1353-F1588 HydrophobicContact CG1-CZ 4.24Å; V1353-F1588 HydrophobicContact CG2-CB 3.31Å; V1353-F1588 HydrophobicContact CG2-CD1 3.63Å; V1353-F1588 HydrophobicContact CG2-CD2 4.23Å; V1353-F1588 HydrophobicContact CG2-CE1 4.48Å; V1353-F1588 HydrophobicContact CG2-CG 3.48Å; V1353-F1588 VanDerWaalsContact CG2-CG 3.48Å; F1400-F1588 HydrophobicContact CB-CE2 4.34Å; F1400-F1588 HydrophobicContact CB-CZ 4.31Å; F1400-F1588 HydrophobicContact CD1-CE2 4.3Å; F1400-F1588 AromaticContact CD1-CZ 3.84Å; F1400-F1588 HydrophobicContact CD1-CZ 3.84Å; F1400-F1588 AromaticContact CD2-CE1 3.73Å; F1400-F1588 HydrophobicContact CD2-CE1 3.73Å; F1400-F1588 HydrophobicContact CD2-CE2 4.11Å; F1400-F1588 AromaticContact CD2-CZ 3.28Å; F1400-F1588 HydrophobicContact CD2-CZ 3.28Å; F1400-F1588 AromaticContact CE1-CZ 3.92Å; F1400-F1588 HydrophobicContact CE1-CZ 3.92Å; F1400-F1588 AromaticContact CE2-CE1 3.63Å; F1400-F1588 HydrophobicContact CE2-CE1 3.63Å; F1400-F1588 AromaticContact CE2-CZ 3.39Å; F1400-F1588 HydrophobicContact CE2-CZ 3.39Å; F1400-F1588 HydrophobicContact CG-CE1 4.41Å; F1400-F1588 AromaticContact CG-CE2 3.99Å; F1400-F1588 HydrophobicContact CG-CE2 3.99Å; F1400-F1588 AromaticContact CG-CZ 3.53Å; F1400-F1588 HydrophobicContact CG-CZ 3.53Å; F1400-F1588 HydrophobicContact CZ-CE1 4.22Å; F1400-F1588 AromaticContact CZ-CZ 3.71Å; F1400-F1588 HydrophobicContact CZ-CZ 3.71Å; I1583-F1588 HydrophobicContact CG2-CB 4.11Å; L1584-F1588 PolarHBondContact O-N 2.99Å; R1585-F1588 PolarHBondContact O-N 3.12Å; F1588-A1590 VanDerWaalsContact C-N 3.3Å; F1588-A1590 PolarHBondContact O-N 2.92Å; F1588-S1591 PolarHBondContact O-N 2.98Å; F1588-S1591 PolarHBondContact O-OG 2.88Å; F1588-L1592 HydrophobicContact CD1-CD1 3.92Å; F1588-L1592 HydrophobicContact CD1-CG 4.38Å; F1588-L1592 HydrophobicContact CE1-CD1 3.26Å; F1588-L1592 HydrophobicContact CE1-CG 4.01Å; F1588-L1592 HydrophobicContact CZ-CD1 3.68Å; F1588-L1592 HydrophobicContact CZ-CG 4.18Å; F1588-L1592 PolarHBondContact O-N 2.74Å; F1588-L1592 VanDerWaalsContact O-N 3.08Å; F1588-W1708 HydrophobicContact CD2-CB 3.74Å; F1588-W1708 HydrophobicContact CE2-CB 3.5Å; F1588-W1708 HydrophobicContact CE2-CD2 4.49Å; F1588-W1708 AromaticContact CE2-CG 3.96Å; F1588-W1708 HydrophobicContact CE2-CG 3.96Å
1589D63Low65.4Low58 Ų5853.8 Ų53.831%0.3128%0.282SS..Hα-helixtrans-63.8-38.9175.8-69.8-16.7000111.2R1585 T1593R1585-D1589 WeakPolarHBondContact CD-OD1 3.33Å; R1585-D1589 WeakPolarHBondContact CD-OD2 3.41Å; R1585-D1589 IonicContact CZ-OD1 2.82Å; R1585-D1589 IonicContact CZ-OD2 2.64Å; R1585-D1589 IonicContact NE-OD1 3.46Å; R1585-D1589 IonicContact NE-OD2 3.78Å; R1585-D1589 IonicContact NH1-OD1 3.5Å; R1585-D1589 PolarHBondContact NH1-OD1 2.76Å; R1585-D1589 IonicContact NH1-OD2 2.75Å; R1585-D1589 WeakPolarHBondContact O-CB 3.41Å; R1585-D1589 PolarHBondContact O-N 2.85Å; D1589-T1593 WeakPolarHBondContact O-CG2 3.34Å; D1589-T1593 PolarHBondContact O-N 2.84Å; D1589-T1593 VanDerWaalsContact O-N 3.1Å; D1589-T1593 PolarHBondContact O-OG1 2.67Å; D1589-T1593 VanDerWaalsContact O-OG1 3.14Å
1590A60.8Low66.4Low56 Ų5654.4 Ų54.446%0.46329%0.285SS..Hα-helixtrans-64.4-45.4177.400000111.8R1586 I1587 F1588 T1593 Q1594R1586-A1590 WeakPolarHBondContact O-CB 3.27Å; R1586-A1590 PolarHBondContact O-N 3.14Å; I1587-A1590 WeakPolarHBondContact O-CB 3.39Å; I1587-A1590 PolarHBondContact O-N 2.86Å; F1588-A1590 VanDerWaalsContact C-N 3.3Å; F1588-A1590 PolarHBondContact O-N 2.92Å; A1590-T1593 PolarHBondContact O-N 3.5Å; A1590-T1593 PolarHBondContact O-OG1 2.94Å; A1590-Q1594 PolarHBondContact O-N 3.48Å
1591S61.3Low67.3Low4 Ų451.2 Ų51.23%0.02827%0.271CS..Hα-helixtrans-68.1-34.1-179.264.90000113I1587 F1588 Q1594 W1596 S1707 M1710I1587-S1591 PolarHBondContact O-N 2.97Å; I1587-S1591 VanDerWaalsContact O-N 3.13Å; F1588-S1591 PolarHBondContact O-N 2.98Å; F1588-S1591 PolarHBondContact O-OG 2.88Å; S1591-Q1594 PolarHBondContact O-N 3.44Å; S1591-W1596 PolarHBondContact O-NE1 3.3Å; S1591-S1707 WeakPolarHBondContact CB-O 3.5Å; S1591-M1710 WeakPolarHBondContact CB-O 3.32Å
1592L59.2Low67.9Low80 Ų8051.2 Ų51.242%0.41927%0.272SS..Hα-helixtrans-72.4-28.3171.9-75.8-173.5000114.1F1588 Q1594F1588-L1592 HydrophobicContact CD1-CD1 3.92Å; F1588-L1592 HydrophobicContact CD1-CG 4.38Å; F1588-L1592 HydrophobicContact CE1-CD1 3.26Å; F1588-L1592 HydrophobicContact CE1-CG 4.01Å; F1588-L1592 HydrophobicContact CZ-CD1 3.68Å; F1588-L1592 HydrophobicContact CZ-CG 4.18Å; F1588-L1592 PolarHBondContact O-N 2.74Å; F1588-L1592 VanDerWaalsContact O-N 3.08Å; L1592-Q1594 VanDerWaalsContact C-N 3.27Å
1593T62.7Low67.9Low118 Ų11852.1 Ų52.172%0.72428%0.276SS*.THydrogen-bonded Turntrans-79.9-6.2174.955.90000114.1D1589 A1590D1589-T1593 WeakPolarHBondContact O-CG2 3.34Å; D1589-T1593 PolarHBondContact O-N 2.84Å; D1589-T1593 VanDerWaalsContact O-N 3.1Å; D1589-T1593 PolarHBondContact O-OG1 2.67Å; D1589-T1593 VanDerWaalsContact O-OG1 3.14Å; A1590-T1593 PolarHBondContact O-N 3.5Å; A1590-T1593 PolarHBondContact O-OG1 2.94Å
1594Q63.2Low67.4Low53 Ų5352.2 Ų52.225%0.24828%0.278CS..SBendtrans-87.4113.2179.3178.856.642.600110.5A1590 S1591 L1592 W1596 K1712A1590-Q1594 PolarHBondContact O-N 3.48Å; S1591-Q1594 PolarHBondContact O-N 3.44Å; L1592-Q1594 VanDerWaalsContact C-N 3.27Å; Q1594-W1596 VanDerWaalsContact C-N 3.3Å; Q1594-W1596 HydrophobicContact CB-CZ2 4.4Å; Q1594-W1596 HydrophobicContact CG-CD2 3.76Å; Q1594-W1596 HydrophobicContact CG-CE3 4.14Å; Q1594-W1596 HydrophobicContact CG-CG 4.19Å; Q1594-W1596 HydrophobicContact CG-CH2 4.4Å; Q1594-W1596 HydrophobicContact CG-CZ2 3.99Å; Q1594-W1596 HydrophobicContact CG-CZ3 4.45Å; Q1594-W1596 PolarHBondContact O-N 2.77Å; Q1594-K1712 HydrophobicContact CG-CD 4.45Å
1595E70.1Confident66.6Low135 Ų13553.6 Ų53.663%0.63129%0.288SS*.  trans-68.587.3166.4-71.3-176.7177.100110K1597E1595-K1597 PolarHBondContact O-N 2.71Å; E1595-K1597 WeakPolarHBondContact OE2-CE 3.48Å; E1595-K1597 IonicContact OE2-NZ 2.88Å; E1595-K1597 PolarHBondContact OE2-NZ 3.05Å
1596W72.5Confident65.4Low9 Ų954.9 Ų54.93%0.03430%0.3CS..  trans-64.6123.7176.2-64.8104.1000111.5S1591 Q1594 D1600 F1602 V1616 Y1650 M1710 K1712S1591-W1596 PolarHBondContact O-NE1 3.3Å; Q1594-W1596 VanDerWaalsContact C-N 3.3Å; Q1594-W1596 HydrophobicContact CB-CZ2 4.4Å; Q1594-W1596 HydrophobicContact CG-CD2 3.76Å; Q1594-W1596 HydrophobicContact CG-CE3 4.14Å; Q1594-W1596 HydrophobicContact CG-CG 4.19Å; Q1594-W1596 HydrophobicContact CG-CH2 4.4Å; Q1594-W1596 HydrophobicContact CG-CZ2 3.99Å; Q1594-W1596 HydrophobicContact CG-CZ3 4.45Å; Q1594-W1596 PolarHBondContact O-N 2.77Å; W1596-D1600 HydrophobicContact CE3-CB 3.71Å; W1596-D1600 HydrophobicContact CZ3-CB 4.08Å; W1596-F1602 HydrophobicContact CH2-CB 3.58Å; W1596-F1602 HydrophobicContact CZ3-CB 3.75Å; W1596-V1616 HydrophobicContact CE3-CG2 4.14Å; W1596-Y1650 HydrophobicContact CB-CD1 4.27Å; W1596-Y1650 HydrophobicContact CB-CE1 3.65Å; W1596-Y1650 HydrophobicContact CB-CE2 4.25Å; W1596-Y1650 WeakPolarHBondContact O-CE1 3.39Å; W1596-M1710 HydrophobicContact CB-CE 4.4Å; W1596-M1710 HydrophobicContact CD2-CE 3.5Å; W1596-M1710 VanDerWaalsContact CD2-CE 3.5Å; W1596-M1710 HydrophobicContact CE3-CE 3.58Å; W1596-M1710 HydrophobicContact CG-CE 3.88Å; W1596-M1710 HydrophobicContact CH2-CB 3.96Å; W1596-M1710 HydrophobicContact CH2-CE 4.29Å; W1596-M1710 HydrophobicContact CZ2-CB 3.64Å; W1596-M1710 HydrophobicContact CZ2-CE 4.27Å; W1596-M1710 WeakPolarHBondContact CZ2-O 3.42Å; W1596-M1710 HydrophobicContact CZ3-CE 3.99Å; W1596-K1712 HydrophobicContact CH2-CB 3.99Å
1597K75.6Confident64.1Low110 Ų11050 Ų5048%0.47830%0.296SS..  trans-120152.4-179-75.2155.1-173.1159.50111E1595 G1599 D1600 V1616E1595-K1597 PolarHBondContact O-N 2.71Å; E1595-K1597 WeakPolarHBondContact OE2-CE 3.48Å; E1595-K1597 IonicContact OE2-NZ 2.88Å; E1595-K1597 PolarHBondContact OE2-NZ 3.05Å; K1597-G1599 PolarHBondContact O-N 3.03Å; K1597-G1599 VanDerWaalsContact O-N 3.16Å; K1597-D1600 PolarHBondContact N-OD2 3.24Å; K1597-D1600 WeakPolarHBondContact O-CB 3.21Å; K1597-D1600 PolarHBondContact O-N 3.44Å; K1597-V1616 WeakPolarHBondContact O-CB 3.5Å
1598P75.5Confident62.9Low90 Ų9049.9 Ų49.958%0.58431%0.305SS*.THydrogen-bonded Turntrans-45.5121.7165.8-31.638.7000111.5V1616 I1617P1598-V1616 CarbonylContact C-O 3.27Å; P1598-V1616 WeakPolarHBondContact CA-O 3.47Å; P1598-I1617 WeakPolarHBondContact CB-O 3.45Å
1599G70.8Confident61.7Low31 Ų3154.7 Ų54.732%0.3233%0.331SS..THydrogen-bonded Turntrans99-12.7-174.100000116.2K1597 V1616K1597-G1599 PolarHBondContact O-N 3.03Å; K1597-G1599 VanDerWaalsContact O-N 3.16Å; G1599-V1616 PolarHBondContact N-O 3.26Å
1600D77.7Confident60.7Low31 Ų3155.3 Ų55.317%0.16634%0.34CS..  trans-64.8142.3173.2-93.8-52.8000111.3W1596 K1597 V1616 K1712W1596-D1600 HydrophobicContact CE3-CB 3.71Å; W1596-D1600 HydrophobicContact CZ3-CB 4.08Å; K1597-D1600 PolarHBondContact N-OD2 3.24Å; K1597-D1600 WeakPolarHBondContact O-CB 3.21Å; K1597-D1600 PolarHBondContact O-N 3.44Å; D1600-V1616 HydrophobicContact CB-CG2 4.23Å; D1600-V1616 PolarHBondContact O-N 3.29Å; D1600-K1712 IonicContact OD1-NZ 2.7Å; D1600-K1712 PolarHBondContact OD1-NZ 3.43Å
1601L75.2Confident60.4Low31 Ų3156.5 Ų56.516%0.16233%0.332CS..EExtended strand (participates in β ladder)trans-106.1139.6179.5-73.5158.7000111.8L1615 L1655 C1661 W1713L1601-L1615 HydrophobicContact CD2-CB 4.01Å; L1601-L1615 HydrophobicContact CD2-CD1 3.99Å; L1601-L1615 HydrophobicContact CD2-CG 4.42Å; L1601-L1615 HydrophobicContact CG-CD1 4.43Å; L1601-L1655 HydrophobicContact CD2-CD1 3.56Å; L1601-C1661 HydrophobicContact CD1-CB 3.69Å; L1601-C1661 HydrophobicContact CD2-CB 4.43Å; L1601-W1713 HydrophobicContact CB-CB 4.34Å; L1601-W1713 HydrophobicContact CB-CE3 4.12Å; L1601-W1713 HydrophobicContact CD1-CE3 4.13Å; L1601-W1713 HydrophobicContact CD1-CZ3 4.26Å; L1601-W1713 PolarHBondContact O-N 3.08Å
1602F74.3Confident60.3Low1 Ų162.6 Ų62.60%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-141.6166-179.576.9-90.7000113.2W1596 C1604 R1613 G1614 V1616 V1652 W1654 V1705 M1710 Y1711W1596-F1602 HydrophobicContact CH2-CB 3.58Å; W1596-F1602 HydrophobicContact CZ3-CB 3.75Å; F1602-C1604 HydrophobicContact CD2-CB 4.48Å; F1602-C1604 HydrophobicContact CE2-CB 4.08Å; F1602-R1613 WeakPolarHBondContact O-CA 3.44Å; F1602-G1614 VanDerWaalsContact CD1-O 3.27Å; F1602-G1614 WeakPolarHBondContact CD1-O 3.44Å; F1602-G1614 PolarHBondContact N-O 2.93Å; F1602-G1614 PolarHBondContact O-N 3.38Å; F1602-V1616 HydrophobicContact CD1-CG2 4.35Å; F1602-V1652 HydrophobicContact CE1-CB 4.23Å; F1602-V1652 HydrophobicContact CE1-CG1 3.59Å; F1602-V1652 HydrophobicContact CE1-CG2 3.55Å; F1602-V1652 HydrophobicContact CZ-CB 4.33Å; F1602-V1652 HydrophobicContact CZ-CG1 3.6Å; F1602-V1652 HydrophobicContact CZ-CG2 3.84Å; F1602-W1654 AromaticContact CE2-CH2 3.97Å; F1602-W1654 HydrophobicContact CE2-CH2 3.97Å; F1602-W1654 AromaticContact CE2-CZ3 3.79Å; F1602-W1654 HydrophobicContact CE2-CZ3 3.79Å; F1602-W1654 HydrophobicContact CZ-CH2 4.17Å; F1602-W1654 HydrophobicContact CZ-CZ3 4Å; F1602-V1705 HydrophobicContact CE2-CG1 4.3Å; F1602-V1705 HydrophobicContact CZ-CB 4.38Å; F1602-V1705 HydrophobicContact CZ-CG1 4.15Å; F1602-V1705 HydrophobicContact CZ-CG2 4.33Å; F1602-M1710 HydrophobicContact CB-CB 4.1Å; F1602-M1710 HydrophobicContact CD1-CB 4.41Å; F1602-M1710 HydrophobicContact CD1-CE 3.81Å; F1602-M1710 HydrophobicContact CD1-CG 4.1Å; F1602-M1710 HydrophobicContact CD2-CB 3.74Å; F1602-M1710 HydrophobicContact CD2-CG 3.7Å; F1602-M1710 HydrophobicContact CE1-CE 4.01Å; F1602-M1710 HydrophobicContact CE1-CG 4.02Å; F1602-M1710 HydrophobicContact CE1-SD 4.45Å; F1602-M1710 HydrophobicContact CE2-CB 4.18Å; F1602-M1710 HydrophobicContact CE2-CG 3.63Å; F1602-M1710 HydrophobicContact CG-CB 3.85Å; F1602-M1710 HydrophobicContact CG-CE 4.29Å; F1602-M1710 HydrophobicContact CG-CG 3.93Å; F1602-M1710 HydrophobicContact CZ-CG 3.76Å; F1602-Y1711 CarbonylContact C-O 3.14Å; F1602-Y1711 WeakPolarHBondContact CA-O 3.4Å; F1602-Y1711 VanDerWaalsContact CB-O 3.32Å; F1602-Y1711 WeakPolarHBondContact CB-O 3.45Å
1603I66.8Low60.7Low23 Ų2363.2 Ų63.212%0.11835%0.351CS..EExtended strand (participates in β ladder)trans-120.514316751.5176.5000110.6W1611 W1612 R1613 Y1711 W1713I1603-W1611 HydrophobicContact CB-CB 4.44Å; I1603-W1611 HydrophobicContact CB-CE3 4.04Å; I1603-W1611 HydrophobicContact CD1-CD2 4.21Å; I1603-W1611 HydrophobicContact CD1-CE3 3.65Å; I1603-W1611 HydrophobicContact CD1-CZ3 3.99Å; I1603-W1611 HydrophobicContact CG1-CE3 3.89Å; I1603-W1611 HydrophobicContact CG1-CZ3 4.24Å; I1603-W1612 CarbonylContact C-O 3.6Å; I1603-W1612 WeakPolarHBondContact CA-O 3.3Å; I1603-R1613 HydrophobicContact CG2-CG 3.88Å; I1603-Y1711 PolarHBondContact N-O 3.45Å; I1603-Y1711 PolarHBondContact O-N 2.98Å; I1603-W1713 HydrophobicContact CG2-CB 4.31Å; I1603-W1713 HydrophobicContact CG2-CG 4.05Å
1604C58.6Low61.3Low19 Ų1957.6 Ų57.613%0.12832%0.317CS..EExtended strand (participates in β ladder)trans-121.7130173.7-178.40000108.9F1602 W1611 W1612 W1654 D1709F1602-C1604 HydrophobicContact CD2-CB 4.48Å; F1602-C1604 HydrophobicContact CE2-CB 4.08Å; C1604-W1611 CarbonylContact O-C 3.59Å; C1604-W1611 WeakPolarHBondContact O-CA 3.42Å; C1604-W1612 PolarHBondContact N-O 3.43Å; C1604-W1612 PolarHBondContact O-N 2.99Å; C1604-W1654 HydrophobicContact CB-CH2 3.72Å; C1604-W1654 HydrophobicContact CB-CZ3 3.96Å; C1604-D1709 PolarHBondContact SG-O 2.9Å
1605P54Low62.1Low49 Ų4957.3 Ų57.332%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-75.3137.9174.132-33.4000110.2W1611 Y1711P1605-W1611 HydrophobicContact CB-CD2 4.32Å; P1605-W1611 HydrophobicContact CB-CE3 3.99Å; P1605-W1611 HydrophobicContact CB-CH2 4.3Å; P1605-W1611 HydrophobicContact CB-CZ3 4Å; P1605-W1611 HydrophobicContact CG-CZ3 4.21Å; P1605-Y1711 HydrophobicContact CG-CE2 4.01Å
1606V45.8Very low62.5Low64 Ų6450.9 Ų50.939%0.38829%0.287SS..EExtended strand (participates in β ladder)trans-129.1139.2171.5-179.50000107.5G1608 S1610 W1612V1606-G1608 PolarHBondContact O-N 2.91Å; V1606-S1610 PolarHBondContact N-O 3.21Å; V1606-W1612 VanDerWaalsContact CG2-CD1 3.42Å; V1606-W1612 HydrophobicContact CG2-CD2 4.42Å; V1606-W1612 HydrophobicContact CG2-CG 3.9Å
1607G35.1Very low62.9Low45 Ų4553.2 Ų53.246%0.46430%0.299SS..THydrogen-bonded Turntrans-48.7105.3-170.100000116.2E1580E1580-G1607 PolarHBondContact OE1-N 3.22Å
1608G34.7Very low62.8Low40 Ų4052.4 Ų52.441%0.41230%0.297SS..THydrogen-bonded Turntrans121.989.2169.600000114.5V1606 S1610V1606-G1608 PolarHBondContact O-N 2.91Å; G1608-S1610 WeakPolarHBondContact O-CB 3.39Å; G1608-S1610 PolarHBondContact O-N 2.78Å; G1608-S1610 PolarHBondContact O-OG 3.09Å
1609D39.6Very low62.6Low102 Ų10251.4 Ų51.455%0.54529%0.287SS..THydrogen-bonded Turntrans49.36.2173.1-80.9-32.6000117.8A1341A1341-D1609 WeakPolarHBondContact CB-OD1 3.33Å
1610S41.6Very low62.1Low71 Ų7151.3 Ų51.350%0.49728%0.279SS..EExtended strand (participates in β ladder)trans-125.4143.4-165.1-51.90000112.8V1606 G1608V1606-S1610 PolarHBondContact N-O 3.21Å; G1608-S1610 WeakPolarHBondContact O-CB 3.39Å; G1608-S1610 PolarHBondContact O-N 2.78Å; G1608-S1610 PolarHBondContact O-OG 3.09Å
1611W55.1Low60.8Low81 Ų8153.4 Ų53.431%0.30730%0.296SS..EExtended strand (participates in β ladder)trans-125.9121.7176.9-64.773.4000110.2I1603 C1604 P1605 Y1711I1603-W1611 HydrophobicContact CB-CB 4.44Å; I1603-W1611 HydrophobicContact CB-CE3 4.04Å; I1603-W1611 HydrophobicContact CD1-CD2 4.21Å; I1603-W1611 HydrophobicContact CD1-CE3 3.65Å; I1603-W1611 HydrophobicContact CD1-CZ3 3.99Å; I1603-W1611 HydrophobicContact CG1-CE3 3.89Å; I1603-W1611 HydrophobicContact CG1-CZ3 4.24Å; C1604-W1611 CarbonylContact O-C 3.59Å; C1604-W1611 WeakPolarHBondContact O-CA 3.42Å; P1605-W1611 HydrophobicContact CB-CD2 4.32Å; P1605-W1611 HydrophobicContact CB-CE3 3.99Å; P1605-W1611 HydrophobicContact CB-CH2 4.3Å; P1605-W1611 HydrophobicContact CB-CZ3 4Å; P1605-W1611 HydrophobicContact CG-CZ3 4.21Å; W1611-Y1711 AromaticContact CZ3-CD2 3.96Å; W1611-Y1711 HydrophobicContact CZ3-CD2 3.96Å
1612W58.3Low59.2Low132 Ų13255.4 Ų55.450%0.531%0.307SS..EExtended strand (participates in β ladder)trans-78.2140176.1-74.550.4000109.8I1603 C1604 V1606 W1654I1603-W1612 CarbonylContact C-O 3.6Å; I1603-W1612 WeakPolarHBondContact CA-O 3.3Å; C1604-W1612 PolarHBondContact N-O 3.43Å; C1604-W1612 PolarHBondContact O-N 2.99Å; V1606-W1612 VanDerWaalsContact CG2-CD1 3.42Å; V1606-W1612 HydrophobicContact CG2-CD2 4.42Å; V1606-W1612 HydrophobicContact CG2-CG 3.9Å; W1612-W1654 HydrophobicContact CB-CE3 3.92Å; W1612-W1654 HydrophobicContact CB-CH2 4.38Å; W1612-W1654 HydrophobicContact CB-CZ3 3.68Å; W1612-W1654 AromaticContact CE3-CD2 3.82Å; W1612-W1654 HydrophobicContact CE3-CD2 3.82Å; W1612-W1654 HydrophobicContact CE3-CE3 4.04Å; W1612-W1654 HydrophobicContact CE3-CG 4.04Å; W1612-W1654 HydrophobicContact CZ3-CD2 4.45Å; W1612-W1654 HydrophobicContact CZ3-CG 4.28Å
1613R68.1Low57.8Low92 Ų9262.5 Ų62.535%0.34735%0.345SS..EExtended strand (participates in β ladder)trans-102.7134.2177.4-67.2177.5-168.7159.27.4110.3F1602 I1603 L1655F1602-R1613 WeakPolarHBondContact O-CA 3.44Å; I1603-R1613 HydrophobicContact CG2-CG 3.88Å; R1613-L1655 HydrophobicContact CB-CB 4.19Å; R1613-L1655 HydrophobicContact CB-CD1 4.4Å; R1613-L1655 PolarHBondContact O-N 3.17Å
1614G74.6Confident56.6Low0 Ų066.8 Ų66.80%037%0.368CS..EExtended strand (participates in β ladder)trans-132.4153.3178.600000112.9F1602 R1653F1602-G1614 VanDerWaalsContact CD1-O 3.27Å; F1602-G1614 WeakPolarHBondContact CD1-O 3.44Å; F1602-G1614 PolarHBondContact N-O 2.93Å; F1602-G1614 PolarHBondContact O-N 3.38Å; G1614-R1653 WeakPolarHBondContact CA-O 3.38Å
1615L79.4Confident55.9Low48 Ų4871.1 Ų71.125%0.25139%0.39SS..EExtended strand (participates in β ladder)trans-118.6132.2171.2178.8140.7000110L1601 I1617 V1652 R1653 L1655L1601-L1615 HydrophobicContact CD2-CB 4.01Å; L1601-L1615 HydrophobicContact CD2-CD1 3.99Å; L1601-L1615 HydrophobicContact CD2-CG 4.42Å; L1601-L1615 HydrophobicContact CG-CD1 4.43Å; L1615-I1617 PolarHBondContact O-N 2.88Å; L1615-V1652 WeakPolarHBondContact O-CA 3.39Å; L1615-R1653 PolarHBondContact N-O 3.2Å; L1615-R1653 PolarHBondContact O-N 3.44Å; L1615-L1655 HydrophobicContact CB-CD1 4.38Å; L1615-L1655 HydrophobicContact CB-CD2 4.22Å; L1615-L1655 HydrophobicContact CB-CG 4.46Å
1616V79.6Confident54.7Low0 Ų073.9 Ų73.90%041%0.41CS..EExtended strand (participates in β ladder)trans-71.8120.7176.9179.10000110.1W1596 K1597 P1598 G1599 D1600 F1602 Y1650 M1710W1596-V1616 HydrophobicContact CE3-CG2 4.14Å; K1597-V1616 WeakPolarHBondContact O-CB 3.5Å; P1598-V1616 CarbonylContact C-O 3.27Å; P1598-V1616 WeakPolarHBondContact CA-O 3.47Å; G1599-V1616 PolarHBondContact N-O 3.26Å; D1600-V1616 HydrophobicContact CB-CG2 4.23Å; D1600-V1616 PolarHBondContact O-N 3.29Å; F1602-V1616 HydrophobicContact CD1-CG2 4.35Å; V1616-Y1650 HydrophobicContact CG1-CD1 3.6Å; V1616-Y1650 HydrophobicContact CG1-CE1 4.36Å; V1616-Y1650 HydrophobicContact CG1-CG 4.35Å; V1616-M1710 HydrophobicContact CG2-CE 3.33Å
1617I80.1Confident53.9Low57 Ų5775.5 Ų75.529%0.29242%0.42SS..EExtended strand (participates in β ladder)trans-89.6-52.9175.7-45.5178.3000110.3P1598 L1615 L1651 R1653 I1702P1598-I1617 WeakPolarHBondContact CB-O 3.45Å; L1615-I1617 PolarHBondContact O-N 2.88Å; I1617-L1651 WeakPolarHBondContact CA-O 3.49Å; I1617-L1651 HydrophobicContact CB-CB 4.48Å; I1617-L1651 HydrophobicContact CB-CD2 4.4Å; I1617-L1651 WeakPolarHBondContact CB-O 3.38Å; I1617-L1651 HydrophobicContact CD1-CD2 4.16Å; I1617-L1651 HydrophobicContact CD1-CG 4.16Å; I1617-L1651 HydrophobicContact CG2-CD2 4.47Å; I1617-L1651 PolarHBondContact N-O 2.9Å; I1617-R1653 HydrophobicContact CD1-CB 3.92Å; I1617-R1653 HydrophobicContact CG1-CB 4.14Å; I1617-I1702 HydrophobicContact CD1-CD1 3.89Å; I1617-I1702 HydrophobicContact CD1-CG1 4.11Å; I1617-I1702 HydrophobicContact CD1-CG2 3.93Å
1618Q75Confident53.6Low93 Ų9377.3 Ų77.344%0.43543%0.426SS..EExtended strand (participates in β ladder)trans-153145.6-170.5-177.3169.8-1700111.1Y1650 L1651Q1618-Y1650 WeakPolarHBondContact O-CA 3.28Å; Q1618-L1651 HydrophobicContact CB-CB 4.26Å; Q1618-L1651 PolarHBondContact N-O 3.49Å; Q1618-L1651 PolarHBondContact O-N 2.89Å
1619N70.6Confident53Low70 Ų7083 Ų8337%0.37444%0.439SS..EExtended strand (participates in β ladder)trans-90.7127167.2-172.713.9000108.4Y1650N1619-Y1650 HydrophobicContact CB-CD1 4.04Å; N1619-Y1650 HydrophobicContact CB-CE1 3.67Å
1620L60.4Low52.3Low28 Ų2883.6 Ų83.615%0.14745%0.449CS..  trans-94.6131.4-179-63.2165000110.3T1649 L1651 H1704L1620-T1649 WeakPolarHBondContact CB-O 3.47Å; L1620-T1649 PolarHBondContact N-O 3.18Å; L1620-T1649 VanDerWaalsContact N-O 3.12Å; L1620-L1651 HydrophobicContact CD1-CB 4.43Å; L1620-H1704 WeakPolarHBondContact CD1-ND1 3.43Å
1621S50.6Low51.4Low75 Ų7586 Ų8652%0.52447%0.465SS..  trans-113.8152.5174.448.60000110.6D1623 D1624S1621-D1623 VanDerWaalsContact C-N 3.25Å; S1621-D1623 PolarHBondContact O-N 3.14Å; S1621-D1624 PolarHBondContact O-N 3.43Å
1622D41.7Very low50Low74 Ų7488.2 Ų88.240%0.39649%0.488SS..G310 helixtrans-58-20.4-156.5-60.7-78.1000117.3D1624 N1647D1622-D1624 PolarHBondContact O-N 2.83Å; D1622-N1647 WeakPolarHBondContact OD1-CB 3.33Å; D1622-N1647 PolarHBondContact OD1-ND2 3.22Å
1623D43.1Very low48.3Very low150 Ų15086 Ų8680%0.80249%0.492SS*.G310 helixtrans-67.6-30.1-175.2-69.8-48.6000114.7S1621 L1625S1621-D1623 VanDerWaalsContact C-N 3.25Å; S1621-D1623 PolarHBondContact O-N 3.14Å; D1623-L1625 PolarHBondContact O-N 3.45Å
1624D43.7Very low46.2Very low112 Ų11288.9 Ų88.960%0.59951%0.514SS*.G310 helixtrans-81.3-13.4-169.5-76.8-38.7000114.8S1621 D1622 S1626S1621-D1624 PolarHBondContact O-N 3.43Å; D1622-D1624 PolarHBondContact O-N 2.83Å; D1624-S1626 VanDerWaalsContact C-N 3.29Å; D1624-S1626 PolarHBondContact O-N 2.8Å
1625L42.1Very low43.9Very low111 Ų11195.1 Ų95.158%0.58155%0.552SS**G310 helixtrans-80.53.6-168.1-93.5148.7000115.7D1623 T1627D1623-L1625 PolarHBondContact O-N 3.45Å; L1625-T1627 VanDerWaalsContact C-N 3.29Å; L1625-T1627 PolarHBondContact O-N 2.95Å; L1625-T1627 VanDerWaalsContact O-N 3.14Å
1626S28.8Very low41.4Very low107 Ų107100.8 Ų100.875%0.74858%0.577SS**G310 helixtrans-71.1-6.9-16860.30000116.9D1624D1624-S1626 VanDerWaalsContact C-N 3.29Å; D1624-S1626 PolarHBondContact O-N 2.8Å
1627T29.4Very low38.8Very low97 Ų97107.6 Ų107.660%0.59561%0.613SS**G310 helixtrans-13230.5-167.355.50000117.7L1625 L1695L1625-T1627 VanDerWaalsContact C-N 3.29Å; L1625-T1627 PolarHBondContact O-N 2.95Å; L1625-T1627 VanDerWaalsContact O-N 3.14Å; T1627-L1695 VanDerWaalsContact O-CD2 3.23Å; T1627-L1695 WeakPolarHBondContact O-CD2 3.41Å
1628S29.3Very low36.3Very low84 Ų84110.3 Ų110.359%0.58763%0.629SS**  trans-144.5130.7157.965.20000114.1
1629K22.8Very low34Very low160 Ų160112.7 Ų112.770%0.69664%0.644SS**  trans-118.9108.1177.3-83.9-173.6175.2178.30111.3
1630P24.5Very low31.9Very low114 Ų114115.5 Ų115.574%0.7466%0.659SS**  trans-62.9156.513232.2-33.1000109.5T1632P1630-T1632 PolarHBondContact O-N 3.23Å
1631S21.6Very low30.3Very low121 Ų121120.9 Ų120.985%0.84669%0.688SS**SBendtrans-91.589.2-156.856.80000116.1
1632T25.8Very low29.3Very low128 Ų128123.2 Ų123.279%0.78570%0.699SS**  trans-143.1146.6150.3470000111.1P1630P1630-T1632 PolarHBondContact O-N 3.23Å
1633S23.6Very low28.7Very low85 Ų85126.2 Ų126.259%0.59471%0.713SS**  trans-175.3153.8-175.158.50000111
1634L23.4Very low28.4Very low153 Ų153125.9 Ų125.980%0.80171%0.706SS**  cis-123.1-164.4-2.3-61.180.7000108
1635V27Very low28.2Very low130 Ų130129 Ų12979%0.78872%0.715SS**  cis-155.2165.64.877.30000110.5
1636E26.7Very low28.1Very low167 Ų167126.4 Ų126.478%0.7870%0.701SS**  trans-107.2160.6179.4-56.2166.8111.700113.3
1637N25.5Very low28.9Very low143 Ų143126.2 Ų126.277%0.76569%0.691SS**  -173.9107129.4-107.5-76.6000114.4
1638N26.9Very low30.1Very low115 Ų115123.4 Ų123.462%0.61567%0.674SS**  trans46.6118138.5-57.1-33000120.5
1639N25.7Very low31.5Very low142 Ų142121 Ų12176%0.75966%0.656SS**  -164.6112.768.3-87.4-72.9000115.4
1640N27.6Very low33.9Very low129 Ų129114.3 Ų114.369%0.6963%0.627SS**  trans63.2142.4132-57.71.1000124.3
1641N26.5Very low36.4Very low142 Ų142110.2 Ų110.276%0.75960%0.598SS**SBendtrans76.569.1158.6-61-4.7000119.4
1642T29.3Very low39Very low124 Ų124104.4 Ų104.476%0.76156%0.558SS**SBendtrans-171.2-17.1137.810.80000114.8H1644T1642-H1644 PolarHBondContact O-N 2.99Å; T1642-H1644 VanDerWaalsContact O-N 3.14Å
1643M29.6Very low41.5Very low136 Ų136101.9 Ų101.967%0.6753%0.534SS*.  trans-78.288.2178.6-71-68.7-148.600112.4L1646M1643-L1646 HydrophobicContact SD-CD1 4.09Å
1644H36Very low44Very low143 Ų14399.4 Ų99.466%0.66251%0.511SS*.  trans-137.74.4172.8-92-46000115.2T1642T1642-H1644 PolarHBondContact O-N 2.99Å; T1642-H1644 VanDerWaalsContact O-N 3.14Å
1645F40Very low46.2Very low179 Ų17993.3 Ų93.379%0.78548%0.48SS*.SBendtrans-123.814-176.3-78-78.7000114.1
1646L40.3Very low47.7Very low56 Ų5691.8 Ų91.829%0.29347%0.467SS..SBendtrans-122.5-5.4-176.4-70.9174.1000114.5F1400 Y1540 M1643F1400-L1646 HydrophobicContact CE1-CD2 3.96Å; Y1540-L1646 HydrophobicContact CD1-CD1 4.38Å; Y1540-L1646 HydrophobicContact CE1-CD1 3.82Å; Y1540-L1646 HydrophobicContact CE1-CG 4.45Å; M1643-L1646 HydrophobicContact SD-CD1 4.09Å
1647N46Very low48.8Very low102 Ų10292.3 Ų92.355%0.54547%0.47SS..  trans-108.45-179.5-83.78.9000114D1622 T1649D1622-N1647 WeakPolarHBondContact OD1-CB 3.33Å; D1622-N1647 PolarHBondContact OD1-ND2 3.22Å; N1647-T1649 PolarHBondContact O-N 3.04Å
1648T55.1Low49.8Very low39 Ų3992.6 Ų92.624%0.23947%0.471CS..  trans-70.175.8176.951.50000111Y1650T1648-Y1650 WeakPolarHBondContact O-CD2 3.43Å
1649T58.4Low50.7Low33 Ų3390.2 Ų90.220%0.20246%0.456CS..EExtended strand (participates in β ladder)trans-78.7131.116649.50000108L1620 N1647L1620-T1649 WeakPolarHBondContact CB-O 3.47Å; L1620-T1649 PolarHBondContact N-O 3.18Å; L1620-T1649 VanDerWaalsContact N-O 3.12Å; N1647-T1649 PolarHBondContact O-N 3.04Å
1650Y72.5Confident51.5Low20 Ų2088.7 Ų88.78%0.07845%0.454CS..EExtended strand (participates in β ladder)trans-97.9127.2175.6-70.2-91000108W1596 V1616 Q1618 N1619 T1648 V1652 V1705 M1710W1596-Y1650 HydrophobicContact CB-CD1 4.27Å; W1596-Y1650 HydrophobicContact CB-CE1 3.65Å; W1596-Y1650 HydrophobicContact CB-CE2 4.25Å; W1596-Y1650 WeakPolarHBondContact O-CE1 3.39Å; V1616-Y1650 HydrophobicContact CG1-CD1 3.6Å; V1616-Y1650 HydrophobicContact CG1-CE1 4.36Å; V1616-Y1650 HydrophobicContact CG1-CG 4.35Å; Q1618-Y1650 WeakPolarHBondContact O-CA 3.28Å; N1619-Y1650 HydrophobicContact CB-CD1 4.04Å; N1619-Y1650 HydrophobicContact CB-CE1 3.67Å; T1648-Y1650 WeakPolarHBondContact O-CD2 3.43Å; Y1650-V1652 PolarHBondContact O-N 2.89Å; Y1650-V1705 PolarHBondContact N-O 3.31Å; Y1650-V1705 PolarHBondContact O-N 2.92Å; Y1650-M1710 HydrophobicContact CD2-SD 4.21Å; Y1650-M1710 HydrophobicContact CG-CE 4.5Å; Y1650-M1710 HydrophobicContact CG-SD 4.41Å
1651L76.9Confident52Low27 Ų2784.6 Ų84.614%0.14144%0.435CS..EExtended strand (participates in β ladder)trans-70.9122.8164.8-167.776.4000106.9I1617 Q1618 L1620 L1698 I1702I1617-L1651 WeakPolarHBondContact CA-O 3.49Å; I1617-L1651 HydrophobicContact CB-CB 4.48Å; I1617-L1651 HydrophobicContact CB-CD2 4.4Å; I1617-L1651 WeakPolarHBondContact CB-O 3.38Å; I1617-L1651 HydrophobicContact CD1-CD2 4.16Å; I1617-L1651 HydrophobicContact CD1-CG 4.16Å; I1617-L1651 HydrophobicContact CG2-CD2 4.47Å; I1617-L1651 PolarHBondContact N-O 2.9Å; Q1618-L1651 HydrophobicContact CB-CB 4.26Å; Q1618-L1651 PolarHBondContact N-O 3.49Å; Q1618-L1651 PolarHBondContact O-N 2.89Å; L1620-L1651 HydrophobicContact CD1-CB 4.43Å; L1651-L1698 HydrophobicContact CD1-CD1 4.47Å; L1651-I1702 HydrophobicContact CD1-CG2 3.79Å; L1651-I1702 HydrophobicContact CD2-CG2 4.28Å; L1651-I1702 HydrophobicContact CG-CG2 3.9Å
1652V77.3Confident52.3Low0 Ų088.4 Ų88.40%044%0.441CS..EExtended strand (participates in β ladder)trans-122.9145.6-171.8162.40000109.6F1602 L1615 Y1650 I1702 D1703 V1705F1602-V1652 HydrophobicContact CE1-CB 4.23Å; F1602-V1652 HydrophobicContact CE1-CG1 3.59Å; F1602-V1652 HydrophobicContact CE1-CG2 3.55Å; F1602-V1652 HydrophobicContact CZ-CB 4.33Å; F1602-V1652 HydrophobicContact CZ-CG1 3.6Å; F1602-V1652 HydrophobicContact CZ-CG2 3.84Å; L1615-V1652 WeakPolarHBondContact O-CA 3.39Å; Y1650-V1652 PolarHBondContact O-N 2.89Å; V1652-I1702 CarbonylContact O-C 3.57Å; V1652-I1702 VanDerWaalsContact O-CA 3.26Å; V1652-I1702 WeakPolarHBondContact O-CA 3.39Å; V1652-I1702 WeakPolarHBondContact O-CG2 3.3Å; V1652-D1703 PolarHBondContact N-O 3.4Å; V1652-D1703 PolarHBondContact O-N 3.43Å; V1652-V1705 HydrophobicContact CB-CB 4.44Å; V1652-V1705 HydrophobicContact CB-CG2 3.91Å; V1652-V1705 HydrophobicContact CG1-CG2 4.19Å; V1652-V1705 HydrophobicContact CG2-CB 3.92Å; V1652-V1705 HydrophobicContact CG2-CG2 3.94Å
1653R77.3Confident52.5Low75 Ų7585 Ų8528%0.28343%0.43SS..EExtended strand (participates in β ladder)trans-102.3122.7160.1-174.5166.6176-116.3-8.8109.3G1614 L1615 I1617 E1659 N1701 I1702G1614-R1653 WeakPolarHBondContact CA-O 3.38Å; L1615-R1653 PolarHBondContact N-O 3.2Å; L1615-R1653 PolarHBondContact O-N 3.44Å; I1617-R1653 HydrophobicContact CD1-CB 3.92Å; I1617-R1653 HydrophobicContact CG1-CB 4.14Å; R1653-E1659 IonicContact CZ-OE1 2.69Å; R1653-E1659 VanDerWaalsContact CZ-OE1 3.3Å; R1653-E1659 IonicContact CZ-OE2 3.47Å; R1653-E1659 VanDerWaalsContact CZ-OE2 3.24Å; R1653-E1659 VanDerWaalsContact NH1-CD 3.27Å; R1653-E1659 IonicContact NH1-OE1 3.83Å; R1653-E1659 PolarHBondContact NH1-OE1 3.14Å; R1653-E1659 IonicContact NH1-OE2 3.33Å; R1653-E1659 PolarHBondContact NH1-OE2 3.41Å; R1653-E1659 VanDerWaalsContact NH2-CD 3.27Å; R1653-E1659 IonicContact NH2-OE1 2.98Å; R1653-E1659 PolarHBondContact NH2-OE1 3.4Å; R1653-E1659 IonicContact NH2-OE2 3.58Å; R1653-E1659 PolarHBondContact NH2-OE2 3.11Å; R1653-N1701 CarbonylContact C-O 3.59Å; R1653-N1701 WeakPolarHBondContact CA-O 3.36Å; R1653-N1701 PolarHBondContact NE-ND2 2.89Å; R1653-N1701 PolarHBondContact NH2-ND2 3.44Å; R1653-I1702 HydrophobicContact CB-CG1 4.31Å; R1653-I1702 HydrophobicContact CG-CG1 4.27Å
1654W75.7Confident52.3Low32 Ų3286 Ų8612%0.12144%0.438CS..EExtended strand (participates in β ladder)trans-69.7136.9166.5-65.6118.3000109.2F1602 C1604 W1612 N1701 D1703 V1705F1602-W1654 AromaticContact CE2-CH2 3.97Å; F1602-W1654 HydrophobicContact CE2-CH2 3.97Å; F1602-W1654 AromaticContact CE2-CZ3 3.79Å; F1602-W1654 HydrophobicContact CE2-CZ3 3.79Å; F1602-W1654 HydrophobicContact CZ-CH2 4.17Å; F1602-W1654 HydrophobicContact CZ-CZ3 4Å; C1604-W1654 HydrophobicContact CB-CH2 3.72Å; C1604-W1654 HydrophobicContact CB-CZ3 3.96Å; W1612-W1654 HydrophobicContact CB-CE3 3.92Å; W1612-W1654 HydrophobicContact CB-CH2 4.38Å; W1612-W1654 HydrophobicContact CB-CZ3 3.68Å; W1612-W1654 AromaticContact CE3-CD2 3.82Å; W1612-W1654 HydrophobicContact CE3-CD2 3.82Å; W1612-W1654 HydrophobicContact CE3-CE3 4.04Å; W1612-W1654 HydrophobicContact CE3-CG 4.04Å; W1612-W1654 HydrophobicContact CZ3-CD2 4.45Å; W1612-W1654 HydrophobicContact CZ3-CG 4.28Å; W1654-N1701 PolarHBondContact N-O 3.11Å; W1654-D1703 PolarHBondContact NE1-OD2 2.83Å; W1654-V1705 HydrophobicContact CH2-CG2 4.27Å; W1654-V1705 HydrophobicContact CZ2-CG2 3.82Å
1655L70.1Confident52Low25 Ų2587.6 Ų87.613%0.13145%0.448CS..EExtended strand (participates in β ladder)trans-99.5122.5-178.4-57.7176.7000109.2L1601 R1613 L1615 E1659L1601-L1655 HydrophobicContact CD2-CD1 3.56Å; R1613-L1655 HydrophobicContact CB-CB 4.19Å; R1613-L1655 HydrophobicContact CB-CD1 4.4Å; R1613-L1655 PolarHBondContact O-N 3.17Å; L1615-L1655 HydrophobicContact CB-CD1 4.38Å; L1615-L1655 HydrophobicContact CB-CD2 4.22Å; L1615-L1655 HydrophobicContact CB-CG 4.46Å; L1655-E1659 VanDerWaalsContact CD2-OE2 3.27Å; L1655-E1659 WeakPolarHBondContact CD2-OE2 3.28Å
1656D59.1Low51.5Low98 Ų9886.4 Ų86.452%0.52445%0.448SS..PPolyproline II helixtrans-58.9153.1169.6-60.7-57.3000110.1N1658 E1659D1656-N1658 PolarHBondContact O-N 3.48Å; D1656-E1659 PolarHBondContact O-N 3.33Å
1657E50.1Low51Low179 Ų17990.6 Ų90.684%0.83647%0.471SS*.THydrogen-bonded Turntrans-53.6-19.7-174.7-60.5-170.9134.300114.7
1658N45.3Very low50Low149 Ų14991.7 Ų91.780%0.79749%0.487SS*.THydrogen-bonded Turntrans-105.4-0.8-175.5-62.9-73000115D1656 P1660D1656-N1658 PolarHBondContact O-N 3.48Å; N1658-P1660 WeakPolarHBondContact O-CD 3.39Å
1659E45.4Very low48.8Very low64 Ų6494.8 Ų94.830%0.29951%0.51SS..  trans-78.6121.9177-77.9-154.7145.400112.4R1653 L1655 D1656 C1661R1653-E1659 IonicContact CZ-OE1 2.69Å; R1653-E1659 VanDerWaalsContact CZ-OE1 3.3Å; R1653-E1659 IonicContact CZ-OE2 3.47Å; R1653-E1659 VanDerWaalsContact CZ-OE2 3.24Å; R1653-E1659 VanDerWaalsContact NH1-CD 3.27Å; R1653-E1659 IonicContact NH1-OE1 3.83Å; R1653-E1659 PolarHBondContact NH1-OE1 3.14Å; R1653-E1659 IonicContact NH1-OE2 3.33Å; R1653-E1659 PolarHBondContact NH1-OE2 3.41Å; R1653-E1659 VanDerWaalsContact NH2-CD 3.27Å; R1653-E1659 IonicContact NH2-OE1 2.98Å; R1653-E1659 PolarHBondContact NH2-OE1 3.4Å; R1653-E1659 IonicContact NH2-OE2 3.58Å; R1653-E1659 PolarHBondContact NH2-OE2 3.11Å; L1655-E1659 VanDerWaalsContact CD2-OE2 3.27Å; L1655-E1659 WeakPolarHBondContact CD2-OE2 3.28Å; D1656-E1659 PolarHBondContact O-N 3.33Å; E1659-C1661 PolarHBondContact O-N 2.81Å
1660P42.8Very low47.3Very low111 Ų111101.6 Ų101.672%0.72155%0.545SS*.  trans-80.7121.6-177.331.6-33.9000112N1658 Y1662N1658-P1660 WeakPolarHBondContact O-CD 3.39Å; P1660-Y1662 PolarHBondContact O-N 2.78Å; P1660-Y1662 VanDerWaalsContact O-N 3.14Å
1661C38.3Very low45.1Very low43 Ų43104.2 Ų104.229%0.29158%0.578SS.*  trans-73.9101.2-176.4-67.20000113.2L1601 E1659 W1713L1601-C1661 HydrophobicContact CD1-CB 3.69Å; L1601-C1661 HydrophobicContact CD2-CB 4.43Å; E1659-C1661 PolarHBondContact O-N 2.81Å; C1661-W1713 HydrophobicContact CB-CH2 4.21Å; C1661-W1713 HydrophobicContact CB-CZ3 3.6Å; C1661-W1713 WeakPolarHBondContact SG-CZ3 3.49Å
1662Y33.6Very low42.7Very low222 Ų222110.9 Ų110.987%0.87161%0.614SS**  trans-118.6115.9167.2-95.8-88.1000110.1P1660P1660-Y1662 PolarHBondContact O-N 2.78Å; P1660-Y1662 VanDerWaalsContact O-N 3.14Å
1663G33.5Very low40.2Very low52 Ų52116.8 Ų116.854%0.53666%0.655SS.*  trans-14216.7-174.100000115.3M1665G1663-M1665 PolarHBondContact O-N 3.48Å
1664D25.6Very low37.8Very low158 Ų158119.3 Ų119.385%0.84568%0.679SS**  trans-95.576.1-174.4-163.920.9000111.9
1665M28.1Very low35.3Very low175 Ų175125.6 Ų125.686%0.86271%0.712SS**  trans178.4119.2158.5-105.2177.6-136.100112.1G1663G1663-M1665 PolarHBondContact O-N 3.48Å
1666I30.5Very low33.3Very low154 Ų154132.2 Ų132.279%0.7975%0.747SS**  trans177.3139.6130.6-94.4159.3000111.3
1667N30.1Very low31.7Very low145 Ų145132.5 Ų132.578%0.77576%0.757SS**  trans60.272.7166.7-66.3-11.7000119.7
1668S24.8Very low30.4Very low125 Ų125131.4 Ų131.487%0.87476%0.756SS**  trans-121.899.314168.70000110.6
1669S30.1Very low29.7Very low104 Ų104135.5 Ų135.573%0.72776%0.763SS**  trans-158.8120.5175.756.20000113.8
1670N25.6Very low28.6Very low175 Ų175137.4 Ų137.494%0.93678%0.783SS**  trans-88.7147162-75.2-41.5000110.1
1671G27.4Very low27.8Very low75 Ų75140 Ų14077%0.77379%0.785SS**  trans12212615700000116.1
1672N25.6Very low27.3Very low168 Ų168145.5 Ų145.590%0.89881%0.812SS**  trans-81.9123.2178.2-68-23.2000112.5
1673S25.5Very low27.2Very low123 Ų123143.2 Ų143.286%0.8681%0.814SS**  trans179.8171.4136.735.90000110.9
1674T27.4Very low26.8Very low128 Ų128148.5 Ų148.579%0.78583%0.829SS**  trans-118.1171.6-152.749.70000115.7
1675M23Very low26.9Very low165 Ų165144.9 Ų144.981%0.81382%0.821SS**  trans85.689.5168.5-56.5-64.5-170.700118.6
1676N27.6Very low26.9Very low164 Ų164145.1 Ų145.188%0.87782%0.824SS**  -174.9158.294-103.5-25.6000112.8
1677S24.7Very low26.7Very low103 Ų103142.4 Ų142.472%0.7282%0.819SS**  trans-101.3132.4-175.954.70000113.5
1678N24.5Very low26.5Very low156 Ų156144 Ų14483%0.83482%0.822SS**  trans-171.7162.9146.5-92.9-30.9000109.2
1679Y30Very low26.8Very low236 Ų236144.7 Ų144.793%0.92582%0.822SS**  trans67.754.6-172.1-72.7-77.4000116.6
1680S23.2Very low26.6Very low103 Ų103146.9 Ų146.972%0.7283%0.825SS**  trans-80158.9140.747.50000110.6
1681Q25.5Very low26.7Very low167 Ų167147.6 Ų147.678%0.7882%0.822SS**  trans149.1-27.2130.4-78.3-169-50.300117
1682N28.3Very low26.5Very low157 Ų157151.2 Ų151.284%0.8483%0.829SS**SBendtrans-101.74.3-161.4-85.19.2000119.3
1683L29.6Very low26.4Very low175 Ų175146.4 Ų146.492%0.91682%0.82SS**SBendtrans-129.34.7172.4-92167.7000114.5
1684L26.2Very low26.6Very low162 Ų162145.6 Ų145.685%0.84881%0.814SS**  trans-106.977.9170.3-84.4164000108.8
1685A28.1Very low26.6Very low82 Ų82145.5 Ų145.568%0.67881%0.808SS**  trans-145.215.8-174.600000114.9
1686L28Very low27Very low180 Ų180144.1 Ų144.194%0.94280%0.804SS**SBendtrans-133.144.1175.3-76.7178.6000112.8
1687S25.3Very low27.6Very low98 Ų98146 Ų14669%0.68580%0.804SS**SBendtrans-140140.8160.154.70000111.2
1688E26.7Very low28.5Very low177 Ų177145.3 Ų145.383%0.82779%0.792SS**  trans51.286.1167.6-58.7-170.3-178.600119
1689T30.3Very low29.7Very low141 Ų141141.1 Ų141.187%0.86577%0.774SS**  trans-126.3124.4137.150.30000110.3H1691T1689-H1691 PolarHBondContact O-N 2.94Å
1690N25.4Very low30.6Very low149 Ų149138 Ų13880%0.79777%0.773SS**  trans-83.294-171.6-83.8-64.5000112.5
1691H27.5Very low32.4Very low190 Ų190135.1 Ų135.188%0.8875%0.75SS**  trans-137.9145.5157-83.5-57.7000112T1689 G1693T1689-H1691 PolarHBondContact O-N 2.94Å; H1691-G1693 PolarHBondContact O-N 3.11Å
1692T24.1Very low34.1Very low151 Ų151129 Ų12993%0.92672%0.722SS**  trans-79.3107.7-166.950.20000113
1693G24.6Very low35.6Very low68 Ų68125.2 Ų125.270%0.70170%0.702SS**  trans167.5123.316400000116.1H1691H1691-G1693 PolarHBondContact O-N 3.11Å
1694S28.3Very low37.4Very low106 Ų106121.5 Ų121.574%0.74168%0.679SS**  trans58.287.3159.2-167.80000118.3N1696S1694-N1696 PolarHBondContact O-N 2.88Å
1695L28.5Very low39.1Very low125 Ų125114.2 Ų114.265%0.65464%0.642SS**  trans-64.2111.2144.4-77.277000107.6T1627T1627-L1695 VanDerWaalsContact O-CD2 3.23Å; T1627-L1695 WeakPolarHBondContact O-CD2 3.41Å
1696N31.5Very low40.6Very low136 Ų136112.5 Ų112.573%0.72762%0.621SS**  trans17094.5157.2-91.7-26.5000110.1S1694S1694-N1696 PolarHBondContact O-N 2.88Å
1697K38.7Very low42.3Very low203 Ų203104.4 Ų104.488%0.88358%0.58SS**  trans158.1118.7150.3-92.4174.6178.6-157.20110.9
1698L43.4Very low44.1Very low89 Ų89100.6 Ų100.647%0.46655%0.55SS.*  trans-79.6165156-74.5165.9000109.3L1651 I1702L1651-L1698 HydrophobicContact CD1-CD1 4.47Å; L1698-I1702 HydrophobicContact CD2-CG2 4.35Å
1699P50.2Low45.5Very low68 Ų6894.1 Ų94.144%0.44252%0.521SS..  trans-62.2145.9166.2-20.734.2000111.5N1701 I1702P1699-N1701 PolarHBondContact O-N 3Å; P1699-I1702 HydrophobicContact CB-CD1 4.41Å; P1699-I1702 HydrophobicContact CB-CG1 4.42Å; P1699-I1702 HydrophobicContact CG-CD1 3.98Å; P1699-I1702 HydrophobicContact CG-CG1 4.48Å; P1699-I1702 PolarHBondContact O-N 3.24Å
1700D50Low47.2Very low171 Ų17187.4 Ų87.491%0.91448%0.48SS*.THydrogen-bonded Turntrans-63.4-7.7-172-55.1-38.1000114.9
1701N61.1Low49.1Very low43 Ų4381.9 Ų81.923%0.2345%0.448CS..THydrogen-bonded Turntrans-113.215.2175.663.4-2.3000114.1R1653 W1654 P1699R1653-N1701 CarbonylContact C-O 3.59Å; R1653-N1701 WeakPolarHBondContact CA-O 3.36Å; R1653-N1701 PolarHBondContact NE-ND2 2.89Å; R1653-N1701 PolarHBondContact NH2-ND2 3.44Å; W1654-N1701 PolarHBondContact N-O 3.11Å; P1699-N1701 PolarHBondContact O-N 3Å
1702I59.9Low50.8Low37 Ų3776 Ų7619%0.1942%0.42CS..EExtended strand (participates in β ladder)trans-117.5128.1174.6-63.8-176.8000110.2I1617 L1651 V1652 R1653 L1698 P1699I1617-I1702 HydrophobicContact CD1-CD1 3.89Å; I1617-I1702 HydrophobicContact CD1-CG1 4.11Å; I1617-I1702 HydrophobicContact CD1-CG2 3.93Å; L1651-I1702 HydrophobicContact CD1-CG2 3.79Å; L1651-I1702 HydrophobicContact CD2-CG2 4.28Å; L1651-I1702 HydrophobicContact CG-CG2 3.9Å; V1652-I1702 CarbonylContact O-C 3.57Å; V1652-I1702 VanDerWaalsContact O-CA 3.26Å; V1652-I1702 WeakPolarHBondContact O-CA 3.39Å; V1652-I1702 WeakPolarHBondContact O-CG2 3.3Å; R1653-I1702 HydrophobicContact CB-CG1 4.31Å; R1653-I1702 HydrophobicContact CG-CG1 4.27Å; L1698-I1702 HydrophobicContact CD2-CG2 4.35Å; P1699-I1702 HydrophobicContact CB-CD1 4.41Å; P1699-I1702 HydrophobicContact CB-CG1 4.42Å; P1699-I1702 HydrophobicContact CG-CD1 3.98Å; P1699-I1702 HydrophobicContact CG-CG1 4.48Å; P1699-I1702 PolarHBondContact O-N 3.24Å
1703D60.6Low52.5Low79 Ų7972.3 Ų72.342%0.42239%0.389SS..EExtended strand (participates in β ladder)trans-139.5167.1-165.9-133-23.1000111.9V1652 W1654 V1705V1652-D1703 PolarHBondContact N-O 3.4Å; V1652-D1703 PolarHBondContact O-N 3.43Å; W1654-D1703 PolarHBondContact NE1-OD2 2.83Å; D1703-V1705 HydrophobicContact CB-CG2 4.43Å
1704H66.4Low53.6Low96 Ų9678 Ų7844%0.44439%0.391SS..EExtended strand (participates in β ladder)trans-108.1112.8174.3-65.2-94.4000110.2L1620L1620-H1704 WeakPolarHBondContact CD1-ND1 3.43Å
1705V61.9Low54.1Low10 Ų1075.1 Ų75.16%0.06137%0.374CS..EExtended strand (participates in β ladder)trans-121144.1-174.1-170.40000110.5F1602 Y1650 V1652 W1654 D1703 D1709 M1710F1602-V1705 HydrophobicContact CE2-CG1 4.3Å; F1602-V1705 HydrophobicContact CZ-CB 4.38Å; F1602-V1705 HydrophobicContact CZ-CG1 4.15Å; F1602-V1705 HydrophobicContact CZ-CG2 4.33Å; Y1650-V1705 PolarHBondContact N-O 3.31Å; Y1650-V1705 PolarHBondContact O-N 2.92Å; V1652-V1705 HydrophobicContact CB-CB 4.44Å; V1652-V1705 HydrophobicContact CB-CG2 3.91Å; V1652-V1705 HydrophobicContact CG1-CG2 4.19Å; V1652-V1705 HydrophobicContact CG2-CB 3.92Å; V1652-V1705 HydrophobicContact CG2-CG2 3.94Å; W1654-V1705 HydrophobicContact CH2-CG2 4.27Å; W1654-V1705 HydrophobicContact CZ2-CG2 3.82Å; D1703-V1705 HydrophobicContact CB-CG2 4.43Å; V1705-D1709 HydrophobicContact CG1-CB 3.95Å; V1705-M1710 HydrophobicContact CB-CG 4.44Å; V1705-M1710 HydrophobicContact CB-SD 4.44Å; V1705-M1710 HydrophobicContact CG1-CG 3.68Å; V1705-M1710 HydrophobicContact CG1-SD 4.24Å
1706N60.6Low54.1Low46 Ų4677.7 Ų77.725%0.24638%0.382CS..EExtended strand (participates in β ladder)trans-91.5150.8178.4-44.1-75.9000111.4W1708 D1709 M1710N1706-W1708 HydrophobicContact CB-CD2 3.87Å; N1706-W1708 VanDerWaalsContact CB-CE2 3.41Å; N1706-W1708 HydrophobicContact CB-CE3 4.28Å; N1706-W1708 HydrophobicContact CB-CG 4.45Å; N1706-W1708 HydrophobicContact CB-CH2 3.94Å; N1706-W1708 HydrophobicContact CB-CZ2 3.47Å; N1706-W1708 VanDerWaalsContact CB-CZ2 3.47Å; N1706-W1708 HydrophobicContact CB-CZ3 4.32Å; N1706-W1708 PolarHBondContact O-N 3.3Å; N1706-D1709 WeakPolarHBondContact CB-OD2 3.25Å; N1706-D1709 PolarHBondContact ND2-OD2 2.91Å; N1706-D1709 PolarHBondContact O-N 3.48Å; N1706-M1710 WeakPolarHBondContact O-CG 3.48Å; N1706-M1710 PolarHBondContact O-N 3.24Å
1707S63.9Low54Low10 Ų1076.1 Ų76.17%0.0738%0.382CS..THydrogen-bonded Turntrans-60.2-11.9-17657.80000116.3S1591S1591-S1707 WeakPolarHBondContact CB-O 3.5Å
1708W62.4Low53.6Low17 Ų1771.6 Ų71.66%0.06437%0.371CS..THydrogen-bonded Turntrans-99.8-16.7177.455.871.4000114.6F1588 N1706 Y1711F1588-W1708 HydrophobicContact CD2-CB 3.74Å; F1588-W1708 HydrophobicContact CE2-CB 3.5Å; F1588-W1708 HydrophobicContact CE2-CD2 4.49Å; F1588-W1708 AromaticContact CE2-CG 3.96Å; F1588-W1708 HydrophobicContact CE2-CG 3.96Å; N1706-W1708 HydrophobicContact CB-CD2 3.87Å; N1706-W1708 VanDerWaalsContact CB-CE2 3.41Å; N1706-W1708 HydrophobicContact CB-CE3 4.28Å; N1706-W1708 HydrophobicContact CB-CG 4.45Å; N1706-W1708 HydrophobicContact CB-CH2 3.94Å; N1706-W1708 HydrophobicContact CB-CZ2 3.47Å; N1706-W1708 VanDerWaalsContact CB-CZ2 3.47Å; N1706-W1708 HydrophobicContact CB-CZ3 4.32Å; N1706-W1708 PolarHBondContact O-N 3.3Å; W1708-Y1711 WeakPolarHBondContact O-CE1 3.28Å; W1708-Y1711 PolarHBondContact O-OH 3.02Å
1709D56.4Low52.7Low41 Ų4175.6 Ų75.622%0.21939%0.393CS..THydrogen-bonded Turntrans-82.4-12.8169.8-51-46.4000110.3C1604 V1705 N1706C1604-D1709 PolarHBondContact SG-O 2.9Å; V1705-D1709 HydrophobicContact CG1-CB 3.95Å; N1706-D1709 WeakPolarHBondContact CB-OD2 3.25Å; N1706-D1709 PolarHBondContact ND2-OD2 2.91Å; N1706-D1709 PolarHBondContact O-N 3.48Å
1710M66.7Low51.5Low0 Ų078.4 Ų78.40%040%0.403CS..  trans-97.3121-179.1-60.6162.558.700111.2S1591 W1596 F1602 V1616 Y1650 V1705 N1706S1591-M1710 WeakPolarHBondContact CB-O 3.32Å; W1596-M1710 HydrophobicContact CB-CE 4.4Å; W1596-M1710 HydrophobicContact CD2-CE 3.5Å; W1596-M1710 VanDerWaalsContact CD2-CE 3.5Å; W1596-M1710 HydrophobicContact CE3-CE 3.58Å; W1596-M1710 HydrophobicContact CG-CE 3.88Å; W1596-M1710 HydrophobicContact CH2-CB 3.96Å; W1596-M1710 HydrophobicContact CH2-CE 4.29Å; W1596-M1710 HydrophobicContact CZ2-CB 3.64Å; W1596-M1710 HydrophobicContact CZ2-CE 4.27Å; W1596-M1710 WeakPolarHBondContact CZ2-O 3.42Å; W1596-M1710 HydrophobicContact CZ3-CE 3.99Å; F1602-M1710 HydrophobicContact CB-CB 4.1Å; F1602-M1710 HydrophobicContact CD1-CB 4.41Å; F1602-M1710 HydrophobicContact CD1-CE 3.81Å; F1602-M1710 HydrophobicContact CD1-CG 4.1Å; F1602-M1710 HydrophobicContact CD2-CB 3.74Å; F1602-M1710 HydrophobicContact CD2-CG 3.7Å; F1602-M1710 HydrophobicContact CE1-CE 4.01Å; F1602-M1710 HydrophobicContact CE1-CG 4.02Å; F1602-M1710 HydrophobicContact CE1-SD 4.45Å; F1602-M1710 HydrophobicContact CE2-CB 4.18Å; F1602-M1710 HydrophobicContact CE2-CG 3.63Å; F1602-M1710 HydrophobicContact CG-CB 3.85Å; F1602-M1710 HydrophobicContact CG-CE 4.29Å; F1602-M1710 HydrophobicContact CG-CG 3.93Å; F1602-M1710 HydrophobicContact CZ-CG 3.76Å; V1616-M1710 HydrophobicContact CG2-CE 3.33Å; Y1650-M1710 HydrophobicContact CD2-SD 4.21Å; Y1650-M1710 HydrophobicContact CG-CE 4.5Å; Y1650-M1710 HydrophobicContact CG-SD 4.41Å; V1705-M1710 HydrophobicContact CB-CG 4.44Å; V1705-M1710 HydrophobicContact CB-SD 4.44Å; V1705-M1710 HydrophobicContact CG1-CG 3.68Å; V1705-M1710 HydrophobicContact CG1-SD 4.24Å; N1706-M1710 WeakPolarHBondContact O-CG 3.48Å; N1706-M1710 PolarHBondContact O-N 3.24Å
1711Y65.4Low50.4Low34 Ų3477.3 Ų77.313%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-111.5126.8170.6-55.7-54.5000111.1I1583 I1587 F1602 I1603 P1605 W1611 W1708 W1713I1583-Y1711 WeakPolarHBondContact CD1-OH 3.37Å; I1587-Y1711 HydrophobicContact CG2-CD1 3.6Å; I1587-Y1711 HydrophobicContact CG2-CE1 3.22Å; I1587-Y1711 HydrophobicContact CG2-CE2 4.39Å; I1587-Y1711 HydrophobicContact CG2-CG 4.4Å; F1602-Y1711 CarbonylContact C-O 3.14Å; F1602-Y1711 WeakPolarHBondContact CA-O 3.4Å; F1602-Y1711 VanDerWaalsContact CB-O 3.32Å; F1602-Y1711 WeakPolarHBondContact CB-O 3.45Å; I1603-Y1711 PolarHBondContact N-O 3.45Å; I1603-Y1711 PolarHBondContact O-N 2.98Å; P1605-Y1711 HydrophobicContact CG-CE2 4.01Å; W1611-Y1711 AromaticContact CZ3-CD2 3.96Å; W1611-Y1711 HydrophobicContact CZ3-CD2 3.96Å; W1708-Y1711 WeakPolarHBondContact O-CE1 3.28Å; W1708-Y1711 PolarHBondContact O-OH 3.02Å; Y1711-W1713 PolarHBondContact O-N 3.21Å; Y1711-W1713 VanDerWaalsContact O-N 3.14Å
1712K63.1Low48.7Very low66 Ų6685.1 Ų85.129%0.28743%0.429SS..EExtended strand (participates in β ladder)trans-56.3122.7-174.3-168.4172-172.293.70110.1Q1594 W1596 D1600 Y1714Q1594-K1712 HydrophobicContact CG-CD 4.45Å; W1596-K1712 HydrophobicContact CH2-CB 3.99Å; D1600-K1712 IonicContact OD1-NZ 2.7Å; D1600-K1712 PolarHBondContact OD1-NZ 3.43Å; K1712-Y1714 HydrophobicContact CB-CE2 4.17Å; K1712-Y1714 WeakPolarHBondContact O-CD2 3.32Å; K1712-Y1714 PolarHBondContact O-N 3.5Å
1713W58.7Low47Very low73 Ų7387 Ų8728%0.27746%0.458SS..  trans-76.893.1-177-175.553.6000109.1L1601 I1603 C1661 Y1711 A1715L1601-W1713 HydrophobicContact CB-CB 4.34Å; L1601-W1713 HydrophobicContact CB-CE3 4.12Å; L1601-W1713 HydrophobicContact CD1-CE3 4.13Å; L1601-W1713 HydrophobicContact CD1-CZ3 4.26Å; L1601-W1713 PolarHBondContact O-N 3.08Å; I1603-W1713 HydrophobicContact CG2-CB 4.31Å; I1603-W1713 HydrophobicContact CG2-CG 4.05Å; C1661-W1713 HydrophobicContact CB-CH2 4.21Å; C1661-W1713 HydrophobicContact CB-CZ3 3.6Å; C1661-W1713 WeakPolarHBondContact SG-CZ3 3.49Å; Y1711-W1713 PolarHBondContact O-N 3.21Å; Y1711-W1713 VanDerWaalsContact O-N 3.14Å; W1713-A1715 HydrophobicContact CD2-CB 4.18Å; W1713-A1715 HydrophobicContact CE3-CB 3.99Å; W1713-A1715 HydrophobicContact CH2-CB 3.94Å; W1713-A1715 HydrophobicContact CZ2-CB 4.1Å; W1713-A1715 HydrophobicContact CZ3-CB 3.86Å; W1713-A1715 PolarHBondContact O-N 3.37Å
1714Y48.2Very low45.4Very low188 Ų18888.2 Ų88.274%0.73747%0.472SS*.  trans-71.276.8168.2-65.5-80.9000109.3K1712 E1716K1712-Y1714 HydrophobicContact CB-CE2 4.17Å; K1712-Y1714 WeakPolarHBondContact O-CD2 3.32Å; K1712-Y1714 PolarHBondContact O-N 3.5Å; Y1714-E1716 PolarHBondContact O-N 2.71Å
1715A38.4Very low43.5Very low46 Ų4689 Ų8938%0.3848%0.484SS..  trans-57.9130.8158.200000108.3W1713 S1717W1713-A1715 HydrophobicContact CD2-CB 4.18Å; W1713-A1715 HydrophobicContact CE3-CB 3.99Å; W1713-A1715 HydrophobicContact CH2-CB 3.94Å; W1713-A1715 HydrophobicContact CZ2-CB 4.1Å; W1713-A1715 HydrophobicContact CZ3-CB 3.86Å; W1713-A1715 PolarHBondContact O-N 3.37Å; A1715-S1717 PolarHBondContact O-N 2.58Å
1716E28.8Very low41.7Very low179 Ų17995.5 Ų95.584%0.83652%0.518SS*.  trans-7478.8175.7-71.3-171.4123.900110.7Y1714 V1718Y1714-E1716 PolarHBondContact O-N 2.71Å; E1716-V1718 VanDerWaalsContact O-CG2 3.32Å; E1716-V1718 WeakPolarHBondContact O-CG2 3.27Å
1717S29.5Very low40.1Very low103 Ų10399.4 Ų99.472%0.7254%0.544SS*.  trans-85.795.5136.757.10000106.2A1715A1715-S1717 PolarHBondContact O-N 2.58Å
1718V28.9Very low38.3Very low107 Ų107102.2 Ų102.265%0.64857%0.568SS**  46.988.369.8-175.90000109.2E1716 I1720E1716-V1718 VanDerWaalsContact O-CG2 3.32Å; E1716-V1718 WeakPolarHBondContact O-CG2 3.27Å; V1718-I1720 HydrophobicContact CG1-CD1 4.01Å; V1718-I1720 HydrophobicContact CG1-CG1 4.12Å; V1718-I1720 PolarHBondContact O-N 3.48Å
1719D26.4Very low36.6Very low174 Ų174109 Ų10993%0.9361%0.606SS**  trans-58.295.7-177.4-80.3-58.4000112.2
1720I25.2Very low35Very low126 Ų126111.6 Ų111.665%0.64663%0.627SS**  trans-136.7122.1171-50.4179.6000110.4V1718V1718-I1720 HydrophobicContact CG1-CD1 4.01Å; V1718-I1720 HydrophobicContact CG1-CG1 4.12Å; V1718-I1720 PolarHBondContact O-N 3.48Å
1721N25.6Very low33Very low149 Ų149118.7 Ų118.780%0.79766%0.66SS**SBendtrans79122.7-176.5-48.3-62.8000114.6
1722K26.1Very low31.1Very low206 Ų206125.3 Ų125.390%0.89669%0.69SS**  cis-113.5109.818.5-68.3173.3-177.7168.70113
1723G23.6Very low29.2Very low77 Ų77127.8 Ų127.879%0.79471%0.71SS**  trans-86.2114.816200000111
1724S26.4Very low27.7Very low104 Ų104132.6 Ų132.673%0.72774%0.741SS**  trans-150111163.761.20000110.1
1725T27.4Very low26.4Very low114 Ų114134.2 Ų134.270%0.69975%0.747SS**SBendcis-157.9139.72.527.30000110.9
1726N24.6Very low25.7Very low145 Ų145135.9 Ų135.978%0.77577%0.768SS**  trans70.1140.8145.5-58.63.7000117
1727T26.6Very low25.6Very low129 Ų129131.1 Ų131.179%0.79177%0.768SS**  cis-162.5156.6725.10000107.5
1728A26.6Very low25.5Very low69 Ų69134.4 Ų134.457%0.5778%0.776SS**  cis-168.8166.8-1000000109.5
1729D25.6Very low25.3Very low160 Ų160135.2 Ų135.286%0.85678%0.781SS**  trans54.9136.2155-48.5-25.1000119.5
1730S23.1Very low25.2Very low95 Ų95134.4 Ų134.466%0.66478%0.777SS**  cis-156.6-167.3-355.90000108.4
1731E24.5Very low25.1Very low148 Ų148131.5 Ų131.569%0.69278%0.778SS**  cis-164.7175.210.2-145155.8-74.200112.6
1732F26.2Very low25.1Very low173 Ų173134.9 Ų134.976%0.75978%0.781SS**  trans70156.2162.4-91.4-75.7000122.3
1733T23Very low25.1Very low118 Ų118131 Ų13172%0.72478%0.775SS**  trans-151.4162-15448.60000111.6
1734L26.5Very low25.4Very low174 Ų174135 Ų13591%0.91177%0.772SS**  trans-157.4155.3145.2-115.3165.9000111.4
1735Y22.2Very low25.8Very low223 Ų223132.5 Ų132.588%0.87575%0.75SS**  trans-138.4149.1-169.7-127.9-92.7000109.2
1736G23.5Very low26.3Very low80 Ų80129.2 Ų129.283%0.82573%0.732SS**  trans109.3131.9151.300000117.6
1737G26.4Very low26.9Very low80 Ų80127 Ų12783%0.82572%0.717SS**  trans128.584.7166.300000114.7
1738L26.5Very low27.6Very low172 Ų172125.6 Ų125.690%0.90170%0.701SS**  trans-84.2151.6154.6-77.283.8000109
1739V25.4Very low28.2Very low124 Ų124126.5 Ų126.575%0.75269%0.694SS**  -177.4134.2125.4144.50000108.8
1740D23.8Very low28.9Very low156 Ų156121.6 Ų121.683%0.83467%0.667SS**  trans45.1138.4163.2-55.8-13.9000122.7
1741G24.4Very low29.8Very low65 Ų65117.8 Ų117.867%0.6764%0.64SS**SBendtrans101.595.6152.400000116.8
1742Y23.9Very low30.6Very low221 Ų221115.5 Ų115.587%0.86763%0.632SS**  trans57.4128.3167.2-63.3-89.6000117.2H1744Y1742-H1744 PolarHBondContact O-N 2.93Å
1743V27.6Very low31.2Very low125 Ų125112.1 Ų112.176%0.75862%0.621SS**  trans-74.376159.9-175.50000108.1I1745V1743-I1745 HydrophobicContact CG1-CG1 4.37Å; V1743-I1745 PolarHBondContact O-N 3.1Å
1744H29.5Very low32.1Very low161 Ų161108.8 Ų108.875%0.74560%0.596SS**  trans-70.984.6175.6-151.1-36.9000107.7Y1742 S1746Y1742-H1744 PolarHBondContact O-N 2.93Å; H1744-S1746 PolarHBondContact O-N 3.1Å
1745I34Very low32.8Very low50 Ų50101.1 Ų101.126%0.25656%0.559SS.*  trans-52.9117.1179.1-53.2178.9000107V1743 Q1749 I1750V1743-I1745 HydrophobicContact CG1-CG1 4.37Å; V1743-I1745 PolarHBondContact O-N 3.1Å; I1745-Q1749 HydrophobicContact CG2-CB 3.66Å; I1745-I1750 HydrophobicContact CB-CG1 4.36Å; I1745-I1750 HydrophobicContact CG2-CD1 4.46Å; I1745-I1750 HydrophobicContact CG2-CG1 3.68Å
1746S38.7Very low33.7Very low46 Ų4691.4 Ų91.432%0.32252%0.523SS..  trans-66.7149.7-174.779.90000109.2H1744 E1748 Q1749 I1750H1744-S1746 PolarHBondContact O-N 3.1Å; S1746-E1748 PolarHBondContact O-N 3.1Å; S1746-Q1749 WeakPolarHBondContact O-CA 3.21Å; S1746-Q1749 WeakPolarHBondContact O-CB 3.14Å; S1746-Q1749 PolarHBondContact O-N 2.9Å; S1746-Q1749 WeakPolarHBondContact OG-CG 3.15Å; S1746-Q1749 PolarHBondContact OG-N 2.96Å; S1746-I1750 PolarHBondContact O-N 3.07Å; S1746-I1750 VanDerWaalsContact O-N 3.08Å
1747H36.4Very low34.5Very low98 Ų9889.3 Ų89.345%0.45450%0.495SS..Hα-helixtrans-56.7-30.1178.5-16494000111.4I1750 C1751 N1823H1747-I1750 PolarHBondContact O-N 3.12Å; H1747-C1751 PolarHBondContact O-N 2.84Å; H1747-C1751 VanDerWaalsContact O-N 3.1Å; H1747-C1751 PolarHBondContact O-SG 2.86Å; H1747-N1823 PolarHBondContact CE1-O 3.14Å; H1747-N1823 PolarHBondContact NE2-O 2.96Å
1748E41.1Very low35.2Very low99 Ų9992.7 Ų92.746%0.46349%0.487SS..Hα-helixtrans-65.7-39.8173.4-50.5-17115800112.8S1746 C1751 L1752 L1770S1746-E1748 PolarHBondContact O-N 3.1Å; E1748-C1751 PolarHBondContact O-N 2.67Å; E1748-L1752 PolarHBondContact O-N 2.88Å; E1748-L1752 VanDerWaalsContact O-N 3.13Å; E1748-L1770 HydrophobicContact CB-CD1 4.36Å; E1748-L1770 HydrophobicContact CG-CD1 3.84Å; E1748-L1770 HydrophobicContact CG-CD2 4.05Å; E1748-L1770 WeakPolarHBondContact OE1-CD1 3.34Å
1749Q40.6Very low36Very low89 Ų8991.9 Ų91.942%0.41647%0.474SS..Hα-helixtrans-68.2-35.8174.4-74.9170.1-38.400112.4I1745 S1746 L1752 L1753I1745-Q1749 HydrophobicContact CG2-CB 3.66Å; S1746-Q1749 WeakPolarHBondContact O-CA 3.21Å; S1746-Q1749 WeakPolarHBondContact O-CB 3.14Å; S1746-Q1749 PolarHBondContact O-N 2.9Å; S1746-Q1749 WeakPolarHBondContact OG-CG 3.15Å; S1746-Q1749 PolarHBondContact OG-N 2.96Å; Q1749-L1752 WeakPolarHBondContact O-CB 3.35Å; Q1749-L1752 PolarHBondContact O-N 2.79Å; Q1749-L1753 PolarHBondContact O-N 3.41Å
1750I40.4Very low37Very low56 Ų5687.2 Ų87.229%0.28744%0.442SS..Hα-helixtrans-65.1-41.9173.8-59.7178.9000110.5I1745 S1746 H1747 L1752 L1753 Y1754I1745-I1750 HydrophobicContact CB-CG1 4.36Å; I1745-I1750 HydrophobicContact CG2-CD1 4.46Å; I1745-I1750 HydrophobicContact CG2-CG1 3.68Å; S1746-I1750 PolarHBondContact O-N 3.07Å; S1746-I1750 VanDerWaalsContact O-N 3.08Å; H1747-I1750 PolarHBondContact O-N 3.12Å; I1750-L1752 VanDerWaalsContact C-N 3.27Å; I1750-L1752 PolarHBondContact O-N 2.78Å; I1750-L1753 PolarHBondContact O-N 3.42Å; I1750-Y1754 HydrophobicContact CG2-CD2 3.88Å; I1750-Y1754 HydrophobicContact CG2-CE2 3.87Å; I1750-Y1754 WeakPolarHBondContact O-CD2 3.48Å; I1750-Y1754 PolarHBondContact O-N 2.77Å
1751C41.1Very low37.9Very low16 Ų1688.2 Ų88.211%0.10845%0.448CS..Hα-helixtrans-61.4-34.2174-65.80000113H1747 E1748 G1755 T1756 Y1769H1747-C1751 PolarHBondContact O-N 2.84Å; H1747-C1751 VanDerWaalsContact O-N 3.1Å; H1747-C1751 PolarHBondContact O-SG 2.86Å; E1748-C1751 PolarHBondContact O-N 2.67Å; C1751-G1755 PolarHBondContact O-N 2.79Å; C1751-T1756 PolarHBondContact O-OG1 2.94Å; C1751-Y1769 HydrophobicContact CB-CE1 4.36Å
1752L40.7Very low38.7Very low100 Ų10087.7 Ų87.752%0.52443%0.432SS..Hα-helixtrans-67.2-47.9175-83.2162.7000112.4E1748 Q1749 I1750 Y1754 G1755 P1766E1748-L1752 PolarHBondContact O-N 2.88Å; E1748-L1752 VanDerWaalsContact O-N 3.13Å; Q1749-L1752 WeakPolarHBondContact O-CB 3.35Å; Q1749-L1752 PolarHBondContact O-N 2.79Å; I1750-L1752 VanDerWaalsContact C-N 3.27Å; I1750-L1752 PolarHBondContact O-N 2.78Å; L1752-Y1754 VanDerWaalsContact C-N 3.32Å; L1752-Y1754 PolarHBondContact O-N 2.75Å; L1752-G1755 WeakPolarHBondContact O-CA 3.32Å; L1752-G1755 PolarHBondContact O-N 2.84Å; L1752-P1766 HydrophobicContact CD1-CB 4.45Å; L1752-P1766 HydrophobicContact CD1-CG 4.38Å; L1752-P1766 HydrophobicContact CD2-CB 3.99Å; L1752-P1766 HydrophobicContact CD2-CG 3.98Å; L1752-P1766 HydrophobicContact CG-CB 4.13Å; L1752-P1766 HydrophobicContact CG-CG 4.4Å
1753L38.8Very low39.5Very low101 Ų10182.3 Ų82.353%0.52942%0.422SS..Hα-helixtrans-56.4-42.9177.2-81.4163.3000112.5Q1749 I1750 G1755Q1749-L1753 PolarHBondContact O-N 3.41Å; I1750-L1753 PolarHBondContact O-N 3.42Å; L1753-G1755 VanDerWaalsContact C-N 3.25Å; L1753-G1755 PolarHBondContact O-N 2.76Å
1754Y43.1Very low40.1Very low48 Ų4882.3 Ų82.319%0.18842%0.418CS..THydrogen-bonded Turntrans-79-4.4176.3-71.3-67.1000114.2L1584 I1587 I1750 L1752 T1756L1584-Y1754 HydrophobicContact CD1-CD1 3.36Å; L1584-Y1754 HydrophobicContact CD1-CE1 3.59Å; L1584-Y1754 HydrophobicContact CD1-CG 4.45Å; I1587-Y1754 HydrophobicContact CD1-CD1 3.76Å; I1587-Y1754 HydrophobicContact CD1-CE1 3.61Å; I1750-Y1754 HydrophobicContact CG2-CD2 3.88Å; I1750-Y1754 HydrophobicContact CG2-CE2 3.87Å; I1750-Y1754 WeakPolarHBondContact O-CD2 3.48Å; I1750-Y1754 PolarHBondContact O-N 2.77Å; L1752-Y1754 VanDerWaalsContact C-N 3.32Å; L1752-Y1754 PolarHBondContact O-N 2.75Å; Y1754-T1756 VanDerWaalsContact C-N 3.34Å; Y1754-T1756 PolarHBondContact O-N 2.91Å
1755G40.7Very low41Very low14 Ų1480.4 Ų80.414%0.14441%0.409CS..THydrogen-bonded Turntrans60.138.317000000114.4R1586 C1751 L1752 L1753 S1757R1586-G1755 PolarHBondContact NH1-O 2.95Å; C1751-G1755 PolarHBondContact O-N 2.79Å; L1752-G1755 WeakPolarHBondContact O-CA 3.32Å; L1752-G1755 PolarHBondContact O-N 2.84Å; L1753-G1755 VanDerWaalsContact C-N 3.25Å; L1753-G1755 PolarHBondContact O-N 2.76Å; G1755-S1757 PolarHBondContact O-N 3.07Å
1756T41.2Very low41.8Very low19 Ų1980.4 Ų80.412%0.11741%0.412CS..G310 helixtrans-61.7-21.6-174.556.40000114.2C1751 Y1754 K1758 Y1759 R1827C1751-T1756 PolarHBondContact O-OG1 2.94Å; Y1754-T1756 VanDerWaalsContact C-N 3.34Å; Y1754-T1756 PolarHBondContact O-N 2.91Å; T1756-K1758 PolarHBondContact O-N 2.95Å; T1756-Y1759 PolarHBondContact O-N 2.86Å; T1756-R1827 HydrophobicContact CG2-CG 4.45Å
1757S41.2Very low42.7Very low35 Ų3583 Ų8325%0.24543%0.426CS..G310 helixtrans-57.93-176.8-170.50000117G1755 N1764 H1765G1755-S1757 PolarHBondContact O-N 3.07Å; S1757-N1764 VanDerWaalsContact OG-CA 3.24Å; S1757-N1764 WeakPolarHBondContact OG-CA 3.4Å; S1757-N1764 PolarHBondContact OG-O 3.33Å; S1757-H1765 PolarHBondContact OG-N 3.42Å
1758K40.5Very low43.8Very low151 Ų15179.5 Ų79.566%0.65741%0.414SS*.G310 helixtrans-105.8-4.4178.5-93.5-172.5174.2-179.30115.5T1756T1756-K1758 PolarHBondContact O-N 2.95Å
1759Y42.7Very low44.9Very low156 Ų15675.4 Ų75.461%0.61240%0.395SS*.SBendtrans-125.810.1-172.4-70-77.5000115.4T1756T1756-Y1759 PolarHBondContact O-N 2.86Å
1760W46.3Very low46.2Very low25 Ų2572.7 Ų72.710%0.09538%0.383CS..SBendtrans-115.1133.5154-61.873.5000105.8T1762 Y1769 E1772 L1776 R1827W1760-T1762 PolarHBondContact O-N 3.4Å; W1760-Y1769 AromaticContact CD1-CD2 3.91Å; W1760-Y1769 HydrophobicContact CG-CD2 4.45Å; W1760-Y1769 AromaticContact NE1-CD2 3.87Å; W1760-Y1769 AromaticContact NE1-CE2 3.58Å; W1760-E1772 HydrophobicContact CE3-CG 3.82Å; W1760-E1772 HydrophobicContact CZ3-CG 3.95Å; W1760-L1776 HydrophobicContact CH2-CD1 3.93Å; W1760-L1776 HydrophobicContact CZ3-CD1 3.82Å; W1760-R1827 PolarHBondContact NE1-O 3.46Å
1761D44.1Very low47.7Very low177 Ų17772.8 Ų72.895%0.94739%0.392SS*.SBendtrans-68.79-164.8-78.1-47.2000115.6
1762T40.8Very low49.3Very low55 Ų5572.8 Ų72.834%0.33739%0.39SS..SBendtrans-10676.3-176.552.90000113.2W1760 A1768W1760-T1762 PolarHBondContact O-N 3.4Å; T1762-A1768 WeakPolarHBondContact O-CB 3.33Å
1763T39.5Very low51.1Low108 Ų10869 Ų6966%0.66337%0.37SS*.  trans4884.1148.157.70000118.9H1765T1763-H1765 PolarHBondContact O-N 3.49Å
1764N41.2Very low53.1Low125 Ų12570.2 Ų70.267%0.66837%0.371SS*.SBendtrans52-3.3145-73.9-3.9000121.9S1757S1757-N1764 VanDerWaalsContact OG-CA 3.24Å; S1757-N1764 WeakPolarHBondContact OG-CA 3.4Å; S1757-N1764 PolarHBondContact OG-O 3.33Å
1765H48.5Very low55.1Low121 Ų12169.1 Ų69.156%0.5637%0.367SS*.  trans-121138.2-176.6-70-79.8000112.3S1757 T1763 T1767 A1768S1757-H1765 PolarHBondContact OG-N 3.42Å; T1763-H1765 PolarHBondContact O-N 3.49Å; H1765-T1767 PolarHBondContact O-N 3.03Å; H1765-A1768 WeakPolarHBondContact O-CB 3.36Å; H1765-A1768 PolarHBondContact O-N 2.94Å; H1765-A1768 VanDerWaalsContact O-N 3.11Å
1766P51.2Low57.2Low49 Ų4968.5 Ų68.532%0.31836%0.36SS..Hα-helixtrans-62.7-28.4-178.227.8-37.2000113L1752 A1768 Y1769 L1770L1752-P1766 HydrophobicContact CD1-CB 4.45Å; L1752-P1766 HydrophobicContact CD1-CG 4.38Å; L1752-P1766 HydrophobicContact CD2-CB 3.99Å; L1752-P1766 HydrophobicContact CD2-CG 3.98Å; L1752-P1766 HydrophobicContact CG-CB 4.13Å; L1752-P1766 HydrophobicContact CG-CG 4.4Å; P1766-A1768 PolarHBondContact O-N 2.88Å; P1766-Y1769 PolarHBondContact O-N 2.9Å; P1766-L1770 PolarHBondContact O-N 3.47Å
1767T55.9Low59.4Low102 Ų10268.8 Ų68.863%0.62636%0.362SS*.Hα-helixtrans-61.4-29.7176.649.20000113.3H1765 A1771H1765-T1767 PolarHBondContact O-N 3.03Å; T1767-A1771 WeakPolarHBondContact O-CB 3.48Å; T1767-A1771 PolarHBondContact O-N 2.92Å
1768A60.8Low61.4Low24 Ų2472.3 Ų72.320%0.19837%0.374CS..Hα-helixtrans-69.8-42.2177.500000111.8T1762 H1765 P1766 A1771 E1772T1762-A1768 WeakPolarHBondContact O-CB 3.33Å; H1765-A1768 WeakPolarHBondContact O-CB 3.36Å; H1765-A1768 PolarHBondContact O-N 2.94Å; H1765-A1768 VanDerWaalsContact O-N 3.11Å; P1766-A1768 PolarHBondContact O-N 2.88Å; A1768-A1771 PolarHBondContact O-N 3.4Å; A1768-E1772 WeakPolarHBondContact O-CB 3.26Å; A1768-E1772 PolarHBondContact O-N 2.79Å
1769Y64.6Low63.6Low13 Ų1365.1 Ų65.15%0.05134%0.343CS..Hα-helixtrans-62-43.4176176.9-113000111.8C1751 W1760 P1766 E1772 I1773 G1824 Y1826C1751-Y1769 HydrophobicContact CB-CE1 4.36Å; W1760-Y1769 AromaticContact CD1-CD2 3.91Å; W1760-Y1769 HydrophobicContact CG-CD2 4.45Å; W1760-Y1769 AromaticContact NE1-CD2 3.87Å; W1760-Y1769 AromaticContact NE1-CE2 3.58Å; P1766-Y1769 PolarHBondContact O-N 2.9Å; Y1769-E1772 PolarHBondContact O-N 3.26Å; Y1769-I1773 HydrophobicContact CD1-CD1 4Å; Y1769-I1773 HydrophobicContact CD2-CD1 4.41Å; Y1769-I1773 HydrophobicContact CE1-CD1 3.49Å; Y1769-I1773 VanDerWaalsContact CE1-CD1 3.49Å; Y1769-I1773 HydrophobicContact CE2-CD1 3.96Å; Y1769-I1773 HydrophobicContact CE2-CG1 4.45Å; Y1769-I1773 HydrophobicContact CG-CD1 4.45Å; Y1769-I1773 VanDerWaalsContact CZ-CD1 3.49Å; Y1769-I1773 PolarHBondContact O-N 2.88Å; Y1769-G1824 PolarHBondContact OH-O 2.74Å; Y1769-Y1826 PolarHBondContact OH-O 3.48Å; Y1769-Y1826 VanDerWaalsContact OH-O 3.12Å
1770L66.7Low65.8Low32 Ų3258 Ų5817%0.16832%0.316CS..Hα-helixtrans-69.1-34.1178.6-66161.1000112.8E1748 P1766 K1774E1748-L1770 HydrophobicContact CB-CD1 4.36Å; E1748-L1770 HydrophobicContact CG-CD1 3.84Å; E1748-L1770 HydrophobicContact CG-CD2 4.05Å; E1748-L1770 WeakPolarHBondContact OE1-CD1 3.34Å; P1766-L1770 PolarHBondContact O-N 3.47Å; L1770-K1774 WeakPolarHBondContact O-CD 3.38Å; L1770-K1774 VanDerWaalsContact O-CG 3.28Å; L1770-K1774 WeakPolarHBondContact O-CG 3.38Å; L1770-K1774 PolarHBondContact O-N 2.86Å; L1770-K1774 VanDerWaalsContact O-N 3.15Å
1771A72Confident67.7Low57 Ų5759.3 Ų59.347%0.47133%0.326SS..Hα-helixtrans-68-41.6172.300000111.7T1767 A1768 K1774 R1775T1767-A1771 WeakPolarHBondContact O-CB 3.48Å; T1767-A1771 PolarHBondContact O-N 2.92Å; A1768-A1771 PolarHBondContact O-N 3.4Å; A1771-K1774 PolarHBondContact O-N 3.12Å; A1771-R1775 WeakPolarHBondContact O-CB 3.43Å; A1771-R1775 PolarHBondContact O-N 2.87Å
1772E74.7Confident69.7Low17 Ų1753 Ų538%0.07929%0.291CS..Hα-helixtrans-67.9-40.7178.8-178.461.2-176.300112.3W1760 A1768 Y1769 R1775 L1776W1760-E1772 HydrophobicContact CE3-CG 3.82Å; W1760-E1772 HydrophobicContact CZ3-CG 3.95Å; A1768-E1772 WeakPolarHBondContact O-CB 3.26Å; A1768-E1772 PolarHBondContact O-N 2.79Å; Y1769-E1772 PolarHBondContact O-N 3.26Å; E1772-R1775 PolarHBondContact O-N 2.82Å; E1772-R1775 IonicContact OE1-CZ 3.72Å; E1772-R1775 IonicContact OE1-NE 2.93Å; E1772-R1775 IonicContact OE1-NH2 2.72Å; E1772-R1775 PolarHBondContact OE1-NH2 2.97Å; E1772-R1775 IonicContact OE2-CZ 3.4Å; E1772-R1775 IonicContact OE2-NE 3.98Å; E1772-R1775 PolarHBondContact OE2-NE 3.32Å; E1772-R1775 IonicContact OE2-NH2 3.05Å; E1772-R1775 PolarHBondContact OE2-NH2 3.18Å; E1772-L1776 HydrophobicContact CG-CD1 4.17Å; E1772-L1776 WeakPolarHBondContact O-CB 3.32Å; E1772-L1776 WeakPolarHBondContact O-CG 3.4Å; E1772-L1776 PolarHBondContact O-N 3.28Å
1773I78.6Confident72Confident19 Ų1950.6 Ų50.610%0.09728%0.276CS..Hα-helixtrans-56.8-51169-77.5171.4000110.5Y1769 R1775 L1776 V1777 L1821Y1769-I1773 HydrophobicContact CD1-CD1 4Å; Y1769-I1773 HydrophobicContact CD2-CD1 4.41Å; Y1769-I1773 HydrophobicContact CE1-CD1 3.49Å; Y1769-I1773 VanDerWaalsContact CE1-CD1 3.49Å; Y1769-I1773 HydrophobicContact CE2-CD1 3.96Å; Y1769-I1773 HydrophobicContact CE2-CG1 4.45Å; Y1769-I1773 HydrophobicContact CG-CD1 4.45Å; Y1769-I1773 VanDerWaalsContact CZ-CD1 3.49Å; Y1769-I1773 PolarHBondContact O-N 2.88Å; I1773-R1775 VanDerWaalsContact C-N 3.32Å; I1773-R1775 PolarHBondContact O-N 3.34Å; I1773-L1776 PolarHBondContact O-N 2.85Å; I1773-L1776 VanDerWaalsContact O-N 3.15Å; I1773-V1777 HydrophobicContact CG2-CG2 4.19Å; I1773-V1777 VanDerWaalsContact O-CG2 3.3Å; I1773-V1777 WeakPolarHBondContact O-CG2 3.47Å; I1773-V1777 PolarHBondContact O-N 3.06Å; I1773-L1821 HydrophobicContact CG1-CD1 4.48Å; I1773-L1821 HydrophobicContact CG2-CG 4.44Å; I1773-L1821 WeakPolarHBondContact CG2-O 3.43Å
1774K80.1Confident74.3Confident128 Ų12846.8 Ų46.856%0.55725%0.251SS*.Hα-helixtrans-59.8-42.1-179.1-74.8168.3-176.81710111.9L1770 A1771 V1777 E1778L1770-K1774 WeakPolarHBondContact O-CD 3.38Å; L1770-K1774 VanDerWaalsContact O-CG 3.28Å; L1770-K1774 WeakPolarHBondContact O-CG 3.38Å; L1770-K1774 PolarHBondContact O-N 2.86Å; L1770-K1774 VanDerWaalsContact O-N 3.15Å; A1771-K1774 PolarHBondContact O-N 3.12Å; K1774-V1777 PolarHBondContact O-N 2.99Å; K1774-E1778 PolarHBondContact O-N 3.35Å
1775R85.7Confident76.5Confident24 Ų2447.5 Ų47.59%0.09125%0.25CS..Hα-helixtrans-59.8-46.5174.1-169.7-170.469.575-3.5111.9A1771 E1772 I1773 E1778 C1779 C1867 N1870 V1872A1771-R1775 WeakPolarHBondContact O-CB 3.43Å; A1771-R1775 PolarHBondContact O-N 2.87Å; E1772-R1775 PolarHBondContact O-N 2.82Å; E1772-R1775 IonicContact OE1-CZ 3.72Å; E1772-R1775 IonicContact OE1-NE 2.93Å; E1772-R1775 IonicContact OE1-NH2 2.72Å; E1772-R1775 PolarHBondContact OE1-NH2 2.97Å; E1772-R1775 IonicContact OE2-CZ 3.4Å; E1772-R1775 IonicContact OE2-NE 3.98Å; E1772-R1775 PolarHBondContact OE2-NE 3.32Å; E1772-R1775 IonicContact OE2-NH2 3.05Å; E1772-R1775 PolarHBondContact OE2-NH2 3.18Å; I1773-R1775 VanDerWaalsContact C-N 3.32Å; I1773-R1775 PolarHBondContact O-N 3.34Å; R1775-E1778 PolarHBondContact O-N 3.11Å; R1775-C1779 PolarHBondContact O-N 2.98Å; R1775-C1779 PolarHBondContact O-SG 2.87Å; R1775-C1867 PolarHBondContact NH1-O 2.86Å; R1775-C1867 PolarHBondContact NH2-O 3.24Å; R1775-N1870 PolarHBondContact NH1-O 3.38Å; R1775-N1870 PolarHBondContact NH2-O 2.99Å; R1775-V1872 WeakPolarHBondContact CD-O 3.49Å; R1775-V1872 VanDerWaalsContact CG-O 3.25Å; R1775-V1872 WeakPolarHBondContact CG-O 3.41Å; R1775-V1872 PolarHBondContact NH1-O 3.37Å
1776L85.5Confident78.3Confident1 Ų142.4 Ų42.41%0.00523%0.227CC..Hα-helixtrans-68.4-33.8178.5-71.9169.8000112.3W1760 E1772 I1773 C1779 I1780 L1821 M1832 C1867 I1868W1760-L1776 HydrophobicContact CH2-CD1 3.93Å; W1760-L1776 HydrophobicContact CZ3-CD1 3.82Å; E1772-L1776 HydrophobicContact CG-CD1 4.17Å; E1772-L1776 WeakPolarHBondContact O-CB 3.32Å; E1772-L1776 WeakPolarHBondContact O-CG 3.4Å; E1772-L1776 PolarHBondContact O-N 3.28Å; I1773-L1776 PolarHBondContact O-N 2.85Å; I1773-L1776 VanDerWaalsContact O-N 3.15Å; L1776-C1779 PolarHBondContact O-N 2.64Å; L1776-I1780 WeakPolarHBondContact O-CG1 3.42Å; L1776-I1780 PolarHBondContact O-N 3.37Å; L1776-L1821 HydrophobicContact CB-CD1 4.09Å; L1776-L1821 HydrophobicContact CB-CD2 3.43Å; L1776-L1821 VanDerWaalsContact CB-CD2 3.43Å; L1776-L1821 HydrophobicContact CB-CG 4.36Å; L1776-L1821 HydrophobicContact CD1-CD1 4.2Å; L1776-M1832 HydrophobicContact CD1-SD 4.21Å; L1776-M1832 HydrophobicContact CD2-CE 4.46Å; L1776-C1867 HydrophobicContact CD2-CB 4.4Å; L1776-C1867 WeakPolarHBondContact CD2-O 3.3Å; L1776-I1868 HydrophobicContact CD2-CG1 4.19Å
1777V86.1Confident79.7Confident25 Ų2546.7 Ų46.715%0.15225%0.247CC..Hα-helixtrans-61.6-48.8173.4165.60000110I1773 K1774 C1779 I1780 T1781 L1818 L1821 L1822I1773-V1777 HydrophobicContact CG2-CG2 4.19Å; I1773-V1777 VanDerWaalsContact O-CG2 3.3Å; I1773-V1777 WeakPolarHBondContact O-CG2 3.47Å; I1773-V1777 PolarHBondContact O-N 3.06Å; K1774-V1777 PolarHBondContact O-N 2.99Å; V1777-C1779 PolarHBondContact O-N 3.22Å; V1777-I1780 PolarHBondContact O-N 2.9Å; V1777-T1781 VanDerWaalsContact O-CB 3.25Å; V1777-T1781 WeakPolarHBondContact O-CB 3.22Å; V1777-T1781 PolarHBondContact O-N 2.84Å; V1777-T1781 PolarHBondContact O-OG1 3.49Å; V1777-L1818 HydrophobicContact CG1-CD1 4.19Å; V1777-L1821 HydrophobicContact CB-CD2 4.28Å; V1777-L1821 HydrophobicContact CG2-CD2 3.59Å; V1777-L1821 HydrophobicContact CG2-CG 4.09Å; V1777-L1821 VanDerWaalsContact N-CD2 3.28Å; V1777-L1822 HydrophobicContact CB-CD2 4.46Å; V1777-L1822 HydrophobicContact CG1-CD2 3.76Å; V1777-L1822 HydrophobicContact CG1-CG 4.41Å; V1777-L1822 HydrophobicContact CG2-CD2 3.76Å; V1777-L1822 HydrophobicContact CG2-CG 4.01Å
1778E84.8Confident81.2Confident109 Ų10942.5 Ų42.551%0.50922%0.221SC..Hα-helixtrans-59.1-45.1174.8-72.5179.3-167.900111.7K1774 R1775 T1781 Q1782K1774-E1778 PolarHBondContact O-N 3.35Å; R1775-E1778 PolarHBondContact O-N 3.11Å; E1778-T1781 PolarHBondContact O-N 3.3Å; E1778-Q1782 PolarHBondContact O-N 2.99Å
1779C85.8Confident82.4Confident0 Ų041.3 Ų41.30%021%0.212CC..Hα-helixtrans-59.9-51.2177.9-75.40000113R1775 L1776 V1777 T1781 Q1782 I1783 C1867 V1872 V1877R1775-C1779 PolarHBondContact O-N 2.98Å; R1775-C1779 PolarHBondContact O-SG 2.87Å; L1776-C1779 PolarHBondContact O-N 2.64Å; V1777-C1779 PolarHBondContact O-N 3.22Å; C1779-T1781 VanDerWaalsContact C-N 3.32Å; C1779-T1781 PolarHBondContact O-N 2.89Å; C1779-Q1782 PolarHBondContact O-N 3.28Å; C1779-I1783 WeakPolarHBondContact O-CG1 3.36Å; C1779-I1783 PolarHBondContact O-N 2.74Å; C1779-C1867 HydrophobicContact CB-CB 3.74Å; C1779-V1872 PolarHBondContact SG-O 3.16Å; C1779-V1877 HydrophobicContact CB-CG2 4.4Å
1780I88.3Confident83.3Confident8 Ų848 Ų484%0.04124%0.244CC..Hα-helixtrans-62.2-42.8177.5-62.1166.9000110.1L1776 V1777 Q1782 I1783 M1784 I1817 L1818 L1821 M1832L1776-I1780 WeakPolarHBondContact O-CG1 3.42Å; L1776-I1780 PolarHBondContact O-N 3.37Å; V1777-I1780 PolarHBondContact O-N 2.9Å; I1780-Q1782 VanDerWaalsContact C-N 3.28Å; I1780-Q1782 PolarHBondContact O-N 3.49Å; I1780-I1783 WeakPolarHBondContact O-CB 3.26Å; I1780-I1783 PolarHBondContact O-N 3.39Å; I1780-M1784 HydrophobicContact CG2-CG 4.28Å; I1780-M1784 HydrophobicContact CG2-SD 3.77Å; I1780-M1784 WeakPolarHBondContact O-CG 3.34Å; I1780-M1784 PolarHBondContact O-N 2.83Å; I1780-I1817 HydrophobicContact CD1-CG2 4.05Å; I1780-L1818 HydrophobicContact CB-CD1 4.07Å; I1780-L1818 HydrophobicContact CD1-CD1 4.49Å; I1780-L1818 HydrophobicContact CG2-CB 4.05Å; I1780-L1818 HydrophobicContact CG2-CD1 4.04Å; I1780-L1821 HydrophobicContact CD1-CB 4.44Å; I1780-L1821 HydrophobicContact CD1-CD2 3.59Å; I1780-M1832 HydrophobicContact CD1-CE 3.65Å; I1780-M1832 HydrophobicContact CG1-CE 4.02Å
1781T87.4Confident84.1Confident51 Ų5151 Ų5131%0.31326%0.257SS..Hα-helixtrans-61.4-36.2179-55.90000111.8V1777 E1778 C1779 Q1785V1777-T1781 VanDerWaalsContact O-CB 3.25Å; V1777-T1781 WeakPolarHBondContact O-CB 3.22Å; V1777-T1781 PolarHBondContact O-N 2.84Å; V1777-T1781 PolarHBondContact O-OG1 3.49Å; E1778-T1781 PolarHBondContact O-N 3.3Å; C1779-T1781 VanDerWaalsContact C-N 3.32Å; C1779-T1781 PolarHBondContact O-N 2.89Å; T1781-Q1785 WeakPolarHBondContact O-CG 3.41Å; T1781-Q1785 PolarHBondContact O-N 3.4Å
1782Q85.4Confident84.9Confident45 Ų4549.1 Ų49.121%0.2124%0.238CC..Hα-helixtrans-72.4-36171.4-71.6-149.119.300113E1778 C1779 I1780 M1784 Q1785 G1874 D1875E1778-Q1782 PolarHBondContact O-N 2.99Å; C1779-Q1782 PolarHBondContact O-N 3.28Å; I1780-Q1782 VanDerWaalsContact C-N 3.28Å; I1780-Q1782 PolarHBondContact O-N 3.49Å; Q1782-M1784 VanDerWaalsContact C-N 3.3Å; Q1782-M1784 PolarHBondContact O-N 2.88Å; Q1782-Q1785 PolarHBondContact O-N 3.47Å; Q1782-Q1785 VanDerWaalsContact O-N 3.14Å; Q1782-G1874 VanDerWaalsContact NE2-C 3.31Å; Q1782-G1874 PolarHBondContact OE1-O 2.87Å; Q1782-D1875 PolarHBondContact NE2-OD1 3.08Å; Q1782-D1875 VanDerWaalsContact NE2-OD1 3.14Å
1783I89.2Confident85.4Confident4 Ų450.2 Ų50.22%0.02124%0.244CC..Hα-helixtrans-59.9-42.6172.3-66.9171.2000110.4C1779 I1780 Q1785 L1786 S1789 L1814 V1860 L1863 V1877C1779-I1783 WeakPolarHBondContact O-CG1 3.36Å; C1779-I1783 PolarHBondContact O-N 2.74Å; I1780-I1783 WeakPolarHBondContact O-CB 3.26Å; I1780-I1783 PolarHBondContact O-N 3.39Å; I1783-Q1785 PolarHBondContact O-N 3.02Å; I1783-L1786 WeakPolarHBondContact O-CB 3.32Å; I1783-L1786 WeakPolarHBondContact O-CG 3.47Å; I1783-L1786 PolarHBondContact O-N 3.3Å; I1783-L1786 VanDerWaalsContact O-N 3.13Å; I1783-S1789 VanDerWaalsContact O-CB 3.25Å; I1783-S1789 WeakPolarHBondContact O-CB 3.41Å; I1783-S1789 PolarHBondContact O-OG 3.44Å; I1783-L1814 HydrophobicContact CG2-CD1 4.34Å; I1783-V1860 HydrophobicContact CG2-CG1 4.28Å; I1783-V1860 HydrophobicContact CG2-CG2 4.47Å; I1783-L1863 HydrophobicContact CD1-CB 3.87Å; I1783-L1863 HydrophobicContact CG1-CB 4.17Å; I1783-V1877 HydrophobicContact CG1-CG1 3.66Å
1784M88.6Confident85.5Confident28 Ų2853.3 Ų53.314%0.13826%0.261CS..THydrogen-bonded Turntrans-67.9-11.7177.7-68.4169.173.100114.1I1780 Q1782 I1793 L1814 N1815 L1818I1780-M1784 HydrophobicContact CG2-CG 4.28Å; I1780-M1784 HydrophobicContact CG2-SD 3.77Å; I1780-M1784 WeakPolarHBondContact O-CG 3.34Å; I1780-M1784 PolarHBondContact O-N 2.83Å; Q1782-M1784 VanDerWaalsContact C-N 3.3Å; Q1782-M1784 PolarHBondContact O-N 2.88Å; M1784-I1793 HydrophobicContact CB-CG1 4.2Å; M1784-I1793 HydrophobicContact CE-CG1 4.45Å; M1784-I1793 HydrophobicContact CE-CG2 3.97Å; M1784-I1793 HydrophobicContact CG-CG1 4.29Å; M1784-I1793 VanDerWaalsContact O-CD1 3.25Å; M1784-I1793 WeakPolarHBondContact O-CD1 3.28Å; M1784-L1814 HydrophobicContact CE-CB 4.41Å; M1784-L1814 HydrophobicContact CG-CB 3.81Å; M1784-L1814 HydrophobicContact CG-CD1 3.87Å; M1784-L1814 HydrophobicContact CG-CG 4.44Å; M1784-L1814 HydrophobicContact SD-CB 3.99Å; M1784-N1815 WeakPolarHBondContact CE-OD1 3.41Å; M1784-L1818 HydrophobicContact CE-CD2 4.22Å; M1784-L1818 HydrophobicContact SD-CB 4.32Å; M1784-L1818 HydrophobicContact SD-CD2 3.81Å
1785Q86Confident85.5Confident140 Ų14051.3 Ų51.365%0.65426%0.26SS*.THydrogen-bonded Turntrans-91.20.2173.4-70.6171.529.300113.4T1781 Q1782 I1783T1781-Q1785 WeakPolarHBondContact O-CG 3.41Å; T1781-Q1785 PolarHBondContact O-N 3.4Å; Q1782-Q1785 PolarHBondContact O-N 3.47Å; Q1782-Q1785 VanDerWaalsContact O-N 3.14Å; I1783-Q1785 PolarHBondContact O-N 3.02Å
1786L86.7Confident85.2Confident14 Ų1452.5 Ų52.57%0.07327%0.27CS..SBendtrans-90.9137.1177.8-52.3178000110.9I1783 I1788 S1789 L1863 L1878 Y1881I1783-L1786 WeakPolarHBondContact O-CB 3.32Å; I1783-L1786 WeakPolarHBondContact O-CG 3.47Å; I1783-L1786 PolarHBondContact O-N 3.3Å; I1783-L1786 VanDerWaalsContact O-N 3.13Å; L1786-I1788 HydrophobicContact CB-CG1 3.85Å; L1786-I1788 HydrophobicContact CD1-CD1 4.43Å; L1786-I1788 HydrophobicContact CD1-CG1 4.48Å; L1786-I1788 PolarHBondContact O-N 2.85Å; L1786-S1789 WeakPolarHBondContact O-CB 3.48Å; L1786-S1789 PolarHBondContact O-N 3.35Å; L1786-L1863 HydrophobicContact CD1-CD1 3.74Å; L1786-L1878 HydrophobicContact CD2-CD1 3.7Å; L1786-Y1881 HydrophobicContact CB-CE1 4.4Å; L1786-Y1881 HydrophobicContact CD1-CD1 3.99Å; L1786-Y1881 HydrophobicContact CD1-CD2 3.87Å; L1786-Y1881 HydrophobicContact CD1-CE1 4.39Å; L1786-Y1881 HydrophobicContact CD1-CE2 4.3Å; L1786-Y1881 HydrophobicContact CD1-CG 3.68Å; L1786-Y1881 HydrophobicContact CD2-CD1 3.7Å; L1786-Y1881 HydrophobicContact CD2-CE1 3.87Å; L1786-Y1881 HydrophobicContact CD2-CG 4.26Å; L1786-Y1881 HydrophobicContact CG-CD1 4.35Å; L1786-Y1881 HydrophobicContact CG-CE1 4.44Å
1787D82Confident84.7Confident139 Ų13957.3 Ų57.374%0.74330%0.296SS*.G310 helixtrans-53.6-31.7179.6-52.6-22.4000113.3S1789 E1790D1787-S1789 PolarHBondContact O-N 3.11Å; D1787-E1790 PolarHBondContact O-N 3.18Å
1788I86.1Confident84Confident14 Ų1460.1 Ų60.17%0.07231%0.31CS..G310 helixtrans-64.4-23.1176.255.1156.7000113.7L1786 N1856 L1859 V1860 L1863 Y1881L1786-I1788 HydrophobicContact CB-CG1 3.85Å; L1786-I1788 HydrophobicContact CD1-CD1 4.43Å; L1786-I1788 HydrophobicContact CD1-CG1 4.48Å; L1786-I1788 PolarHBondContact O-N 2.85Å; I1788-N1856 HydrophobicContact CB-CB 4.18Å; I1788-L1859 HydrophobicContact CD1-CB 3.69Å; I1788-L1859 HydrophobicContact CD1-CD1 4.23Å; I1788-L1859 HydrophobicContact CG2-CD1 4.36Å; I1788-V1860 HydrophobicContact CD1-CG2 4.19Å; I1788-L1863 HydrophobicContact CD1-CD1 4.17Å; I1788-Y1881 HydrophobicContact CB-CE2 4.36Å; I1788-Y1881 HydrophobicContact CD1-CD2 3.82Å; I1788-Y1881 HydrophobicContact CD1-CE2 3.47Å; I1788-Y1881 VanDerWaalsContact CD1-CE2 3.47Å; I1788-Y1881 HydrophobicContact CG1-CD2 4.33Å; I1788-Y1881 HydrophobicContact CG1-CE2 3.58Å; I1788-Y1881 HydrophobicContact CG2-CE2 3.87Å
1789S86.7Confident82.9Confident0 Ų059.4 Ų59.40%032%0.322CS..G310 helixtrans-89.3-11.3-174.4-57.50000112.8I1783 L1786 D1787 Q1791 F1792 I1793I1783-S1789 VanDerWaalsContact O-CB 3.25Å; I1783-S1789 WeakPolarHBondContact O-CB 3.41Å; I1783-S1789 PolarHBondContact O-OG 3.44Å; L1786-S1789 WeakPolarHBondContact O-CB 3.48Å; L1786-S1789 PolarHBondContact O-N 3.35Å; D1787-S1789 PolarHBondContact O-N 3.11Å; S1789-Q1791 PolarHBondContact O-N 2.91Å; S1789-F1792 CarbonylContact O-C 3.51Å; S1789-F1792 PolarHBondContact O-N 3.43Å; S1789-I1793 WeakPolarHBondContact O-CG1 3.39Å; S1789-I1793 PolarHBondContact O-N 3.1Å; S1789-I1793 VanDerWaalsContact O-N 3.14Å
1790E83.7Confident81.9Confident154 Ų15462.2 Ų62.272%0.7235%0.346SS*.G310 helixtrans-50.4-37.4-174.1-172.3177.7-151.300112.8D1787 F1792D1787-E1790 PolarHBondContact O-N 3.18Å; E1790-F1792 VanDerWaalsContact C-N 3.31Å; E1790-F1792 PolarHBondContact O-N 2.98Å
1791Q81.9Confident81.3Confident95 Ų9567.5 Ų67.544%0.44437%0.366SS..G310 helixtrans-78.1-8.9-179.1-64.7175.2-28.700114.6S1789S1789-Q1791 PolarHBondContact O-N 2.91Å
1792F88.8Confident80.3Confident16 Ų1668.7 Ų68.77%0.0737%0.374CS..G310 helixtrans-123.7-0.2-175.4-48.9-71.7000113.4S1789 E1790 N1794 L1814 L1839 T1843 I1853 N1856 A1857 V1860S1789-F1792 CarbonylContact O-C 3.51Å; S1789-F1792 PolarHBondContact O-N 3.43Å; E1790-F1792 VanDerWaalsContact C-N 3.31Å; E1790-F1792 PolarHBondContact O-N 2.98Å; F1792-N1794 VanDerWaalsContact C-N 3.33Å; F1792-L1814 HydrophobicContact CB-CD1 4.1Å; F1792-L1814 HydrophobicContact CB-CG 4.23Å; F1792-L1814 WeakPolarHBondContact O-CB 3.25Å; F1792-L1814 WeakPolarHBondContact O-CG 3.25Å; F1792-L1814 PolarHBondContact O-N 3.48Å; F1792-L1839 HydrophobicContact CB-CD1 4.5Å; F1792-L1839 HydrophobicContact CD1-CD2 3.92Å; F1792-L1839 HydrophobicContact CE1-CD2 4.48Å; F1792-L1839 HydrophobicContact CG-CD2 4.25Å; F1792-T1843 HydrophobicContact CE1-CG2 4.06Å; F1792-T1843 HydrophobicContact CZ-CG2 4.3Å; F1792-I1853 HydrophobicContact CE1-CG2 4.23Å; F1792-I1853 HydrophobicContact CZ-CG2 3.83Å; F1792-I1853 WeakPolarHBondContact CZ-O 3.42Å; F1792-N1856 HydrophobicContact CE2-CB 3.85Å; F1792-N1856 HydrophobicContact CZ-CB 4.45Å; F1792-A1857 HydrophobicContact CE1-CB 3.95Å; F1792-A1857 HydrophobicContact CE2-CB 4.27Å; F1792-A1857 HydrophobicContact CZ-CB 3.66Å; F1792-V1860 HydrophobicContact CD2-CG2 4.19Å
1793I85.2Confident79.6Confident40 Ų4071.1 Ų71.121%0.20539%0.389CS..SBendtrans-67.2-35.4177.5-73.9164.9000111.5M1784 S1789 N1815M1784-I1793 HydrophobicContact CB-CG1 4.2Å; M1784-I1793 HydrophobicContact CE-CG1 4.45Å; M1784-I1793 HydrophobicContact CE-CG2 3.97Å; M1784-I1793 HydrophobicContact CG-CG1 4.29Å; M1784-I1793 VanDerWaalsContact O-CD1 3.25Å; M1784-I1793 WeakPolarHBondContact O-CD1 3.28Å; S1789-I1793 WeakPolarHBondContact O-CG1 3.39Å; S1789-I1793 PolarHBondContact O-N 3.1Å; S1789-I1793 VanDerWaalsContact O-N 3.14Å; I1793-N1815 VanDerWaalsContact O-CB 3.28Å; I1793-N1815 WeakPolarHBondContact O-CB 3.37Å; I1793-N1815 VanDerWaalsContact O-CG 3.24Å; I1793-N1815 PolarHBondContact O-N 2.85Å; I1793-N1815 PolarHBondContact O-ND2 3.29Å
1794N82.4Confident79Confident85 Ų8571.8 Ų71.846%0.45539%0.391SS..SBendtrans-124.2160.9-173.4-67-46.2000110.7F1792 D1813 N1815F1792-N1794 VanDerWaalsContact C-N 3.33Å; N1794-D1813 VanDerWaalsContact C-OD2 3.24Å; N1794-D1813 VanDerWaalsContact CA-OD2 3.26Å; N1794-D1813 WeakPolarHBondContact CA-OD2 3.4Å; N1794-N1815 PolarHBondContact OD1-ND2 3.04Å; N1794-N1815 VanDerWaalsContact OD1-ND2 3.11Å
1795P78.7Confident78.1Confident85 Ų8573.4 Ų73.455%0.55240%0.4SS*.  trans-63.4151.1172.627.5-36.2000112D1813P1795-D1813 VanDerWaalsContact CD-OD2 3.27Å; P1795-D1813 WeakPolarHBondContact CD-OD2 3.28Å
1796V80.7Confident77Confident49 Ų4975.6 Ų75.630%0.29741%0.408SS..  trans-65.3133.1178.9177.70000110.9L1798 Y1801 Y1804V1796-L1798 PolarHBondContact O-N 3.27Å; V1796-L1798 VanDerWaalsContact O-N 3.1Å; V1796-Y1801 HydrophobicContact CG1-CD2 3.66Å; V1796-Y1801 HydrophobicContact CG1-CG 4.12Å; V1796-Y1804 HydrophobicContact CB-CD1 4.06Å; V1796-Y1804 HydrophobicContact CB-CE1 4.05Å; V1796-Y1804 HydrophobicContact CB-CG 4.33Å; V1796-Y1804 HydrophobicContact CG1-CD1 4.29Å; V1796-Y1804 HydrophobicContact CG1-CD2 4.21Å; V1796-Y1804 HydrophobicContact CG1-CG 4.06Å; V1796-Y1804 HydrophobicContact CG2-CD1 4.29Å; V1796-Y1804 HydrophobicContact CG2-CD2 4.43Å; V1796-Y1804 HydrophobicContact CG2-CE1 3.83Å; V1796-Y1804 HydrophobicContact CG2-CE2 3.99Å
1797D75.2Confident76Confident102 Ų10278.7 Ų78.755%0.54542%0.424SS..  trans-67.6106.9176.2-1781.3000111.2A1799 A1800 Y1801D1797-A1799 PolarHBondContact O-N 2.87Å; D1797-A1799 WeakPolarHBondContact OD1-CB 3.43Å; D1797-A1799 PolarHBondContact OD1-N 3Å; D1797-A1800 HydrophobicContact CB-CB 4.2Å; D1797-A1800 PolarHBondContact O-N 3.36Å; D1797-A1800 VanDerWaalsContact O-N 3.13Å; D1797-Y1801 PolarHBondContact O-N 3.43Å
1798L71.5Confident75.6Confident84 Ų8472 Ų7244%0.4439%0.388SS..THydrogen-bonded Turntrans-68.4-18.3-179.7-55.4178.4000113.3V1796 Y1801 P1802 L1805V1796-L1798 PolarHBondContact O-N 3.27Å; V1796-L1798 VanDerWaalsContact O-N 3.1Å; L1798-Y1801 CarbonylContact O-C 3.5Å; L1798-P1802 VanDerWaalsContact O-CA 3.28Å; L1798-P1802 WeakPolarHBondContact O-CA 3.41Å; L1798-L1805 HydrophobicContact CD1-CD1 3.63Å; L1798-L1805 HydrophobicContact CD1-CG 4.41Å; L1798-L1805 HydrophobicContact CD2-CD1 3.9Å; L1798-L1805 HydrophobicContact CD2-CD2 4.45Å; L1798-L1805 HydrophobicContact CD2-CG 3.75Å; L1798-L1805 HydrophobicContact CG-CD1 4.41Å
1799A60.7Low74.3Confident94 Ų9475 Ų7578%0.77741%0.406SS*.THydrogen-bonded Turntrans-78-26.8172.900000111.9D1797D1797-A1799 PolarHBondContact O-N 2.87Å; D1797-A1799 WeakPolarHBondContact OD1-CB 3.43Å; D1797-A1799 PolarHBondContact OD1-N 3Å
1800A63.9Low73.5Confident59 Ų5977.5 Ų77.549%0.48842%0.416SS..THydrogen-bonded Turntrans-87.5-32172.700000112.7D1797D1797-A1800 HydrophobicContact CB-CB 4.2Å; D1797-A1800 PolarHBondContact O-N 3.36Å; D1797-A1800 VanDerWaalsContact O-N 3.13Å
1801Y76.4Confident73.1Confident120 Ų12072.9 Ų72.947%0.47140%0.4SS..  trans-131.265.8-175.4-57.8-75.8000112V1796 D1797 L1798 D1803 Y1804 Y1846V1796-Y1801 HydrophobicContact CG1-CD2 3.66Å; V1796-Y1801 HydrophobicContact CG1-CG 4.12Å; D1797-Y1801 PolarHBondContact O-N 3.43Å; L1798-Y1801 CarbonylContact O-C 3.5Å; Y1801-D1803 PolarHBondContact O-N 3.21Å; Y1801-Y1804 WeakPolarHBondContact O-CB 3.14Å; Y1801-Y1804 PolarHBondContact O-N 3.04Å; Y1801-Y1846 AromaticContact CD1-CE1 3.92Å; Y1801-Y1846 HydrophobicContact CD1-CE1 3.92Å; Y1801-Y1846 HydrophobicContact CG-CE1 4.44Å
1802P66.2Low73.2Confident75 Ų7569.2 Ų69.249%0.48738%0.384SS..THydrogen-bonded Turntrans-59.8-33-175.823.5-34000113.2L1798 Y1804L1798-P1802 VanDerWaalsContact O-CA 3.28Å; L1798-P1802 WeakPolarHBondContact O-CA 3.41Å; P1802-Y1804 PolarHBondContact O-N 2.88Å
1803D70.7Confident73.1Confident96 Ų9669.3 Ų69.351%0.51339%0.385SS..THydrogen-bonded Turntrans-64.8-17.7178.3-58.414000113.4Y1801 L1805 F1806 I1807 Y1846Y1801-D1803 PolarHBondContact O-N 3.21Å; D1803-L1805 PolarHBondContact O-N 3.01Å; D1803-F1806 PolarHBondContact O-N 3.05Å; D1803-I1807 PolarHBondContact O-N 3.47Å; D1803-Y1846 HydrophobicContact CB-CE2 4.12Å
1804Y77.1Confident73.3Confident18 Ų1867.6 Ų67.67%0.07138%0.376CS..Hα-helixtrans-60.1-43-169.2-170.3-100000113V1796 Y1801 P1802 F1806 I1807 N1808 P1811 Y1846V1796-Y1804 HydrophobicContact CB-CD1 4.06Å; V1796-Y1804 HydrophobicContact CB-CE1 4.05Å; V1796-Y1804 HydrophobicContact CB-CG 4.33Å; V1796-Y1804 HydrophobicContact CG1-CD1 4.29Å; V1796-Y1804 HydrophobicContact CG1-CD2 4.21Å; V1796-Y1804 HydrophobicContact CG1-CG 4.06Å; V1796-Y1804 HydrophobicContact CG2-CD1 4.29Å; V1796-Y1804 HydrophobicContact CG2-CD2 4.43Å; V1796-Y1804 HydrophobicContact CG2-CE1 3.83Å; V1796-Y1804 HydrophobicContact CG2-CE2 3.99Å; Y1801-Y1804 WeakPolarHBondContact O-CB 3.14Å; Y1801-Y1804 PolarHBondContact O-N 3.04Å; P1802-Y1804 PolarHBondContact O-N 2.88Å; Y1804-F1806 VanDerWaalsContact C-N 3.32Å; Y1804-F1806 PolarHBondContact O-N 3.31Å; Y1804-I1807 PolarHBondContact O-N 3Å; Y1804-N1808 HydrophobicContact CE1-CB 4.32Å; Y1804-N1808 VanDerWaalsContact CE2-ND2 3.29Å; Y1804-N1808 WeakPolarHBondContact CE2-ND2 3.26Å; Y1804-N1808 WeakPolarHBondContact O-CB 3.43Å; Y1804-N1808 PolarHBondContact O-N 3.3Å; Y1804-P1811 HydrophobicContact CE1-CB 4.31Å; Y1804-Y1846 AromaticContact CD2-CD1 3.76Å; Y1804-Y1846 HydrophobicContact CD2-CD1 3.76Å; Y1804-Y1846 AromaticContact CD2-CD2 3.67Å; Y1804-Y1846 HydrophobicContact CD2-CD2 3.67Å; Y1804-Y1846 HydrophobicContact CD2-CE1 4.03Å; Y1804-Y1846 AromaticContact CD2-CE2 3.97Å; Y1804-Y1846 HydrophobicContact CD2-CE2 3.97Å; Y1804-Y1846 AromaticContact CD2-CG 3.57Å; Y1804-Y1846 HydrophobicContact CD2-CG 3.57Å; Y1804-Y1846 HydrophobicContact CE2-CD1 4.15Å; Y1804-Y1846 HydrophobicContact CE2-CD2 4.39Å; Y1804-Y1846 AromaticContact CE2-CG 3.93Å; Y1804-Y1846 HydrophobicContact CE2-CG 3.93Å; Y1804-Y1846 HydrophobicContact CG-CD2 4.48Å
1805L69.9Low73.4Confident63 Ų6365.8 Ų65.833%0.3337%0.367SS..Hα-helixtrans-74.2-19.6177.9-69.2177.1000114L1798 D1803 P1811L1798-L1805 HydrophobicContact CD1-CD1 3.63Å; L1798-L1805 HydrophobicContact CD1-CG 4.41Å; L1798-L1805 HydrophobicContact CD2-CD1 3.9Å; L1798-L1805 HydrophobicContact CD2-CD2 4.45Å; L1798-L1805 HydrophobicContact CD2-CG 3.75Å; L1798-L1805 HydrophobicContact CG-CD1 4.41Å; D1803-L1805 PolarHBondContact O-N 3.01Å; L1805-P1811 HydrophobicContact CD2-CB 4.34Å; L1805-P1811 HydrophobicContact CD2-CG 3.79Å
1806F62.2Low73.6Confident185 Ų18565 Ų6581%0.81136%0.355SS*.Hα-helixtrans-78.5-27.8174.6-68.8-82.3000112D1803 Y1804D1803-F1806 PolarHBondContact O-N 3.05Å; Y1804-F1806 VanDerWaalsContact C-N 3.32Å; Y1804-F1806 PolarHBondContact O-N 3.31Å
1807I66.2Low73.9Confident79 Ų7962.8 Ų62.841%0.40534%0.341SS..Hα-helixtrans-92.1-40.8177.4-64.8175.7000111.1D1803 Y1804 R1845 Y1846D1803-I1807 PolarHBondContact O-N 3.47Å; Y1804-I1807 PolarHBondContact O-N 3Å; I1807-R1845 HydrophobicContact CG2-CB 4.18Å; I1807-Y1846 HydrophobicContact CB-CD2 4.14Å; I1807-Y1846 HydrophobicContact CD1-CD2 3.8Å; I1807-Y1846 HydrophobicContact CD1-CE2 3.92Å; I1807-Y1846 HydrophobicContact CG1-CD2 4.5Å; I1807-Y1846 HydrophobicContact CG2-CD2 4.26Å
1808N73.1Confident74.5Confident0 Ų058.8 Ų58.80%032%0.319CS..  trans-116.497.7-176.3-68.4-29.7000111.6Y1804 Y1810 N1842 R1845Y1804-N1808 HydrophobicContact CE1-CB 4.32Å; Y1804-N1808 VanDerWaalsContact CE2-ND2 3.29Å; Y1804-N1808 WeakPolarHBondContact CE2-ND2 3.26Å; Y1804-N1808 WeakPolarHBondContact O-CB 3.43Å; Y1804-N1808 PolarHBondContact O-N 3.3Å; N1808-Y1810 PolarHBondContact O-N 3.09Å; N1808-N1842 HydrophobicContact CB-CB 4.4Å; N1808-N1842 WeakPolarHBondContact ND2-CA 3.3Å; N1808-N1842 PolarHBondContact ND2-O 3.13Å; N1808-R1845 WeakPolarHBondContact OD1-CB 3.34Å; N1808-R1845 WeakPolarHBondContact OD1-CD 3.11Å
1809V59.3Low74.7Confident75 Ų7558.4 Ų58.446%0.45532%0.318SS..SBendtrans-64.5-23.5-179.4-167.40000112.8P1811V1809-P1811 WeakPolarHBondContact O-CD 3.4Å
1810Y69.5Low75.5Confident54 Ų5455.5 Ų55.521%0.21229%0.287CS..SBendtrans-121.975.3-176-55.4-48.8000112.1T1409 Y1410 N1808 V1812 N1842T1409-Y1810 VanDerWaalsContact CA-OH 3.29Å; T1409-Y1810 WeakPolarHBondContact CA-OH 3.21Å; T1409-Y1810 WeakPolarHBondContact CB-OH 3.39Å; T1409-Y1810 VanDerWaalsContact CG2-OH 3.26Å; T1409-Y1810 WeakPolarHBondContact CG2-OH 3.21Å; Y1410-Y1810 AromaticContact CD2-CD1 3.9Å; Y1410-Y1810 HydrophobicContact CD2-CD1 3.9Å; Y1410-Y1810 AromaticContact CD2-CE1 3.81Å; Y1410-Y1810 HydrophobicContact CD2-CE1 3.81Å; Y1410-Y1810 HydrophobicContact CG-CE1 4.31Å; Y1410-Y1810 PolarHBondContact N-OH 3.38Å; N1808-Y1810 PolarHBondContact O-N 3.09Å; Y1810-V1812 PolarHBondContact O-N 3.47Å; Y1810-N1842 PolarHBondContact O-ND2 3.04Å; Y1810-N1842 PolarHBondContact O-OD1 3.21Å
1811P76.6Confident76.3Confident56 Ų5652.7 Ų52.736%0.36426%0.264SS..  trans-57.9126171.127.4-36.2000110.2Y1804 L1805 V1809Y1804-P1811 HydrophobicContact CE1-CB 4.31Å; L1805-P1811 HydrophobicContact CD2-CB 4.34Å; L1805-P1811 HydrophobicContact CD2-CG 3.79Å; V1809-P1811 WeakPolarHBondContact O-CD 3.4Å
1812V82.3Confident76.3Confident18 Ų1851.2 Ų51.211%0.10926%0.264CS..  trans-138.1132.1177.8175.90000108.1Y1810 F1816 I1817 D1835 Q1838 L1839Y1810-V1812 PolarHBondContact O-N 3.47Å; V1812-F1816 HydrophobicContact CG1-CD1 4.19Å; V1812-I1817 HydrophobicContact CG1-CD1 3.8Å; V1812-I1817 HydrophobicContact CG1-CG1 3.87Å; V1812-D1835 HydrophobicContact CG1-CB 4.42Å; V1812-Q1838 HydrophobicContact CG2-CB 4.34Å; V1812-Q1838 HydrophobicContact CG2-CG 4.06Å; V1812-L1839 HydrophobicContact CB-CB 4.45Å; V1812-L1839 HydrophobicContact CG1-CB 4.24Å
1813D88.1Confident76.4Confident19 Ų1951.5 Ų51.510%0.10226%0.261CS..  trans-129.9169.9176.172.9-39.6000110.8N1794 P1795 N1815 F1816 I1817N1794-D1813 VanDerWaalsContact C-OD2 3.24Å; N1794-D1813 VanDerWaalsContact CA-OD2 3.26Å; N1794-D1813 WeakPolarHBondContact CA-OD2 3.4Å; P1795-D1813 VanDerWaalsContact CD-OD2 3.27Å; P1795-D1813 WeakPolarHBondContact CD-OD2 3.28Å; D1813-N1815 PolarHBondContact O-N 3.38Å; D1813-N1815 WeakPolarHBondContact OD2-CB 3.41Å; D1813-F1816 PolarHBondContact O-N 3.42Å; D1813-F1816 WeakPolarHBondContact OD1-CB 3.37Å; D1813-F1816 PolarHBondContact OD1-N 2.95Å; D1813-F1816 VanDerWaalsContact OD1-N 3.14Å; D1813-I1817 PolarHBondContact O-N 3.14Å
1814L88.7Confident76.3Confident4 Ų447.3 Ų47.32%0.02124%0.241CC..Hα-helixtrans-69.2-31.5-176.6-66.7172.8000112.5I1783 M1784 F1792 I1817 L1818 L1839 V1860I1783-L1814 HydrophobicContact CG2-CD1 4.34Å; M1784-L1814 HydrophobicContact CE-CB 4.41Å; M1784-L1814 HydrophobicContact CG-CB 3.81Å; M1784-L1814 HydrophobicContact CG-CD1 3.87Å; M1784-L1814 HydrophobicContact CG-CG 4.44Å; M1784-L1814 HydrophobicContact SD-CB 3.99Å; F1792-L1814 HydrophobicContact CB-CD1 4.1Å; F1792-L1814 HydrophobicContact CB-CG 4.23Å; F1792-L1814 WeakPolarHBondContact O-CB 3.25Å; F1792-L1814 WeakPolarHBondContact O-CG 3.25Å; F1792-L1814 PolarHBondContact O-N 3.48Å; L1814-I1817 PolarHBondContact O-N 3.36Å; L1814-L1818 VanDerWaalsContact O-CB 3.27Å; L1814-L1818 WeakPolarHBondContact O-CB 3.35Å; L1814-L1818 PolarHBondContact O-N 3Å; L1814-L1839 HydrophobicContact CD2-CD1 4.21Å; L1814-L1839 HydrophobicContact CG-CD1 4.3Å; L1814-V1860 HydrophobicContact CD1-CG1 4.18Å; L1814-V1860 HydrophobicContact CD2-CG1 3.9Å; L1814-V1860 HydrophobicContact CG-CG1 4.48Å
1815N84.9Confident75.6Confident47 Ų4750.1 Ų50.125%0.25125%0.252SS..Hα-helixtrans-64.2-41.1172.5-94-41000111.7M1784 I1793 N1794 D1813 L1818 N1819M1784-N1815 WeakPolarHBondContact CE-OD1 3.41Å; I1793-N1815 VanDerWaalsContact O-CB 3.28Å; I1793-N1815 WeakPolarHBondContact O-CB 3.37Å; I1793-N1815 VanDerWaalsContact O-CG 3.24Å; I1793-N1815 PolarHBondContact O-N 2.85Å; I1793-N1815 PolarHBondContact O-ND2 3.29Å; N1794-N1815 PolarHBondContact OD1-ND2 3.04Å; N1794-N1815 VanDerWaalsContact OD1-ND2 3.11Å; D1813-N1815 PolarHBondContact O-N 3.38Å; D1813-N1815 WeakPolarHBondContact OD2-CB 3.41Å; N1815-L1818 PolarHBondContact O-N 3.29Å; N1815-N1819 VanDerWaalsContact O-CB 3.28Å; N1815-N1819 WeakPolarHBondContact O-CB 3.27Å; N1815-N1819 PolarHBondContact O-N 2.9Å; N1815-N1819 PolarHBondContact O-ND2 2.94Å
1816F83.1Confident75.5Confident69 Ų6947.3 Ų47.330%0.30324%0.237SC..Hα-helixtrans-60.1-47174.2178-103.7000111.9V1812 D1813 N1819 R1820V1812-F1816 HydrophobicContact CG1-CD1 4.19Å; D1813-F1816 PolarHBondContact O-N 3.42Å; D1813-F1816 WeakPolarHBondContact OD1-CB 3.37Å; D1813-F1816 PolarHBondContact OD1-N 2.95Å; D1813-F1816 VanDerWaalsContact OD1-N 3.14Å; F1816-N1819 PolarHBondContact O-N 3.12Å; F1816-R1820 HydrophobicContact CE1-CG 4.49Å; F1816-R1820 HydrophobicContact CZ-CG 4.43Å; F1816-R1820 WeakPolarHBondContact O-CG 3.49Å; F1816-R1820 PolarHBondContact O-N 3.17Å
1817I85.9Confident75.5Confident1 Ų140.2 Ų40.21%0.00520%0.204CC..Hα-helixtrans-64.4-43.8178.4-60176.5000111I1780 V1812 D1813 L1814 R1820 L1821 Y1826 M1832 D1835 L1836 L1839I1780-I1817 HydrophobicContact CD1-CG2 4.05Å; V1812-I1817 HydrophobicContact CG1-CD1 3.8Å; V1812-I1817 HydrophobicContact CG1-CG1 3.87Å; D1813-I1817 PolarHBondContact O-N 3.14Å; L1814-I1817 PolarHBondContact O-N 3.36Å; I1817-R1820 PolarHBondContact O-N 3.27Å; I1817-L1821 WeakPolarHBondContact O-CB 3.49Å; I1817-L1821 PolarHBondContact O-N 3.14Å; I1817-Y1826 HydrophobicContact CG2-CE2 4.17Å; I1817-M1832 HydrophobicContact CG2-CE 4.37Å; I1817-M1832 HydrophobicContact CG2-CG 4.31Å; I1817-D1835 HydrophobicContact CD1-CB 4.1Å; I1817-D1835 HydrophobicContact CG1-CB 4.08Å; I1817-L1836 HydrophobicContact CD1-CD2 3.7Å; I1817-L1836 HydrophobicContact CD1-CG 4.02Å; I1817-L1839 HydrophobicContact CD1-CD1 4.48Å
1818L87.3Confident75.5Confident18 Ų1837.9 Ų37.99%0.09419%0.192CC..Hα-helixtrans-60.7-45.9176.8-177.865.8000111.6V1777 I1780 M1784 L1814 N1815 L1821 L1822V1777-L1818 HydrophobicContact CG1-CD1 4.19Å; I1780-L1818 HydrophobicContact CB-CD1 4.07Å; I1780-L1818 HydrophobicContact CD1-CD1 4.49Å; I1780-L1818 HydrophobicContact CG2-CB 4.05Å; I1780-L1818 HydrophobicContact CG2-CD1 4.04Å; M1784-L1818 HydrophobicContact CE-CD2 4.22Å; M1784-L1818 HydrophobicContact SD-CB 4.32Å; M1784-L1818 HydrophobicContact SD-CD2 3.81Å; L1814-L1818 VanDerWaalsContact O-CB 3.27Å; L1814-L1818 WeakPolarHBondContact O-CB 3.35Å; L1814-L1818 PolarHBondContact O-N 3Å; N1815-L1818 PolarHBondContact O-N 3.29Å; L1818-L1821 PolarHBondContact O-N 3.41Å; L1818-L1822 HydrophobicContact CD1-CD1 4.39Å; L1818-L1822 HydrophobicContact CD1-CG 4.46Å; L1818-L1822 HydrophobicContact CG-CD1 3.95Å; L1818-L1822 HydrophobicContact CG-CG 4.45Å; L1818-L1822 WeakPolarHBondContact O-CB 3.38Å; L1818-L1822 WeakPolarHBondContact O-CG 3.28Å; L1818-L1822 PolarHBondContact O-N 3.03Å
1819N77.4Confident75.4Confident77 Ų7739.7 Ų39.741%0.41221%0.205SC..Hα-helixtrans-65.9-38.8178.3-73.6-37.2000112.1N1815 F1816 L1821 N1823N1815-N1819 VanDerWaalsContact O-CB 3.28Å; N1815-N1819 WeakPolarHBondContact O-CB 3.27Å; N1815-N1819 PolarHBondContact O-N 2.9Å; N1815-N1819 PolarHBondContact O-ND2 2.94Å; F1816-N1819 PolarHBondContact O-N 3.12Å; N1819-L1821 VanDerWaalsContact C-N 3.3Å; N1819-L1821 PolarHBondContact O-N 2.7Å; N1819-N1823 WeakPolarHBondContact O-CB 3.41Å; N1819-N1823 PolarHBondContact O-N 3.29Å; N1819-N1823 VanDerWaalsContact O-N 3.09Å; N1819-N1823 PolarHBondContact O-ND2 3.26Å
1820R76.1Confident75.8Confident32 Ų3241.4 Ų41.412%0.12121%0.21CC..Hα-helixtrans-63.9-36.7174-73.6-172.497.8-178.712.1112.3F1816 I1817 G1824 Y1825 Y1826 D1835F1816-R1820 HydrophobicContact CE1-CG 4.49Å; F1816-R1820 HydrophobicContact CZ-CG 4.43Å; F1816-R1820 WeakPolarHBondContact O-CG 3.49Å; F1816-R1820 PolarHBondContact O-N 3.17Å; I1817-R1820 PolarHBondContact O-N 3.27Å; R1820-G1824 PolarHBondContact O-N 3.46Å; R1820-Y1825 WeakPolarHBondContact O-CB 3.35Å; R1820-Y1825 PolarHBondContact O-N 3.02Å; R1820-Y1826 HydrophobicContact CB-CD2 4.26Å; R1820-Y1826 HydrophobicContact CB-CE1 4.5Å; R1820-Y1826 HydrophobicContact CB-CE2 3.58Å; R1820-D1835 IonicContact CZ-OD2 2.71Å; R1820-D1835 IonicContact NH1-OD1 2.78Å; R1820-D1835 PolarHBondContact NH1-OD1 3.25Å; R1820-D1835 IonicContact NH1-OD2 3.19Å; R1820-D1835 PolarHBondContact NH1-OD2 2.77Å
1821L80.7Confident76Confident1 Ų139.3 Ų39.31%0.00520%0.204CC..Hα-helixtrans-73.7-45.9178.1-171.581.3000112.2I1773 L1776 V1777 I1780 I1817 L1818 N1819 N1823 G1824 Y1826 M1832I1773-L1821 HydrophobicContact CG1-CD1 4.48Å; I1773-L1821 HydrophobicContact CG2-CG 4.44Å; I1773-L1821 WeakPolarHBondContact CG2-O 3.43Å; L1776-L1821 HydrophobicContact CB-CD1 4.09Å; L1776-L1821 HydrophobicContact CB-CD2 3.43Å; L1776-L1821 VanDerWaalsContact CB-CD2 3.43Å; L1776-L1821 HydrophobicContact CB-CG 4.36Å; L1776-L1821 HydrophobicContact CD1-CD1 4.2Å; V1777-L1821 HydrophobicContact CB-CD2 4.28Å; V1777-L1821 HydrophobicContact CG2-CD2 3.59Å; V1777-L1821 HydrophobicContact CG2-CG 4.09Å; V1777-L1821 VanDerWaalsContact N-CD2 3.28Å; I1780-L1821 HydrophobicContact CD1-CB 4.44Å; I1780-L1821 HydrophobicContact CD1-CD2 3.59Å; I1817-L1821 WeakPolarHBondContact O-CB 3.49Å; I1817-L1821 PolarHBondContact O-N 3.14Å; L1818-L1821 PolarHBondContact O-N 3.41Å; N1819-L1821 VanDerWaalsContact C-N 3.3Å; N1819-L1821 PolarHBondContact O-N 2.7Å; L1821-N1823 VanDerWaalsContact C-N 3.29Å; L1821-N1823 PolarHBondContact O-N 2.85Å; L1821-G1824 PolarHBondContact O-N 2.89Å; L1821-G1824 VanDerWaalsContact O-N 3.09Å; L1821-Y1826 HydrophobicContact CB-CD2 4.06Å; L1821-Y1826 HydrophobicContact CB-CE2 4.16Å; L1821-Y1826 HydrophobicContact CD1-CD2 3.87Å; L1821-M1832 HydrophobicContact CD1-SD 4.09Å
1822L76.6Confident76.2Confident89 Ų8936.8 Ų36.847%0.46619%0.187SC..Hα-helixtrans-56-43.3175.7-81.5167.6000112V1777 L1818 G1824V1777-L1822 HydrophobicContact CB-CD2 4.46Å; V1777-L1822 HydrophobicContact CG1-CD2 3.76Å; V1777-L1822 HydrophobicContact CG1-CG 4.41Å; V1777-L1822 HydrophobicContact CG2-CD2 3.76Å; V1777-L1822 HydrophobicContact CG2-CG 4.01Å; L1818-L1822 HydrophobicContact CD1-CD1 4.39Å; L1818-L1822 HydrophobicContact CD1-CG 4.46Å; L1818-L1822 HydrophobicContact CG-CD1 3.95Å; L1818-L1822 HydrophobicContact CG-CG 4.45Å; L1818-L1822 WeakPolarHBondContact O-CB 3.38Å; L1818-L1822 WeakPolarHBondContact O-CG 3.28Å; L1818-L1822 PolarHBondContact O-N 3.03Å; L1822-G1824 PolarHBondContact O-N 2.68Å
1823N69.7Low76.3Confident80 Ų8039.1 Ų39.143%0.42820%0.196SC..THydrogen-bonded Turntrans-87.821.5179.7-62.7-26.3000112.9H1747 N1819 L1821 Y1825H1747-N1823 PolarHBondContact CE1-O 3.14Å; H1747-N1823 PolarHBondContact NE2-O 2.96Å; N1819-N1823 WeakPolarHBondContact O-CB 3.41Å; N1819-N1823 PolarHBondContact O-N 3.29Å; N1819-N1823 VanDerWaalsContact O-N 3.09Å; N1819-N1823 PolarHBondContact O-ND2 3.26Å; L1821-N1823 VanDerWaalsContact C-N 3.29Å; L1821-N1823 PolarHBondContact O-N 2.85Å; N1823-Y1825 HydrophobicContact CB-CD2 3.6Å; N1823-Y1825 HydrophobicContact CB-CE2 3.38Å; N1823-Y1825 WeakPolarHBondContact O-CD2 3.46Å; N1823-Y1825 PolarHBondContact O-N 3.43Å
1824G67.3Low75.9Confident9 Ų940.8 Ų40.89%0.09321%0.209CC..THydrogen-bonded Turntrans62.314169.100000116.7Y1769 R1820 L1821 L1822 Y1826Y1769-G1824 PolarHBondContact OH-O 2.74Å; R1820-G1824 PolarHBondContact O-N 3.46Å; L1821-G1824 PolarHBondContact O-N 2.89Å; L1821-G1824 VanDerWaalsContact O-N 3.09Å; L1822-G1824 PolarHBondContact O-N 2.68Å; G1824-Y1826 PolarHBondContact O-N 3.28Å
1825Y62.5Low75.6Confident77 Ų7741.8 Ų41.830%0.30221%0.214SC..  trans-66.9-35-172.6-72.8-81.4000112.8Q1347 R1820 N1823 R1827Q1347-Y1825 PolarHBondContact NE2-O 2.76Å; R1820-Y1825 WeakPolarHBondContact O-CB 3.35Å; R1820-Y1825 PolarHBondContact O-N 3.02Å; N1823-Y1825 HydrophobicContact CB-CD2 3.6Å; N1823-Y1825 HydrophobicContact CB-CE2 3.38Å; N1823-Y1825 WeakPolarHBondContact O-CD2 3.46Å; N1823-Y1825 PolarHBondContact O-N 3.43Å; Y1825-R1827 PolarHBondContact O-N 3.13Å
1826Y69Low75.8Confident4 Ų439.9 Ų39.92%0.01620%0.204CC..  trans-71.1101.1-175.4-67.3-60.6000112.7Y1769 I1817 R1820 L1821 G1824 M1832 D1835Y1769-Y1826 PolarHBondContact OH-O 3.48Å; Y1769-Y1826 VanDerWaalsContact OH-O 3.12Å; I1817-Y1826 HydrophobicContact CG2-CE2 4.17Å; R1820-Y1826 HydrophobicContact CB-CD2 4.26Å; R1820-Y1826 HydrophobicContact CB-CE1 4.5Å; R1820-Y1826 HydrophobicContact CB-CE2 3.58Å; L1821-Y1826 HydrophobicContact CB-CD2 4.06Å; L1821-Y1826 HydrophobicContact CB-CE2 4.16Å; L1821-Y1826 HydrophobicContact CD1-CD2 3.87Å; G1824-Y1826 PolarHBondContact O-N 3.28Å; Y1826-M1832 HydrophobicContact CD1-CB 3.97Å; Y1826-M1832 HydrophobicContact CD2-CB 4.07Å; Y1826-M1832 HydrophobicContact CD2-CG 4.23Å; Y1826-M1832 HydrophobicContact CE1-CB 4.08Å; Y1826-M1832 HydrophobicContact CE2-CB 4.17Å; Y1826-M1832 HydrophobicContact CE2-CG 4.03Å; Y1826-M1832 HydrophobicContact CG-CB 3.97Å; Y1826-D1835 VanDerWaalsContact CE1-OD2 3.3Å; Y1826-D1835 WeakPolarHBondContact CE1-OD2 3.43Å; Y1826-D1835 PolarHBondContact OH-OD2 2.88Å
1827R61.4Low76Confident35 Ų3539.7 Ų39.713%0.13221%0.206CC..SBendtrans-75.9-24.7179.2-68.7177.6165.1-165.8-3.6113.4Q1347 T1756 W1760 Y1825Q1347-R1827 VanDerWaalsContact OE1-N 3.08Å; T1756-R1827 HydrophobicContact CG2-CG 4.45Å; W1760-R1827 PolarHBondContact NE1-O 3.46Å; Y1825-R1827 PolarHBondContact O-N 3.13Å
1828Q65Low76Confident30 Ų3041.4 Ų41.414%0.1421%0.214CC..SBendtrans-136.9145.9180-51.1-176.73500109.8I1830 S1831Q1828-I1830 PolarHBondContact O-N 3.08Å; Q1828-S1831 WeakPolarHBondContact O-CB 3.43Å; Q1828-S1831 PolarHBondContact O-N 2.99Å; Q1828-S1831 VanDerWaalsContact O-N 3.12Å
1829S71.1Confident76.1Confident39 Ų3940.7 Ų40.727%0.27321%0.21SC..Hα-helixtrans-61.5-28.8176.759.90000113.2S1831 M1832 K1833S1829-S1831 VanDerWaalsContact C-N 3.29Å; S1829-S1831 PolarHBondContact O-N 3.42Å; S1829-M1832 PolarHBondContact O-N 2.64Å; S1829-K1833 WeakPolarHBondContact O-CB 3.35Å; S1829-K1833 PolarHBondContact O-N 3Å
1830I69.4Low76.8Confident110 Ų11037.8 Ų37.856%0.56419%0.194SC*.Hα-helixtrans-60.1-38.5175.3-64.6172.4000111.3Q1828 K1833 S1834Q1828-I1830 PolarHBondContact O-N 3.08Å; I1830-K1833 PolarHBondContact O-N 2.84Å; I1830-S1834 PolarHBondContact O-N 2.91Å
1831S72.3Confident77.3Confident11 Ų1139.4 Ų39.48%0.07720%0.203CC..Hα-helixtrans-66.3-42.1-179.1-46.80000111.6Q1347 Q1828 S1829 S1834 D1835Q1347-S1831 PolarHBondContact OE1-OG 3.36Å; Q1828-S1831 WeakPolarHBondContact O-CB 3.43Å; Q1828-S1831 PolarHBondContact O-N 2.99Å; Q1828-S1831 VanDerWaalsContact O-N 3.12Å; S1829-S1831 VanDerWaalsContact C-N 3.29Å; S1829-S1831 PolarHBondContact O-N 3.42Å; S1831-S1834 WeakPolarHBondContact O-CB 3.41Å; S1831-S1834 PolarHBondContact O-N 2.87Å; S1831-D1835 PolarHBondContact O-N 2.95Å
1832M82.1Confident77.6Confident2 Ų239.4 Ų39.41%0.0120%0.203CC..Hα-helixtrans-66.8-38.6173.7-175.5-173.7164.600112L1776 I1780 I1817 L1821 Y1826 S1829 S1834 D1835 L1836 I1868L1776-M1832 HydrophobicContact CD1-SD 4.21Å; L1776-M1832 HydrophobicContact CD2-CE 4.46Å; I1780-M1832 HydrophobicContact CD1-CE 3.65Å; I1780-M1832 HydrophobicContact CG1-CE 4.02Å; I1817-M1832 HydrophobicContact CG2-CE 4.37Å; I1817-M1832 HydrophobicContact CG2-CG 4.31Å; L1821-M1832 HydrophobicContact CD1-SD 4.09Å; Y1826-M1832 HydrophobicContact CD1-CB 3.97Å; Y1826-M1832 HydrophobicContact CD2-CB 4.07Å; Y1826-M1832 HydrophobicContact CD2-CG 4.23Å; Y1826-M1832 HydrophobicContact CE1-CB 4.08Å; Y1826-M1832 HydrophobicContact CE2-CB 4.17Å; Y1826-M1832 HydrophobicContact CE2-CG 4.03Å; Y1826-M1832 HydrophobicContact CG-CB 3.97Å; S1829-M1832 PolarHBondContact O-N 2.64Å; M1832-S1834 VanDerWaalsContact C-N 3.28Å; M1832-S1834 PolarHBondContact O-N 2.81Å; M1832-D1835 PolarHBondContact O-N 2.81Å; M1832-L1836 HydrophobicContact CE-CD1 4.24Å; M1832-L1836 PolarHBondContact O-N 2.74Å; M1832-L1836 VanDerWaalsContact O-N 3.08Å; M1832-I1868 HydrophobicContact CB-CD1 4.2Å; M1832-I1868 HydrophobicContact CE-CD1 3.9Å; M1832-I1868 HydrophobicContact CE-CG1 3.93Å; M1832-I1868 HydrophobicContact CG-CD1 3.83Å; M1832-I1868 HydrophobicContact SD-CD1 3.75Å; M1832-I1868 HydrophobicContact SD-CG1 3.85Å
1833K83.7Confident78.1Confident68 Ų6835.3 Ų35.330%0.29618%0.182SC..Hα-helixtrans-63.7-32.6174.5-177.4169.2176.3169.20112.4S1829 I1830 L1837 L1865 I1868 E1869S1829-K1833 WeakPolarHBondContact O-CB 3.35Å; S1829-K1833 PolarHBondContact O-N 3Å; I1830-K1833 PolarHBondContact O-N 2.84Å; K1833-L1837 WeakPolarHBondContact O-CB 3.4Å; K1833-L1837 PolarHBondContact O-N 3.42Å; K1833-L1865 HydrophobicContact CD-CD1 3.56Å; K1833-L1865 HydrophobicContact CG-CD1 3.91Å; K1833-I1868 HydrophobicContact CB-CD1 4.33Å; K1833-E1869 IonicContact NZ-OE1 2.9Å; K1833-E1869 PolarHBondContact NZ-OE1 2.7Å
1834S79Confident78.9Confident54 Ų5434.7 Ų34.738%0.37818%0.176SC..Hα-helixtrans-68.1-45.4174.7-164.10000112.2I1830 S1831 M1832 L1836 L1837 Q1838I1830-S1834 PolarHBondContact O-N 2.91Å; S1831-S1834 WeakPolarHBondContact O-CB 3.41Å; S1831-S1834 PolarHBondContact O-N 2.87Å; M1832-S1834 VanDerWaalsContact C-N 3.28Å; M1832-S1834 PolarHBondContact O-N 2.81Å; S1834-L1836 PolarHBondContact O-N 2.95Å; S1834-L1837 PolarHBondContact O-N 2.83Å; S1834-Q1838 PolarHBondContact O-N 3.3Å
1835D83.6Confident79.7Confident25 Ų2540.8 Ų40.813%0.13420%0.197CC..Hα-helixtrans-64.2-40.7177.2-73.4-1.7000111.3V1812 I1817 R1820 Y1826 S1831 M1832 L1837 Q1838 L1839V1812-D1835 HydrophobicContact CG1-CB 4.42Å; I1817-D1835 HydrophobicContact CD1-CB 4.1Å; I1817-D1835 HydrophobicContact CG1-CB 4.08Å; R1820-D1835 IonicContact CZ-OD2 2.71Å; R1820-D1835 IonicContact NH1-OD1 2.78Å; R1820-D1835 PolarHBondContact NH1-OD1 3.25Å; R1820-D1835 IonicContact NH1-OD2 3.19Å; R1820-D1835 PolarHBondContact NH1-OD2 2.77Å; Y1826-D1835 VanDerWaalsContact CE1-OD2 3.3Å; Y1826-D1835 WeakPolarHBondContact CE1-OD2 3.43Å; Y1826-D1835 PolarHBondContact OH-OD2 2.88Å; S1831-D1835 PolarHBondContact O-N 2.95Å; M1832-D1835 PolarHBondContact O-N 2.81Å; D1835-L1837 PolarHBondContact O-N 3.31Å; D1835-Q1838 PolarHBondContact O-N 3.46Å; D1835-L1839 PolarHBondContact O-N 3.39Å; D1835-L1839 VanDerWaalsContact O-N 3.11Å
1836L88.9Confident80.8Confident7 Ų739.9 Ų39.94%0.03719%0.193CC..Hα-helixtrans-63.2-37.3173.4-77.1172.9000113.1I1817 M1832 S1834 L1840 Y1861 I1868I1817-L1836 HydrophobicContact CD1-CD2 3.7Å; I1817-L1836 HydrophobicContact CD1-CG 4.02Å; M1832-L1836 HydrophobicContact CE-CD1 4.24Å; M1832-L1836 PolarHBondContact O-N 2.74Å; M1832-L1836 VanDerWaalsContact O-N 3.08Å; S1834-L1836 PolarHBondContact O-N 2.95Å; L1836-L1840 PolarHBondContact O-N 3.38Å; L1836-Y1861 HydrophobicContact CB-CD2 4.1Å; L1836-Y1861 HydrophobicContact CB-CE2 4.44Å; L1836-I1868 HydrophobicContact CD1-CD1 3.7Å
1837L87.8Confident81.6Confident65 Ų6541.7 Ų41.734%0.3420%0.203SC..Hα-helixtrans-69-39.3175.3-177.763.3000111.2K1833 S1834 D1835 L1839 L1840 E1841 Y1861K1833-L1837 WeakPolarHBondContact O-CB 3.4Å; K1833-L1837 PolarHBondContact O-N 3.42Å; S1834-L1837 PolarHBondContact O-N 2.83Å; D1835-L1837 PolarHBondContact O-N 3.31Å; L1837-L1839 VanDerWaalsContact C-N 3.31Å; L1837-L1839 PolarHBondContact O-N 2.94Å; L1837-L1840 WeakPolarHBondContact O-CB 3.44Å; L1837-L1840 PolarHBondContact O-N 3.26Å; L1837-L1840 VanDerWaalsContact O-N 3.14Å; L1837-E1841 PolarHBondContact O-N 3.05Å; L1837-Y1861 HydrophobicContact CB-CE2 4.04Å; L1837-Y1861 HydrophobicContact CD1-CE2 4.11Å
1838Q85.3Confident82.4Confident36 Ų3646.8 Ų46.817%0.16823%0.232CC..Hα-helixtrans-62.1-37.8176.8-171.361.672.900111.8V1812 S1834 D1835 L1840 E1841 N1842V1812-Q1838 HydrophobicContact CG2-CB 4.34Å; V1812-Q1838 HydrophobicContact CG2-CG 4.06Å; S1834-Q1838 PolarHBondContact O-N 3.3Å; D1835-Q1838 PolarHBondContact O-N 3.46Å; Q1838-L1840 VanDerWaalsContact C-N 3.34Å; Q1838-L1840 PolarHBondContact O-N 3.01Å; Q1838-E1841 PolarHBondContact O-N 3.09Å; Q1838-N1842 PolarHBondContact NE2-OD1 3.16Å; Q1838-N1842 VanDerWaalsContact O-CB 3.31Å; Q1838-N1842 WeakPolarHBondContact O-CB 3.35Å; Q1838-N1842 PolarHBondContact O-N 3.26Å; Q1838-N1842 PolarHBondContact O-ND2 3.13Å; Q1838-N1842 VanDerWaalsContact O-ND2 3.11Å; Q1838-N1842 PolarHBondContact O-OD1 3.3Å
1839L90.2Very high82.8Confident4 Ų449.1 Ų49.12%0.02125%0.25CS..Hα-helixtrans-60-42.2173.3-172.5156.8000111.8F1792 V1812 L1814 I1817 D1835 L1837 T1843F1792-L1839 HydrophobicContact CB-CD1 4.5Å; F1792-L1839 HydrophobicContact CD1-CD2 3.92Å; F1792-L1839 HydrophobicContact CE1-CD2 4.48Å; F1792-L1839 HydrophobicContact CG-CD2 4.25Å; V1812-L1839 HydrophobicContact CB-CB 4.45Å; V1812-L1839 HydrophobicContact CG1-CB 4.24Å; L1814-L1839 HydrophobicContact CD2-CD1 4.21Å; L1814-L1839 HydrophobicContact CG-CD1 4.3Å; I1817-L1839 HydrophobicContact CD1-CD1 4.48Å; D1835-L1839 PolarHBondContact O-N 3.39Å; D1835-L1839 VanDerWaalsContact O-N 3.11Å; L1837-L1839 VanDerWaalsContact C-N 3.31Å; L1837-L1839 PolarHBondContact O-N 2.94Å; L1839-T1843 PolarHBondContact O-N 3.28Å; L1839-T1843 PolarHBondContact O-OG1 3.23Å
1840L90.8Very high82.8Confident15 Ų1550.6 Ų50.68%0.07927%0.272CS..Hα-helixtrans-66.3-51.6174.4176.358.6000111.7L1836 L1837 Q1838 N1842 T1843 E1844 A1857 Q1858 Y1861L1836-L1840 PolarHBondContact O-N 3.38Å; L1837-L1840 WeakPolarHBondContact O-CB 3.44Å; L1837-L1840 PolarHBondContact O-N 3.26Å; L1837-L1840 VanDerWaalsContact O-N 3.14Å; Q1838-L1840 VanDerWaalsContact C-N 3.34Å; Q1838-L1840 PolarHBondContact O-N 3.01Å; L1840-N1842 VanDerWaalsContact C-N 3.3Å; L1840-N1842 PolarHBondContact O-N 2.89Å; L1840-T1843 WeakPolarHBondContact O-CA 3.44Å; L1840-T1843 WeakPolarHBondContact O-CB 3.41Å; L1840-T1843 PolarHBondContact O-N 3.05Å; L1840-E1844 HydrophobicContact CD1-CG 4.02Å; L1840-E1844 PolarHBondContact O-N 2.64Å; L1840-A1857 HydrophobicContact CD1-CB 3.97Å; L1840-Q1858 HydrophobicContact CD1-CB 4.41Å; L1840-Q1858 HydrophobicContact CD1-CG 3.55Å; L1840-Q1858 HydrophobicContact CD2-CG 4.38Å; L1840-Y1861 HydrophobicContact CD2-CD1 3.83Å; L1840-Y1861 HydrophobicContact CD2-CE1 4.43Å; L1840-Y1861 HydrophobicContact CD2-CG 3.96Å
1841E86.8Confident83.4Confident66 Ų6646.9 Ų46.931%0.30826%0.255SS..Hα-helixtrans-58-41.3179.6-78.7-164-142.800112.3L1837 Q1838 T1843 E1844 R1845L1837-E1841 PolarHBondContact O-N 3.05Å; Q1838-E1841 PolarHBondContact O-N 3.09Å; E1841-T1843 VanDerWaalsContact C-N 3.28Å; E1841-T1843 PolarHBondContact O-N 2.97Å; E1841-E1844 PolarHBondContact O-N 3.39Å; E1841-R1845 VanDerWaalsContact O-CB 3.32Å; E1841-R1845 WeakPolarHBondContact O-CB 3.5Å; E1841-R1845 WeakPolarHBondContact O-CD 3.2Å; E1841-R1845 WeakPolarHBondContact O-CG 3.44Å; E1841-R1845 PolarHBondContact O-N 2.87Å; E1841-R1845 IonicContact OE2-CZ 3.14Å; E1841-R1845 IonicContact OE2-NE 2.86Å; E1841-R1845 IonicContact OE2-NH2 3.64Å; E1841-R1845 PolarHBondContact OE2-NH2 3.48Å
1842N87.1Confident83.9Confident1 Ų150.3 Ų50.31%0.00528%0.279CS..Hα-helixtrans-57.4-44174.2-70.9-21.5000111.7N1808 Y1810 Q1838 L1840 R1845 Y1846N1808-N1842 HydrophobicContact CB-CB 4.4Å; N1808-N1842 WeakPolarHBondContact ND2-CA 3.3Å; N1808-N1842 PolarHBondContact ND2-O 3.13Å; Y1810-N1842 PolarHBondContact O-ND2 3.04Å; Y1810-N1842 PolarHBondContact O-OD1 3.21Å; Q1838-N1842 PolarHBondContact NE2-OD1 3.16Å; Q1838-N1842 VanDerWaalsContact O-CB 3.31Å; Q1838-N1842 WeakPolarHBondContact O-CB 3.35Å; Q1838-N1842 PolarHBondContact O-N 3.26Å; Q1838-N1842 PolarHBondContact O-ND2 3.13Å; Q1838-N1842 VanDerWaalsContact O-ND2 3.11Å; Q1838-N1842 PolarHBondContact O-OD1 3.3Å; L1840-N1842 VanDerWaalsContact C-N 3.3Å; L1840-N1842 PolarHBondContact O-N 2.89Å; N1842-R1845 PolarHBondContact O-N 3.24Å; N1842-Y1846 WeakPolarHBondContact O-CB 3.32Å; N1842-Y1846 PolarHBondContact O-N 2.99Å; N1842-Y1846 VanDerWaalsContact O-N 3.15Å
1843T87.3Confident84.1Confident4 Ų452.5 Ų52.53%0.02529%0.29CS..Hα-helixtrans-67.1-43.3-178.1-52.80000110.6F1792 L1839 L1840 E1841 N1847 I1853 V1854 A1857F1792-T1843 HydrophobicContact CE1-CG2 4.06Å; F1792-T1843 HydrophobicContact CZ-CG2 4.3Å; L1839-T1843 PolarHBondContact O-N 3.28Å; L1839-T1843 PolarHBondContact O-OG1 3.23Å; L1840-T1843 WeakPolarHBondContact O-CA 3.44Å; L1840-T1843 WeakPolarHBondContact O-CB 3.41Å; L1840-T1843 PolarHBondContact O-N 3.05Å; E1841-T1843 VanDerWaalsContact C-N 3.28Å; E1841-T1843 PolarHBondContact O-N 2.97Å; T1843-N1847 VanDerWaalsContact O-CB 3.29Å; T1843-N1847 WeakPolarHBondContact O-CB 3.18Å; T1843-N1847 PolarHBondContact O-N 3.09Å; T1843-N1847 PolarHBondContact O-ND2 3.41Å; T1843-I1853 HydrophobicContact CG2-CG2 3.85Å; T1843-V1854 HydrophobicContact CG2-CG2 4.08Å; T1843-A1857 HydrophobicContact CG2-CB 3.76Å
1844E86.3Confident84.4Confident66 Ų6649.3 Ų49.331%0.30828%0.277SS..Hα-helixtrans-71.8-28.3178.2-71.2-176.9166.600113.8L1840 E1841 V1854 Q1858L1840-E1844 HydrophobicContact CD1-CG 4.02Å; L1840-E1844 PolarHBondContact O-N 2.64Å; E1841-E1844 PolarHBondContact O-N 3.39Å; E1844-V1854 HydrophobicContact CG-CG1 3.72Å; E1844-V1854 HydrophobicContact CG-CG2 4.31Å; E1844-Q1858 PolarHBondContact OE1-NE2 2.92Å
1845R83.7Confident84.8Confident137 Ų13750.3 Ų50.352%0.51727%0.273SS..Hα-helixtrans-74.5-34.8174.2-72.5165.2-173.3-142.29.9113.3I1807 N1808 E1841 N1842I1807-R1845 HydrophobicContact CG2-CB 4.18Å; N1808-R1845 WeakPolarHBondContact OD1-CB 3.34Å; N1808-R1845 WeakPolarHBondContact OD1-CD 3.11Å; E1841-R1845 VanDerWaalsContact O-CB 3.32Å; E1841-R1845 WeakPolarHBondContact O-CB 3.5Å; E1841-R1845 WeakPolarHBondContact O-CD 3.2Å; E1841-R1845 WeakPolarHBondContact O-CG 3.44Å; E1841-R1845 PolarHBondContact O-N 2.87Å; E1841-R1845 IonicContact OE2-CZ 3.14Å; E1841-R1845 IonicContact OE2-NE 2.86Å; E1841-R1845 IonicContact OE2-NH2 3.64Å; E1841-R1845 PolarHBondContact OE2-NH2 3.48Å; N1842-R1845 PolarHBondContact O-N 3.24Å
1846Y87Confident85.1Confident58 Ų5850.6 Ų50.623%0.22727%0.274CS..Hα-helixtrans-94.9-31.4-174.9-165.4-99.8000114Y1801 D1803 Y1804 I1807 N1842Y1801-Y1846 AromaticContact CD1-CE1 3.92Å; Y1801-Y1846 HydrophobicContact CD1-CE1 3.92Å; Y1801-Y1846 HydrophobicContact CG-CE1 4.44Å; D1803-Y1846 HydrophobicContact CB-CE2 4.12Å; Y1804-Y1846 AromaticContact CD2-CD1 3.76Å; Y1804-Y1846 HydrophobicContact CD2-CD1 3.76Å; Y1804-Y1846 AromaticContact CD2-CD2 3.67Å; Y1804-Y1846 HydrophobicContact CD2-CD2 3.67Å; Y1804-Y1846 HydrophobicContact CD2-CE1 4.03Å; Y1804-Y1846 AromaticContact CD2-CE2 3.97Å; Y1804-Y1846 HydrophobicContact CD2-CE2 3.97Å; Y1804-Y1846 AromaticContact CD2-CG 3.57Å; Y1804-Y1846 HydrophobicContact CD2-CG 3.57Å; Y1804-Y1846 HydrophobicContact CE2-CD1 4.15Å; Y1804-Y1846 HydrophobicContact CE2-CD2 4.39Å; Y1804-Y1846 AromaticContact CE2-CG 3.93Å; Y1804-Y1846 HydrophobicContact CE2-CG 3.93Å; Y1804-Y1846 HydrophobicContact CG-CD2 4.48Å; I1807-Y1846 HydrophobicContact CB-CD2 4.14Å; I1807-Y1846 HydrophobicContact CD1-CD2 3.8Å; I1807-Y1846 HydrophobicContact CD1-CE2 3.92Å; I1807-Y1846 HydrophobicContact CG1-CD2 4.5Å; I1807-Y1846 HydrophobicContact CG2-CD2 4.26Å; N1842-Y1846 WeakPolarHBondContact O-CB 3.32Å; N1842-Y1846 PolarHBondContact O-N 2.99Å; N1842-Y1846 VanDerWaalsContact O-N 3.15Å
1847N85.2Confident85.1Confident42 Ų4250.2 Ų50.223%0.22527%0.272CS..SBendtrans-105.5159.4-176.2-59.8-89.1000111.5T1843 V1854T1843-N1847 VanDerWaalsContact O-CB 3.29Å; T1843-N1847 WeakPolarHBondContact O-CB 3.18Å; T1843-N1847 PolarHBondContact O-N 3.09Å; T1843-N1847 PolarHBondContact O-ND2 3.41Å; N1847-V1854 HydrophobicContact CB-CG2 3.89Å
1848L77.4Confident85.2Confident142 Ų14248.8 Ų48.874%0.74326%0.264SS*.  trans-62.7131.5172.1-72.7169.1000110.6S1851L1848-S1851 WeakPolarHBondContact O-CB 3.34Å; L1848-S1851 PolarHBondContact O-N 3.14Å; L1848-S1851 PolarHBondContact O-OG 2.88Å
1849P73.3Confident85.4Confident80 Ų8047.1 Ų47.152%0.51926%0.256SS..THydrogen-bonded Turntrans-60.4140.6172.824.4-32.9000110.5S1851 L2037P1849-S1851 PolarHBondContact O-N 3.45Å; P1849-L2037 HydrophobicContact CB-CD1 4.1Å; P1849-L2037 HydrophobicContact CB-CD2 3.72Å; P1849-L2037 HydrophobicContact CB-CG 4.4Å
1850G71.5Confident85.4Confident70 Ų7047 Ų4772%0.72226%0.256SS*.THydrogen-bonded Turntrans75.73.5-172.100000115.1
1851S83.2Confident85.5Confident32 Ų3248.6 Ų48.622%0.22426%0.261CS..SBendtrans-66.3154.3164.664.30000111.1L1848 P1849 I1853 V1854 Y1855L1848-S1851 WeakPolarHBondContact O-CB 3.34Å; L1848-S1851 PolarHBondContact O-N 3.14Å; L1848-S1851 PolarHBondContact O-OG 2.88Å; P1849-S1851 PolarHBondContact O-N 3.45Å; S1851-I1853 PolarHBondContact O-N 3.05Å; S1851-V1854 PolarHBondContact O-N 3.34Å; S1851-V1854 VanDerWaalsContact O-N 3.17Å; S1851-V1854 WeakPolarHBondContact OG-CG2 3.27Å; S1851-V1854 PolarHBondContact OG-N 3.34Å; S1851-Y1855 PolarHBondContact O-N 2.86Å
1852S82.4Confident85.5Confident83 Ų8349.2 Ų49.258%0.5826%0.262SS*.Hα-helixtrans-60.1-27.3177.555.20000113N1856S1852-N1856 WeakPolarHBondContact O-CB 3.27Å; S1852-N1856 PolarHBondContact O-N 2.71Å; S1852-N1856 PolarHBondContact O-OD1 3.34Å
1853I86.7Confident85.6Confident47 Ų4749.1 Ų49.124%0.24126%0.262CS..Hα-helixtrans-69.1-49.2176.3-49.5-171.1000110F1792 T1843 S1851 Y1855 N1856 A1857F1792-I1853 HydrophobicContact CE1-CG2 4.23Å; F1792-I1853 HydrophobicContact CZ-CG2 3.83Å; F1792-I1853 WeakPolarHBondContact CZ-O 3.42Å; T1843-I1853 HydrophobicContact CG2-CG2 3.85Å; S1851-I1853 PolarHBondContact O-N 3.05Å; I1853-Y1855 VanDerWaalsContact C-N 3.35Å; I1853-Y1855 PolarHBondContact O-N 3Å; I1853-N1856 PolarHBondContact O-N 2.78Å; I1853-A1857 PolarHBondContact O-N 2.98Å
1854V88.9Confident85.6Confident1 Ų149.1 Ų49.11%0.00626%0.263CS..Hα-helixtrans-60-44.7174.6169.60000111.2T1843 E1844 N1847 S1851 N1856 A1857 Q1858T1843-V1854 HydrophobicContact CG2-CG2 4.08Å; E1844-V1854 HydrophobicContact CG-CG1 3.72Å; E1844-V1854 HydrophobicContact CG-CG2 4.31Å; N1847-V1854 HydrophobicContact CB-CG2 3.89Å; S1851-V1854 PolarHBondContact O-N 3.34Å; S1851-V1854 VanDerWaalsContact O-N 3.17Å; S1851-V1854 WeakPolarHBondContact OG-CG2 3.27Å; S1851-V1854 PolarHBondContact OG-N 3.34Å; V1854-N1856 VanDerWaalsContact C-N 3.35Å; V1854-N1856 PolarHBondContact O-N 2.68Å; V1854-A1857 PolarHBondContact O-N 3.39Å; V1854-Q1858 WeakPolarHBondContact O-CG 3.34Å; V1854-Q1858 PolarHBondContact O-N 2.85Å
1855Y86.7Confident85.6Confident76 Ų7647.5 Ų47.530%0.29826%0.256SS..Hα-helixtrans-60.1-42.4176.5176.1-101.3000112.4S1851 I1853 Q1858 L1859 D1888S1851-Y1855 PolarHBondContact O-N 2.86Å; I1853-Y1855 VanDerWaalsContact C-N 3.35Å; I1853-Y1855 PolarHBondContact O-N 3Å; Y1855-Q1858 PolarHBondContact O-N 3.41Å; Y1855-L1859 HydrophobicContact CD1-CD1 4.09Å; Y1855-L1859 HydrophobicContact CE1-CD1 3.49Å; Y1855-L1859 VanDerWaalsContact CE1-CD1 3.49Å; Y1855-L1859 HydrophobicContact CE1-CG 4.24Å; Y1855-L1859 PolarHBondContact O-N 2.72Å; Y1855-D1888 HydrophobicContact CE2-CB 4.21Å; Y1855-D1888 WeakPolarHBondContact OH-CB 3.39Å
1856N90Very high85.7Confident30 Ų3043.5 Ų43.516%0.1624%0.241CC..Hα-helixtrans-64.7-42.4174.8-72.4-3.4000111.9I1788 F1792 S1852 I1853 V1854 Q1858 L1859 V1860I1788-N1856 HydrophobicContact CB-CB 4.18Å; F1792-N1856 HydrophobicContact CE2-CB 3.85Å; F1792-N1856 HydrophobicContact CZ-CB 4.45Å; S1852-N1856 WeakPolarHBondContact O-CB 3.27Å; S1852-N1856 PolarHBondContact O-N 2.71Å; S1852-N1856 PolarHBondContact O-OD1 3.34Å; I1853-N1856 PolarHBondContact O-N 2.78Å; V1854-N1856 VanDerWaalsContact C-N 3.35Å; V1854-N1856 PolarHBondContact O-N 2.68Å; N1856-Q1858 VanDerWaalsContact C-N 3.33Å; N1856-Q1858 PolarHBondContact O-N 3.28Å; N1856-L1859 WeakPolarHBondContact O-CB 3.43Å; N1856-L1859 PolarHBondContact O-N 3.26Å; N1856-L1859 VanDerWaalsContact O-N 3.16Å; N1856-V1860 WeakPolarHBondContact O-CG2 3.45Å; N1856-V1860 PolarHBondContact O-N 2.68Å
1857A89.7Confident85.6Confident0 Ų040.9 Ų40.90%023%0.231CC..Hα-helixtrans-61.4-40.1174.600000112.1F1792 L1840 T1843 I1853 V1854 L1859 V1860 Y1861F1792-A1857 HydrophobicContact CE1-CB 3.95Å; F1792-A1857 HydrophobicContact CE2-CB 4.27Å; F1792-A1857 HydrophobicContact CZ-CB 3.66Å; L1840-A1857 HydrophobicContact CD1-CB 3.97Å; T1843-A1857 HydrophobicContact CG2-CB 3.76Å; I1853-A1857 PolarHBondContact O-N 2.98Å; V1854-A1857 PolarHBondContact O-N 3.39Å; A1857-L1859 VanDerWaalsContact C-N 3.35Å; A1857-L1859 PolarHBondContact O-N 3.46Å; A1857-V1860 PolarHBondContact O-N 2.94Å; A1857-Y1861 WeakPolarHBondContact O-CB 3.42Å; A1857-Y1861 PolarHBondContact O-N 3.49Å
1858Q90.3Very high85.5Confident35 Ų3539.8 Ų39.816%0.16423%0.225CC..Hα-helixtrans-64.1-37.6173.8-72-177.6-2.600112L1840 E1844 V1854 Y1855 N1856 K1862L1840-Q1858 HydrophobicContact CD1-CB 4.41Å; L1840-Q1858 HydrophobicContact CD1-CG 3.55Å; L1840-Q1858 HydrophobicContact CD2-CG 4.38Å; E1844-Q1858 PolarHBondContact OE1-NE2 2.92Å; V1854-Q1858 WeakPolarHBondContact O-CG 3.34Å; V1854-Q1858 PolarHBondContact O-N 2.85Å; Y1855-Q1858 PolarHBondContact O-N 3.41Å; N1856-Q1858 VanDerWaalsContact C-N 3.33Å; N1856-Q1858 PolarHBondContact O-N 3.28Å; Q1858-K1862 VanDerWaalsContact O-CB 3.28Å; Q1858-K1862 WeakPolarHBondContact O-CB 3.47Å; Q1858-K1862 WeakPolarHBondContact O-CD 3.33Å; Q1858-K1862 WeakPolarHBondContact O-CG 3.45Å; Q1858-K1862 PolarHBondContact O-N 3.15Å
1859L88.2Confident85.7Confident1 Ų137.2 Ų37.21%0.00521%0.209CC..Hα-helixtrans-65.8-43.9172-72.7177.1000112.2I1788 Y1855 N1856 A1857 K1862 L1863 L1884I1788-L1859 HydrophobicContact CD1-CB 3.69Å; I1788-L1859 HydrophobicContact CD1-CD1 4.23Å; I1788-L1859 HydrophobicContact CG2-CD1 4.36Å; Y1855-L1859 HydrophobicContact CD1-CD1 4.09Å; Y1855-L1859 HydrophobicContact CE1-CD1 3.49Å; Y1855-L1859 VanDerWaalsContact CE1-CD1 3.49Å; Y1855-L1859 HydrophobicContact CE1-CG 4.24Å; Y1855-L1859 PolarHBondContact O-N 2.72Å; N1856-L1859 WeakPolarHBondContact O-CB 3.43Å; N1856-L1859 PolarHBondContact O-N 3.26Å; N1856-L1859 VanDerWaalsContact O-N 3.16Å; A1857-L1859 VanDerWaalsContact C-N 3.35Å; A1857-L1859 PolarHBondContact O-N 3.46Å; L1859-K1862 HydrophobicContact CD2-CD 4.47Å; L1859-K1862 PolarHBondContact O-N 3.42Å; L1859-L1863 WeakPolarHBondContact O-CB 3.4Å; L1859-L1863 VanDerWaalsContact O-CG 3.28Å; L1859-L1863 WeakPolarHBondContact O-CG 3.41Å; L1859-L1863 PolarHBondContact O-N 3.36Å; L1859-L1884 HydrophobicContact CD2-CB 3.82Å; L1859-L1884 HydrophobicContact CD2-CD1 4.19Å; L1859-L1884 HydrophobicContact CD2-CG 4.48Å
1860V90.2Very high85.6Confident2 Ų236.7 Ų36.71%0.01220%0.202CC..Hα-helixtrans-60.7-45.5175.8169.40000110.9I1783 I1788 F1792 L1814 N1856 A1857 L1863 G1864I1783-V1860 HydrophobicContact CG2-CG1 4.28Å; I1783-V1860 HydrophobicContact CG2-CG2 4.47Å; I1788-V1860 HydrophobicContact CD1-CG2 4.19Å; F1792-V1860 HydrophobicContact CD2-CG2 4.19Å; L1814-V1860 HydrophobicContact CD1-CG1 4.18Å; L1814-V1860 HydrophobicContact CD2-CG1 3.9Å; L1814-V1860 HydrophobicContact CG-CG1 4.48Å; N1856-V1860 WeakPolarHBondContact O-CG2 3.45Å; N1856-V1860 PolarHBondContact O-N 2.68Å; A1857-V1860 PolarHBondContact O-N 2.94Å; V1860-L1863 PolarHBondContact O-N 3.1Å; V1860-G1864 PolarHBondContact O-N 2.91Å
1861Y92.9Very high85.5Confident47 Ų4738.9 Ų38.918%0.18420%0.197CC..Hα-helixtrans-63.3-46.8174.8176.1-104.7000112.2L1836 L1837 L1840 A1857 L1863 G1864 L1865L1836-Y1861 HydrophobicContact CB-CD2 4.1Å; L1836-Y1861 HydrophobicContact CB-CE2 4.44Å; L1837-Y1861 HydrophobicContact CB-CE2 4.04Å; L1837-Y1861 HydrophobicContact CD1-CE2 4.11Å; L1840-Y1861 HydrophobicContact CD2-CD1 3.83Å; L1840-Y1861 HydrophobicContact CD2-CE1 4.43Å; L1840-Y1861 HydrophobicContact CD2-CG 3.96Å; A1857-Y1861 WeakPolarHBondContact O-CB 3.42Å; A1857-Y1861 PolarHBondContact O-N 3.49Å; Y1861-L1863 VanDerWaalsContact C-N 3.28Å; Y1861-L1863 PolarHBondContact O-N 3.17Å; Y1861-G1864 PolarHBondContact O-N 3.12Å; Y1861-L1865 HydrophobicContact CE1-CD2 4.43Å; Y1861-L1865 WeakPolarHBondContact O-CB 3.41Å; Y1861-L1865 PolarHBondContact O-N 2.98Å
1862K88.7Confident84.8Confident79 Ų7938.2 Ų38.234%0.34319%0.192SC..Hα-helixtrans-56.8-40.1174.7-76.7166179.5173.70111.7Q1858 L1859 Y1866 L1884 D1888Q1858-K1862 VanDerWaalsContact O-CB 3.28Å; Q1858-K1862 WeakPolarHBondContact O-CB 3.47Å; Q1858-K1862 WeakPolarHBondContact O-CD 3.33Å; Q1858-K1862 WeakPolarHBondContact O-CG 3.45Å; Q1858-K1862 PolarHBondContact O-N 3.15Å; L1859-K1862 HydrophobicContact CD2-CD 4.47Å; L1859-K1862 PolarHBondContact O-N 3.42Å; K1862-Y1866 WeakPolarHBondContact O-CB 3.34Å; K1862-Y1866 PolarHBondContact O-N 2.99Å; K1862-Y1866 VanDerWaalsContact O-N 3.1Å; K1862-L1884 HydrophobicContact CB-CD1 4.27Å; K1862-L1884 HydrophobicContact CD-CD2 4.37Å; K1862-D1888 IonicContact NZ-OD2 3.35Å; K1862-D1888 PolarHBondContact NZ-OD2 3.49Å; K1862-D1888 VanDerWaalsContact NZ-OD2 3.11Å
1863L88.8Confident84Confident0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-73.4-47.9178.2-72.8169.6000112.4I1783 L1786 I1788 L1859 V1860 Y1861 L1865 Y1866 C1867 V1877 R1880 Y1881 L1884I1783-L1863 HydrophobicContact CD1-CB 3.87Å; I1783-L1863 HydrophobicContact CG1-CB 4.17Å; L1786-L1863 HydrophobicContact CD1-CD1 3.74Å; I1788-L1863 HydrophobicContact CD1-CD1 4.17Å; L1859-L1863 WeakPolarHBondContact O-CB 3.4Å; L1859-L1863 VanDerWaalsContact O-CG 3.28Å; L1859-L1863 WeakPolarHBondContact O-CG 3.41Å; L1859-L1863 PolarHBondContact O-N 3.36Å; V1860-L1863 PolarHBondContact O-N 3.1Å; Y1861-L1863 VanDerWaalsContact C-N 3.28Å; Y1861-L1863 PolarHBondContact O-N 3.17Å; L1863-L1865 VanDerWaalsContact C-N 3.32Å; L1863-L1865 PolarHBondContact O-N 3.09Å; L1863-Y1866 WeakPolarHBondContact O-CB 3.31Å; L1863-Y1866 PolarHBondContact O-N 2.58Å; L1863-Y1866 VanDerWaalsContact O-N 3.15Å; L1863-C1867 PolarHBondContact O-N 2.81Å; L1863-C1867 PolarHBondContact O-SG 3.4Å; L1863-V1877 HydrophobicContact CD2-CG1 4.32Å; L1863-R1880 HydrophobicContact CD2-CB 4Å; L1863-R1880 HydrophobicContact CD2-CG 4.02Å; L1863-Y1881 HydrophobicContact CD1-CD2 4.13Å; L1863-Y1881 HydrophobicContact CD1-CG 4.49Å; L1863-L1884 HydrophobicContact CD2-CD1 3.91Å; L1863-L1884 HydrophobicContact CG-CD1 4.09Å
1864G87.1Confident82.7Confident4 Ų437.8 Ų37.84%0.04118%0.184CC..Hα-helixtrans-59.7-43177.100000111.8V1860 Y1861 Y1866 C1867 I1868V1860-G1864 PolarHBondContact O-N 2.91Å; Y1861-G1864 PolarHBondContact O-N 3.12Å; G1864-Y1866 PolarHBondContact O-N 3.35Å; G1864-C1867 WeakPolarHBondContact O-CB 3.37Å; G1864-C1867 PolarHBondContact O-N 2.6Å; G1864-I1868 WeakPolarHBondContact O-CG1 3.47Å; G1864-I1868 PolarHBondContact O-N 3.46Å; G1864-I1868 VanDerWaalsContact O-N 3.09Å
1865L86.7Confident81.6Confident31 Ų3140.3 Ų40.316%0.16220%0.198CC..Hα-helixtrans-63.3-41.1174.4-171.269.7000112.4K1833 Y1861 L1863 C1867 I1868 E1869K1833-L1865 HydrophobicContact CD-CD1 3.56Å; K1833-L1865 HydrophobicContact CG-CD1 3.91Å; Y1861-L1865 HydrophobicContact CE1-CD2 4.43Å; Y1861-L1865 WeakPolarHBondContact O-CB 3.41Å; Y1861-L1865 PolarHBondContact O-N 2.98Å; L1863-L1865 VanDerWaalsContact C-N 3.32Å; L1863-L1865 PolarHBondContact O-N 3.09Å; L1865-C1867 VanDerWaalsContact C-N 3.26Å; L1865-C1867 PolarHBondContact O-N 3.32Å; L1865-I1868 PolarHBondContact O-N 3.28Å; L1865-E1869 HydrophobicContact CD1-CG 4.03Å; L1865-E1869 WeakPolarHBondContact CD1-OE1 3.37Å; L1865-E1869 HydrophobicContact CG-CG 4.19Å; L1865-E1869 PolarHBondContact O-N 3.44Å
1866Y85.7Confident81Confident54 Ų5439.5 Ų39.521%0.21220%0.196CC..Hα-helixtrans-60.4-37174.3177-111.5000111.9K1862 L1863 G1864 N1870 V1872 R1880K1862-Y1866 WeakPolarHBondContact O-CB 3.34Å; K1862-Y1866 PolarHBondContact O-N 2.99Å; K1862-Y1866 VanDerWaalsContact O-N 3.1Å; L1863-Y1866 WeakPolarHBondContact O-CB 3.31Å; L1863-Y1866 PolarHBondContact O-N 2.58Å; L1863-Y1866 VanDerWaalsContact O-N 3.15Å; G1864-Y1866 PolarHBondContact O-N 3.35Å; Y1866-N1870 VanDerWaalsContact CD2-ND2 3.3Å; Y1866-N1870 WeakPolarHBondContact CD2-ND2 3.47Å; Y1866-N1870 HydrophobicContact CE2-CB 4.33Å; Y1866-N1870 WeakPolarHBondContact O-CB 3.49Å; Y1866-N1870 PolarHBondContact O-N 2.82Å; Y1866-N1870 PolarHBondContact O-ND2 3.16Å; Y1866-V1872 HydrophobicContact CD1-CG2 4.24Å; Y1866-V1872 HydrophobicContact CE1-CG1 4.24Å; Y1866-V1872 HydrophobicContact CE1-CG2 3.84Å; Y1866-R1880 HydrophobicContact CD1-CB 4.03Å; Y1866-R1880 HydrophobicContact CD1-CG 3.66Å; Y1866-R1880 HydrophobicContact CE1-CB 3.86Å; Y1866-R1880 HydrophobicContact CE1-CG 3.78Å; Y1866-R1880 HydrophobicContact CG-CG 4.08Å
1867C84.9Confident80.5Confident2 Ų238 Ų381%0.01419%0.189CC..Hα-helixtrans-71-30.1177.1-59.80000113.5R1775 L1776 C1779 L1863 G1864 L1865 N1870R1775-C1867 PolarHBondContact NH1-O 2.86Å; R1775-C1867 PolarHBondContact NH2-O 3.24Å; L1776-C1867 HydrophobicContact CD2-CB 4.4Å; L1776-C1867 WeakPolarHBondContact CD2-O 3.3Å; C1779-C1867 HydrophobicContact CB-CB 3.74Å; L1863-C1867 PolarHBondContact O-N 2.81Å; L1863-C1867 PolarHBondContact O-SG 3.4Å; G1864-C1867 WeakPolarHBondContact O-CB 3.37Å; G1864-C1867 PolarHBondContact O-N 2.6Å; L1865-C1867 VanDerWaalsContact C-N 3.26Å; L1865-C1867 PolarHBondContact O-N 3.32Å; C1867-N1870 VanDerWaalsContact O-O 3.09Å
1868I83Confident79.9Confident19 Ų1941.2 Ų41.210%0.09721%0.206CC..Hα-helixtrans-80.4-48.3174.7-62.3168.8000111.4L1776 M1832 K1833 L1836 G1864 L1865 N1870L1776-I1868 HydrophobicContact CD2-CG1 4.19Å; M1832-I1868 HydrophobicContact CB-CD1 4.2Å; M1832-I1868 HydrophobicContact CE-CD1 3.9Å; M1832-I1868 HydrophobicContact CE-CG1 3.93Å; M1832-I1868 HydrophobicContact CG-CD1 3.83Å; M1832-I1868 HydrophobicContact SD-CD1 3.75Å; M1832-I1868 HydrophobicContact SD-CG1 3.85Å; K1833-I1868 HydrophobicContact CB-CD1 4.33Å; L1836-I1868 HydrophobicContact CD1-CD1 3.7Å; G1864-I1868 WeakPolarHBondContact O-CG1 3.47Å; G1864-I1868 PolarHBondContact O-N 3.46Å; G1864-I1868 VanDerWaalsContact O-N 3.09Å; L1865-I1868 PolarHBondContact O-N 3.28Å; I1868-N1870 PolarHBondContact O-N 3.29Å
1869E80.4Confident79.4Confident88 Ų8844.1 Ų44.141%0.41122%0.215SC..Hα-helixtrans-76.5-1.9-174.7-64.4-169.5175.300113.1K1833 L1865 K2057K1833-E1869 IonicContact NZ-OE1 2.9Å; K1833-E1869 PolarHBondContact NZ-OE1 2.7Å; L1865-E1869 HydrophobicContact CD1-CG 4.03Å; L1865-E1869 WeakPolarHBondContact CD1-OE1 3.37Å; L1865-E1869 HydrophobicContact CG-CG 4.19Å; L1865-E1869 PolarHBondContact O-N 3.44Å; E1869-K2057 IonicContact OE1-NZ 2.67Å; E1869-K2057 IonicContact OE2-NZ 2.8Å; E1869-K2057 PolarHBondContact OE2-NZ 2.7Å
1870N72.4Confident79.1Confident70 Ų7048 Ų4837%0.37423%0.229SC..SBendtrans-144.9137.5-179-52.9-102.2000111.4R1775 Y1866 C1867 I1868 V1872R1775-N1870 PolarHBondContact NH1-O 3.38Å; R1775-N1870 PolarHBondContact NH2-O 2.99Å; Y1866-N1870 VanDerWaalsContact CD2-ND2 3.3Å; Y1866-N1870 WeakPolarHBondContact CD2-ND2 3.47Å; Y1866-N1870 HydrophobicContact CE2-CB 4.33Å; Y1866-N1870 WeakPolarHBondContact O-CB 3.49Å; Y1866-N1870 PolarHBondContact O-N 2.82Å; Y1866-N1870 PolarHBondContact O-ND2 3.16Å; C1867-N1870 VanDerWaalsContact O-O 3.09Å; I1868-N1870 PolarHBondContact O-N 3.29Å; N1870-V1872 VanDerWaalsContact C-N 3.27Å; N1870-V1872 HydrophobicContact CB-CG2 3.84Å; N1870-V1872 VanDerWaalsContact O-CG2 3.27Å; N1870-V1872 WeakPolarHBondContact O-CG2 3.47Å; N1870-V1872 PolarHBondContact O-N 3.47Å
1871N69.5Low78.7Confident115 Ų11549.1 Ų49.162%0.61523%0.234SC*.  trans-75.475.8172.6-77.715.8000111.4
1872V68.9Low78.2Confident18 Ų1853 Ų5311%0.10925%0.251CS..  trans-103.5144.6176.7-113.60000111.7R1775 C1779 Y1866 N1870 E1876R1775-V1872 WeakPolarHBondContact CD-O 3.49Å; R1775-V1872 VanDerWaalsContact CG-O 3.25Å; R1775-V1872 WeakPolarHBondContact CG-O 3.41Å; R1775-V1872 PolarHBondContact NH1-O 3.37Å; C1779-V1872 PolarHBondContact SG-O 3.16Å; Y1866-V1872 HydrophobicContact CD1-CG2 4.24Å; Y1866-V1872 HydrophobicContact CE1-CG1 4.24Å; Y1866-V1872 HydrophobicContact CE1-CG2 3.84Å; N1870-V1872 VanDerWaalsContact C-N 3.27Å; N1870-V1872 HydrophobicContact CB-CG2 3.84Å; N1870-V1872 VanDerWaalsContact O-CG2 3.27Å; N1870-V1872 WeakPolarHBondContact O-CG2 3.47Å; N1870-V1872 PolarHBondContact O-N 3.47Å; V1872-E1876 HydrophobicContact CB-CB 4.5Å; V1872-E1876 HydrophobicContact CG1-CB 3.61Å; V1872-E1876 HydrophobicContact CG1-CG 3.68Å
1873N63.8Low77.8Confident120 Ų12053.5 Ų53.564%0.64226%0.258SS*.  trans-87.8156.6168.6-59.82.9000109.6D1875 E1876N1873-D1875 PolarHBondContact O-N 3.31Å; N1873-D1875 VanDerWaalsContact O-N 3.17Å; N1873-E1876 PolarHBondContact O-N 3.33Å
1874G59.4Low77.4Confident2 Ų254.1 Ų54.12%0.02126%0.261CS..THydrogen-bonded Turntrans-44.4-52.6-17000000116Q1782 E1876 V1877Q1782-G1874 VanDerWaalsContact NE2-C 3.31Å; Q1782-G1874 PolarHBondContact OE1-O 2.87Å; G1874-E1876 PolarHBondContact O-N 3.14Å; G1874-V1877 WeakPolarHBondContact O-CA 3.3Å; G1874-V1877 WeakPolarHBondContact O-CB 3.39Å; G1874-V1877 VanDerWaalsContact O-CG2 3.24Å; G1874-V1877 WeakPolarHBondContact O-CG2 3.5Å; G1874-V1877 PolarHBondContact O-N 2.79Å
1875D66.5Low76.8Confident53 Ų5356.8 Ų56.828%0.28327%0.274SS..Hα-helixtrans-58.6-22.8-171.5-64.93.5000115.3Q1782 N1873 V1877 R1879 F1909 N1910Q1782-D1875 PolarHBondContact NE2-OD1 3.08Å; Q1782-D1875 VanDerWaalsContact NE2-OD1 3.14Å; N1873-D1875 PolarHBondContact O-N 3.31Å; N1873-D1875 VanDerWaalsContact O-N 3.17Å; D1875-V1877 VanDerWaalsContact C-N 3.32Å; D1875-R1879 PolarHBondContact O-N 3.25Å; D1875-F1909 HydrophobicContact CB-CE1 3.99Å; D1875-F1909 HydrophobicContact CB-CZ 3.7Å; D1875-N1910 PolarHBondContact OD2-ND2 2.87Å
1876E74.3Confident75.8Confident59 Ų5959.4 Ų59.428%0.27629%0.294SS..Hα-helixtrans-76.7-20.8176-162.361.9-132.200111.9V1872 N1873 G1874 R1879 R1880V1872-E1876 HydrophobicContact CB-CB 4.5Å; V1872-E1876 HydrophobicContact CG1-CB 3.61Å; V1872-E1876 HydrophobicContact CG1-CG 3.68Å; N1873-E1876 PolarHBondContact O-N 3.33Å; G1874-E1876 PolarHBondContact O-N 3.14Å; E1876-R1879 WeakPolarHBondContact O-CB 3.47Å; E1876-R1879 PolarHBondContact O-N 3.09Å; E1876-R1879 WeakPolarHBondContact OE1-CB 3.25Å; E1876-R1879 WeakPolarHBondContact OE1-CD 3.47Å; E1876-R1879 IonicContact OE1-NH1 3.05Å; E1876-R1879 WeakPolarHBondContact OE2-CD 3.47Å; E1876-R1879 IonicContact OE2-CZ 3.27Å; E1876-R1879 IonicContact OE2-NE 2.72Å; E1876-R1879 IonicContact OE2-NH1 2.69Å; E1876-R1879 PolarHBondContact OE2-NH1 3.09Å; E1876-R1880 WeakPolarHBondContact O-CB 3.34Å; E1876-R1880 PolarHBondContact O-N 3.32Å
1877V79.4Confident74.5Confident0 Ų060.8 Ų60.80%031%0.309CS..Hα-helixtrans-60.4-46.5169.9-178.60000110C1779 I1783 L1863 G1874 D1875 R1879 R1880 Y1881C1779-V1877 HydrophobicContact CB-CG2 4.4Å; I1783-V1877 HydrophobicContact CG1-CG1 3.66Å; L1863-V1877 HydrophobicContact CD2-CG1 4.32Å; G1874-V1877 WeakPolarHBondContact O-CA 3.3Å; G1874-V1877 WeakPolarHBondContact O-CB 3.39Å; G1874-V1877 VanDerWaalsContact O-CG2 3.24Å; G1874-V1877 WeakPolarHBondContact O-CG2 3.5Å; G1874-V1877 PolarHBondContact O-N 2.79Å; D1875-V1877 VanDerWaalsContact C-N 3.32Å; V1877-R1879 VanDerWaalsContact C-N 3.29Å; V1877-R1879 PolarHBondContact O-N 2.64Å; V1877-R1880 PolarHBondContact O-N 2.96Å; V1877-Y1881 WeakPolarHBondContact O-CB 3.25Å; V1877-Y1881 PolarHBondContact O-N 3.18Å
1878L77.9Confident72.7Confident67 Ų6763.3 Ų63.335%0.35132%0.322SS..Hα-helixtrans-64.6-33.1177.8-174.766.4000112.2L1786 Y1881 K1882L1786-L1878 HydrophobicContact CD2-CD1 3.7Å; L1878-Y1881 HydrophobicContact CD1-CD1 4.22Å; L1878-K1882 HydrophobicContact CG-CD 4.48Å; L1878-K1882 WeakPolarHBondContact O-CD 3.18Å; L1878-K1882 VanDerWaalsContact O-CG 3.27Å; L1878-K1882 WeakPolarHBondContact O-CG 3.39Å; L1878-K1882 PolarHBondContact O-N 2.84Å; L1878-K1882 VanDerWaalsContact O-N 3.15Å
1879R78.5Confident70.4Confident96 Ų9667.6 Ų67.636%0.36234%0.344SS..Hα-helixtrans-68.7-46.8170.7-77.2172.8167.2-172.5-2111.8D1875 E1876 V1877 Y1881 K1882 L1883 F1909D1875-R1879 PolarHBondContact O-N 3.25Å; E1876-R1879 WeakPolarHBondContact O-CB 3.47Å; E1876-R1879 PolarHBondContact O-N 3.09Å; E1876-R1879 WeakPolarHBondContact OE1-CB 3.25Å; E1876-R1879 WeakPolarHBondContact OE1-CD 3.47Å; E1876-R1879 IonicContact OE1-NH1 3.05Å; E1876-R1879 WeakPolarHBondContact OE2-CD 3.47Å; E1876-R1879 IonicContact OE2-CZ 3.27Å; E1876-R1879 IonicContact OE2-NE 2.72Å; E1876-R1879 IonicContact OE2-NH1 2.69Å; E1876-R1879 PolarHBondContact OE2-NH1 3.09Å; V1877-R1879 VanDerWaalsContact C-N 3.29Å; V1877-R1879 PolarHBondContact O-N 2.64Å; R1879-Y1881 VanDerWaalsContact C-N 3.31Å; R1879-Y1881 PolarHBondContact O-N 3.12Å; R1879-K1882 PolarHBondContact O-N 3.07Å; R1879-L1883 WeakPolarHBondContact O-CB 3.43Å; R1879-L1883 PolarHBondContact O-N 3.28Å; R1879-F1909 VanDerWaalsContact CZ-CZ 3.49Å; R1879-F1909 VanDerWaalsContact NE-CZ 3.33Å; R1879-F1909 VanDerWaalsContact NH2-CD2 3.26Å
1880R82Confident67.9Low81 Ų8169 Ų6931%0.30636%0.361SS..Hα-helixtrans-61.8-40.3179.7-167.371.8179.397.2-4.2111.5L1863 Y1866 E1876 V1877 L1883 L1884L1863-R1880 HydrophobicContact CD2-CB 4Å; L1863-R1880 HydrophobicContact CD2-CG 4.02Å; Y1866-R1880 HydrophobicContact CD1-CB 4.03Å; Y1866-R1880 HydrophobicContact CD1-CG 3.66Å; Y1866-R1880 HydrophobicContact CE1-CB 3.86Å; Y1866-R1880 HydrophobicContact CE1-CG 3.78Å; Y1866-R1880 HydrophobicContact CG-CG 4.08Å; E1876-R1880 WeakPolarHBondContact O-CB 3.34Å; E1876-R1880 PolarHBondContact O-N 3.32Å; V1877-R1880 PolarHBondContact O-N 2.96Å; R1880-L1883 PolarHBondContact O-N 3.1Å; R1880-L1884 HydrophobicContact CG-CD1 4.41Å; R1880-L1884 VanDerWaalsContact O-CG 3.31Å; R1880-L1884 WeakPolarHBondContact O-CG 3.41Å; R1880-L1884 PolarHBondContact O-N 3.39Å
1881Y83Confident65.6Low27 Ų2770.8 Ų70.811%0.10638%0.378CS..Hα-helixtrans-60-51.6172.6169.3-119.8000112.3L1786 I1788 L1863 V1877 L1878 R1879 L1883 L1884 I1885L1786-Y1881 HydrophobicContact CB-CE1 4.4Å; L1786-Y1881 HydrophobicContact CD1-CD1 3.99Å; L1786-Y1881 HydrophobicContact CD1-CD2 3.87Å; L1786-Y1881 HydrophobicContact CD1-CE1 4.39Å; L1786-Y1881 HydrophobicContact CD1-CE2 4.3Å; L1786-Y1881 HydrophobicContact CD1-CG 3.68Å; L1786-Y1881 HydrophobicContact CD2-CD1 3.7Å; L1786-Y1881 HydrophobicContact CD2-CE1 3.87Å; L1786-Y1881 HydrophobicContact CD2-CG 4.26Å; L1786-Y1881 HydrophobicContact CG-CD1 4.35Å; L1786-Y1881 HydrophobicContact CG-CE1 4.44Å; I1788-Y1881 HydrophobicContact CB-CE2 4.36Å; I1788-Y1881 HydrophobicContact CD1-CD2 3.82Å; I1788-Y1881 HydrophobicContact CD1-CE2 3.47Å; I1788-Y1881 VanDerWaalsContact CD1-CE2 3.47Å; I1788-Y1881 HydrophobicContact CG1-CD2 4.33Å; I1788-Y1881 HydrophobicContact CG1-CE2 3.58Å; I1788-Y1881 HydrophobicContact CG2-CE2 3.87Å; L1863-Y1881 HydrophobicContact CD1-CD2 4.13Å; L1863-Y1881 HydrophobicContact CD1-CG 4.49Å; V1877-Y1881 WeakPolarHBondContact O-CB 3.25Å; V1877-Y1881 PolarHBondContact O-N 3.18Å; L1878-Y1881 HydrophobicContact CD1-CD1 4.22Å; R1879-Y1881 VanDerWaalsContact C-N 3.31Å; R1879-Y1881 PolarHBondContact O-N 3.12Å; Y1881-L1883 PolarHBondContact O-N 2.95Å; Y1881-L1884 PolarHBondContact O-N 3Å; Y1881-I1885 HydrophobicContact CD1-CD1 4.27Å; Y1881-I1885 HydrophobicContact CD2-CD1 3.91Å; Y1881-I1885 HydrophobicContact CD2-CG1 4.35Å; Y1881-I1885 HydrophobicContact CE1-CD1 3.78Å; Y1881-I1885 HydrophobicContact CE2-CD1 3.35Å; Y1881-I1885 HydrophobicContact CE2-CG1 4.05Å; Y1881-I1885 HydrophobicContact CG-CD1 4.35Å; Y1881-I1885 PolarHBondContact O-N 2.81Å
1882K80.9Confident63.6Low127 Ų12770.8 Ų70.855%0.55239%0.385SS*.Hα-helixtrans-58.4-37.1174.8-74.7168.2-1781710112.1L1878 R1879 S1886L1878-K1882 HydrophobicContact CG-CD 4.48Å; L1878-K1882 WeakPolarHBondContact O-CD 3.18Å; L1878-K1882 VanDerWaalsContact O-CG 3.27Å; L1878-K1882 WeakPolarHBondContact O-CG 3.39Å; L1878-K1882 PolarHBondContact O-N 2.84Å; L1878-K1882 VanDerWaalsContact O-N 3.15Å; R1879-K1882 PolarHBondContact O-N 3.07Å; K1882-S1886 WeakPolarHBondContact O-CB 3.34Å; K1882-S1886 PolarHBondContact O-N 3.08Å; K1882-S1886 PolarHBondContact O-OG 3.4Å
1883L81Confident61.5Low91 Ų9177.8 Ų77.848%0.47642%0.421SS..Hα-helixtrans-69.3-43.6177.5-160.5150.2000111.6R1879 R1880 Y1881 S1886 T1887R1879-L1883 WeakPolarHBondContact O-CB 3.43Å; R1879-L1883 PolarHBondContact O-N 3.28Å; R1880-L1883 PolarHBondContact O-N 3.1Å; Y1881-L1883 PolarHBondContact O-N 2.95Å; L1883-S1886 WeakPolarHBondContact CA-OG 3.3Å; L1883-S1886 PolarHBondContact O-N 2.86Å; L1883-S1886 VanDerWaalsContact O-N 3.1Å; L1883-S1886 PolarHBondContact O-OG 3.24Å; L1883-T1887 HydrophobicContact CD2-CG2 4.13Å; L1883-T1887 PolarHBondContact O-N 3.42Å; L1883-T1887 PolarHBondContact O-OG1 3.27Å
1884L79.2Confident59.7Low12 Ų1280.1 Ų80.16%0.06343%0.433CS..Hα-helixtrans-61.5-43.8174.8-72.8167.6000112.2L1859 K1862 L1863 R1880 Y1881 S1886 T1887 D1888L1859-L1884 HydrophobicContact CD2-CB 3.82Å; L1859-L1884 HydrophobicContact CD2-CD1 4.19Å; L1859-L1884 HydrophobicContact CD2-CG 4.48Å; K1862-L1884 HydrophobicContact CB-CD1 4.27Å; K1862-L1884 HydrophobicContact CD-CD2 4.37Å; L1863-L1884 HydrophobicContact CD2-CD1 3.91Å; L1863-L1884 HydrophobicContact CG-CD1 4.09Å; R1880-L1884 HydrophobicContact CG-CD1 4.41Å; R1880-L1884 VanDerWaalsContact O-CG 3.31Å; R1880-L1884 WeakPolarHBondContact O-CG 3.41Å; R1880-L1884 PolarHBondContact O-N 3.39Å; Y1881-L1884 PolarHBondContact O-N 3Å; L1884-S1886 VanDerWaalsContact C-N 3.27Å; L1884-S1886 PolarHBondContact O-N 3.17Å; L1884-T1887 PolarHBondContact O-N 3.22Å; L1884-T1887 PolarHBondContact O-OG1 2.88Å; L1884-T1887 VanDerWaalsContact O-OG1 3.05Å; L1884-D1888 WeakPolarHBondContact O-CB 3.35Å; L1884-D1888 PolarHBondContact O-N 3.01Å; L1884-D1888 VanDerWaalsContact O-N 3.09Å
1885I76.2Confident58Low61 Ų6187.9 Ų87.931%0.31347%0.469SS..Hα-helixtrans-60.3-40172.1-68.7167.8000110.7Y1881 T1887 I1889Y1881-I1885 HydrophobicContact CD1-CD1 4.27Å; Y1881-I1885 HydrophobicContact CD2-CD1 3.91Å; Y1881-I1885 HydrophobicContact CD2-CG1 4.35Å; Y1881-I1885 HydrophobicContact CE1-CD1 3.78Å; Y1881-I1885 HydrophobicContact CE2-CD1 3.35Å; Y1881-I1885 HydrophobicContact CE2-CG1 4.05Å; Y1881-I1885 HydrophobicContact CG-CD1 4.35Å; Y1881-I1885 PolarHBondContact O-N 2.81Å; I1885-T1887 VanDerWaalsContact C-N 3.29Å; I1885-T1887 PolarHBondContact O-N 2.9Å; I1885-I1889 WeakPolarHBondContact O-CG1 3.32Å
1886S65Low56Low85 Ų8592.1 Ų92.159%0.59449%0.492SS*.Hα-helixtrans-71.5-19.3-179.174.80000114.5K1882 L1883 L1884K1882-S1886 WeakPolarHBondContact O-CB 3.34Å; K1882-S1886 PolarHBondContact O-N 3.08Å; K1882-S1886 PolarHBondContact O-OG 3.4Å; L1883-S1886 WeakPolarHBondContact CA-OG 3.3Å; L1883-S1886 PolarHBondContact O-N 2.86Å; L1883-S1886 VanDerWaalsContact O-N 3.1Å; L1883-S1886 PolarHBondContact O-OG 3.24Å; L1884-S1886 VanDerWaalsContact C-N 3.27Å; L1884-S1886 PolarHBondContact O-N 3.17Å
1887T57.5Low53.7Low84 Ų8494.9 Ų94.952%0.51552%0.518SS..Hα-helixtrans-92.5-31.6176.850.80000113.4L1883 L1884 I1885L1883-T1887 HydrophobicContact CD2-CG2 4.13Å; L1883-T1887 PolarHBondContact O-N 3.42Å; L1883-T1887 PolarHBondContact O-OG1 3.27Å; L1884-T1887 PolarHBondContact O-N 3.22Å; L1884-T1887 PolarHBondContact O-OG1 2.88Å; L1884-T1887 VanDerWaalsContact O-OG1 3.05Å; I1885-T1887 VanDerWaalsContact C-N 3.29Å; I1885-T1887 PolarHBondContact O-N 2.9Å
1888D47.9Very low51Low54 Ų54102 Ų10229%0.28956%0.556SS.*SBendtrans-101.918.6-163.9-6321.3000112.8Y1855 K1862 L1884 P1890Y1855-D1888 HydrophobicContact CE2-CB 4.21Å; Y1855-D1888 WeakPolarHBondContact OH-CB 3.39Å; K1862-D1888 IonicContact NZ-OD2 3.35Å; K1862-D1888 PolarHBondContact NZ-OD2 3.49Å; K1862-D1888 VanDerWaalsContact NZ-OD2 3.11Å; L1884-D1888 WeakPolarHBondContact O-CB 3.35Å; L1884-D1888 PolarHBondContact O-N 3.01Å; L1884-D1888 VanDerWaalsContact O-N 3.09Å; D1888-P1890 VanDerWaalsContact O-CD 3.26Å; D1888-P1890 WeakPolarHBondContact O-CD 3.43Å
1889I35.4Very low48.5Very low110 Ų110107.5 Ų107.556%0.56458%0.58SS**  trans-83.7112.1171.2-65.6165.9000110.5I1885 S1891I1885-I1889 WeakPolarHBondContact O-CG1 3.32Å; I1889-S1891 PolarHBondContact O-N 3.04Å
1890P28Very low46.1Very low118 Ų118111.2 Ų111.277%0.76661%0.605SS**  trans-7399.7173.830.1-33.9000109.8D1888 P1892D1888-P1890 VanDerWaalsContact O-CD 3.26Å; D1888-P1890 WeakPolarHBondContact O-CD 3.43Å; P1890-P1892 VanDerWaalsContact O-CD 3.22Å; P1890-P1892 WeakPolarHBondContact O-CD 3.48Å
1891S23.7Very low43.4Very low106 Ų106113.8 Ų113.874%0.74163%0.629SS**  trans-66.9114.7-177.6-66.50000111.9I1889I1889-S1891 PolarHBondContact O-N 3.04Å
1892P27.7Very low40.7Very low116 Ų116116.8 Ų116.875%0.75366%0.66SS**  trans-76.2133.4170.532.4-32.1000109.6P1890 L1894P1890-P1892 VanDerWaalsContact O-CD 3.22Å; P1890-P1892 WeakPolarHBondContact O-CD 3.48Å; P1892-L1894 PolarHBondContact O-N 3.21Å
1893N23.5Very low38.2Very low164 Ų164116.7 Ų116.788%0.87767%0.67SS**  trans-38.1121.2-175.2-57-57.1000115.1
1894L27.4Very low35.5Very low169 Ų169118.2 Ų118.289%0.88568%0.683SS**  trans-145.9120.5146.1-143.188.3000110.6P1892P1892-L1894 PolarHBondContact O-N 3.21Å
1895E22.7Very low32.9Very low165 Ų165122.4 Ų122.477%0.77171%0.714SS**  trans-81.5160164.8-62.1175.5134.100110
1896N24.3Very low30.3Very low143 Ų143124.3 Ų124.377%0.76573%0.733SS**  trans70.497.4165.8-46.2-63000117.8
1897S26.2Very low28.3Very low117 Ų117127.4 Ų127.482%0.81874%0.742SS**  -169135.2104.653.90000111.7
1898D23.7Very low26.7Very low150 Ų150127.1 Ų127.180%0.80274%0.744SS**  trans-75.6172.5177-60.6-77.5000113.8
1899Q25.1Very low25.5Very low182 Ų182129.8 Ų129.885%0.8575%0.753SS**  trans73.7103.9162.8-52.717821.600117.1
1900I27.5Very low24.9Very low173 Ų173129.1 Ų129.189%0.88775%0.751SS**  -152.8142.990.8-93.1156.1000109.6
1901T24.5Very low24.8Very low135 Ų135130 Ų13083%0.82874%0.744SS**  trans-99131.6-175.849.80000112.9
1902A28.1Very low24.6Very low91 Ų91131.8 Ų131.875%0.75275%0.746SS**  trans-172.179.414900000114.4
1903T27.1Very low24.6Very low125 Ų125133.7 Ų133.777%0.76775%0.749SS**  trans33.5116.3134.954.80000122.8
1904T25.8Very low24.6Very low122 Ų122131.1 Ų131.175%0.74874%0.739SS**  74.9103.5126.261.30000123.6
1905S22.9Very low24.4Very low100 Ų100129.3 Ų129.370%0.69974%0.735SS**  72.9122.6117.570.40000123.8
1906S22.1Very low24.5Very low102 Ų102130 Ų13071%0.71374%0.738SS**  trans51.7133.9138.660.40000120.2
1907N24.4Very low24.4Very low149 Ų149132 Ų13280%0.79774%0.74SS**  cis-165.1158.531.7-130.6-1000114.5
1908S23.1Very low24.4Very low79 Ų79137.8 Ų137.855%0.55274%0.744SS**  trans39.3109.2149.561.30000123.7
1909F22.5Very low24.4Very low109 Ų109137.2 Ų137.248%0.47875%0.746SS.*  65.9133.8120-81.2-40.6000124.9D1875 R1879D1875-F1909 HydrophobicContact CB-CE1 3.99Å; D1875-F1909 HydrophobicContact CB-CZ 3.7Å; R1879-F1909 VanDerWaalsContact CZ-CZ 3.49Å; R1879-F1909 VanDerWaalsContact NE-CZ 3.33Å; R1879-F1909 VanDerWaalsContact NH2-CD2 3.26Å
1910N23.7Very low24.4Very low97 Ų97140.3 Ų140.352%0.51975%0.75SS.*  trans62.7149.9132.6-65.12.4000121.1D1875D1875-N1910 PolarHBondContact OD2-ND2 2.87Å
1911H23.8Very low24.2Very low136 Ų136138.6 Ų138.663%0.6375%0.748SS**  cis-155.7154.5-12.7-124.8-47000109.1
1912N21.6Very low24.1Very low143 Ų143141.7 Ų141.777%0.76575%0.75SS**  trans149.4121135.6-79.6-25.2000112.5
1913L25.9Very low23.9Very low156 Ų156144.3 Ų144.382%0.81775%0.749SS**  175.2111.8119.5-94.4163.4000111.9
1914T25Very low23.6Very low110 Ų110149.5 Ų149.568%0.67576%0.757SS**  trans31.8118.713956.50000121.1
1915V22.6Very low23.4Very low132 Ų132151.6 Ų151.680%0.876%0.757SS**  37.1111.4117.3-175.50000117.7
1916E25Very low23.4Very low179 Ų179152.6 Ų152.684%0.83676%0.759SS**  -152.5153.6116.5-131.5-170.4-156.700112.9
1917K22.5Very low23.5Very low186 Ų186154.6 Ų154.681%0.80976%0.762SS**  trans-88.4141.5-176.8-61.1172.3179.8175.70111.1
1918R25.9Very low23.4Very low238 Ų238158.7 Ų158.790%0.89877%0.766SS**  trans-162.8120.5139.2-109.9148.9-169165.67.3113.9
1919T22.9Very low23.4Very low138 Ų138166.9 Ų166.985%0.84779%0.785SS**  trans-78.2149.9171.646.90000111.6
1920R25Very low23.4Very low246 Ų246168.9 Ų168.993%0.92880%0.796SS**  trans-162.6101.2150.9-121.2173.6-172.1168.85.1113.1
1921T23.4Very low23.5Very low137 Ų137172 Ų17284%0.8481%0.805SS**  trans-73.8147157.845.50000109.9
1922K23.7Very low23.5Very low200 Ų200173.5 Ų173.587%0.8782%0.816SS**  trans-151.1124.5159.3-114.3-170.5178.9-1710110.3
1923I22.7Very low23.8Very low146 Ų146173.1 Ų173.175%0.74982%0.818SS**  trans-74.1144.9-179.7-60.3162.2000110.1
1924Y21.6Very low23.6Very low235 Ų235172.5 Ų172.592%0.92282%0.816SS**  trans-141.1161.9143.6-101.2-69.4000110.7
1925H20.8Very low23.6Very low165 Ų165176.8 Ų176.876%0.76483%0.825SS**  trans-138.5162.5-160.8-152.8-66.7000109.5
1926V22.8Very low23.7Very low122 Ų122175.1 Ų175.174%0.73982%0.818SS**  trans81.8138.3167.2-171.90000117.5
1927D24Very low23.7Very low144 Ų144176.1 Ų176.177%0.7782%0.816SS**  trans-50.7139174.8-59.2-83.3000116.1
1928R22.2Very low23.7Very low235 Ų235170.2 Ų170.289%0.88780%0.798SS**  175.1123.5107.8-97.6173.5173-174.5-0.8112.2
1929R23.7Very low23.6Very low250 Ų250163.1 Ų163.194%0.94379%0.785SS**  trans-173.7105131.6-106.7163.6-176.6177.42112.8
1930E23.3Very low23.8Very low152 Ų152166.7 Ų166.771%0.7179%0.789SS**  trans-86.8146.9148.1-90.7-150.9127.400110.3
1931K25.3Very low23.8Very low163 Ų163163.8 Ų163.871%0.70979%0.786SS**  trans67.475.5147.1-67.8161.9-174151.40119.3
1932I24.7Very low23.9Very low167 Ų167168.2 Ų168.286%0.85679%0.787SS**  trans-132.2127133.8-66.9-177.3000105.1
1933V25.9Very low23.8Very low135 Ų135164.9 Ų164.982%0.81877%0.772SS**  cis-145.3165.1-0.9990000111.2
1934N23.4Very low23.8Very low143 Ų143164 Ų16477%0.76577%0.765SS**  trans-80.3147.5-179.4-69.1-48.5000114.7
1935K23.5Very low23.9Very low199 Ų199155.8 Ų155.887%0.86574%0.737SS**  trans145.7130.2146.4-85.2166.5-177.9178.40109
1936C24.8Very low24.1Very low98 Ų98152.8 Ų152.866%0.66272%0.723SS**SBendcis-155.1159.34.5-82.50000107.6
1937Y25.7Very low24.2Very low199 Ų199158.3 Ų158.378%0.7873%0.73SS**  cis-156.1153.8-12.1-127.5-65.1000107.8
1938S21.9Very low24.3Very low62 Ų62160.8 Ų160.843%0.43473%0.729SS.*  trans-91.3144.8175.563.30000113.8S621S621-S1938 PolarHBondContact O-OG 3.1Å; S621-S1938 PolarHBondContact OG-OG 2.74Å
1939S24.6Very low24.4Very low89 Ų89161 Ų16162%0.62273%0.73SS**  trans63.6132.215077.20000121.3S621S621-S1939 PolarHBondContact OG-OG 2.99Å
1940K26.8Very low24.4Very low213 Ų213154.3 Ų154.393%0.92672%0.721SS**  trans-146.3122.9152.5-130.2177.7-174.1177.30109.7
1941Q24.5Very low24.6Very low185 Ų185153.9 Ų153.986%0.86472%0.723SS**  trans-86.5140174.2-66176.3-20.700111.4
1942R25.4Very low24.6Very low231 Ų231157.9 Ų157.987%0.87273%0.733SS**  trans176.7120137.7-97.5162.7-176.9-154.1-1.5108.8
1943K23.3Very low24.5Very low129 Ų129156.5 Ų156.556%0.56173%0.727SS**  62.999.388-74.5-174.6172.8177.90113.4T562T562-K1943 HydrophobicContact CG2-CD 4.14Å
1944E22.5Very low24.4Very low127 Ų127157.1 Ų157.159%0.59373%0.726SS**  trans12.9139.3132.1177.453.7-178.100119.4R560R560-E1944 IonicContact CZ-OE1 3.92Å; R560-E1944 IonicContact NH1-OE1 2.64Å; R560-E1944 PolarHBondContact NH1-OE1 3.36Å; R560-E1944 IonicContact NH2-OE1 3.38Å; R560-E1944 PolarHBondContact NH2-OE1 3.36Å
1945I23.6Very low24.5Very low64 Ų64159.9 Ų159.933%0.32873%0.734SS.*  trans96.8108.2169.3-67.8148.1000120.2R560 T561R560-I1945 HydrophobicContact CB-CD1 3.96Å; R560-I1945 HydrophobicContact CG-CD1 4.2Å; T561-I1945 HydrophobicContact CG2-CD1 3.66Å; T561-I1945 WeakPolarHBondContact OG1-CD1 3.42Å
1946H24Very low24.5Very low101 Ų101155.5 Ų155.547%0.46873%0.728SS.*  trans46.5121.8143.2-66.7-22000121.6
1947R25.5Very low24.6Very low239 Ų239157.5 Ų157.590%0.90273%0.732SS**  -130.412793.3-139.3170.6-168.6162.23111.3
1948R26.5Very low24.4Very low195 Ų195151.4 Ų151.474%0.73672%0.718SS**  trans-83.1152.4162.1-72.4177.2168.3-175.6-5.5108.3
1949R24.2Very low24.6Very low241 Ų241153.8 Ų153.891%0.90972%0.721SS**  -167.3123.5124.8-107.9162.9-172.5-173.11.5113.8
1950S24.3Very low24.6Very low108 Ų108156.8 Ų156.876%0.75573%0.725SS**  trans-140.2143.9154.162.40000105.2
1951L26.5Very low24.5Very low143 Ų143150.1 Ų150.175%0.74971%0.705SS**  cis-132.7177.6-11.7-65.289.4000108.4
1952R24.9Very low24.6Very low248 Ų248152.6 Ų152.694%0.93671%0.708SS**  trans-134.4144.3130.2-110.7-177.6-179.7178.2-0.5109.5
1953L24Very low24.6Very low137 Ų137145 Ų14572%0.71770%0.702SS**  trans-87.1148.7179.6-62.484.1000109.8
1954N22.8Very low24.7Very low149 Ų149143 Ų14380%0.79771%0.71SS**  177.2107.3111.7-89.7-5.7000110.8
1955Q26.5Very low24.9Very low201 Ų201148.4 Ų148.494%0.93973%0.726SS**  -173.7173.5114-103.7173.9-9.300111
1956S22.3Very low25.1Very low106 Ų106150.9 Ų150.974%0.74174%0.739SS**  trans-138.1134.3-17553.50000109.5
1957L26.1Very low25.2Very low141 Ų141152.8 Ų152.874%0.73875%0.753SS**  trans-166-170.7146.1-105.4161.3000110.2
1958S22.9Very low25.3Very low71 Ų71148 Ų14850%0.49775%0.745SS.*  trans-154.4171.2-152.467.50000116.8T1144T1144-S1958 PolarHBondContact N-O 3.22Å
1959K25.1Very low25.3Very low112 Ų112142.6 Ų142.649%0.48773%0.731SS.*  trans82.5164.4-168.6-56.7160.9178.4178.30112.1E1143 T1144 N1145E1143-K1959 HydrophobicContact CB-CD 4.43Å; E1143-K1959 HydrophobicContact CG-CB 4.27Å; E1143-K1959 HydrophobicContact CG-CD 3.2Å; E1143-K1959 HydrophobicContact CG-CG 4.39Å; E1143-K1959 WeakPolarHBondContact OE1-CD 3.46Å; E1143-K1959 IonicContact OE1-NZ 2.65Å; E1143-K1959 PolarHBondContact OE1-NZ 3.18Å; T1144-K1959 WeakPolarHBondContact CA-O 3.5Å; T1144-K1959 HydrophobicContact CG2-CB 3.65Å; N1145-K1959 PolarHBondContact N-O 3.36Å; N1145-K1959 PolarHBondContact OD1-O 3.32Å
1960H25.1Very low25.5Very low151 Ų151139 Ų13970%0.69973%0.73SS**  cis93.56817.4-83-62.2000119.8N1145N1145-H1960 PolarHBondContact OD1-N 3.13Å
1961S25.7Very low25.7Very low74 Ų74138.4 Ų138.452%0.51772%0.722SS.*  63.3129.7123.264.70000123.6N1145N1145-S1961 PolarHBondContact OD1-N 2.88Å
1962Y24.8Very low25.6Very low236 Ų236137.5 Ų137.593%0.92572%0.718SS**  trans-149.9155.6151.6-124.4-76.6000112.3
1963G26.5Very low25.6Very low72 Ų72133.4 Ų133.474%0.74271%0.706SS**  trans81.389.5149.100000118.8
1964A25.7Very low25.7Very low88 Ų88133.5 Ų133.573%0.72771%0.708SS**  trans-89.7146.3157.700000110.5
1965Y26.8Very low25.6Very low239 Ų239133.9 Ų133.994%0.93771%0.709SS**  trans-85.399.3150.8-95-79.8000108.2
1966L26.9Very low25.5Very low116 Ų116131.6 Ų131.661%0.60770%0.703SS**  trans-87.1166.9150.5-73.8169.1000108.3
1967N26.3Very low25.6Very low141 Ų141135.7 Ų135.775%0.75471%0.708SS**  -167.6131.4120.1-10948.7000108.2
1968D27.1Very low25.6Very low139 Ų139135 Ų13574%0.74370%0.704SS**  cis-123.9164.8-0.7-83.2-84.3000111.2
1969D26.5Very low25.6Very low82 Ų82140.2 Ų140.244%0.43973%0.726SS.*  trans-105.7112.8-178.5173.376.2000111V1971 N1972D1969-V1971 PolarHBondContact O-N 2.94Å; D1969-V1971 VanDerWaalsContact O-N 3.16Å; D1969-V1971 VanDerWaalsContact OD2-CA 3.32Å; D1969-V1971 WeakPolarHBondContact OD2-CA 3.35Å; D1969-V1971 PolarHBondContact OD2-N 3.02Å; D1969-V1971 VanDerWaalsContact OD2-N 3.1Å; D1969-N1972 VanDerWaalsContact OD1-CB 3.3Å; D1969-N1972 WeakPolarHBondContact OD1-CB 3.43Å; D1969-N1972 PolarHBondContact OD1-N 3.39Å; D1969-N1972 VanDerWaalsContact OD1-N 3.08Å; D1969-N1972 PolarHBondContact OD2-N 2.94Å; D1969-N1972 VanDerWaalsContact OD2-N 3.1Å
1970D28.9Very low25.4Very low166 Ų166142.5 Ų142.589%0.88874%0.736SS**SBendtrans-88.467.5163.9-142.23.2000110.7
1971V28.9Very low25.6Very low95 Ų95143.6 Ų143.658%0.57674%0.741SS**  trans71.866158.9-158.20000117D1969 K1973D1969-V1971 PolarHBondContact O-N 2.94Å; D1969-V1971 VanDerWaalsContact O-N 3.16Å; D1969-V1971 VanDerWaalsContact OD2-CA 3.32Å; D1969-V1971 WeakPolarHBondContact OD2-CA 3.35Å; D1969-V1971 PolarHBondContact OD2-N 3.02Å; D1969-V1971 VanDerWaalsContact OD2-N 3.1Å; V1971-K1973 HydrophobicContact CG1-CD 4.39Å
1972N23Very low25.4Very low124 Ų124151.6 Ų151.666%0.66376%0.76SS**  trans-78135.3145.7-167.2-12.9000109.8D1969D1969-N1972 VanDerWaalsContact OD1-CB 3.3Å; D1969-N1972 WeakPolarHBondContact OD1-CB 3.43Å; D1969-N1972 PolarHBondContact OD1-N 3.39Å; D1969-N1972 VanDerWaalsContact OD1-N 3.08Å; D1969-N1972 PolarHBondContact OD2-N 2.94Å; D1969-N1972 VanDerWaalsContact OD2-N 3.1Å
1973K25.1Very low25.4Very low161 Ų161151 Ų15170%0.776%0.756SS**  trans-152.5113.9173.5-117.5156.6-165.2154.70115.8V1971V1971-K1973 HydrophobicContact CG1-CD 4.39Å
1974N26.2Very low25.3Very low139 Ų139157.5 Ų157.574%0.74376%0.758SS**  trans76.969.2161.9-47.9-64.6000118.1
1975L22.3Very low25.2Very low158 Ų158161.1 Ų161.183%0.82776%0.758SS**  -82.3161.7125.4-132.185000109.3
1976N23Very low25.1Very low152 Ų152157.9 Ų157.981%0.81375%0.752SS**  trans71.476.4177.7-62.8-28.8000118.2
1977K24.4Very low25Very low192 Ų192161.1 Ų161.184%0.83577%0.768SS**  trans-139.7139.3141.1-115.3169.9-172.7165.10111.6
1978L27.1Very low24.9Very low128 Ų128158.3 Ų158.367%0.6777%0.773SS**  trans60.679174.5-78.775.2000117.5K1980L1978-K1980 HydrophobicContact CB-CB 4.15Å; L1978-K1980 HydrophobicContact CD2-CB 4.32Å; L1978-K1980 HydrophobicContact CG-CB 4Å; L1978-K1980 PolarHBondContact O-N 3.28Å
1979N21.6Very low24.8Very low179 Ų179155.3 Ų155.396%0.95778%0.775SS**  trans-72.169.2138.1-161.6-12.8000109.1
1980K22.5Very low24.7Very low161 Ų161162.5 Ų162.570%0.780%0.796SS**  trans-161.962.7-170.2-148.9175.4-168.1172.40116.5L1978L1978-K1980 HydrophobicContact CB-CB 4.15Å; L1978-K1980 HydrophobicContact CD2-CB 4.32Å; L1978-K1980 HydrophobicContact CG-CB 4Å; L1978-K1980 PolarHBondContact O-N 3.28Å
1981H27.4Very low24.4Very low174 Ų174160.9 Ų160.981%0.80679%0.785SS**  trans-161.4110.3144.5-105.7-69.1000112.9
1982R23.1Very low24Very low242 Ų242161.3 Ų161.391%0.91379%0.793SS**  trans-126.3119.9154.9-151.3177.1-172-165.62.7108.3
1983R25.1Very low24Very low223 Ų223160.1 Ų160.184%0.84279%0.794SS**SBendtrans89.1141.5174.4-57.7-177.1164179.3-6119.1
1984R22.6Very low24.1Very low208 Ų208164 Ų16479%0.78581%0.805SS**  trans70.8139.3-178.2-54.8-170.4179.7-164.2-1.7114.2
1985F24.7Very low24Very low165 Ų165166.2 Ų166.272%0.72481%0.807SS**  cis-119.9-169.722.6-100.9-85.6000116.8
1986Q25.1Very low24.1Very low171 Ų171164.1 Ų164.180%0.79980%0.797SS**  trans-84167-155.1-68.4156.6-89.100116.6
1987L24.6Very low24.2Very low183 Ų183165.1 Ų165.196%0.95880%0.801SS**  trans-91.4158.2170.7-89.4163.2000113.1
1988G24.1Very low24.3Very low82 Ų82163.6 Ų163.685%0.84580%0.801SS**  trans86137.2162.300000115.5
1989G24.5Very low24.1Very low76 Ų76162.2 Ų162.278%0.78480%0.798SS**  cis-174.8152.1-6.400000107.4
1990R24.3Very low24.2Very low233 Ų233158.5 Ų158.588%0.87979%0.786SS**  -168.6154.356.9-107.3178.6165.3179.7-3.1110.6
1991I22.2Very low24.3Very low132 Ų132158.1 Ų158.168%0.67779%0.791SS**  trans60.7100.1143.4-55.5165.7000119.8
1992S21.8Very low24.2Very low105 Ų105157.2 Ų157.273%0.73479%0.793SS**  trans68.2176.9139.789.80000121.6
1993S23.5Very low24.3Very low98 Ų98151.5 Ų151.569%0.68579%0.79SS**  trans6354.116365.10000120.6
1994R25.6Very low24.5Very low244 Ų244147.3 Ų147.392%0.92179%0.788SS**  trans-167.5108.3136.1-103160-171.9-168.92.2108.1
1995K25.8Very low24.8Very low184 Ų184142.6 Ų142.680%0.878%0.783SS**  cis58128.119.8-80.7-168.9173.5-173.60114.1
1996N23.3Very low25.1Very low115 Ų115140.1 Ų140.162%0.61579%0.785SS**  trans69.468.9170.5-53.617.3000117.2
1997I25.2Very low25.8Very low172 Ų172134.3 Ų134.388%0.88276%0.759SS**SBend-134.374.4126.2-52.8-176.9000108.2
1998L26.5Very low27.1Very low160 Ų160128.7 Ų128.784%0.83874%0.736SS**SBendtrans-174.459.7151.5-105.1172.2000107.8
1999T22.7Very low28.9Very low100 Ų100127.5 Ų127.561%0.61371%0.714SS**  trans-127.169.2174.551.80000108.2
2000S23.9Very low31.4Very low101 Ų101125.2 Ų125.271%0.70668%0.682SS**  trans-125.482.5168.855.90000107.8
2001N24.2Very low34.1Very low152 Ų152114.4 Ų114.481%0.81364%0.641SS**  trans4.6111.5166.7-53.1-10.3000116.6
2002N26Very low36.8Very low156 Ų156110.3 Ų110.383%0.83462%0.624SS**  trans-150.3141131.9-100.8-26.7000109.8V2004N2002-V2004 PolarHBondContact O-N 3.04Å
2003S25.1Very low39.6Very low122 Ų122108.4 Ų108.485%0.85361%0.606SS**  trans-72.9115.7175.949.10000109.9
2004V28.9Very low42.5Very low134 Ų134104 Ų10481%0.81258%0.575SS**  trans-122.9129.8171.4-176.70000108.5N2002N2002-V2004 PolarHBondContact O-N 3.04Å
2005T28.6Very low45.3Very low109 Ų10993 Ų9367%0.66954%0.535SS*.  trans-69.9148.418045.40000111.2D2007T2005-D2007 PolarHBondContact O-N 2.91Å; T2005-D2007 PolarHBondContact OG1-OD2 3.14Å
2006C31.2Very low48.2Very low113 Ų11389 Ų8976%0.76452%0.522SS*.SBendtrans-71.692.1172.7-178.40000109.7R2079C2006-R2079 PolarHBondContact O-NH2 3.13Å
2007D40.2Very low51.2Low49 Ų4984.9 Ų84.926%0.26250%0.5SS..  trans-146.3134.2176.1-79.8-60.1000111.5T2005 S2009 K2075 R2079T2005-D2007 PolarHBondContact O-N 2.91Å; T2005-D2007 PolarHBondContact OG1-OD2 3.14Å; D2007-S2009 VanDerWaalsContact C-N 3.31Å; D2007-S2009 PolarHBondContact O-N 3.25Å; D2007-K2075 WeakPolarHBondContact OD1-CE 3.3Å; D2007-K2075 IonicContact OD1-NZ 2.7Å; D2007-K2075 PolarHBondContact OD1-NZ 3.33Å; D2007-K2075 IonicContact OD2-NZ 3.49Å; D2007-K2075 PolarHBondContact OD2-NZ 3.08Å; D2007-R2079 IonicContact OD1-CZ 2.92Å; D2007-R2079 IonicContact OD1-NH2 3.51Å; D2007-R2079 PolarHBondContact OD1-NH2 3.44Å
2008S51.5Low54.3Low66 Ų6676.7 Ų76.746%0.46246%0.458SS..SBendtrans49.36154.454.10000122.9W2010S2008-W2010 PolarHBondContact O-N 2.92Å
2009S61.6Low57Low56 Ų5674.9 Ų74.939%0.39245%0.445SS..Hα-helixtrans-60.9-37-168.5890000116.2D2007 I2011 S2012 D2013D2007-S2009 VanDerWaalsContact C-N 3.31Å; D2007-S2009 PolarHBondContact O-N 3.25Å; S2009-I2011 VanDerWaalsContact C-N 3.28Å; S2009-I2011 PolarHBondContact O-N 3.1Å; S2009-S2012 PolarHBondContact O-N 2.94Å; S2009-S2012 PolarHBondContact O-OG 2.75Å; S2009-D2013 PolarHBondContact O-N 2.9Å; S2009-D2013 VanDerWaalsContact O-OD2 3.13Å; S2009-D2013 PolarHBondContact OG-OD2 3.4Å
2010W78.1Confident60Low29 Ų2975.5 Ų75.511%0.1144%0.441CS..Hα-helixtrans-64.5-28.9-167.284-93.7000114.2S2008 S2014 L2059 P2088 L2091 L2132 F2135S2008-W2010 PolarHBondContact O-N 2.92Å; W2010-S2014 VanDerWaalsContact O-CB 3.29Å; W2010-S2014 WeakPolarHBondContact O-CB 3.15Å; W2010-S2014 PolarHBondContact O-N 3.14Å; W2010-S2014 PolarHBondContact O-OG 3.16Å; W2010-L2059 HydrophobicContact CH2-CD2 4.44Å; W2010-L2059 HydrophobicContact CZ3-CD2 4.33Å; W2010-P2088 HydrophobicContact CD2-CB 4.34Å; W2010-P2088 HydrophobicContact CE3-CB 3.92Å; W2010-P2088 HydrophobicContact CH2-CB 4.02Å; W2010-P2088 HydrophobicContact CH2-CG 4.48Å; W2010-P2088 HydrophobicContact CZ2-CB 4.4Å; W2010-P2088 HydrophobicContact CZ2-CG 4.42Å; W2010-P2088 HydrophobicContact CZ3-CB 3.75Å; W2010-L2091 HydrophobicContact CZ3-CD2 4.06Å; W2010-L2132 HydrophobicContact CE3-CD2 3.98Å; W2010-L2132 HydrophobicContact CZ3-CD2 4.24Å; W2010-F2135 HydrophobicContact CB-CB 4.34Å; W2010-F2135 HydrophobicContact CB-CD1 3.65Å; W2010-F2135 HydrophobicContact CB-CD2 3.55Å; W2010-F2135 HydrophobicContact CB-CE1 3.69Å; W2010-F2135 HydrophobicContact CB-CE2 3.6Å; W2010-F2135 HydrophobicContact CB-CG 3.57Å; W2010-F2135 HydrophobicContact CB-CZ 3.66Å; W2010-F2135 HydrophobicContact CG-CG 4.4Å
2011I80.6Confident63.1Low5 Ų570.8 Ų70.83%0.02641%0.408CS..Hα-helixtrans-72.5-45.9178.4-62.4176.7000109.8S2009 S2014 L2015 L2059 A2062 Q2063 L2066S2009-I2011 VanDerWaalsContact C-N 3.28Å; S2009-I2011 PolarHBondContact O-N 3.1Å; I2011-S2014 PolarHBondContact O-N 3.48Å; I2011-L2015 HydrophobicContact CG2-CD1 4.06Å; I2011-L2015 WeakPolarHBondContact O-CB 3.42Å; I2011-L2015 PolarHBondContact O-N 2.7Å; I2011-L2059 HydrophobicContact CG2-CD2 4.42Å; I2011-A2062 HydrophobicContact CD1-CB 4.17Å; I2011-A2062 WeakPolarHBondContact CD1-O 3.47Å; I2011-Q2063 HydrophobicContact CG2-CB 4Å; I2011-L2066 HydrophobicContact CD1-CD1 4.26Å
2012S79.2Confident66Low46 Ų4665.5 Ų65.532%0.32238%0.378SS..Hα-helixtrans-63.1-40.5173.139.80000112.5S2009 S2014 L2015 N2016S2009-S2012 PolarHBondContact O-N 2.94Å; S2009-S2012 PolarHBondContact O-OG 2.75Å; S2012-S2014 VanDerWaalsContact C-N 3.31Å; S2012-S2014 PolarHBondContact O-N 2.92Å; S2012-L2015 PolarHBondContact O-N 3.46Å; S2012-N2016 WeakPolarHBondContact O-CB 3.41Å; S2012-N2016 VanDerWaalsContact O-CG 3.26Å; S2012-N2016 PolarHBondContact O-N 3.01Å; S2012-N2016 PolarHBondContact O-ND2 3.33Å; S2012-N2016 VanDerWaalsContact O-ND2 3.1Å
2013D80.3Confident68.5Low66 Ų6662.4 Ų62.435%0.35337%0.368SS..Hα-helixtrans-62.2-40.2175.7-64.1-33.8000111.1S2009 L2017 F2135S2009-D2013 PolarHBondContact O-N 2.9Å; S2009-D2013 VanDerWaalsContact O-OD2 3.13Å; S2009-D2013 PolarHBondContact OG-OD2 3.4Å; D2013-L2017 WeakPolarHBondContact O-CG 3.49Å; D2013-L2017 PolarHBondContact O-N 3.04Å; D2013-F2135 WeakPolarHBondContact OD2-CZ 3.42Å
2014S83.7Confident71.4Confident4 Ų460.4 Ų60.43%0.02835%0.345CS..Hα-helixtrans-71.3-38.9177.8-59.50000113.1W2010 I2011 S2012 L2017 I2018W2010-S2014 VanDerWaalsContact O-CB 3.29Å; W2010-S2014 WeakPolarHBondContact O-CB 3.15Å; W2010-S2014 PolarHBondContact O-N 3.14Å; W2010-S2014 PolarHBondContact O-OG 3.16Å; I2011-S2014 PolarHBondContact O-N 3.48Å; S2012-S2014 VanDerWaalsContact C-N 3.31Å; S2012-S2014 PolarHBondContact O-N 2.92Å; S2014-L2017 PolarHBondContact O-N 2.91Å; S2014-I2018 PolarHBondContact O-N 3.06Å
2015L85.7Confident73.8Confident15 Ų1565 Ų658%0.07935%0.348CS..Hα-helixtrans-65.9-42.4176.1-82.6167.3000111.7I2011 S2012 L2017 I2018 Q2019 Q2056 L2059 I2060 Q2063I2011-L2015 HydrophobicContact CG2-CD1 4.06Å; I2011-L2015 WeakPolarHBondContact O-CB 3.42Å; I2011-L2015 PolarHBondContact O-N 2.7Å; S2012-L2015 PolarHBondContact O-N 3.46Å; L2015-L2017 VanDerWaalsContact C-N 3.34Å; L2015-L2017 PolarHBondContact O-N 3.1Å; L2015-I2018 PolarHBondContact O-N 3.25Å; L2015-Q2019 WeakPolarHBondContact O-CB 3.48Å; L2015-Q2019 PolarHBondContact O-N 3.15Å; L2015-Q2056 HydrophobicContact CD2-CG 4.17Å; L2015-L2059 HydrophobicContact CD1-CB 4.25Å; L2015-L2059 HydrophobicContact CD2-CB 3.52Å; L2015-L2059 HydrophobicContact CD2-CD1 4.1Å; L2015-L2059 HydrophobicContact CD2-CG 4.48Å; L2015-L2059 HydrophobicContact CG-CB 3.77Å; L2015-L2059 HydrophobicContact CG-CD1 4.17Å; L2015-I2060 HydrophobicContact CD1-CG1 4.43Å; L2015-I2060 HydrophobicContact CD2-CG1 3.93Å; L2015-Q2063 HydrophobicContact CD1-CB 4.34Å
2016N84.8Confident76.4Confident98 Ų9864.9 Ų64.952%0.52434%0.335SS..Hα-helixtrans-57.5-46.1173.8-73.4-34.3000111.4S2012 Q2019 E2020S2012-N2016 WeakPolarHBondContact O-CB 3.41Å; S2012-N2016 VanDerWaalsContact O-CG 3.26Å; S2012-N2016 PolarHBondContact O-N 3.01Å; S2012-N2016 PolarHBondContact O-ND2 3.33Å; S2012-N2016 VanDerWaalsContact O-ND2 3.1Å; N2016-Q2019 PolarHBondContact O-N 3.42Å; N2016-E2020 PolarHBondContact O-N 2.85Å
2017L87.9Confident79.1Confident29 Ų2959.5 Ų59.515%0.15230%0.299CS..Hα-helixtrans-65.3-37.8177.6-71.4171.5000113D2013 S2014 L2015 L2021 W2123 V2127 I2128 C2131D2013-L2017 WeakPolarHBondContact O-CG 3.49Å; D2013-L2017 PolarHBondContact O-N 3.04Å; S2014-L2017 PolarHBondContact O-N 2.91Å; L2015-L2017 VanDerWaalsContact C-N 3.34Å; L2015-L2017 PolarHBondContact O-N 3.1Å; L2017-L2021 WeakPolarHBondContact O-CB 3.44Å; L2017-L2021 PolarHBondContact O-N 2.8Å; L2017-W2123 HydrophobicContact CB-CH2 4.26Å; L2017-W2123 HydrophobicContact CB-CZ2 4.38Å; L2017-W2123 WeakPolarHBondContact O-CH2 3.24Å; L2017-W2123 WeakPolarHBondContact O-CZ2 3.01Å; L2017-V2127 HydrophobicContact CD2-CG1 3.86Å; L2017-I2128 HydrophobicContact CB-CD1 4.35Å; L2017-I2128 HydrophobicContact CB-CG1 4.28Å; L2017-I2128 HydrophobicContact CD1-CG1 4.02Å; L2017-C2131 HydrophobicContact CD1-CB 4.34Å
2018I88.6Confident81.1Confident0 Ų063.7 Ų63.70%032%0.315CS..Hα-helixtrans-72.7-32.4175.1-77-172.2000112S2014 L2015 L2021 F2022 I2055 Q2056 L2059 L2091 L2095 I2128S2014-I2018 PolarHBondContact O-N 3.06Å; L2015-I2018 PolarHBondContact O-N 3.25Å; I2018-L2021 WeakPolarHBondContact O-CB 3.43Å; I2018-L2021 PolarHBondContact O-N 3.19Å; I2018-F2022 HydrophobicContact CG2-CD2 3.94Å; I2018-F2022 HydrophobicContact CG2-CE2 4.23Å; I2018-F2022 WeakPolarHBondContact O-CB 3.47Å; I2018-F2022 WeakPolarHBondContact O-CD2 3.2Å; I2018-F2022 PolarHBondContact O-N 2.87Å; I2018-I2055 HydrophobicContact CD1-CG2 3.5Å; I2018-I2055 VanDerWaalsContact CD1-CG2 3.5Å; I2018-Q2056 HydrophobicContact CG2-CB 4.17Å; I2018-Q2056 HydrophobicContact CG2-CG 4.34Å; I2018-L2059 HydrophobicContact CD1-CD1 3.9Å; I2018-L2091 HydrophobicContact CD1-CD1 3.91Å; I2018-L2095 HydrophobicContact CD1-CD2 4.34Å; I2018-I2128 HydrophobicContact CG1-CD1 4.24Å
2019Q84.8Confident82.5Confident122 Ų12264.7 Ų64.757%0.5731%0.309SS*.Hα-helixtrans-68.9-38173.8-164.216911.400111.5L2015 N2016 F2022 S2023L2015-Q2019 WeakPolarHBondContact O-CB 3.48Å; L2015-Q2019 PolarHBondContact O-N 3.15Å; N2016-Q2019 PolarHBondContact O-N 3.42Å; Q2019-F2022 PolarHBondContact O-N 3.27Å; Q2019-S2023 PolarHBondContact O-N 3.48Å; Q2019-S2023 VanDerWaalsContact O-N 3.1Å
2020E85.2Confident83.9Confident114 Ų11462.5 Ų62.553%0.53329%0.293SS..Hα-helixtrans-60.6-46.6168.7-170.3-176.317900111.1N2016 F2022 S2023 H2024N2016-E2020 PolarHBondContact O-N 2.85Å; E2020-F2022 VanDerWaalsContact C-N 3.32Å; E2020-F2022 PolarHBondContact O-N 3.38Å; E2020-S2023 WeakPolarHBondContact O-CB 3.36Å; E2020-S2023 PolarHBondContact O-N 2.87Å; E2020-S2023 PolarHBondContact O-OG 3.34Å; E2020-H2024 PolarHBondContact O-N 2.82Å
2021L88Confident84.3Confident1 Ų164 Ų641%0.00530%0.298CS..Hα-helixtrans-59.6-40.4175.5-174.572.4000112.4L2017 I2018 S2023 H2024 S2027 L2052 W2119 L2120 W2123L2017-L2021 WeakPolarHBondContact O-CB 3.44Å; L2017-L2021 PolarHBondContact O-N 2.8Å; I2018-L2021 WeakPolarHBondContact O-CB 3.43Å; I2018-L2021 PolarHBondContact O-N 3.19Å; L2021-S2023 VanDerWaalsContact C-N 3.28Å; L2021-S2023 PolarHBondContact O-N 3.31Å; L2021-H2024 PolarHBondContact O-N 2.94Å; L2021-S2027 WeakPolarHBondContact O-CB 3.27Å; L2021-S2027 PolarHBondContact O-OG 3.01Å; L2021-L2052 HydrophobicContact CD2-CD1 3.58Å; L2021-L2052 HydrophobicContact CD2-CD2 3.51Å; L2021-L2052 HydrophobicContact CD2-CG 4.2Å; L2021-L2052 HydrophobicContact CG-CD1 4Å; L2021-W2119 HydrophobicContact CD1-CH2 3.5Å; L2021-W2119 VanDerWaalsContact CD1-CH2 3.5Å; L2021-W2119 HydrophobicContact CD1-CZ2 4.36Å; L2021-W2119 HydrophobicContact CD1-CZ3 4.04Å; L2021-L2120 HydrophobicContact CD1-CD1 3.94Å; L2021-L2120 HydrophobicContact CD2-CD1 4Å; L2021-W2123 HydrophobicContact CB-CH2 3.8Å; L2021-W2123 HydrophobicContact CB-CZ2 3.95Å; L2021-W2123 HydrophobicContact CB-CZ3 4.29Å; L2021-W2123 HydrophobicContact CD1-CD2 3.76Å; L2021-W2123 HydrophobicContact CD1-CE3 3.76Å; L2021-W2123 HydrophobicContact CD1-CG 4.31Å; L2021-W2123 HydrophobicContact CD1-CH2 4.17Å; L2021-W2123 HydrophobicContact CD1-CZ2 4.19Å; L2021-W2123 HydrophobicContact CD1-CZ3 3.96Å; L2021-W2123 HydrophobicContact CD2-CE3 4.19Å; L2021-W2123 HydrophobicContact CD2-CH2 4.04Å; L2021-W2123 HydrophobicContact CD2-CZ3 3.7Å; L2021-W2123 HydrophobicContact CG-CE3 4.48Å; L2021-W2123 HydrophobicContact CG-CH2 4.23Å; L2021-W2123 HydrophobicContact CG-CZ3 4.2Å
2022F85.2Confident84.4Confident42 Ų4269.6 Ų69.618%0.18433%0.328CS..Hα-helixtrans-63.7-29.9174.5-105.7-79.5000113I2018 Q2019 E2020 R2031 L2052 Q2056I2018-F2022 HydrophobicContact CG2-CD2 3.94Å; I2018-F2022 HydrophobicContact CG2-CE2 4.23Å; I2018-F2022 WeakPolarHBondContact O-CB 3.47Å; I2018-F2022 WeakPolarHBondContact O-CD2 3.2Å; I2018-F2022 PolarHBondContact O-N 2.87Å; Q2019-F2022 PolarHBondContact O-N 3.27Å; E2020-F2022 VanDerWaalsContact C-N 3.32Å; E2020-F2022 PolarHBondContact O-N 3.38Å; F2022-R2031 HydrophobicContact CD1-CB 4.36Å; F2022-R2031 HydrophobicContact CD1-CG 3.88Å; F2022-R2031 HydrophobicContact CE1-CB 3.75Å; F2022-R2031 HydrophobicContact CE1-CG 3.76Å; F2022-R2031 HydrophobicContact CZ-CB 4.43Å; F2022-R2031 PolarHBondContact O-NE 2.97Å; F2022-R2031 PolarHBondContact O-NH1 3.42Å; F2022-R2031 PolarHBondContact O-NH2 3.3Å; F2022-L2052 HydrophobicContact CD2-CB 4.29Å; F2022-L2052 HydrophobicContact CE2-CB 3.53Å; F2022-L2052 WeakPolarHBondContact CE2-O 3.45Å; F2022-L2052 HydrophobicContact CZ-CB 3.77Å; F2022-Q2056 HydrophobicContact CE2-CB 4.21Å; F2022-Q2056 VanDerWaalsContact CE2-OE1 3.28Å
2023S80.3Confident84.3Confident91 Ų9171.5 Ų71.564%0.63634%0.339SS*.Hα-helixtrans-71-38.1173.482.20000112Q2019 E2020 L2021 R2025 R2031Q2019-S2023 PolarHBondContact O-N 3.48Å; Q2019-S2023 VanDerWaalsContact O-N 3.1Å; E2020-S2023 WeakPolarHBondContact O-CB 3.36Å; E2020-S2023 PolarHBondContact O-N 2.87Å; E2020-S2023 PolarHBondContact O-OG 3.34Å; L2021-S2023 VanDerWaalsContact C-N 3.28Å; L2021-S2023 PolarHBondContact O-N 3.31Å; S2023-R2025 PolarHBondContact O-N 2.96Å; S2023-R2031 PolarHBondContact O-NH2 3.45Å
2024H85Confident84.3Confident80 Ų8071 Ų7137%0.3734%0.336SS..SBendtrans-66.3126.8-167.4-170.6-89.9000113.2E2020 L2021 R2026 S2027 R2031 W2119E2020-H2024 PolarHBondContact O-N 2.82Å; L2021-H2024 PolarHBondContact O-N 2.94Å; H2024-R2026 PolarHBondContact ND1-N 3.5Å; H2024-R2026 PolarHBondContact O-N 3.38Å; H2024-S2027 PolarHBondContact O-N 3.14Å; H2024-S2027 PolarHBondContact O-OG 2.91Å; H2024-R2031 PolarHBondContact O-NH2 3Å; H2024-W2119 HydrophobicContact CB-CH2 3.94Å; H2024-W2119 HydrophobicContact CB-CZ2 4.2Å; H2024-W2119 AromaticContact CE1-CE2 3.41Å; H2024-W2119 VanDerWaalsContact CE1-CE2 3.41Å; H2024-W2119 AromaticContact CE1-CH2 3.81Å; H2024-W2119 AromaticContact CE1-CZ2 3.23Å; H2024-W2119 WeakPolarHBondContact CE1-CZ2 3.45Å; H2024-W2119 AromaticContact CE1-NE1 3.73Å; H2024-W2119 AromaticContact CG-CH2 3.64Å; H2024-W2119 AromaticContact CG-CZ2 3.5Å; H2024-W2119 AromaticContact ND1-CE2 3.6Å; H2024-W2119 AromaticContact ND1-CH2 3.09Å; H2024-W2119 WeakPolarHBondContact ND1-CH2 3.43Å; H2024-W2119 AromaticContact ND1-CZ2 2.98Å; H2024-W2119 WeakPolarHBondContact ND1-CZ2 3.39Å; H2024-W2119 AromaticContact ND1-CZ3 3.82Å; H2024-W2119 AromaticContact NE2-CZ2 3.87Å
2025R78.6Confident83.8Confident230 Ų23073.9 Ų73.987%0.86835%0.351SS*.G310 helixtrans-55-30.8-169.2-162.1177.4-172-1753.2114.7S2023S2023-R2025 PolarHBondContact O-N 2.96Å
2026R83.8Confident83Confident106 Ų10676 Ų7640%0.437%0.365SS..G310 helixtrans-75.8-13.6178.6-65.1-170.6138.6160.10.9115.3H2024 F2028 D2116 W2119H2024-R2026 PolarHBondContact ND1-N 3.5Å; H2024-R2026 PolarHBondContact O-N 3.38Å; R2026-F2028 PolarHBondContact O-N 2.98Å; R2026-D2116 HydrophobicContact CB-CB 4.33Å; R2026-D2116 WeakPolarHBondContact CB-OD1 3.37Å; R2026-D2116 WeakPolarHBondContact CD-OD1 3.43Å; R2026-D2116 WeakPolarHBondContact CG-OD1 3.41Å; R2026-D2116 IonicContact CZ-OD1 3.76Å; R2026-D2116 IonicContact NE-OD1 3.81Å; R2026-D2116 PolarHBondContact NE-OD1 3.28Å; R2026-W2119 HydrophobicContact CB-CD2 3.77Å; R2026-W2119 HydrophobicContact CB-CE3 3.4Å; R2026-W2119 HydrophobicContact CB-CG 4.45Å; R2026-W2119 HydrophobicContact CB-CH2 4.28Å; R2026-W2119 HydrophobicContact CB-CZ3 3.67Å; R2026-W2119 HydrophobicContact CG-CD2 4.38Å; R2026-W2119 HydrophobicContact CG-CE3 4.44Å
2027S87.3Confident81.9Confident0 Ų074.6 Ų74.60%036%0.357CS..G310 helixtrans-74.9-10.217863.10000113.5L2021 H2024 Y2029 F2030 R2031L2021-S2027 WeakPolarHBondContact O-CB 3.27Å; L2021-S2027 PolarHBondContact O-OG 3.01Å; H2024-S2027 PolarHBondContact O-N 3.14Å; H2024-S2027 PolarHBondContact O-OG 2.91Å; S2027-Y2029 PolarHBondContact O-N 3.34Å; S2027-Y2029 VanDerWaalsContact O-N 3.16Å; S2027-F2030 WeakPolarHBondContact O-CA 3.41Å; S2027-F2030 WeakPolarHBondContact O-CB 3.41Å; S2027-F2030 PolarHBondContact O-N 3.48Å; S2027-R2031 WeakPolarHBondContact O-CG 3.16Å; S2027-R2031 PolarHBondContact O-N 3.26Å; S2027-R2031 PolarHBondContact OG-NE 3.2Å; S2027-R2031 PolarHBondContact OG-NH2 3.33Å; S2027-R2031 VanDerWaalsContact OG-NH2 3.15Å
2028F82.6Confident81Confident137 Ų13779.8 Ų79.860%0.60138%0.381SS*.G310 helixtrans-40.2-55.8-171.1-177.4-102.2000114.6R2026 F2030 R2031R2026-F2028 PolarHBondContact O-N 2.98Å; F2028-F2030 PolarHBondContact O-N 2.82Å; F2028-R2031 PolarHBondContact O-N 2.91Å
2029Y81.8Confident80.5Confident88 Ų8884.4 Ų84.435%0.34540%0.399SS..G310 helixtrans-68.1-2.9-177.9-54.8-73.3000115.3S2027 V2113 D2116S2027-Y2029 PolarHBondContact O-N 3.34Å; S2027-Y2029 VanDerWaalsContact O-N 3.16Å; Y2029-V2113 HydrophobicContact CD1-CG2 3.81Å; Y2029-V2113 HydrophobicContact CD2-CB 4.42Å; Y2029-V2113 HydrophobicContact CD2-CG1 4.46Å; Y2029-V2113 HydrophobicContact CD2-CG2 3.93Å; Y2029-V2113 HydrophobicContact CE1-CG2 3.77Å; Y2029-V2113 HydrophobicContact CE2-CG2 3.89Å; Y2029-V2113 HydrophobicContact CG-CG1 4.26Å; Y2029-V2113 HydrophobicContact CG-CG2 3.88Å; Y2029-D2116 HydrophobicContact CD2-CB 4.44Å
2030F89.8Confident79.9Confident10 Ų1083.4 Ų83.44%0.04440%0.403CS..G310 helixtrans-120.70.4-177.3-41.8-60000112.7S2027 F2028 L2052 I2098 A2102 D2116 T2117 L2120S2027-F2030 WeakPolarHBondContact O-CA 3.41Å; S2027-F2030 WeakPolarHBondContact O-CB 3.41Å; S2027-F2030 PolarHBondContact O-N 3.48Å; F2028-F2030 PolarHBondContact O-N 2.82Å; F2030-L2052 HydrophobicContact CB-CD1 4.12Å; F2030-L2052 HydrophobicContact CB-CG 4.3Å; F2030-L2052 WeakPolarHBondContact O-CB 3.42Å; F2030-L2052 VanDerWaalsContact O-CG 3.3Å; F2030-L2052 WeakPolarHBondContact O-CG 3.49Å; F2030-L2052 PolarHBondContact O-N 2.99Å; F2030-I2098 HydrophobicContact CB-CG2 3.92Å; F2030-I2098 HydrophobicContact CD1-CG2 3.94Å; F2030-I2098 HydrophobicContact CG-CG2 4.11Å; F2030-A2102 HydrophobicContact CD1-CB 4.49Å; F2030-A2102 HydrophobicContact CE1-CB 3.85Å; F2030-D2116 HydrophobicContact CE2-CB 4.24Å; F2030-D2116 HydrophobicContact CZ-CB 4.4Å; F2030-T2117 WeakPolarHBondContact CZ-OG1 3.47Å; F2030-L2120 HydrophobicContact CB-CD2 4.35Å; F2030-L2120 HydrophobicContact CD1-CD2 4.37Å; F2030-L2120 HydrophobicContact CD2-CB 4.46Å; F2030-L2120 HydrophobicContact CD2-CD2 3.75Å; F2030-L2120 HydrophobicContact CE2-CB 4.23Å; F2030-L2120 HydrophobicContact CE2-CD2 4.17Å; F2030-L2120 HydrophobicContact CG-CD2 3.88Å
2031R87.1Confident79.6Confident60 Ų6081.4 Ų81.423%0.22640%0.396CS..SBendtrans-76.7-22.4-173.9-72.8177.4-168.5-167.5-1114.6F2022 S2023 H2024 S2027 F2028 S2053F2022-R2031 HydrophobicContact CD1-CB 4.36Å; F2022-R2031 HydrophobicContact CD1-CG 3.88Å; F2022-R2031 HydrophobicContact CE1-CB 3.75Å; F2022-R2031 HydrophobicContact CE1-CG 3.76Å; F2022-R2031 HydrophobicContact CZ-CB 4.43Å; F2022-R2031 PolarHBondContact O-NE 2.97Å; F2022-R2031 PolarHBondContact O-NH1 3.42Å; F2022-R2031 PolarHBondContact O-NH2 3.3Å; S2023-R2031 PolarHBondContact O-NH2 3.45Å; H2024-R2031 PolarHBondContact O-NH2 3Å; S2027-R2031 WeakPolarHBondContact O-CG 3.16Å; S2027-R2031 PolarHBondContact O-N 3.26Å; S2027-R2031 PolarHBondContact OG-NE 3.2Å; S2027-R2031 PolarHBondContact OG-NH2 3.33Å; S2027-R2031 VanDerWaalsContact OG-NH2 3.15Å; F2028-R2031 PolarHBondContact O-N 2.91Å; R2031-S2053 WeakPolarHBondContact O-CB 3.14Å
2032L81.6Confident79.4Confident122 Ų12281.8 Ų81.864%0.63940%0.398SS*.SBendtrans-137.6155.3-172.1-66.3174.4000109.2D2051L2032-D2051 WeakPolarHBondContact CA-OD2 3.24Å; L2032-D2051 WeakPolarHBondContact O-CB 3.14Å
2033P79.1Confident79Confident86 Ų8684.6 Ų84.656%0.55841%0.411SS*.PPolyproline II helixtrans-61.4146168.927.8-35.3000110.7
2034I78.3Confident78.7Confident57 Ų5784.8 Ų84.829%0.29241%0.412SS..PPolyproline II helixtrans-80.7129.2178.9-71.6169.2000109.5Y2039 Y2042I2034-Y2039 HydrophobicContact CG2-CD2 3.57Å; I2034-Y2039 HydrophobicContact CG2-CE2 4.36Å; I2034-Y2039 HydrophobicContact CG2-CG 4.02Å; I2034-Y2042 HydrophobicContact CB-CD1 4.43Å; I2034-Y2042 HydrophobicContact CB-CD2 4.36Å; I2034-Y2042 HydrophobicContact CB-CE1 4.26Å; I2034-Y2042 HydrophobicContact CB-CE2 4.2Å; I2034-Y2042 HydrophobicContact CB-CG 4.48Å; I2034-Y2042 HydrophobicContact CD1-CD2 4.15Å; I2034-Y2042 HydrophobicContact CD1-CE2 3.42Å; I2034-Y2042 VanDerWaalsContact CD1-CE2 3.42Å; I2034-Y2042 HydrophobicContact CG1-CE2 4.38Å; I2034-Y2042 HydrophobicContact CG2-CD1 4.29Å; I2034-Y2042 HydrophobicContact CG2-CD2 3.81Å; I2034-Y2042 HydrophobicContact CG2-CE2 4.12Å; I2034-Y2042 HydrophobicContact CG2-CG 3.91Å
2035D75.2Confident78.4Confident63 Ų6384.8 Ų84.834%0.33741%0.414SS..PPolyproline II helixtrans-68121.8-176.7-166.4-30.5000111.3L2037 E2038 Y2039D2035-L2037 PolarHBondContact O-N 3.47Å; D2035-L2037 VanDerWaalsContact OD1-CB 3.27Å; D2035-L2037 WeakPolarHBondContact OD1-CB 3.49Å; D2035-L2037 WeakPolarHBondContact OD1-CG 3.4Å; D2035-L2037 PolarHBondContact OD1-N 2.94Å; D2035-E2038 HydrophobicContact CB-CB 4.42Å; D2035-Y2039 PolarHBondContact O-N 3.39Å; D2035-Y2039 VanDerWaalsContact O-N 3.09Å
2036P68.3Low78.6Confident59 Ų5974 Ų7438%0.38337%0.373SS..THydrogen-bonded Turntrans-62.6-18.1174.5-16.228.5000113.9Y2039 P2040P2036-Y2039 CarbonylContact O-C 3.6Å; P2036-P2040 WeakPolarHBondContact O-CA 3.17Å
2037L61.2Low78.2Confident69 Ų6976.6 Ų76.636%0.36139%0.39SS..THydrogen-bonded Turntrans-86.9-36.5-176.8-51.6-172.3000112.1P1849 D2035P1849-L2037 HydrophobicContact CB-CD1 4.1Å; P1849-L2037 HydrophobicContact CB-CD2 3.72Å; P1849-L2037 HydrophobicContact CB-CG 4.4Å; D2035-L2037 PolarHBondContact O-N 3.47Å; D2035-L2037 VanDerWaalsContact OD1-CB 3.27Å; D2035-L2037 WeakPolarHBondContact OD1-CB 3.49Å; D2035-L2037 WeakPolarHBondContact OD1-CG 3.4Å; D2035-L2037 PolarHBondContact OD1-N 2.94Å
2038E69Low77.9Confident138 Ų13883 Ų8365%0.64542%0.415SS*.THydrogen-bonded Turntrans-72.6-35.4167.7-72.5-158.414500111.8D2035 P2040D2035-E2038 HydrophobicContact CB-CB 4.42Å; E2038-P2040 VanDerWaalsContact C-CD 3.49Å; E2038-P2040 WeakPolarHBondContact O-CD 3.38Å
2039Y78.9Confident77.8Confident98 Ų9879.4 Ų79.438%0.38441%0.405SS..  trans-126.170.1-174.5-55.4-82.7000111.4I2034 D2035 P2036 D2041 Y2042 Y2105I2034-Y2039 HydrophobicContact CG2-CD2 3.57Å; I2034-Y2039 HydrophobicContact CG2-CE2 4.36Å; I2034-Y2039 HydrophobicContact CG2-CG 4.02Å; D2035-Y2039 PolarHBondContact O-N 3.39Å; D2035-Y2039 VanDerWaalsContact O-N 3.09Å; P2036-Y2039 CarbonylContact O-C 3.6Å; Y2039-D2041 PolarHBondContact O-N 3.28Å; Y2039-Y2042 WeakPolarHBondContact O-CB 3.47Å; Y2039-Y2042 PolarHBondContact O-N 3.5Å; Y2039-Y2105 HydrophobicContact CD1-CE1 4.05Å; Y2039-Y2105 WeakPolarHBondContact CD1-OH 3.46Å
2040P71.7Confident78.1Confident100 Ų10076.7 Ų76.765%0.64940%0.396SS*.THydrogen-bonded Turntrans-65.1-20.8-175.525.8-35.5000114.1P2036 E2038P2036-P2040 WeakPolarHBondContact O-CA 3.17Å; E2038-P2040 VanDerWaalsContact C-CD 3.49Å; E2038-P2040 WeakPolarHBondContact O-CD 3.38Å
2041D79.5Confident78.2Confident72 Ų7276.5 Ų76.539%0.38540%0.395SS..THydrogen-bonded Turntrans-80.9-13.3171.668.1-30.7000113.2Y2039 H2043 S2044 I2045 Y2105Y2039-D2041 PolarHBondContact O-N 3.28Å; D2041-H2043 PolarHBondContact O-N 3.17Å; D2041-S2044 WeakPolarHBondContact CA-OG 3.3Å; D2041-S2044 WeakPolarHBondContact O-CA 3.39Å; D2041-S2044 WeakPolarHBondContact O-CB 3.47Å; D2041-S2044 PolarHBondContact O-N 3.23Å; D2041-S2044 PolarHBondContact O-OG 3.04Å; D2041-I2045 HydrophobicContact CB-CD1 4.38Å; D2041-I2045 WeakPolarHBondContact O-CG1 3.38Å; D2041-I2045 PolarHBondContact O-N 2.9Å; D2041-Y2105 WeakPolarHBondContact OD1-CE2 3.47Å; D2041-Y2105 PolarHBondContact OD1-OH 2.96Å
2042Y82Confident78.3Confident10 Ų1073.6 Ų73.64%0.03938%0.384CS..Hα-helixtrans-58.4-49.5-178.9-169.4-93000112.1I2034 Y2039 S2044 I2045 I2046 P2049 Y2105I2034-Y2042 HydrophobicContact CB-CD1 4.43Å; I2034-Y2042 HydrophobicContact CB-CD2 4.36Å; I2034-Y2042 HydrophobicContact CB-CE1 4.26Å; I2034-Y2042 HydrophobicContact CB-CE2 4.2Å; I2034-Y2042 HydrophobicContact CB-CG 4.48Å; I2034-Y2042 HydrophobicContact CD1-CD2 4.15Å; I2034-Y2042 HydrophobicContact CD1-CE2 3.42Å; I2034-Y2042 VanDerWaalsContact CD1-CE2 3.42Å; I2034-Y2042 HydrophobicContact CG1-CE2 4.38Å; I2034-Y2042 HydrophobicContact CG2-CD1 4.29Å; I2034-Y2042 HydrophobicContact CG2-CD2 3.81Å; I2034-Y2042 HydrophobicContact CG2-CE2 4.12Å; I2034-Y2042 HydrophobicContact CG2-CG 3.91Å; Y2039-Y2042 WeakPolarHBondContact O-CB 3.47Å; Y2039-Y2042 PolarHBondContact O-N 3.5Å; Y2042-S2044 PolarHBondContact O-N 3.46Å; Y2042-I2045 PolarHBondContact O-N 3.44Å; Y2042-I2045 VanDerWaalsContact O-N 3.09Å; Y2042-I2046 HydrophobicContact CD1-CB 4.15Å; Y2042-I2046 HydrophobicContact CD1-CG1 4.33Å; Y2042-I2046 HydrophobicContact CD2-CG1 4.18Å; Y2042-I2046 HydrophobicContact CE1-CB 3.79Å; Y2042-I2046 HydrophobicContact CE1-CG1 3.99Å; Y2042-I2046 HydrophobicContact CE1-CG2 3.85Å; Y2042-I2046 HydrophobicContact CE2-CG1 3.83Å; Y2042-I2046 HydrophobicContact CG-CG1 4.42Å; Y2042-I2046 WeakPolarHBondContact O-CB 3.36Å; Y2042-I2046 PolarHBondContact O-N 2.76Å; Y2042-P2049 HydrophobicContact CE1-CB 4.37Å; Y2042-Y2105 AromaticContact CD2-CD1 3.7Å; Y2042-Y2105 HydrophobicContact CD2-CD1 3.7Å; Y2042-Y2105 AromaticContact CD2-CD2 3.6Å; Y2042-Y2105 HydrophobicContact CD2-CD2 3.6Å; Y2042-Y2105 AromaticContact CD2-CE1 3.97Å; Y2042-Y2105 HydrophobicContact CD2-CE1 3.97Å; Y2042-Y2105 AromaticContact CD2-CE2 3.89Å; Y2042-Y2105 HydrophobicContact CD2-CE2 3.89Å; Y2042-Y2105 AromaticContact CD2-CG 3.53Å; Y2042-Y2105 HydrophobicContact CD2-CG 3.53Å; Y2042-Y2105 HydrophobicContact CE2-CD1 4.03Å; Y2042-Y2105 HydrophobicContact CE2-CD2 4.29Å; Y2042-Y2105 AromaticContact CE2-CG 3.83Å; Y2042-Y2105 HydrophobicContact CE2-CG 3.83Å; Y2042-Y2105 HydrophobicContact CG-CD2 4.37Å; Y2042-Y2105 HydrophobicContact CG-CE2 4.43Å
2043H78Confident78.5Confident101 Ų10169.1 Ų69.147%0.46836%0.363SS..Hα-helixtrans-71.6-15.5177.6-79.870.7000113.4D2041D2041-H2043 PolarHBondContact O-N 3.17Å
2044S73.3Confident78.9Confident95 Ų9567.6 Ų67.666%0.66435%0.352SS*.Hα-helixtrans-81.1-15.1170.581.10000113.5D2041 Y2042D2041-S2044 WeakPolarHBondContact CA-OG 3.3Å; D2041-S2044 WeakPolarHBondContact O-CA 3.39Å; D2041-S2044 WeakPolarHBondContact O-CB 3.47Å; D2041-S2044 PolarHBondContact O-N 3.23Å; D2041-S2044 PolarHBondContact O-OG 3.04Å; Y2042-S2044 PolarHBondContact O-N 3.46Å
2045I79.9Confident79.4Confident79 Ų7964.9 Ų64.941%0.40534%0.338SS..Hα-helixtrans-113-31.5-175.9-65.7168000111.8D2041 Y2042 Y2105D2041-I2045 HydrophobicContact CB-CD1 4.38Å; D2041-I2045 WeakPolarHBondContact O-CG1 3.38Å; D2041-I2045 PolarHBondContact O-N 2.9Å; Y2042-I2045 PolarHBondContact O-N 3.44Å; Y2042-I2045 VanDerWaalsContact O-N 3.09Å; I2045-Y2105 HydrophobicContact CB-CD2 4.27Å; I2045-Y2105 HydrophobicContact CD1-CD2 3.96Å; I2045-Y2105 HydrophobicContact CD1-CE2 4.01Å; I2045-Y2105 HydrophobicContact CG2-CD2 4.27Å
2046I83.1Confident80.1Confident3 Ų364.3 Ų64.32%0.01533%0.333CS..  trans-116.799.9-173.3-55.7-58.8000110.3Y2042 R2048 N2101 L2104Y2042-I2046 HydrophobicContact CD1-CB 4.15Å; Y2042-I2046 HydrophobicContact CD1-CG1 4.33Å; Y2042-I2046 HydrophobicContact CD2-CG1 4.18Å; Y2042-I2046 HydrophobicContact CE1-CB 3.79Å; Y2042-I2046 HydrophobicContact CE1-CG1 3.99Å; Y2042-I2046 HydrophobicContact CE1-CG2 3.85Å; Y2042-I2046 HydrophobicContact CE2-CG1 3.83Å; Y2042-I2046 HydrophobicContact CG-CG1 4.42Å; Y2042-I2046 WeakPolarHBondContact O-CB 3.36Å; Y2042-I2046 PolarHBondContact O-N 2.76Å; I2046-R2048 VanDerWaalsContact C-N 3.26Å; I2046-R2048 PolarHBondContact O-N 3.41Å; I2046-N2101 HydrophobicContact CD1-CB 4.17Å; I2046-N2101 HydrophobicContact CG2-CB 4.08Å; I2046-L2104 HydrophobicContact CD1-CB 3.52Å; I2046-L2104 HydrophobicContact CD1-CD1 4.24Å
2047E74.5Confident80.8Confident162 Ų16266.5 Ų66.576%0.75734%0.337SS*.SBendtrans-64.8-24.8179.9-167.2-161.5134.500113.6
2048R80.2Confident82Confident134 Ų13466.9 Ų66.951%0.50634%0.336SS..SBendtrans-141.685.2-173.3-62.6-174-172.1-149.7-5.4111.4I2046 L2097 N2101I2046-R2048 VanDerWaalsContact C-N 3.26Å; I2046-R2048 PolarHBondContact O-N 3.41Å; R2048-L2097 HydrophobicContact CB-CD2 4.27Å; R2048-N2101 PolarHBondContact O-ND2 3.15Å
2049P81.9Confident82.8Confident61 Ų6160.3 Ų60.340%0.39631%0.305SS..  trans-58.1147.7173.723.9-33.5000111.8Y2042Y2042-P2049 HydrophobicContact CE1-CB 4.37Å
2050M88Confident82.9Confident31 Ų3159.3 Ų59.315%0.15331%0.306CS..  trans-159.5143.8178-170.660.161.300108.3I2055 D2094 L2097 I2098M2050-I2055 HydrophobicContact CG-CD1 4.29Å; M2050-I2055 HydrophobicContact CG-CG1 4.36Å; M2050-I2055 HydrophobicContact SD-CG1 3.97Å; M2050-D2094 HydrophobicContact CE-CB 4.29Å; M2050-D2094 WeakPolarHBondContact CE-OD1 3.35Å; M2050-D2094 HydrophobicContact CG-CB 4.1Å; M2050-D2094 HydrophobicContact SD-CB 3.97Å; M2050-L2097 HydrophobicContact CB-CB 4.33Å; M2050-L2097 HydrophobicContact CB-CD2 3.89Å; M2050-L2097 HydrophobicContact CB-CG 3.96Å; M2050-L2097 HydrophobicContact CE-CD2 4.03Å; M2050-L2097 HydrophobicContact CG-CB 4.44Å; M2050-L2097 HydrophobicContact CG-CD2 4.32Å; M2050-I2098 HydrophobicContact CB-CG1 4.11Å; M2050-I2098 HydrophobicContact CG-CD1 4.47Å; M2050-I2098 HydrophobicContact CG-CG1 3.83Å
2051D90.4Very high83Confident6 Ų659.5 Ų59.53%0.03230%0.301CS..  trans-150.5170.4-177.577.3-70.9000111.2L2032 S2053 T2054 I2055 I2098L2032-D2051 WeakPolarHBondContact CA-OD2 3.24Å; L2032-D2051 WeakPolarHBondContact O-CB 3.14Å; D2051-S2053 VanDerWaalsContact C-N 3.35Å; D2051-S2053 PolarHBondContact O-N 2.93Å; D2051-S2053 WeakPolarHBondContact OD2-CA 3.34Å; D2051-S2053 VanDerWaalsContact OD2-CB 3.25Å; D2051-S2053 WeakPolarHBondContact OD2-CB 3.38Å; D2051-S2053 PolarHBondContact OD2-N 2.88Å; D2051-S2053 PolarHBondContact OD2-OG 2.69Å; D2051-T2054 PolarHBondContact N-OG1 2.93Å; D2051-T2054 PolarHBondContact O-OG1 3.37Å; D2051-T2054 WeakPolarHBondContact OD1-CB 3.42Å; D2051-T2054 WeakPolarHBondContact OD1-CG2 3.48Å; D2051-T2054 PolarHBondContact OD1-N 3.37Å; D2051-T2054 PolarHBondContact OD1-OG1 3.07Å; D2051-T2054 PolarHBondContact OD2-N 2.81Å; D2051-I2055 WeakPolarHBondContact O-CG1 3.36Å; D2051-I2055 PolarHBondContact O-N 3.39Å; D2051-I2098 VanDerWaalsContact C-CD1 3.47Å
2052L90.5Very high82.8Confident0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-70.5-27.8-176.5-64.5173.7000113.2L2021 F2022 F2030 I2055 Q2056 L2095 I2098L2021-L2052 HydrophobicContact CD2-CD1 3.58Å; L2021-L2052 HydrophobicContact CD2-CD2 3.51Å; L2021-L2052 HydrophobicContact CD2-CG 4.2Å; L2021-L2052 HydrophobicContact CG-CD1 4Å; F2022-L2052 HydrophobicContact CD2-CB 4.29Å; F2022-L2052 HydrophobicContact CE2-CB 3.53Å; F2022-L2052 WeakPolarHBondContact CE2-O 3.45Å; F2022-L2052 HydrophobicContact CZ-CB 3.77Å; F2030-L2052 HydrophobicContact CB-CD1 4.12Å; F2030-L2052 HydrophobicContact CB-CG 4.3Å; F2030-L2052 WeakPolarHBondContact O-CB 3.42Å; F2030-L2052 VanDerWaalsContact O-CG 3.3Å; F2030-L2052 WeakPolarHBondContact O-CG 3.49Å; F2030-L2052 PolarHBondContact O-N 2.99Å; L2052-I2055 PolarHBondContact O-N 2.95Å; L2052-Q2056 WeakPolarHBondContact O-CB 3.45Å; L2052-Q2056 PolarHBondContact O-N 3.33Å; L2052-L2095 HydrophobicContact CD2-CD2 3.76Å; L2052-I2098 HydrophobicContact CD2-CD1 3.62Å; L2052-I2098 HydrophobicContact CG-CD1 3.99Å
2053S85.4Confident82.3Confident27 Ų2759.1 Ų59.119%0.18930%0.298CS..Hα-helixtrans-73.1-37.1178.876.80000112.1R2031 D2051 Q2056 K2057R2031-S2053 WeakPolarHBondContact O-CB 3.14Å; D2051-S2053 VanDerWaalsContact C-N 3.35Å; D2051-S2053 PolarHBondContact O-N 2.93Å; D2051-S2053 WeakPolarHBondContact OD2-CA 3.34Å; D2051-S2053 VanDerWaalsContact OD2-CB 3.25Å; D2051-S2053 WeakPolarHBondContact OD2-CB 3.38Å; D2051-S2053 PolarHBondContact OD2-N 2.88Å; D2051-S2053 PolarHBondContact OD2-OG 2.69Å; S2053-Q2056 PolarHBondContact O-N 3.49Å; S2053-K2057 WeakPolarHBondContact O-CB 3.28Å; S2053-K2057 WeakPolarHBondContact O-CG 3.38Å; S2053-K2057 PolarHBondContact O-N 3.47Å
2054T87.1Confident81.6Confident55 Ų5557.6 Ų57.634%0.33730%0.299SS..Hα-helixtrans-65.6-41.1172.146.20000111.7D2051 K2057 K2058D2051-T2054 PolarHBondContact N-OG1 2.93Å; D2051-T2054 PolarHBondContact O-OG1 3.37Å; D2051-T2054 WeakPolarHBondContact OD1-CB 3.42Å; D2051-T2054 WeakPolarHBondContact OD1-CG2 3.48Å; D2051-T2054 PolarHBondContact OD1-N 3.37Å; D2051-T2054 PolarHBondContact OD1-OG1 3.07Å; D2051-T2054 PolarHBondContact OD2-N 2.81Å; T2054-K2057 PolarHBondContact O-N 3.23Å; T2054-K2058 WeakPolarHBondContact O-CG 3.39Å; T2054-K2058 PolarHBondContact O-N 2.9Å
2055I89.6Confident80.8Confident0 Ų054.5 Ų54.50%028%0.277CS..Hα-helixtrans-63.3-42.9173.9-63.1177.7000111.6I2018 M2050 D2051 L2052 K2058 L2059 L2091 D2094 L2095 I2098I2018-I2055 HydrophobicContact CD1-CG2 3.5Å; I2018-I2055 VanDerWaalsContact CD1-CG2 3.5Å; M2050-I2055 HydrophobicContact CG-CD1 4.29Å; M2050-I2055 HydrophobicContact CG-CG1 4.36Å; M2050-I2055 HydrophobicContact SD-CG1 3.97Å; D2051-I2055 WeakPolarHBondContact O-CG1 3.36Å; D2051-I2055 PolarHBondContact O-N 3.39Å; L2052-I2055 PolarHBondContact O-N 2.95Å; I2055-K2058 PolarHBondContact O-N 2.93Å; I2055-L2059 PolarHBondContact O-N 3.28Å; I2055-L2059 VanDerWaalsContact O-N 3.07Å; I2055-L2091 HydrophobicContact CG2-CD1 3.39Å; I2055-D2094 HydrophobicContact CD1-CB 3.61Å; I2055-D2094 HydrophobicContact CG1-CB 3.77Å; I2055-L2095 HydrophobicContact CD1-CD2 3.83Å; I2055-L2095 HydrophobicContact CD1-CG 3.94Å; I2055-I2098 HydrophobicContact CD1-CD1 3.55Å; I2055-I2098 HydrophobicContact CD1-CG1 4.32Å
2056Q88.7Confident79.6Confident50 Ų5053.6 Ų53.623%0.23427%0.273CS..Hα-helixtrans-63.2-43.1177.1-169-177.38.100111.4L2015 I2018 F2022 L2052 S2053 K2058 L2059 I2060L2015-Q2056 HydrophobicContact CD2-CG 4.17Å; I2018-Q2056 HydrophobicContact CG2-CB 4.17Å; I2018-Q2056 HydrophobicContact CG2-CG 4.34Å; F2022-Q2056 HydrophobicContact CE2-CB 4.21Å; F2022-Q2056 VanDerWaalsContact CE2-OE1 3.28Å; L2052-Q2056 WeakPolarHBondContact O-CB 3.45Å; L2052-Q2056 PolarHBondContact O-N 3.33Å; S2053-Q2056 PolarHBondContact O-N 3.49Å; Q2056-K2058 PolarHBondContact O-N 3.39Å; Q2056-L2059 PolarHBondContact O-N 3.07Å; Q2056-I2060 HydrophobicContact CG-CD1 3.96Å; Q2056-I2060 HydrophobicContact CG-CG1 4.5Å; Q2056-I2060 WeakPolarHBondContact O-CG1 3.47Å; Q2056-I2060 PolarHBondContact O-N 3.32Å
2057K84Confident78Confident105 Ų10560.3 Ų60.346%0.45730%0.304SS..Hα-helixtrans-60.9-42.5174.7-74.9-169.6174.5-1590111.9E1869 S2053 T2054 L2059 I2060 N2061E1869-K2057 IonicContact OE1-NZ 2.67Å; E1869-K2057 IonicContact OE2-NZ 2.8Å; E1869-K2057 PolarHBondContact OE2-NZ 2.7Å; S2053-K2057 WeakPolarHBondContact O-CB 3.28Å; S2053-K2057 WeakPolarHBondContact O-CG 3.38Å; S2053-K2057 PolarHBondContact O-N 3.47Å; T2054-K2057 PolarHBondContact O-N 3.23Å; K2057-L2059 PolarHBondContact O-N 3.3Å; K2057-I2060 PolarHBondContact O-N 2.95Å; K2057-N2061 WeakPolarHBondContact O-CB 3.32Å; K2057-N2061 VanDerWaalsContact O-CG 3.24Å; K2057-N2061 PolarHBondContact O-N 3.44Å; K2057-N2061 PolarHBondContact O-OD1 3.47Å; K2057-N2061 VanDerWaalsContact O-OD1 3.13Å
2058K86.4Confident76.1Confident77 Ų7757.4 Ų57.434%0.33530%0.301SS..Hα-helixtrans-58.5-44.9174.1-70.8-178.3-171.9-175.80112.6T2054 I2055 Q2056 N2061 A2062 Y2086 D2094T2054-K2058 WeakPolarHBondContact O-CG 3.39Å; T2054-K2058 PolarHBondContact O-N 2.9Å; I2055-K2058 PolarHBondContact O-N 2.93Å; Q2056-K2058 PolarHBondContact O-N 3.39Å; K2058-N2061 PolarHBondContact O-N 3.05Å; K2058-A2062 WeakPolarHBondContact O-CB 3.5Å; K2058-A2062 PolarHBondContact O-N 3.15Å; K2058-Y2086 HydrophobicContact CB-CD1 4.17Å; K2058-Y2086 HydrophobicContact CB-CE1 3.82Å; K2058-Y2086 HydrophobicContact CB-CE2 4.28Å; K2058-Y2086 HydrophobicContact CD-CD2 4.25Å; K2058-Y2086 HydrophobicContact CD-CE1 4.48Å; K2058-Y2086 HydrophobicContact CD-CE2 3.56Å; K2058-D2094 IonicContact NZ-OD1 2.7Å; K2058-D2094 IonicContact NZ-OD2 3.78Å; K2058-D2094 PolarHBondContact NZ-OD2 3.17Å
2059L84.8Confident74Confident0 Ų054 Ų540%030%0.298CS..Hα-helixtrans-68.5-37.6178.1-75.9175.8000113.4W2010 I2011 L2015 I2018 I2055 Q2056 K2057 A2062 Q2063 Y2086 L2091W2010-L2059 HydrophobicContact CH2-CD2 4.44Å; W2010-L2059 HydrophobicContact CZ3-CD2 4.33Å; I2011-L2059 HydrophobicContact CG2-CD2 4.42Å; L2015-L2059 HydrophobicContact CD1-CB 4.25Å; L2015-L2059 HydrophobicContact CD2-CB 3.52Å; L2015-L2059 HydrophobicContact CD2-CD1 4.1Å; L2015-L2059 HydrophobicContact CD2-CG 4.48Å; L2015-L2059 HydrophobicContact CG-CB 3.77Å; L2015-L2059 HydrophobicContact CG-CD1 4.17Å; I2018-L2059 HydrophobicContact CD1-CD1 3.9Å; I2055-L2059 PolarHBondContact O-N 3.28Å; I2055-L2059 VanDerWaalsContact O-N 3.07Å; Q2056-L2059 PolarHBondContact O-N 3.07Å; K2057-L2059 PolarHBondContact O-N 3.3Å; L2059-A2062 PolarHBondContact O-N 2.91Å; L2059-Q2063 PolarHBondContact O-N 2.95Å; L2059-Y2086 HydrophobicContact CD2-CD1 3.92Å; L2059-Y2086 HydrophobicContact CD2-CE1 3.82Å; L2059-Y2086 HydrophobicContact CG-CD1 4.47Å; L2059-Y2086 HydrophobicContact CG-CE1 4.02Å; L2059-L2091 HydrophobicContact CD1-CD1 3.89Å; L2059-L2091 HydrophobicContact CD1-CD2 4.22Å; L2059-L2091 HydrophobicContact CD2-CD1 4.48Å; L2059-L2091 HydrophobicContact CD2-CD2 4.21Å; L2059-L2091 HydrophobicContact CG-CD1 4.29Å
2060I81.1Confident71.5Confident78 Ų7857.3 Ų57.340%0.432%0.323SS..Hα-helixtrans-64.5-43.8175.6-70.4170.2000110.2L2015 Q2056 K2057 A2062 Q2063 S2064L2015-I2060 HydrophobicContact CD1-CG1 4.43Å; L2015-I2060 HydrophobicContact CD2-CG1 3.93Å; Q2056-I2060 HydrophobicContact CG-CD1 3.96Å; Q2056-I2060 HydrophobicContact CG-CG1 4.5Å; Q2056-I2060 WeakPolarHBondContact O-CG1 3.47Å; Q2056-I2060 PolarHBondContact O-N 3.32Å; K2057-I2060 PolarHBondContact O-N 2.95Å; I2060-A2062 VanDerWaalsContact C-N 3.32Å; I2060-A2062 PolarHBondContact O-N 3.32Å; I2060-Q2063 CarbonylContact O-C 3.44Å; I2060-Q2063 WeakPolarHBondContact O-CA 3.48Å; I2060-Q2063 WeakPolarHBondContact O-CB 3.45Å; I2060-Q2063 PolarHBondContact O-N 3.13Å; I2060-S2064 PolarHBondContact O-N 3.49Å; I2060-S2064 PolarHBondContact O-OG 2.98Å
2061N75.3Confident69.1Low104 Ų10458.8 Ų58.856%0.55634%0.336SS*.Hα-helixtrans-62.4-38.8176.5-67.812000112K2057 K2058 Q2063 S2064 S2065K2057-N2061 WeakPolarHBondContact O-CB 3.32Å; K2057-N2061 VanDerWaalsContact O-CG 3.24Å; K2057-N2061 PolarHBondContact O-N 3.44Å; K2057-N2061 PolarHBondContact O-OD1 3.47Å; K2057-N2061 VanDerWaalsContact O-OD1 3.13Å; K2058-N2061 PolarHBondContact O-N 3.05Å; N2061-Q2063 PolarHBondContact O-N 3.34Å; N2061-S2064 PolarHBondContact O-N 3.47Å; N2061-S2064 PolarHBondContact O-OG 3.27Å; N2061-S2065 PolarHBondContact O-N 2.84Å; N2061-S2065 PolarHBondContact O-OG 3.39Å
2062A74.3Confident66.4Low4 Ų464.3 Ų64.33%0.03337%0.372CS..Hα-helixtrans-71.6-13.717300000113.7I2011 K2058 L2059 I2060I2011-A2062 HydrophobicContact CD1-CB 4.17Å; I2011-A2062 WeakPolarHBondContact CD1-O 3.47Å; K2058-A2062 WeakPolarHBondContact O-CB 3.5Å; K2058-A2062 PolarHBondContact O-N 3.15Å; L2059-A2062 PolarHBondContact O-N 2.91Å; I2060-A2062 VanDerWaalsContact C-N 3.32Å; I2060-A2062 PolarHBondContact O-N 3.32Å
2063Q72.1Confident64Low69 Ų6970.2 Ų70.232%0.32241%0.409SS..Hα-helixtrans-89.7-39.7170.1-169.4-178.8-12.400112I2011 L2015 L2059 I2060 N2061 S2065 L2066 H2067I2011-Q2063 HydrophobicContact CG2-CB 4Å; L2015-Q2063 HydrophobicContact CD1-CB 4.34Å; L2059-Q2063 PolarHBondContact O-N 2.95Å; I2060-Q2063 CarbonylContact O-C 3.44Å; I2060-Q2063 WeakPolarHBondContact O-CA 3.48Å; I2060-Q2063 WeakPolarHBondContact O-CB 3.45Å; I2060-Q2063 PolarHBondContact O-N 3.13Å; N2061-Q2063 PolarHBondContact O-N 3.34Å; Q2063-S2065 VanDerWaalsContact C-N 3.3Å; Q2063-S2065 PolarHBondContact O-N 3.26Å; Q2063-L2066 WeakPolarHBondContact O-CB 3.37Å; Q2063-L2066 PolarHBondContact O-N 3.35Å; Q2063-L2066 VanDerWaalsContact O-N 3.11Å; Q2063-H2067 PolarHBondContact O-CD2 3.03Å
2064S63.5Low61.8Low69 Ų6970.9 Ų70.948%0.48341%0.411SS..Hα-helixtrans-63.9-35.5-179.654.70000112.2I2060 N2061 L2066 H2067I2060-S2064 PolarHBondContact O-N 3.49Å; I2060-S2064 PolarHBondContact O-OG 2.98Å; N2061-S2064 PolarHBondContact O-N 3.47Å; N2061-S2064 PolarHBondContact O-OG 3.27Å; S2064-L2066 PolarHBondContact O-N 3.45Å; S2064-L2066 VanDerWaalsContact O-N 3.15Å; S2064-H2067 PolarHBondContact O-N 3.01Å
2065S56.8Low59.4Low30 Ų3072.9 Ų72.921%0.2142%0.416CS..THydrogen-bonded Turntrans-65.5-11.817561.80000114.8N2061 Q2063N2061-S2065 PolarHBondContact O-N 2.84Å; N2061-S2065 PolarHBondContact O-OG 3.39Å; Q2063-S2065 VanDerWaalsContact C-N 3.3Å; Q2063-S2065 PolarHBondContact O-N 3.26Å
2066L53.1Low56.9Low61 Ų6182.1 Ų82.132%0.31945%0.452SS..THydrogen-bonded Turntrans-81.9-22.6170.5-71.3164000113.8I2011 Q2063 S2064 I2082I2011-L2066 HydrophobicContact CD1-CD1 4.26Å; Q2063-L2066 WeakPolarHBondContact O-CB 3.37Å; Q2063-L2066 PolarHBondContact O-N 3.35Å; Q2063-L2066 VanDerWaalsContact O-N 3.11Å; S2064-L2066 PolarHBondContact O-N 3.45Å; S2064-L2066 VanDerWaalsContact O-N 3.15Å; L2066-I2082 HydrophobicContact CD2-CD1 3.53Å; L2066-I2082 HydrophobicContact CG-CD1 3.88Å
2067H49.9Very low54.6Low144 Ų14486.5 Ų86.567%0.66747%0.472SS*.THydrogen-bonded Turntrans-96.3-8.8-170.3-73.8-70.2000114.1Q2063 S2064 S2069Q2063-H2067 PolarHBondContact O-CD2 3.03Å; S2064-H2067 PolarHBondContact O-N 3.01Å; H2067-S2069 PolarHBondContact O-N 3.2Å
2068S35.6Very low52.5Low100 Ų10083.8 Ų83.870%0.69946%0.462SS*.SBendtrans-95.436-169.365.50000116
2069S35.1Very low50.3Low62 Ų6284.5 Ų84.543%0.43446%0.463SS..  trans-159.1123163.5700000114.2H2067 I2078H2067-S2069 PolarHBondContact O-N 3.2Å; S2069-I2078 WeakPolarHBondContact OG-CD1 3.44Å
2070S30.3Very low48.3Very low132 Ų13287.6 Ų87.692%0.92348%0.484SS*.  trans-103.863.1176.560.80000112.8
2071S36.9Very low46.4Very low61 Ų6192.6 Ų92.643%0.42750%0.498SS..  trans-145.8146.3168.866.40000111.7T2073S2071-T2073 PolarHBondContact O-N 3.23Å
2072P34.7Very low45Very low122 Ų12288.6 Ų88.679%0.79248%0.477SS*.SBendtrans-81.5-11.9-166.330.4-35.7000115.2
2073T39.7Very low43.8Very low125 Ų12593 Ų9377%0.76750%0.497SS*.SBendtrans-92.9-19.9-169.842.80000115.1S2071S2071-T2073 PolarHBondContact O-N 3.23Å
2074T39.4Very low42.8Very low40 Ų4097.7 Ų97.725%0.24552%0.519CS..SBendtrans-85.1-10.3-176.450.50000114.4Y2076 Q2077 I2078T2074-Y2076 PolarHBondContact O-N 2.8Å; T2074-Q2077 PolarHBondContact O-N 3.24Å; T2074-I2078 PolarHBondContact O-N 2.68Å; T2074-I2078 VanDerWaalsContact O-N 3.12Å
2075K35.6Very low42.6Very low98 Ų98100.3 Ų100.343%0.42652%0.523SS..Hα-helixtrans-58.5-25.9-163.6-156.9171.5-175.8-175.90115.5D2007 R2079D2007-K2075 WeakPolarHBondContact OD1-CE 3.3Å; D2007-K2075 IonicContact OD1-NZ 2.7Å; D2007-K2075 PolarHBondContact OD1-NZ 3.33Å; D2007-K2075 IonicContact OD2-NZ 3.49Å; D2007-K2075 PolarHBondContact OD2-NZ 3.08Å; K2075-R2079 WeakPolarHBondContact O-CG 3.46Å
2076Y37.9Very low43.3Very low193 Ų19399.9 Ų99.976%0.75752%0.517SS*.Hα-helixtrans-84.4-36.4175.2-76.5-86.1000113.7T2074 I2078 R2079 S2080T2074-Y2076 PolarHBondContact O-N 2.8Å; Y2076-I2078 VanDerWaalsContact C-N 3.33Å; Y2076-R2079 PolarHBondContact O-N 2.9Å; Y2076-S2080 PolarHBondContact O-N 2.99Å
2077Q39.3Very low44.5Very low142 Ų14299 Ų9966%0.66451%0.511SS*.Hα-helixtrans-73.3-25.8177.5-72179.5-24.900112.7T2074 S2080T2074-Q2077 PolarHBondContact O-N 3.24Å; Q2077-S2080 PolarHBondContact O-OG 2.98Å
2078I40.6Very low46Very low49 Ų4992.3 Ų92.325%0.25148%0.481SS..Hα-helixtrans-74-39.9174.2-67.4171.9000110.7S2069 T2074 Y2076 S2080 R2081 I2082S2069-I2078 WeakPolarHBondContact OG-CD1 3.44Å; T2074-I2078 PolarHBondContact O-N 2.68Å; T2074-I2078 VanDerWaalsContact O-N 3.12Å; Y2076-I2078 VanDerWaalsContact C-N 3.33Å; I2078-S2080 PolarHBondContact O-N 3.36Å; I2078-R2081 PolarHBondContact O-N 3.15Å; I2078-R2081 VanDerWaalsContact O-N 3.15Å; I2078-I2082 HydrophobicContact CG2-CD1 3.56Å; I2078-I2082 HydrophobicContact CG2-CG1 4.16Å; I2078-I2082 WeakPolarHBondContact O-CG1 3.5Å; I2078-I2082 PolarHBondContact O-N 3.41Å
2079R39.5Very low48.1Very low92 Ų9293.1 Ų93.135%0.34747%0.468SS..Hα-helixtrans-58.3-45.4177.9-79177.9179.6-158.8-0.2112.9C2006 D2007 K2075 Y2076 R2081 I2082 Q2083C2006-R2079 PolarHBondContact O-NH2 3.13Å; D2007-R2079 IonicContact OD1-CZ 2.92Å; D2007-R2079 IonicContact OD1-NH2 3.51Å; D2007-R2079 PolarHBondContact OD1-NH2 3.44Å; K2075-R2079 WeakPolarHBondContact O-CG 3.46Å; Y2076-R2079 PolarHBondContact O-N 2.9Å; R2079-R2081 VanDerWaalsContact C-N 3.27Å; R2079-R2081 PolarHBondContact O-N 3.5Å; R2079-I2082 PolarHBondContact O-N 3.29Å; R2079-Q2083 WeakPolarHBondContact O-CB 3.4Å; R2079-Q2083 VanDerWaalsContact O-CG 3.3Å; R2079-Q2083 WeakPolarHBondContact O-CG 3.1Å; R2079-Q2083 PolarHBondContact O-N 3.24Å; R2079-Q2083 VanDerWaalsContact O-N 3.08Å; R2079-Q2083 PolarHBondContact O-OE1 3.2Å
2080S43.2Very low50.4Low64 Ų6493.6 Ų93.645%0.44847%0.466SS..Hα-helixtrans-69.5-20.517955.90000114.1Y2076 Q2077 I2078 Q2084Y2076-S2080 PolarHBondContact O-N 2.99Å; Q2077-S2080 PolarHBondContact O-OG 2.98Å; I2078-S2080 PolarHBondContact O-N 3.36Å; S2080-Q2084 WeakPolarHBondContact O-CG 3.35Å
2081R40.9Very low53.2Low183 Ų18387.3 Ų87.369%0.69142%0.422SS*.Hα-helixtrans-80.2-48.9170.4-73.8-174.9176.9-178.30.3112.4I2078 R2079 Q2083 Q2084I2078-R2081 PolarHBondContact O-N 3.15Å; I2078-R2081 VanDerWaalsContact O-N 3.15Å; R2079-R2081 VanDerWaalsContact C-N 3.27Å; R2079-R2081 PolarHBondContact O-N 3.5Å; R2081-Q2083 PolarHBondContact O-N 3.03Å; R2081-Q2084 WeakPolarHBondContact O-CA 3.11Å; R2081-Q2084 WeakPolarHBondContact O-CB 3.42Å; R2081-Q2084 PolarHBondContact O-N 3.39Å
2082I46.2Very low55.6Low21 Ų2186.4 Ų86.411%0.10841%0.412CS..Hα-helixtrans-61.9-33-179.5-64.1175.5000111.2L2066 I2078 R2079 Q2084 E2085L2066-I2082 HydrophobicContact CD2-CD1 3.53Å; L2066-I2082 HydrophobicContact CG-CD1 3.88Å; I2078-I2082 HydrophobicContact CG2-CD1 3.56Å; I2078-I2082 HydrophobicContact CG2-CG1 4.16Å; I2078-I2082 WeakPolarHBondContact O-CG1 3.5Å; I2078-I2082 PolarHBondContact O-N 3.41Å; R2079-I2082 PolarHBondContact O-N 3.29Å; I2082-Q2084 PolarHBondContact O-N 3.44Å; I2082-E2085 PolarHBondContact O-N 2.88Å; I2082-E2085 VanDerWaalsContact O-N 3.17Å
2083Q49.6Very low58.1Low97 Ų9785.8 Ų85.845%0.45340%0.397SS..Hα-helixtrans-66.5-11.9172.9-74.5173.3-46.400114.7R2079 R2081R2079-Q2083 WeakPolarHBondContact O-CB 3.4Å; R2079-Q2083 VanDerWaalsContact O-CG 3.3Å; R2079-Q2083 WeakPolarHBondContact O-CG 3.1Å; R2079-Q2083 PolarHBondContact O-N 3.24Å; R2079-Q2083 VanDerWaalsContact O-N 3.08Å; R2079-Q2083 PolarHBondContact O-OE1 3.2Å; R2081-Q2083 PolarHBondContact O-N 3.03Å
2084Q50.8Low60.6Low167 Ų16780.4 Ų80.478%0.7836%0.364SS*.Hα-helixtrans-94.6-16.5172.9-66177.5-14.700113.2S2080 R2081 I2082S2080-Q2084 WeakPolarHBondContact O-CG 3.35Å; R2081-Q2084 WeakPolarHBondContact O-CA 3.11Å; R2081-Q2084 WeakPolarHBondContact O-CB 3.42Å; R2081-Q2084 PolarHBondContact O-N 3.39Å; I2082-Q2084 PolarHBondContact O-N 3.44Å
2085E58.7Low63Low124 Ų12478.6 Ų78.658%0.57935%0.353SS*.Hα-helixtrans-87.4-43.4-174.8-67.8-179.7159.700113.2I2082I2082-E2085 PolarHBondContact O-N 2.88Å; I2082-E2085 VanDerWaalsContact O-N 3.17Å
2086Y72.1Confident65.7Low20 Ų2076.9 Ų76.98%0.07835%0.348CS..  trans-157.3109.2175.5-159-131.9000112.9K2058 L2059 D2090 L2091 D2094K2058-Y2086 HydrophobicContact CB-CD1 4.17Å; K2058-Y2086 HydrophobicContact CB-CE1 3.82Å; K2058-Y2086 HydrophobicContact CB-CE2 4.28Å; K2058-Y2086 HydrophobicContact CD-CD2 4.25Å; K2058-Y2086 HydrophobicContact CD-CE1 4.48Å; K2058-Y2086 HydrophobicContact CD-CE2 3.56Å; L2059-Y2086 HydrophobicContact CD2-CD1 3.92Å; L2059-Y2086 HydrophobicContact CD2-CE1 3.82Å; L2059-Y2086 HydrophobicContact CG-CD1 4.47Å; L2059-Y2086 HydrophobicContact CG-CE1 4.02Å; Y2086-D2090 HydrophobicContact CD2-CB 3.99Å; Y2086-D2090 HydrophobicContact CE2-CB 3.85Å; Y2086-L2091 HydrophobicContact CE1-CB 4.1Å; Y2086-L2091 HydrophobicContact CE1-CD1 4.43Å; Y2086-D2094 PolarHBondContact OH-OD2 2.7Å; Y2086-D2094 VanDerWaalsContact OH-OD2 3.09Å
2087H78.7Confident68.2Low43 Ų4369 Ų6920%0.19932%0.319CS..  trans-89152.1-176.3-165.4-98.5000111.5R2089 D2090 L2091H2087-R2089 WeakPolarHBondContact ND1-CB 3.47Å; H2087-R2089 WeakPolarHBondContact ND1-CG 3.23Å; H2087-R2089 PolarHBondContact ND1-N 3.33Å; H2087-R2089 PolarHBondContact O-N 3.14Å; H2087-D2090 WeakPolarHBondContact CB-OD2 3.36Å; H2087-D2090 PolarHBondContact N-OD2 3.15Å; H2087-D2090 WeakPolarHBondContact O-CB 2.98Å; H2087-D2090 PolarHBondContact O-N 3.32Å; H2087-L2091 PolarHBondContact O-N 2.9Å
2088P80.4Confident70.6Confident4 Ų462.5 Ų62.53%0.02629%0.289CS..Hα-helixtrans-59.2-17.6173.821.8-34.6000114.3W2010 L2092 L2132 T2136 F2139W2010-P2088 HydrophobicContact CD2-CB 4.34Å; W2010-P2088 HydrophobicContact CE3-CB 3.92Å; W2010-P2088 HydrophobicContact CH2-CB 4.02Å; W2010-P2088 HydrophobicContact CH2-CG 4.48Å; W2010-P2088 HydrophobicContact CZ2-CB 4.4Å; W2010-P2088 HydrophobicContact CZ2-CG 4.42Å; W2010-P2088 HydrophobicContact CZ3-CB 3.75Å; P2088-L2092 PolarHBondContact O-N 2.84Å; P2088-L2132 HydrophobicContact CB-CD2 4.03Å; P2088-T2136 HydrophobicContact CG-CG2 4.15Å; P2088-F2139 HydrophobicContact CG-CD2 4.47Å; P2088-F2139 HydrophobicContact CG-CE2 4.24Å
2089R80.6Confident73Confident116 Ų11660.4 Ų60.444%0.43828%0.278SS..Hα-helixtrans-75.8-24.2172-67.6174.4171.2147.3-1.6112.6H2087 F2093 T2136 D2140H2087-R2089 WeakPolarHBondContact ND1-CB 3.47Å; H2087-R2089 WeakPolarHBondContact ND1-CG 3.23Å; H2087-R2089 PolarHBondContact ND1-N 3.33Å; H2087-R2089 PolarHBondContact O-N 3.14Å; R2089-F2093 PolarHBondContact O-N 3Å; R2089-T2136 HydrophobicContact CG-CG2 3.95Å; R2089-D2140 IonicContact CZ-OD1 3.74Å; R2089-D2140 IonicContact CZ-OD2 3.69Å; R2089-D2140 IonicContact NH1-OD1 2.68Å; R2089-D2140 PolarHBondContact NH1-OD1 2.67Å; R2089-D2140 IonicContact NH2-OD1 3.82Å; R2089-D2140 PolarHBondContact NH2-OD1 3.18Å; R2089-D2140 IonicContact NH2-OD2 3.57Å; R2089-D2140 PolarHBondContact NH2-OD2 2.82Å
2090D83.9Confident75.4Confident73 Ų7358 Ų5839%0.3928%0.278SS..Hα-helixtrans-86.5-40-178.3-50.6-34.9000110.7Y2086 H2087 L2092 F2093 D2094Y2086-D2090 HydrophobicContact CD2-CB 3.99Å; Y2086-D2090 HydrophobicContact CE2-CB 3.85Å; H2087-D2090 WeakPolarHBondContact CB-OD2 3.36Å; H2087-D2090 PolarHBondContact N-OD2 3.15Å; H2087-D2090 WeakPolarHBondContact O-CB 2.98Å; H2087-D2090 PolarHBondContact O-N 3.32Å; D2090-L2092 VanDerWaalsContact C-N 3.26Å; D2090-L2092 PolarHBondContact O-N 2.85Å; D2090-F2093 CarbonylContact O-C 3.22Å; D2090-F2093 WeakPolarHBondContact O-CA 3.09Å; D2090-F2093 WeakPolarHBondContact O-CB 3.27Å; D2090-F2093 PolarHBondContact O-N 3.34Å; D2090-D2094 PolarHBondContact O-N 2.75Å
2091L88.2Confident77.6Confident0 Ų055.3 Ų55.30%026%0.259CS..Hα-helixtrans-52.1-46.1166.7173.861.7000111.8W2010 I2018 I2055 L2059 Y2086 H2087 F2093 L2095 L2132W2010-L2091 HydrophobicContact CZ3-CD2 4.06Å; I2018-L2091 HydrophobicContact CD1-CD1 3.91Å; I2055-L2091 HydrophobicContact CG2-CD1 3.39Å; L2059-L2091 HydrophobicContact CD1-CD1 3.89Å; L2059-L2091 HydrophobicContact CD1-CD2 4.22Å; L2059-L2091 HydrophobicContact CD2-CD1 4.48Å; L2059-L2091 HydrophobicContact CD2-CD2 4.21Å; L2059-L2091 HydrophobicContact CG-CD1 4.29Å; Y2086-L2091 HydrophobicContact CE1-CB 4.1Å; Y2086-L2091 HydrophobicContact CE1-CD1 4.43Å; H2087-L2091 PolarHBondContact O-N 2.9Å; L2091-F2093 VanDerWaalsContact C-N 3.3Å; L2091-F2093 PolarHBondContact O-N 3.39Å; L2091-L2095 HydrophobicContact CD1-CD1 4.04Å; L2091-L2095 HydrophobicContact CD1-CG 4.38Å; L2091-L2095 HydrophobicContact CG-CD1 4.21Å; L2091-L2095 WeakPolarHBondContact O-CG 3.49Å; L2091-L2095 PolarHBondContact O-N 2.67Å; L2091-L2095 VanDerWaalsContact O-N 3.16Å; L2091-L2132 HydrophobicContact CB-CD1 4.45Å; L2091-L2132 HydrophobicContact CD2-CD1 3.83Å; L2091-L2132 HydrophobicContact CD2-CD2 3.96Å; L2091-L2132 HydrophobicContact CG-CD1 4.08Å
2092L88.6Confident79.8Confident42 Ų4247.3 Ų47.322%0.2223%0.231CC..Hα-helixtrans-67.7-30.9176.7-171.665.2000112.1P2088 D2090 N2096 V2124 I2128 T2129 L2132P2088-L2092 PolarHBondContact O-N 2.84Å; D2090-L2092 VanDerWaalsContact C-N 3.26Å; D2090-L2092 PolarHBondContact O-N 2.85Å; L2092-N2096 WeakPolarHBondContact O-CB 3.46Å; L2092-N2096 PolarHBondContact O-N 3.2Å; L2092-N2096 PolarHBondContact O-ND2 3.06Å; L2092-V2124 HydrophobicContact CD1-CG1 4.12Å; L2092-I2128 HydrophobicContact CD1-CG2 4.18Å; L2092-T2129 WeakPolarHBondContact CD1-OG1 3.25Å; L2092-T2129 HydrophobicContact CD2-CG2 4.38Å; L2092-L2132 HydrophobicContact CB-CD1 4.06Å; L2092-L2132 HydrophobicContact CD1-CD1 4.47Å
2093F86.2Confident81.8Confident109 Ų10949.2 Ų49.248%0.47824%0.239SC..Hα-helixtrans-69.4-49.4176.1-178.4-94.9000111.5R2089 D2090 L2091 L2095 N2096 L2097R2089-F2093 PolarHBondContact O-N 3Å; D2090-F2093 CarbonylContact O-C 3.22Å; D2090-F2093 WeakPolarHBondContact O-CA 3.09Å; D2090-F2093 WeakPolarHBondContact O-CB 3.27Å; D2090-F2093 PolarHBondContact O-N 3.34Å; L2091-F2093 VanDerWaalsContact C-N 3.3Å; L2091-F2093 PolarHBondContact O-N 3.39Å; F2093-L2095 PolarHBondContact O-N 3.21Å; F2093-N2096 CarbonylContact O-C 3.54Å; F2093-N2096 PolarHBondContact O-N 3.4Å; F2093-N2096 VanDerWaalsContact O-N 3.14Å; F2093-L2097 HydrophobicContact CE1-CD2 4.47Å; F2093-L2097 PolarHBondContact O-N 3.1Å
2094D91.4Very high83.5Confident12 Ų1249.7 Ų49.76%0.06424%0.244CC..Hα-helixtrans-64.5-40.6-178.5-73.5-12.7000112M2050 I2055 K2058 Y2086 D2090 N2096 L2097 I2098M2050-D2094 HydrophobicContact CE-CB 4.29Å; M2050-D2094 WeakPolarHBondContact CE-OD1 3.35Å; M2050-D2094 HydrophobicContact CG-CB 4.1Å; M2050-D2094 HydrophobicContact SD-CB 3.97Å; I2055-D2094 HydrophobicContact CD1-CB 3.61Å; I2055-D2094 HydrophobicContact CG1-CB 3.77Å; K2058-D2094 IonicContact NZ-OD1 2.7Å; K2058-D2094 IonicContact NZ-OD2 3.78Å; K2058-D2094 PolarHBondContact NZ-OD2 3.17Å; Y2086-D2094 PolarHBondContact OH-OD2 2.7Å; Y2086-D2094 VanDerWaalsContact OH-OD2 3.09Å; D2090-D2094 PolarHBondContact O-N 2.75Å; D2094-N2096 VanDerWaalsContact C-N 3.29Å; D2094-N2096 PolarHBondContact O-N 3.23Å; D2094-L2097 WeakPolarHBondContact O-CB 3.45Å; D2094-L2097 PolarHBondContact O-N 3.39Å; D2094-I2098 PolarHBondContact O-N 3.28Å; D2094-I2098 VanDerWaalsContact O-N 3.11Å
2095L90.4Very high85Confident1 Ų144.5 Ų44.51%0.00522%0.217CC..Hα-helixtrans-61.2-37.1173.4-74.5168.8000112.6I2018 L2052 I2055 L2091 F2093 V2124 I2128I2018-L2095 HydrophobicContact CD1-CD2 4.34Å; L2052-L2095 HydrophobicContact CD2-CD2 3.76Å; I2055-L2095 HydrophobicContact CD1-CD2 3.83Å; I2055-L2095 HydrophobicContact CD1-CG 3.94Å; L2091-L2095 HydrophobicContact CD1-CD1 4.04Å; L2091-L2095 HydrophobicContact CD1-CG 4.38Å; L2091-L2095 HydrophobicContact CG-CD1 4.21Å; L2091-L2095 WeakPolarHBondContact O-CG 3.49Å; L2091-L2095 PolarHBondContact O-N 2.67Å; L2091-L2095 VanDerWaalsContact O-N 3.16Å; F2093-L2095 PolarHBondContact O-N 3.21Å; L2095-V2124 HydrophobicContact CB-CG1 4.21Å; L2095-V2124 HydrophobicContact CB-CG2 4.12Å; L2095-I2128 HydrophobicContact CD1-CD1 3.58Å; L2095-I2128 HydrophobicContact CD1-CG2 3.86Å
2096N91.8Very high86Confident63 Ų6340.1 Ų40.134%0.33720%0.198SC..Hα-helixtrans-73.7-26.5173.6-84.1-80.8000112.6L2092 F2093 D2094 V2099 A2100L2092-N2096 WeakPolarHBondContact O-CB 3.46Å; L2092-N2096 PolarHBondContact O-N 3.2Å; L2092-N2096 PolarHBondContact O-ND2 3.06Å; F2093-N2096 CarbonylContact O-C 3.54Å; F2093-N2096 PolarHBondContact O-N 3.4Å; F2093-N2096 VanDerWaalsContact O-N 3.14Å; D2094-N2096 VanDerWaalsContact C-N 3.29Å; D2094-N2096 PolarHBondContact O-N 3.23Å; N2096-V2099 PolarHBondContact O-N 3.41Å; N2096-A2100 WeakPolarHBondContact O-CB 3.43Å; N2096-A2100 PolarHBondContact O-N 3.31Å
2097L90.5Very high86.3Confident27 Ų2741.9 Ų41.914%0.14121%0.211CC..Hα-helixtrans-68.2-40.9175.6-175.258.3000111.3R2048 M2050 F2093 D2094 V2099 A2100 N2101R2048-L2097 HydrophobicContact CB-CD2 4.27Å; M2050-L2097 HydrophobicContact CB-CB 4.33Å; M2050-L2097 HydrophobicContact CB-CD2 3.89Å; M2050-L2097 HydrophobicContact CB-CG 3.96Å; M2050-L2097 HydrophobicContact CE-CD2 4.03Å; M2050-L2097 HydrophobicContact CG-CB 4.44Å; M2050-L2097 HydrophobicContact CG-CD2 4.32Å; F2093-L2097 HydrophobicContact CE1-CD2 4.47Å; F2093-L2097 PolarHBondContact O-N 3.1Å; D2094-L2097 WeakPolarHBondContact O-CB 3.45Å; D2094-L2097 PolarHBondContact O-N 3.39Å; L2097-V2099 PolarHBondContact O-N 3.35Å; L2097-A2100 PolarHBondContact O-N 2.83Å; L2097-N2101 WeakPolarHBondContact O-CB 3.46Å; L2097-N2101 PolarHBondContact O-N 2.98Å; L2097-N2101 PolarHBondContact O-ND2 2.81Å; L2097-N2101 PolarHBondContact O-OD1 2.77Å
2098I90.8Very high86.3Confident6 Ų642 Ų423%0.03121%0.213CC..Hα-helixtrans-54.4-52.3170.7-60.7175.3000110.5F2030 M2050 D2051 L2052 I2055 D2094 A2100 N2101 A2102 L2120F2030-I2098 HydrophobicContact CB-CG2 3.92Å; F2030-I2098 HydrophobicContact CD1-CG2 3.94Å; F2030-I2098 HydrophobicContact CG-CG2 4.11Å; M2050-I2098 HydrophobicContact CB-CG1 4.11Å; M2050-I2098 HydrophobicContact CG-CD1 4.47Å; M2050-I2098 HydrophobicContact CG-CG1 3.83Å; D2051-I2098 VanDerWaalsContact C-CD1 3.47Å; L2052-I2098 HydrophobicContact CD2-CD1 3.62Å; L2052-I2098 HydrophobicContact CG-CD1 3.99Å; I2055-I2098 HydrophobicContact CD1-CD1 3.55Å; I2055-I2098 HydrophobicContact CD1-CG1 4.32Å; D2094-I2098 PolarHBondContact O-N 3.28Å; D2094-I2098 VanDerWaalsContact O-N 3.11Å; I2098-A2100 VanDerWaalsContact C-N 3.28Å; I2098-A2100 PolarHBondContact O-N 2.96Å; I2098-N2101 PolarHBondContact O-N 3.31Å; I2098-A2102 WeakPolarHBondContact O-CB 3.28Å; I2098-A2102 PolarHBondContact O-N 2.97Å; I2098-L2120 HydrophobicContact CB-CD2 4.47Å; I2098-L2120 HydrophobicContact CG2-CD2 3.72Å
2099V91Very high86.2Confident5 Ų544.7 Ų44.73%0.0323%0.231CC..Hα-helixtrans-62.4-34.2179.8171.10000112N2096 L2097 K2103 L2120 E2121N2096-V2099 PolarHBondContact O-N 3.41Å; L2097-V2099 PolarHBondContact O-N 3.35Å; V2099-K2103 HydrophobicContact CG1-CD 4.29Å; V2099-K2103 VanDerWaalsContact O-CD 3.3Å; V2099-K2103 WeakPolarHBondContact O-CD 3.38Å; V2099-K2103 VanDerWaalsContact O-CG 3.26Å; V2099-K2103 WeakPolarHBondContact O-CG 3.5Å; V2099-K2103 PolarHBondContact O-N 3.25Å; V2099-L2120 HydrophobicContact CG2-CB 4.31Å; V2099-L2120 HydrophobicContact CG2-CD2 3.76Å; V2099-L2120 HydrophobicContact CG2-CG 3.77Å; V2099-E2121 HydrophobicContact CG1-CB 3.84Å; V2099-E2121 HydrophobicContact CG1-CG 4.3Å
2100A89.3Confident85.8Confident41 Ų4145.6 Ų45.634%0.33924%0.244SC..Hα-helixtrans-71.2-46.3175.900000112N2096 L2097 I2098 K2103 L2104N2096-A2100 WeakPolarHBondContact O-CB 3.43Å; N2096-A2100 PolarHBondContact O-N 3.31Å; L2097-A2100 PolarHBondContact O-N 2.83Å; I2098-A2100 VanDerWaalsContact C-N 3.28Å; I2098-A2100 PolarHBondContact O-N 2.96Å; A2100-K2103 PolarHBondContact O-N 3.39Å; A2100-L2104 WeakPolarHBondContact O-CG 3.3Å; A2100-L2104 PolarHBondContact O-N 3.4Å
2101N89.5Confident85.7Confident8 Ų844.3 Ų44.34%0.04324%0.239CC..Hα-helixtrans-62.9-47.9-179.3-69.9-12.2000111.5I2046 R2048 L2097 I2098 K2103 L2104 Y2105I2046-N2101 HydrophobicContact CD1-CB 4.17Å; I2046-N2101 HydrophobicContact CG2-CB 4.08Å; R2048-N2101 PolarHBondContact O-ND2 3.15Å; L2097-N2101 WeakPolarHBondContact O-CB 3.46Å; L2097-N2101 PolarHBondContact O-N 2.98Å; L2097-N2101 PolarHBondContact O-ND2 2.81Å; L2097-N2101 PolarHBondContact O-OD1 2.77Å; I2098-N2101 PolarHBondContact O-N 3.31Å; N2101-K2103 PolarHBondContact O-N 2.82Å; N2101-L2104 PolarHBondContact O-N 2.92Å; N2101-Y2105 PolarHBondContact O-N 2.95Å
2102A87.2Confident85.4Confident14 Ų1450.1 Ų50.112%0.11627%0.266CS..Hα-helixtrans-58.4-34.7177.900000112.7F2030 I2098 N2106 T2117F2030-A2102 HydrophobicContact CD1-CB 4.49Å; F2030-A2102 HydrophobicContact CE1-CB 3.85Å; I2098-A2102 WeakPolarHBondContact O-CB 3.28Å; I2098-A2102 PolarHBondContact O-N 2.97Å; A2102-N2106 WeakPolarHBondContact O-CA 3.43Å; A2102-N2106 PolarHBondContact O-N 3.43Å; A2102-N2106 VanDerWaalsContact O-O 3.05Å; A2102-T2117 HydrophobicContact CB-CG2 3.66Å; A2102-T2117 WeakPolarHBondContact CB-OG1 3.47Å
2103K87.2Confident85.1Confident62 Ų6249.8 Ų49.827%0.2727%0.266SS..Hα-helixtrans-81-14.8174.7-71.6171.5-177163.30115.3V2099 A2100 N2101 T2107 T2117 E2121V2099-K2103 HydrophobicContact CG1-CD 4.29Å; V2099-K2103 VanDerWaalsContact O-CD 3.3Å; V2099-K2103 WeakPolarHBondContact O-CD 3.38Å; V2099-K2103 VanDerWaalsContact O-CG 3.26Å; V2099-K2103 WeakPolarHBondContact O-CG 3.5Å; V2099-K2103 PolarHBondContact O-N 3.25Å; A2100-K2103 PolarHBondContact O-N 3.39Å; N2101-K2103 PolarHBondContact O-N 2.82Å; K2103-T2107 WeakPolarHBondContact O-CG2 3.37Å; K2103-T2117 HydrophobicContact CG-CG2 3.82Å; K2103-E2121 IonicContact NZ-OE1 2.71Å; K2103-E2121 PolarHBondContact NZ-OE1 2.87Å; K2103-E2121 IonicContact NZ-OE2 3.4Å; K2103-E2121 PolarHBondContact NZ-OE2 2.86Å
2104L85.4Confident85.1Confident106 Ų10647 Ų4756%0.55525%0.254SS*.Hα-helixtrans-86.7-46.2175.2-80.4168.3000110I2046 A2100 N2101 T2107I2046-L2104 HydrophobicContact CD1-CB 3.52Å; I2046-L2104 HydrophobicContact CD1-CD1 4.24Å; A2100-L2104 WeakPolarHBondContact O-CG 3.3Å; A2100-L2104 PolarHBondContact O-N 3.4Å; N2101-L2104 PolarHBondContact O-N 2.92Å; L2104-T2107 WeakPolarHBondContact O-CG2 3.44Å
2105Y84.1Confident84.7Confident58 Ų5850.6 Ų50.623%0.22727%0.273CS..Hα-helixtrans-75.3-64.2178.2-167.8-109.3000111.4Y2039 D2041 Y2042 I2045 N2101 T2107Y2039-Y2105 HydrophobicContact CD1-CE1 4.05Å; Y2039-Y2105 WeakPolarHBondContact CD1-OH 3.46Å; D2041-Y2105 WeakPolarHBondContact OD1-CE2 3.47Å; D2041-Y2105 PolarHBondContact OD1-OH 2.96Å; Y2042-Y2105 AromaticContact CD2-CD1 3.7Å; Y2042-Y2105 HydrophobicContact CD2-CD1 3.7Å; Y2042-Y2105 AromaticContact CD2-CD2 3.6Å; Y2042-Y2105 HydrophobicContact CD2-CD2 3.6Å; Y2042-Y2105 AromaticContact CD2-CE1 3.97Å; Y2042-Y2105 HydrophobicContact CD2-CE1 3.97Å; Y2042-Y2105 AromaticContact CD2-CE2 3.89Å; Y2042-Y2105 HydrophobicContact CD2-CE2 3.89Å; Y2042-Y2105 AromaticContact CD2-CG 3.53Å; Y2042-Y2105 HydrophobicContact CD2-CG 3.53Å; Y2042-Y2105 HydrophobicContact CE2-CD1 4.03Å; Y2042-Y2105 HydrophobicContact CE2-CD2 4.29Å; Y2042-Y2105 AromaticContact CE2-CG 3.83Å; Y2042-Y2105 HydrophobicContact CE2-CG 3.83Å; Y2042-Y2105 HydrophobicContact CG-CD2 4.37Å; Y2042-Y2105 HydrophobicContact CG-CE2 4.43Å; I2045-Y2105 HydrophobicContact CB-CD2 4.27Å; I2045-Y2105 HydrophobicContact CD1-CD2 3.96Å; I2045-Y2105 HydrophobicContact CD1-CE2 4.01Å; I2045-Y2105 HydrophobicContact CG2-CD2 4.27Å; N2101-Y2105 PolarHBondContact O-N 2.95Å; Y2105-T2107 PolarHBondContact O-N 3.15Å
2106N79Confident84.7Confident33 Ų3350.6 Ų50.618%0.17627%0.273CS..  trans-86116.8175.4-167.9-16.2000111.1A2102 D2108 T2111A2102-N2106 WeakPolarHBondContact O-CA 3.43Å; A2102-N2106 PolarHBondContact O-N 3.43Å; A2102-N2106 VanDerWaalsContact O-O 3.05Å; N2106-D2108 PolarHBondContact OD1-N 3.42Å; N2106-T2111 PolarHBondContact ND2-OG1 2.97Å; N2106-T2111 PolarHBondContact OD1-OG1 2.97Å
2107T77.6Confident84.7Confident56 Ų5647.7 Ų47.734%0.34426%0.257SS..  trans-125.912.6-174.769.30000113.3R1195 K2103 L2104 Y2105R1195-T2107 PolarHBondContact NH2-OG1 3.32Å; K2103-T2107 WeakPolarHBondContact O-CG2 3.37Å; L2104-T2107 WeakPolarHBondContact O-CG2 3.44Å; Y2105-T2107 PolarHBondContact O-N 3.15Å
2108D78.7Confident84.6Confident47 Ų4749.2 Ų49.225%0.25127%0.265SS..  trans-98.4109.3177-163-40.7000110.3R1191 N2106 D2110 T2111 F2114R1191-D2108 IonicContact CZ-OD1 2.91Å; R1191-D2108 IonicContact CZ-OD2 2.95Å; R1191-D2108 VanDerWaalsContact NH1-CG 3.31Å; R1191-D2108 IonicContact NH1-OD1 3.94Å; R1191-D2108 IonicContact NH1-OD2 2.72Å; R1191-D2108 PolarHBondContact NH1-OD2 3.01Å; R1191-D2108 IonicContact NH2-OD1 2.71Å; R1191-D2108 PolarHBondContact NH2-OD1 2.91Å; R1191-D2108 IonicContact NH2-OD2 3.64Å; R1191-D2108 PolarHBondContact NH2-OD2 3.38Å; N2106-D2108 PolarHBondContact OD1-N 3.42Å; D2108-D2110 PolarHBondContact O-N 3.47Å; D2108-D2110 WeakPolarHBondContact OD1-CB 3.29Å; D2108-D2110 PolarHBondContact OD1-N 2.87Å; D2108-T2111 HydrophobicContact CB-CG2 3.85Å; D2108-T2111 PolarHBondContact O-N 3.27Å; D2108-T2111 PolarHBondContact O-OG1 3.49Å; D2108-F2114 WeakPolarHBondContact O-CB 3.43Å
2109P77.8Confident84.7Confident60 Ų6051 Ų5139%0.3927%0.272SS..THydrogen-bonded Turntrans-72.3-6.6-176.934.4-38.2000113.3T2111 F2114P2109-T2111 VanDerWaalsContact C-N 3.29Å; P2109-F2114 HydrophobicContact CB-CD1 4.08Å; P2109-F2114 HydrophobicContact CB-CE1 3.98Å; P2109-F2114 HydrophobicContact CB-CZ 4.39Å
2110D74.1Confident84.8Confident134 Ų13450.8 Ų50.872%0.71727%0.27SS*.THydrogen-bonded Turntrans-92.910.1179.8-51.3-65.4000111R1191 D2108R1191-D2110 IonicContact CZ-OD2 2.63Å; R1191-D2110 IonicContact NH2-OD2 2.78Å; R1191-D2110 PolarHBondContact NH2-OD2 3.47Å; D2108-D2110 PolarHBondContact O-N 3.47Å; D2108-D2110 WeakPolarHBondContact OD1-CB 3.29Å; D2108-D2110 PolarHBondContact OD1-N 2.87Å
2111T81Confident85Confident46 Ų4651.4 Ų51.428%0.28227%0.266SS..SBendtrans-110.4142.9179.566.10000113.1N2106 D2108 P2109 V2113 F2114N2106-T2111 PolarHBondContact ND2-OG1 2.97Å; N2106-T2111 PolarHBondContact OD1-OG1 2.97Å; D2108-T2111 HydrophobicContact CB-CG2 3.85Å; D2108-T2111 PolarHBondContact O-N 3.27Å; D2108-T2111 PolarHBondContact O-OG1 3.49Å; P2109-T2111 VanDerWaalsContact C-N 3.29Å; T2111-V2113 VanDerWaalsContact C-N 3.29Å; T2111-V2113 PolarHBondContact O-N 3.36Å; T2111-F2114 WeakPolarHBondContact O-CB 3.26Å; T2111-F2114 PolarHBondContact O-N 2.69Å
2112Q81.3Confident85Confident123 Ų12354.9 Ų54.958%0.57529%0.285SS*.Hα-helixtrans-59.5-36.7-177.6-170.7-173-36.100113.1F2114 D2115 D2116Q2112-F2114 PolarHBondContact O-N 3.43Å; Q2112-D2115 PolarHBondContact O-N 2.99Å; Q2112-D2115 VanDerWaalsContact O-N 3.13Å; Q2112-D2116 PolarHBondContact NE2-OD2 3.3Å; Q2112-D2116 PolarHBondContact O-N 3.47Å
2113V82.8Confident85.3Confident35 Ų3555.7 Ų55.721%0.21229%0.285CS..Hα-helixtrans-59-33.6177.5-176.30000111.5Y2029 T2111 T2117Y2029-V2113 HydrophobicContact CD1-CG2 3.81Å; Y2029-V2113 HydrophobicContact CD2-CB 4.42Å; Y2029-V2113 HydrophobicContact CD2-CG1 4.46Å; Y2029-V2113 HydrophobicContact CD2-CG2 3.93Å; Y2029-V2113 HydrophobicContact CE1-CG2 3.77Å; Y2029-V2113 HydrophobicContact CE2-CG2 3.89Å; Y2029-V2113 HydrophobicContact CG-CG1 4.26Å; Y2029-V2113 HydrophobicContact CG-CG2 3.88Å; T2111-V2113 VanDerWaalsContact C-N 3.29Å; T2111-V2113 PolarHBondContact O-N 3.36Å; V2113-T2117 VanDerWaalsContact O-CB 3.3Å; V2113-T2117 WeakPolarHBondContact O-CB 3.46Å; V2113-T2117 PolarHBondContact O-N 3.11Å; V2113-T2117 PolarHBondContact O-OG1 3.37Å
2114F85.4Confident85.5Confident50 Ų5052.8 Ų52.822%0.21927%0.272CS..Hα-helixtrans-70.4-40.1176.9-171.9-87.4000112.2D2108 P2109 T2111 Q2112 T2117 L2118D2108-F2114 WeakPolarHBondContact O-CB 3.43Å; P2109-F2114 HydrophobicContact CB-CD1 4.08Å; P2109-F2114 HydrophobicContact CB-CE1 3.98Å; P2109-F2114 HydrophobicContact CB-CZ 4.39Å; T2111-F2114 WeakPolarHBondContact O-CB 3.26Å; T2111-F2114 PolarHBondContact O-N 2.69Å; Q2112-F2114 PolarHBondContact O-N 3.43Å; F2114-T2117 WeakPolarHBondContact O-CB 3.37Å; F2114-T2117 PolarHBondContact O-N 3.39Å; F2114-L2118 PolarHBondContact O-N 3.05Å
2115D84.7Confident85.6Confident87 Ų8751.4 Ų51.447%0.46527%0.265SS..Hα-helixtrans-65.9-42.3173.5-92.5-10.7000112Q2112 T2117 L2118 W2119Q2112-D2115 PolarHBondContact O-N 2.99Å; Q2112-D2115 VanDerWaalsContact O-N 3.13Å; D2115-T2117 VanDerWaalsContact C-N 3.3Å; D2115-T2117 PolarHBondContact O-N 3.04Å; D2115-L2118 PolarHBondContact O-N 3.12Å; D2115-W2119 PolarHBondContact O-N 3.16Å
2116D89.7Confident85.7Confident2 Ų254.4 Ų54.41%0.01129%0.285CS..Hα-helixtrans-68.5-31.2176.7-71.2-22.6000111.2R2026 Y2029 F2030 Q2112 W2119 L2120R2026-D2116 HydrophobicContact CB-CB 4.33Å; R2026-D2116 WeakPolarHBondContact CB-OD1 3.37Å; R2026-D2116 WeakPolarHBondContact CD-OD1 3.43Å; R2026-D2116 WeakPolarHBondContact CG-OD1 3.41Å; R2026-D2116 IonicContact CZ-OD1 3.76Å; R2026-D2116 IonicContact NE-OD1 3.81Å; R2026-D2116 PolarHBondContact NE-OD1 3.28Å; Y2029-D2116 HydrophobicContact CD2-CB 4.44Å; F2030-D2116 HydrophobicContact CE2-CB 4.24Å; F2030-D2116 HydrophobicContact CZ-CB 4.4Å; Q2112-D2116 PolarHBondContact NE2-OD2 3.3Å; Q2112-D2116 PolarHBondContact O-N 3.47Å; D2116-W2119 PolarHBondContact O-N 3.28Å; D2116-L2120 PolarHBondContact O-N 3.04Å
2117T90.9Very high86.1Confident2 Ų255.1 Ų55.11%0.01229%0.291CS..Hα-helixtrans-67.5-39.4170.6-58.10000112F2030 A2102 K2103 V2113 F2114 D2115 W2119 L2120 E2121F2030-T2117 WeakPolarHBondContact CZ-OG1 3.47Å; A2102-T2117 HydrophobicContact CB-CG2 3.66Å; A2102-T2117 WeakPolarHBondContact CB-OG1 3.47Å; K2103-T2117 HydrophobicContact CG-CG2 3.82Å; V2113-T2117 VanDerWaalsContact O-CB 3.3Å; V2113-T2117 WeakPolarHBondContact O-CB 3.46Å; V2113-T2117 PolarHBondContact O-N 3.11Å; V2113-T2117 PolarHBondContact O-OG1 3.37Å; F2114-T2117 WeakPolarHBondContact O-CB 3.37Å; F2114-T2117 PolarHBondContact O-N 3.39Å; D2115-T2117 VanDerWaalsContact C-N 3.3Å; D2115-T2117 PolarHBondContact O-N 3.04Å; T2117-W2119 VanDerWaalsContact C-N 3.32Å; T2117-L2120 PolarHBondContact O-N 3.15Å; T2117-E2121 PolarHBondContact O-N 3.11Å
2118L88.7Confident86.3Confident58 Ų5852.5 Ų52.530%0.30428%0.275SS..Hα-helixtrans-68.2-34.7175.4-159.484.1000111.3F2114 D2115 N2122F2114-L2118 PolarHBondContact O-N 3.05Å; D2115-L2118 PolarHBondContact O-N 3.12Å; L2118-N2122 PolarHBondContact O-N 3.2Å; L2118-N2122 PolarHBondContact O-ND2 3.28Å
2119W93.2Very high86.6Confident45 Ų4551.5 Ų51.517%0.1727%0.27CS..Hα-helixtrans-65.3-44.9172.1168.779.7000111.9L2021 H2024 R2026 D2115 D2116 T2117 E2121 N2122 W2123L2021-W2119 HydrophobicContact CD1-CH2 3.5Å; L2021-W2119 VanDerWaalsContact CD1-CH2 3.5Å; L2021-W2119 HydrophobicContact CD1-CZ2 4.36Å; L2021-W2119 HydrophobicContact CD1-CZ3 4.04Å; H2024-W2119 HydrophobicContact CB-CH2 3.94Å; H2024-W2119 HydrophobicContact CB-CZ2 4.2Å; H2024-W2119 AromaticContact CE1-CE2 3.41Å; H2024-W2119 VanDerWaalsContact CE1-CE2 3.41Å; H2024-W2119 AromaticContact CE1-CH2 3.81Å; H2024-W2119 AromaticContact CE1-CZ2 3.23Å; H2024-W2119 WeakPolarHBondContact CE1-CZ2 3.45Å; H2024-W2119 AromaticContact CE1-NE1 3.73Å; H2024-W2119 AromaticContact CG-CH2 3.64Å; H2024-W2119 AromaticContact CG-CZ2 3.5Å; H2024-W2119 AromaticContact ND1-CE2 3.6Å; H2024-W2119 AromaticContact ND1-CH2 3.09Å; H2024-W2119 WeakPolarHBondContact ND1-CH2 3.43Å; H2024-W2119 AromaticContact ND1-CZ2 2.98Å; H2024-W2119 WeakPolarHBondContact ND1-CZ2 3.39Å; H2024-W2119 AromaticContact ND1-CZ3 3.82Å; H2024-W2119 AromaticContact NE2-CZ2 3.87Å; R2026-W2119 HydrophobicContact CB-CD2 3.77Å; R2026-W2119 HydrophobicContact CB-CE3 3.4Å; R2026-W2119 HydrophobicContact CB-CG 4.45Å; R2026-W2119 HydrophobicContact CB-CH2 4.28Å; R2026-W2119 HydrophobicContact CB-CZ3 3.67Å; R2026-W2119 HydrophobicContact CG-CD2 4.38Å; R2026-W2119 HydrophobicContact CG-CE3 4.44Å; D2115-W2119 PolarHBondContact O-N 3.16Å; D2116-W2119 PolarHBondContact O-N 3.28Å; T2117-W2119 VanDerWaalsContact C-N 3.32Å; W2119-E2121 PolarHBondContact O-N 3.44Å; W2119-N2122 PolarHBondContact O-N 3.38Å; W2119-W2123 PolarHBondContact O-N 2.91Å
2120L92.9Very high86.7Confident0 Ų051.5 Ų51.50%027%0.27CS..Hα-helixtrans-61.4-42.6176-178.165.7000111.8L2021 F2030 I2098 V2099 D2116 T2117 N2122 W2123 V2124L2021-L2120 HydrophobicContact CD1-CD1 3.94Å; L2021-L2120 HydrophobicContact CD2-CD1 4Å; F2030-L2120 HydrophobicContact CB-CD2 4.35Å; F2030-L2120 HydrophobicContact CD1-CD2 4.37Å; F2030-L2120 HydrophobicContact CD2-CB 4.46Å; F2030-L2120 HydrophobicContact CD2-CD2 3.75Å; F2030-L2120 HydrophobicContact CE2-CB 4.23Å; F2030-L2120 HydrophobicContact CE2-CD2 4.17Å; F2030-L2120 HydrophobicContact CG-CD2 3.88Å; I2098-L2120 HydrophobicContact CB-CD2 4.47Å; I2098-L2120 HydrophobicContact CG2-CD2 3.72Å; V2099-L2120 HydrophobicContact CG2-CB 4.31Å; V2099-L2120 HydrophobicContact CG2-CD2 3.76Å; V2099-L2120 HydrophobicContact CG2-CG 3.77Å; D2116-L2120 PolarHBondContact O-N 3.04Å; T2117-L2120 PolarHBondContact O-N 3.15Å; L2120-N2122 VanDerWaalsContact C-N 3.34Å; L2120-N2122 PolarHBondContact O-N 2.72Å; L2120-W2123 PolarHBondContact O-N 3.49Å; L2120-V2124 HydrophobicContact CD1-CG2 4.26Å; L2120-V2124 HydrophobicContact CG-CG2 4.44Å; L2120-V2124 WeakPolarHBondContact O-CG2 3.4Å; L2120-V2124 PolarHBondContact O-N 3.19Å
2121E93Very high86.8Confident54 Ų5447.4 Ų47.425%0.25225%0.251SS..Hα-helixtrans-54.7-48.6173.9175.3169.5-129.200111.8V2099 K2103 T2117 W2119 N2125V2099-E2121 HydrophobicContact CG1-CB 3.84Å; V2099-E2121 HydrophobicContact CG1-CG 4.3Å; K2103-E2121 IonicContact NZ-OE1 2.71Å; K2103-E2121 PolarHBondContact NZ-OE1 2.87Å; K2103-E2121 IonicContact NZ-OE2 3.4Å; K2103-E2121 PolarHBondContact NZ-OE2 2.86Å; T2117-E2121 PolarHBondContact O-N 3.11Å; W2119-E2121 PolarHBondContact O-N 3.44Å; E2121-N2125 PolarHBondContact O-N 3.46Å; E2121-N2125 PolarHBondContact O-ND2 3.46Å
2122N90.4Very high86.6Confident80 Ų8045.4 Ų45.443%0.42824%0.239SC..Hα-helixtrans-65.6-43.1179.7-63.9-39.3000111.2L2118 W2119 L2120 V2124 N2125 D2126L2118-N2122 PolarHBondContact O-N 3.2Å; L2118-N2122 PolarHBondContact O-ND2 3.28Å; W2119-N2122 PolarHBondContact O-N 3.38Å; L2120-N2122 VanDerWaalsContact C-N 3.34Å; L2120-N2122 PolarHBondContact O-N 2.72Å; N2122-V2124 PolarHBondContact O-N 2.72Å; N2122-N2125 PolarHBondContact O-N 2.78Å; N2122-D2126 VanDerWaalsContact O-CB 3.3Å; N2122-D2126 WeakPolarHBondContact O-CB 3.32Å; N2122-D2126 PolarHBondContact O-N 3.48Å
2123W92.6Very high86Confident32 Ų3243.5 Ų43.512%0.12123%0.233CC..Hα-helixtrans-62.6-41.3179.2-175.294.6000112.8L2017 L2021 W2119 L2120 N2125 V2127 I2128L2017-W2123 HydrophobicContact CB-CH2 4.26Å; L2017-W2123 HydrophobicContact CB-CZ2 4.38Å; L2017-W2123 WeakPolarHBondContact O-CH2 3.24Å; L2017-W2123 WeakPolarHBondContact O-CZ2 3.01Å; L2021-W2123 HydrophobicContact CB-CH2 3.8Å; L2021-W2123 HydrophobicContact CB-CZ2 3.95Å; L2021-W2123 HydrophobicContact CB-CZ3 4.29Å; L2021-W2123 HydrophobicContact CD1-CD2 3.76Å; L2021-W2123 HydrophobicContact CD1-CE3 3.76Å; L2021-W2123 HydrophobicContact CD1-CG 4.31Å; L2021-W2123 HydrophobicContact CD1-CH2 4.17Å; L2021-W2123 HydrophobicContact CD1-CZ2 4.19Å; L2021-W2123 HydrophobicContact CD1-CZ3 3.96Å; L2021-W2123 HydrophobicContact CD2-CE3 4.19Å; L2021-W2123 HydrophobicContact CD2-CH2 4.04Å; L2021-W2123 HydrophobicContact CD2-CZ3 3.7Å; L2021-W2123 HydrophobicContact CG-CE3 4.48Å; L2021-W2123 HydrophobicContact CG-CH2 4.23Å; L2021-W2123 HydrophobicContact CG-CZ3 4.2Å; W2119-W2123 PolarHBondContact O-N 2.91Å; L2120-W2123 PolarHBondContact O-N 3.49Å; W2123-N2125 VanDerWaalsContact C-N 3.35Å; W2123-N2125 PolarHBondContact O-N 3.22Å; W2123-V2127 HydrophobicContact CD2-CB 4.3Å; W2123-V2127 HydrophobicContact CD2-CG2 4.49Å; W2123-V2127 HydrophobicContact CG-CB 4.44Å; W2123-V2127 HydrophobicContact CG-CG2 4.15Å; W2123-V2127 HydrophobicContact CZ2-CG1 4.27Å; W2123-V2127 WeakPolarHBondContact O-CA 3.37Å; W2123-V2127 VanDerWaalsContact O-CB 3.28Å; W2123-V2127 WeakPolarHBondContact O-CB 3.42Å; W2123-V2127 PolarHBondContact O-N 3.26Å; W2123-I2128 HydrophobicContact CH2-CD1 3.5Å; W2123-I2128 HydrophobicContact CH2-CG1 3.72Å; W2123-I2128 HydrophobicContact CZ3-CB 4.36Å; W2123-I2128 HydrophobicContact CZ3-CD1 3.5Å; W2123-I2128 VanDerWaalsContact CZ3-CD1 3.5Å; W2123-I2128 HydrophobicContact CZ3-CG1 3.78Å
2124V91.4Very high85.2Confident1 Ų150.8 Ų50.81%0.00626%0.256CS..Iπ-helixtrans-63.4-40.5175.6172.70000111.4L2092 L2095 L2120 N2122 T2129L2092-V2124 HydrophobicContact CD1-CG1 4.12Å; L2095-V2124 HydrophobicContact CB-CG1 4.21Å; L2095-V2124 HydrophobicContact CB-CG2 4.12Å; L2120-V2124 HydrophobicContact CD1-CG2 4.26Å; L2120-V2124 HydrophobicContact CG-CG2 4.44Å; L2120-V2124 WeakPolarHBondContact O-CG2 3.4Å; L2120-V2124 PolarHBondContact O-N 3.19Å; N2122-V2124 PolarHBondContact O-N 2.72Å; V2124-T2129 WeakPolarHBondContact O-CB 3.2Å; V2124-T2129 PolarHBondContact O-N 3.25Å; V2124-T2129 PolarHBondContact O-OG1 3.09Å
2125N88.8Confident84.2Confident76 Ų7650.5 Ų50.541%0.40626%0.255SS..Iπ-helixtrans-73.6-40.4179-76.6-71.3000113.5E2121 N2122 W2123 P2130E2121-N2125 PolarHBondContact O-N 3.46Å; E2121-N2125 PolarHBondContact O-ND2 3.46Å; N2122-N2125 PolarHBondContact O-N 2.78Å; W2123-N2125 VanDerWaalsContact C-N 3.35Å; W2123-N2125 PolarHBondContact O-N 3.22Å; N2125-P2130 WeakPolarHBondContact O-CD 3.33Å
2126D86.1Confident83.1Confident122 Ų12246.9 Ų46.965%0.65224%0.236SC*.Iπ-helixtrans-89.8-28-172.3-68.2-24.2000113.4N2122N2122-D2126 VanDerWaalsContact O-CB 3.3Å; N2122-D2126 WeakPolarHBondContact O-CB 3.32Å; N2122-D2126 PolarHBondContact O-N 3.48Å
2127V86.3Confident81.2Confident48 Ų4852.9 Ų52.929%0.29126%0.264SS..Iπ-helixtrans-109.3-60.3-174.4-173.40000112.2L2017 W2123 C2131L2017-V2127 HydrophobicContact CD2-CG1 3.86Å; W2123-V2127 HydrophobicContact CD2-CB 4.3Å; W2123-V2127 HydrophobicContact CD2-CG2 4.49Å; W2123-V2127 HydrophobicContact CG-CB 4.44Å; W2123-V2127 HydrophobicContact CG-CG2 4.15Å; W2123-V2127 HydrophobicContact CZ2-CG1 4.27Å; W2123-V2127 WeakPolarHBondContact O-CA 3.37Å; W2123-V2127 VanDerWaalsContact O-CB 3.28Å; W2123-V2127 WeakPolarHBondContact O-CB 3.42Å; W2123-V2127 PolarHBondContact O-N 3.26Å; V2127-C2131 PolarHBondContact O-SG 2.96Å
2128I83.5Confident79.1Confident1 Ų155.8 Ų55.81%0.00528%0.284CS..Iπ-helixtrans-75.7-41.8-174.2-91.2-169.8000112.6L2017 I2018 L2092 L2095 W2123 C2131 L2132L2017-I2128 HydrophobicContact CB-CD1 4.35Å; L2017-I2128 HydrophobicContact CB-CG1 4.28Å; L2017-I2128 HydrophobicContact CD1-CG1 4.02Å; I2018-I2128 HydrophobicContact CG1-CD1 4.24Å; L2092-I2128 HydrophobicContact CD1-CG2 4.18Å; L2095-I2128 HydrophobicContact CD1-CD1 3.58Å; L2095-I2128 HydrophobicContact CD1-CG2 3.86Å; W2123-I2128 HydrophobicContact CH2-CD1 3.5Å; W2123-I2128 HydrophobicContact CH2-CG1 3.72Å; W2123-I2128 HydrophobicContact CZ3-CB 4.36Å; W2123-I2128 HydrophobicContact CZ3-CD1 3.5Å; W2123-I2128 VanDerWaalsContact CZ3-CD1 3.5Å; W2123-I2128 HydrophobicContact CZ3-CG1 3.78Å; I2128-C2131 PolarHBondContact O-N 2.9Å; I2128-C2131 VanDerWaalsContact O-N 3.15Å; I2128-L2132 HydrophobicContact CG2-CD1 3.52Å; I2128-L2132 HydrophobicContact CG2-CG 4.07Å; I2128-L2132 PolarHBondContact O-N 3.12Å
2129T84.6Confident77.2Confident26 Ų2655.7 Ų55.716%0.1628%0.282CS..Hα-helixtrans-59.4-45-176-56.10000112.7L2092 V2124 C2131 L2132 L2133L2092-T2129 WeakPolarHBondContact CD1-OG1 3.25Å; L2092-T2129 HydrophobicContact CD2-CG2 4.38Å; V2124-T2129 WeakPolarHBondContact O-CB 3.2Å; V2124-T2129 PolarHBondContact O-N 3.25Å; V2124-T2129 PolarHBondContact O-OG1 3.09Å; T2129-C2131 VanDerWaalsContact C-N 3.33Å; T2129-C2131 PolarHBondContact O-N 2.99Å; T2129-L2132 PolarHBondContact O-N 2.99Å; T2129-L2133 HydrophobicContact CG2-CD1 3.88Å; T2129-L2133 HydrophobicContact CG2-CG 4.28Å; T2129-L2133 WeakPolarHBondContact O-CB 3.45Å; T2129-L2133 VanDerWaalsContact O-CG 3.26Å; T2129-L2133 WeakPolarHBondContact O-CG 3.19Å; T2129-L2133 PolarHBondContact O-N 3.2Å
2130P79Confident74.7Confident60 Ų6058 Ų5839%0.3930%0.297SS..Hα-helixtrans-67.3-29.8176.5-22.336.1000113.9N2125N2125-P2130 WeakPolarHBondContact O-CD 3.33Å
2131C75.9Confident72.1Confident47 Ų4763.2 Ų63.232%0.31833%0.325SS..Hα-helixtrans-70-49.8174.8-71.50000111.5L2017 V2127 I2128 T2129 L2133 R2134 F2135L2017-C2131 HydrophobicContact CD1-CB 4.34Å; V2127-C2131 PolarHBondContact O-SG 2.96Å; I2128-C2131 PolarHBondContact O-N 2.9Å; I2128-C2131 VanDerWaalsContact O-N 3.15Å; T2129-C2131 VanDerWaalsContact C-N 3.33Å; T2129-C2131 PolarHBondContact O-N 2.99Å; C2131-L2133 PolarHBondContact O-N 3.19Å; C2131-R2134 PolarHBondContact O-N 3.02Å; C2131-F2135 WeakPolarHBondContact O-CD2 3.48Å
2132L77.7Confident69.4Low5 Ų566.7 Ų66.73%0.02635%0.345CS..Hα-helixtrans-68-33.4-179.6-64.4178.8000113.1W2010 P2088 L2091 L2092 I2128 T2129 R2134 F2135 T2136W2010-L2132 HydrophobicContact CE3-CD2 3.98Å; W2010-L2132 HydrophobicContact CZ3-CD2 4.24Å; P2088-L2132 HydrophobicContact CB-CD2 4.03Å; L2091-L2132 HydrophobicContact CB-CD1 4.45Å; L2091-L2132 HydrophobicContact CD2-CD1 3.83Å; L2091-L2132 HydrophobicContact CD2-CD2 3.96Å; L2091-L2132 HydrophobicContact CG-CD1 4.08Å; L2092-L2132 HydrophobicContact CB-CD1 4.06Å; L2092-L2132 HydrophobicContact CD1-CD1 4.47Å; I2128-L2132 HydrophobicContact CG2-CD1 3.52Å; I2128-L2132 HydrophobicContact CG2-CG 4.07Å; I2128-L2132 PolarHBondContact O-N 3.12Å; T2129-L2132 PolarHBondContact O-N 2.99Å; L2132-R2134 VanDerWaalsContact C-N 3.32Å; L2132-R2134 PolarHBondContact O-N 2.84Å; L2132-F2135 PolarHBondContact O-N 2.81Å; L2132-F2135 VanDerWaalsContact O-N 3.16Å; L2132-T2136 PolarHBondContact O-N 2.91Å
2133L69.6Low66.6Low83 Ų8370.3 Ų70.344%0.43537%0.365SS..Hα-helixtrans-59.2-41.2177.4-81.5171000112.4T2129 C2131 F2135 T2136 E2137T2129-L2133 HydrophobicContact CG2-CD1 3.88Å; T2129-L2133 HydrophobicContact CG2-CG 4.28Å; T2129-L2133 WeakPolarHBondContact O-CB 3.45Å; T2129-L2133 VanDerWaalsContact O-CG 3.26Å; T2129-L2133 WeakPolarHBondContact O-CG 3.19Å; T2129-L2133 PolarHBondContact O-N 3.2Å; C2131-L2133 PolarHBondContact O-N 3.19Å; L2133-F2135 VanDerWaalsContact C-N 3.25Å; L2133-F2135 PolarHBondContact O-N 2.9Å; L2133-T2136 WeakPolarHBondContact CA-OG1 3.38Å; L2133-T2136 PolarHBondContact O-N 2.67Å; L2133-T2136 VanDerWaalsContact O-N 3.12Å; L2133-T2136 PolarHBondContact O-OG1 2.93Å; L2133-E2137 WeakPolarHBondContact O-CG 2.95Å; L2133-E2137 PolarHBondContact O-N 2.99Å
2134R65.8Low63.6Low188 Ų18874.7 Ų74.771%0.70940%0.395SS*.Hα-helixtrans-56.4-38.9176.5-70.2176.4179-175.21.8112.7C2131 L2132 S2138C2131-R2134 PolarHBondContact O-N 3.02Å; L2132-R2134 VanDerWaalsContact C-N 3.32Å; L2132-R2134 PolarHBondContact O-N 2.84Å; R2134-S2138 PolarHBondContact O-N 3.26Å
2135F64Low60.4Low44 Ų4479.7 Ų79.719%0.19343%0.43CS..Hα-helixtrans-75.6-37.2177.9-61.1-67.7000111.8W2010 D2013 C2131 L2132 L2133 E2137 S2138 F2139W2010-F2135 HydrophobicContact CB-CB 4.34Å; W2010-F2135 HydrophobicContact CB-CD1 3.65Å; W2010-F2135 HydrophobicContact CB-CD2 3.55Å; W2010-F2135 HydrophobicContact CB-CE1 3.69Å; W2010-F2135 HydrophobicContact CB-CE2 3.6Å; W2010-F2135 HydrophobicContact CB-CG 3.57Å; W2010-F2135 HydrophobicContact CB-CZ 3.66Å; W2010-F2135 HydrophobicContact CG-CG 4.4Å; D2013-F2135 WeakPolarHBondContact OD2-CZ 3.42Å; C2131-F2135 WeakPolarHBondContact O-CD2 3.48Å; L2132-F2135 PolarHBondContact O-N 2.81Å; L2132-F2135 VanDerWaalsContact O-N 3.16Å; L2133-F2135 VanDerWaalsContact C-N 3.25Å; L2133-F2135 PolarHBondContact O-N 2.9Å; F2135-E2137 VanDerWaalsContact C-N 3.32Å; F2135-E2137 PolarHBondContact O-N 3.43Å; F2135-S2138 PolarHBondContact O-N 3.08Å; F2135-S2138 PolarHBondContact O-OG 2.98Å; F2135-F2139 HydrophobicContact CB-CE2 4.3Å; F2135-F2139 WeakPolarHBondContact O-CD2 3.49Å; F2135-F2139 PolarHBondContact O-N 2.73Å
2136T61.3Low57.3Low11 Ų1181.7 Ų81.77%0.06745%0.45CS..Hα-helixtrans-65.9-33.2173.858.10000113.3P2088 R2089 L2132 L2133 S2138 F2139 D2140P2088-T2136 HydrophobicContact CG-CG2 4.15Å; R2089-T2136 HydrophobicContact CG-CG2 3.95Å; L2132-T2136 PolarHBondContact O-N 2.91Å; L2133-T2136 WeakPolarHBondContact CA-OG1 3.38Å; L2133-T2136 PolarHBondContact O-N 2.67Å; L2133-T2136 VanDerWaalsContact O-N 3.12Å; L2133-T2136 PolarHBondContact O-OG1 2.93Å; T2136-S2138 VanDerWaalsContact C-N 3.3Å; T2136-S2138 PolarHBondContact O-N 2.92Å; T2136-F2139 PolarHBondContact O-N 3.43Å; T2136-D2140 PolarHBondContact O-N 3.43Å; T2136-D2140 VanDerWaalsContact O-N 3.09Å
2137E50Low54.4Low127 Ų12781.4 Ų81.459%0.59346%0.457SS*.Hα-helixtrans-68.2-26.8175.3-73.7177.6176.900112.6L2133 F2135 N2141L2133-E2137 WeakPolarHBondContact O-CG 2.95Å; L2133-E2137 PolarHBondContact O-N 2.99Å; F2135-E2137 VanDerWaalsContact C-N 3.32Å; F2135-E2137 PolarHBondContact O-N 3.43Å; E2137-N2141 PolarHBondContact O-ND2 3.24Å
2138S47.1Very low51.5Low63 Ų6386 Ų8644%0.44149%0.485SS..Hα-helixtrans-73.4-35.5168.139.90000113.4R2134 F2135 T2136R2134-S2138 PolarHBondContact O-N 3.26Å; F2135-S2138 PolarHBondContact O-N 3.08Å; F2135-S2138 PolarHBondContact O-OG 2.98Å; T2136-S2138 VanDerWaalsContact C-N 3.3Å; T2136-S2138 PolarHBondContact O-N 2.92Å
2139F48.6Very low48.7Very low57 Ų5795.8 Ų95.825%0.2553%0.527CS..Hα-helixtrans-77.1-38.4-176.4-65.7-55.1000114P2088 F2135 T2136 N2141 D2142P2088-F2139 HydrophobicContact CG-CD2 4.47Å; P2088-F2139 HydrophobicContact CG-CE2 4.24Å; F2135-F2139 HydrophobicContact CB-CE2 4.3Å; F2135-F2139 WeakPolarHBondContact O-CD2 3.49Å; F2135-F2139 PolarHBondContact O-N 2.73Å; T2136-F2139 PolarHBondContact O-N 3.43Å; F2139-N2141 PolarHBondContact O-N 3.18Å; F2139-D2142 PolarHBondContact O-N 3.18Å
2140D40.9Very low45.8Very low93 Ų93103.5 Ų103.550%0.49756%0.564SS.*Hα-helixtrans-694-179.1-66.7-28.8000113.6R2089 T2136R2089-D2140 IonicContact CZ-OD1 3.74Å; R2089-D2140 IonicContact CZ-OD2 3.69Å; R2089-D2140 IonicContact NH1-OD1 2.68Å; R2089-D2140 PolarHBondContact NH1-OD1 2.67Å; R2089-D2140 IonicContact NH2-OD1 3.82Å; R2089-D2140 PolarHBondContact NH2-OD1 3.18Å; R2089-D2140 IonicContact NH2-OD2 3.57Å; R2089-D2140 PolarHBondContact NH2-OD2 2.82Å; T2136-D2140 PolarHBondContact O-N 3.43Å; T2136-D2140 VanDerWaalsContact O-N 3.09Å
2141N38.7Very low43.2Very low109 Ų109110.6 Ų110.658%0.58359%0.589SS**Hα-helixtrans-102.1-31178.8-81.7-73000114.6E2137 F2139 D2143 T2144E2137-N2141 PolarHBondContact O-ND2 3.24Å; F2139-N2141 PolarHBondContact O-N 3.18Å; N2141-D2143 VanDerWaalsContact C-N 3.33Å; N2141-D2143 PolarHBondContact O-N 3.24Å; N2141-T2144 PolarHBondContact O-OG1 3.38Å
2142D36Very low40.7Very low127 Ų127116.5 Ų116.568%0.67962%0.616SS**Hα-helixtrans-71.7-24-173-76.4-24.1000113.3F2139 T2144F2139-D2142 PolarHBondContact O-N 3.18Å; D2142-T2144 PolarHBondContact O-N 3.43Å
2143D31.2Very low38.1Very low157 Ų157125 Ų12584%0.8466%0.656SS**THydrogen-bonded Turntrans-71.56.8-178.8-81.7-22.8000114.8N2141N2141-D2143 VanDerWaalsContact C-N 3.33Å; N2141-D2143 PolarHBondContact O-N 3.24Å
2144T28.3Very low36Very low123 Ų123125.4 Ų125.476%0.75567%0.671SS**THydrogen-bonded Turntrans-109.517.3-173.760.50000115.9N2141 D2142N2141-T2144 PolarHBondContact O-OG1 3.38Å; D2142-T2144 PolarHBondContact O-N 3.43Å
2145S24.7Very low34.2Very low107 Ų107124 Ų12475%0.74868%0.676SS**  trans-128.195170.263.10000112.9
2146S25Very low32.3Very low117 Ų117125.7 Ų125.782%0.81869%0.693SS**  trans-90.2135.817856.10000113.3
2147C23.6Very low30.6Very low117 Ų117132.3 Ų132.379%0.79172%0.723SS**  trans36.4105.3149.8-1690000119.7
2148T26.8Very low29.3Very low145 Ų145134.1 Ų134.189%0.8973%0.731SS**  -164143.2119.513.80000110.5
2149K24.3Very low28.2Very low206 Ų206138.9 Ų138.990%0.89675%0.747SS**  trans-137.178.4-177-171.5-169179-174.20111.4
2150M23.9Very low27Very low187 Ų187142.1 Ų142.192%0.92177%0.765SS**  trans-159.795.3165.2-116179.4-175.600112.6
2151K23.9Very low26.4Very low210 Ų210144.4 Ų144.491%0.91378%0.778SS**  trans-168.3105.7140.7-114176.6-179.5-179.60111.1
2152L23.3Very low25.7Very low170 Ų170145.1 Ų145.189%0.8978%0.777SS**  trans-125.1168.1155.4-95.1167.1000106.9
2153E23.7Very low25.5Very low185 Ų185146 Ų14686%0.86478%0.782SS**  trans74.886.9174.2-54.3-169.3174.100118
2154A25.8Very low25.1Very low91 Ų91147.5 Ų147.575%0.75278%0.776SS**  -151.8113.412400000106.2
2155I27.4Very low24.8Very low157 Ų157151.1 Ų151.181%0.80578%0.777SS**  63.4124.975.5-61.9166.3000111.5
2156S22.9Very low25Very low81 Ų81151.3 Ų151.357%0.56678%0.778SS**  cis-174.5172.7-36.847.20000108
2157H26.6Very low25.2Very low149 Ų149152.4 Ų152.469%0.6977%0.773SS**  trans74.1122.8178.2-51.4-71.5000114.9
2158Q23.6Very low25.5Very low165 Ų165157.3 Ų157.377%0.77178%0.775SS**  74.8136.866.6-66.6171.8-52.200111.9
2159E22.6Very low25.8Very low163 Ų163158 Ų15876%0.76277%0.768SS**  cis-144.9142.434.8-75.4-169.4134.700113.9
2160I24Very low26Very low125 Ų125153.8 Ų153.864%0.64177%0.765SS**  83.914499.9-58172.2000117.1
2161N28.1Very low26.1Very low141 Ų141154.2 Ų154.275%0.75476%0.756SS**  trans91141.1175.3-59.9-54.7000117.3
2162H24.1Very low26.3Very low124 Ų124149.9 Ų149.957%0.57475%0.752SS**  cis-159.4-178.6-31.5-145.5-100.5000109
2163D32.5Very low26.4Very low145 Ų145146.1 Ų146.178%0.77574%0.737SS**  trans68.6106.2175.2-62.6-3.8000116.8
2164R21.8Very low26.3Very low189 Ų189146.6 Ų146.671%0.71373%0.731SS**  cis97.4121.87.6-134.3-168.4-154.4-164.811.1116.1
2165Y23.3Very low26.5Very low200 Ų200148.1 Ų148.178%0.78474%0.736SS**  trans74.6100.8162.1-72.2-67000123.4
2166S27.8Very low26.4Very low110 Ų110142.9 Ų142.977%0.76972%0.721SS**  178.9145119.638.60000110
2167I30Very low26.4Very low140 Ų140146 Ų14672%0.71873%0.731SS**  cis-149.4130.7-8.3-103.1159000107.3
2168R28.7Very low26.1Very low221 Ų221143.9 Ų143.983%0.83473%0.729SS**  trans61.6141.1168.6-64.8164.9-170.9172.61.8116.7
2169Q32.8Very low26.1Very low159 Ų159138.4 Ų138.474%0.74371%0.709SS**  cis-158.2129.53-122.9157.5-3300111.6
2170S28.9Very low26.4Very low118 Ų118136.3 Ų136.383%0.82570%0.703SS**  trans58.9171.8163.931.90000118.4
2171R27.4Very low26.9Very low195 Ų195136.1 Ų136.174%0.73670%0.703SS**  cis-168.6138.7-43.1173.3175.7178.4179.2-3.4108.6T2173R2171-T2173 PolarHBondContact NE-O 2.69Å; R2171-T2173 PolarHBondContact NE-OG1 3.05Å; R2171-T2173 PolarHBondContact NH2-O 2.69Å
2172S27Very low27.2Very low119 Ų119135.7 Ų135.783%0.83270%0.697SS**  trans-126.8114.1152.4178.50000108.6
2173T24.6Very low27.7Very low92 Ų92137.2 Ų137.256%0.56470%0.702SS**  trans174.473.4168.924.60000109.3R2171R2171-T2173 PolarHBondContact NE-O 2.69Å; R2171-T2173 PolarHBondContact NE-OG1 3.05Å; R2171-T2173 PolarHBondContact NH2-O 2.69Å
2174R22.2Very low27.3Very low195 Ų195134.7 Ų134.774%0.73670%0.695SS**  trans-161133.7152-163.4172-170.9-109.77.6105.6T2178R2174-T2178 PolarHBondContact NE-O 3.45Å; R2174-T2178 PolarHBondContact NH2-O 2.95Å
2175S31.2Very low27.4Very low122 Ų122130.7 Ų130.785%0.85370%0.695SS**SBendcis-53.6164.11.455.40000115.1
2176G23.9Very low27.5Very low48 Ų48127.9 Ų127.950%0.49569%0.692SS.*SBendtrans108.499.1-151.700000108.7
2177N22.5Very low27.3Very low145 Ų145129.4 Ų129.478%0.77569%0.69SS**  trans-48.4140.7-173.8-65.7-13.8000112.6S2179N2177-S2179 VanDerWaalsContact CB-N 3.25Å
2178T21.7Very low27Very low105 Ų105128.1 Ų128.164%0.64469%0.685SS**  cis-71.51044650.30000113.7R2174R2174-T2178 PolarHBondContact NE-O 3.45Å; R2174-T2178 PolarHBondContact NH2-O 2.95Å
2179S23.6Very low26.9Very low50 Ų50123.9 Ų123.935%0.3568%0.678SS.*  81.5149.85471.30000110.4N2177N2177-S2179 VanDerWaalsContact CB-N 3.25Å
2180N28Very low26.5Very low119 Ų119119.2 Ų119.264%0.63667%0.673SS**  trans58.1117.3143.6-80.660.4000116.5
2181D34.6Very low26.4Very low122 Ų122119.9 Ų119.965%0.65267%0.673SS**  trans81.4114132.3-49.5-15.4000113.9
2182E34.6Very low26.3Very low132 Ų132116.9 Ų116.962%0.61767%0.67SS**  cis-162.3-166.415.9-123.8171.8-176.100113
2183K34.6Very low26.1Very low156 Ų156116.8 Ų116.868%0.67867%0.665SS**  trans-4.9142.5137.2-49.4152.9-160.8154.90114
2184S24.9Very low26.3Very low92 Ų92119.2 Ų119.264%0.64367%0.674SS**  cis-166150.21.534.70000106.5
2185C24.2Very low26.4Very low105 Ų105114.6 Ų114.671%0.70967%0.672SS**  47.1154.978.1-29.10000114.7
2186I23.9Very low26.7Very low141 Ų141114.7 Ų114.772%0.72367%0.669SS**  trans81123142.9-86.4166.1000116.9
2187I24.5Very low27.1Very low142 Ų142118 Ų11873%0.72868%0.682SS**  trans68.8125.3148.9-70.6178.5000115.4
2188N23.8Very low27.1Very low113 Ų113115.4 Ų115.460%0.60468%0.681SS**  cis-168.4-169.55.3-126.625.8000110.5
2189D26.1Very low27.2Very low131 Ų131115.1 Ų115.170%0.70169%0.689SS**  trans33.2113.9143.5-48.2-31.2000116.7
2190G24.7Very low27.4Very low62 Ų62118.5 Ų118.564%0.63971%0.708SS**  cis75.1167.746.800000110.4
2191T25.6Very low27.2Very low132 Ų132117.1 Ų117.181%0.8171%0.707SS**  trans67.2150.2-172.3800000114.4
2192L26.2Very low26.6Very low131 Ų131116.7 Ų116.769%0.68671%0.714SS**  cis-156.6112.5-17.2-114.7171.3000109
2193T23.8Very low26.2Very low117 Ų117115.6 Ų115.672%0.71872%0.716SS**  trans57.6-163.1144.459.20000118.3
2194L27.3Very low25.6Very low143 Ų143113.7 Ų113.775%0.74972%0.718SS**  trans66.585.6158.7-66.8168.7000118.4
2195S25.3Very low25.7Very low99 Ų99115 Ų11569%0.69272%0.721SS**  89.9120.1117.3-57.40000118.8
2196P38.2Very low25.9Very low124 Ų124121.6 Ų121.681%0.80573%0.732SS**  trans-72.7172148.539.6-36.6000108.8
2197P30.3Very low26Very low118 Ų118120.2 Ų120.277%0.76673%0.73SS**  -152.3165.490.541-23.9000116.4
2198A23.1Very low26Very low90 Ų90118.2 Ų118.274%0.74473%0.729SS**  trans38.4141.2135.400000123.2
2199A24.7Very low26.1Very low99 Ų99118.5 Ų118.582%0.81874%0.739SS**  trans71.7153.2154.300000116
2200T27.1Very low26.2Very low121 Ų121115.8 Ų115.874%0.74274%0.743SS**  cis-125.8152.913.9460000115.1
2201S24.9Very low26.4Very low90 Ų90124 Ų12463%0.62975%0.754SS**  trans-29.5159151.451.20000117.9T2203S2201-T2203 PolarHBondContact O-N 3.02Å
2202S21.3Very low26.6Very low112 Ų112123.3 Ų123.378%0.78375%0.749SS**  trans-37114.5157.153.60000115.8
2203T26.4Very low26.8Very low109 Ų109122.9 Ų122.967%0.66975%0.752SS**  trans-158119.7155.4150000104.8S2201S2201-T2203 PolarHBondContact O-N 3.02Å
2204T22.1Very low26.9Very low117 Ų117128 Ų12872%0.71876%0.758SS**  cis50138.147.174.30000113.8
2205V25.5Very low26.8Very low118 Ų118126.1 Ų126.172%0.71576%0.755SS**  trans67.4106.1-169.6-168.90000112.2T2207V2205-T2207 HydrophobicContact CG1-CG2 3.86Å
2206R29.7Very low27.3Very low245 Ų245127 Ų12793%0.92576%0.758SS**  cis71.755.920-151.5-163.7-165.4-173.18115.4
2207T25.6Very low26.9Very low111 Ų111126 Ų12668%0.68175%0.752SS**  trans-111114.1161.838.50000109.1V2205V2205-T2207 HydrophobicContact CG1-CG2 3.86Å
2208S25.1Very low26.6Very low101 Ų101131.7 Ų131.771%0.70676%0.758SS**  84.8140.260.473.80000112
2209S25Very low26.6Very low118 Ų118130.6 Ų130.683%0.82576%0.755SS**  cis-173.3160.80.833.50000111.7
2210G29.1Very low26.4Very low75 Ų75130.3 Ų130.377%0.77375%0.747SS**  trans107.6136.3164.800000112.4
2211R29.2Very low26.4Very low233 Ų233132.2 Ų132.288%0.87975%0.748SS**  cis-136.6131.56.4-105.1-176.4168.9170-2.9109.3
2212V28.4Very low26.4Very low118 Ų118133.7 Ų133.772%0.71575%0.749SS**  69.6124.8102.3167.70000111.5
2213V30.6Very low26.6Very low122 Ų122135.1 Ų135.174%0.73975%0.747SS**  cis-127.1142.241.1-1550000108.6
2214R26.2Very low26.4Very low225 Ų225136 Ų13685%0.84976%0.756SS**  52.3157.966-89.7-173.8-175.9-169.12.1113.5
2215P25.9Very low26.6Very low104 Ų104135 Ų13568%0.67575%0.754SS**  cis-134.4-174.6-36.837.2-18.4000112.6
2216P35.8Very low26.7Very low116 Ų116133.8 Ų133.875%0.75375%0.75SS**  trans-71.3-176.5154.2-1129.4000110.9
2217P29Very low26.5Very low104 Ų104131.2 Ų131.268%0.67575%0.746SS**  cis-136-170.17.244.4-27.8000114.6
2218R24.5Very low26.5Very low237 Ų237130.6 Ų130.689%0.89475%0.746SS**  trans65.1157.4168.6-58177.6173.9172.6-2.3112.2
2219G21.8Very low26.4Very low67 Ų67133.3 Ų133.369%0.69175%0.748SS**  cis78.4123.433.400000108.4
2220S22.3Very low26.4Very low93 Ų93134.3 Ų134.365%0.6574%0.744SS**  cis-164.6176.22.141.80000106.6
2221Q25.3Very low26.1Very low161 Ų161139.7 Ų139.775%0.75274%0.742SS**  trans70.3148.5166.7-66.8149.6-43.800114
2222D25.4Very low26Very low122 Ų122132.9 Ų132.965%0.65273%0.731SS**  cis-150.1165.6-1.7-131.7-30.7000114
2223L26.7Very low25.9Very low141 Ų141134.2 Ų134.274%0.73873%0.729SS**  trans67.8131.5167-56.7160.1000115.3
2224C22.4Very low25.9Very low127 Ų127135 Ų13586%0.85872%0.722SS**  cis6553.944.9-57.20000114.2
2225S25.8Very low26Very low97 Ų97133.4 Ų133.468%0.67872%0.718SS**  trans-146.3109.2151.156.10000106.7
2226S26.6Very low26Very low92 Ų92133.7 Ų133.764%0.64371%0.713SS**  97.2137.569.570.10000110.5
2227F25.2Very low25.4Very low192 Ų192134.1 Ų134.184%0.84272%0.718SS**  trans55.8165.4130.6-79-109.4000120.1
2228S26.6Very low25.3Very low97 Ų97133.8 Ų133.868%0.67872%0.718SS**  trans57.299.6175.632.90000113.2
2229E23.2Very low25.3Very low158 Ų158127.1 Ų127.174%0.73871%0.708SS**  47.6117.961.9-46.3-179.6129.200111.1
2230D24.5Very low25.3Very low140 Ų140131.5 Ų131.575%0.74971%0.71SS**  34.7172.4116.3-62.1-33.9000120.9
2231Y23.9Very low25.3Very low187 Ų187133.3 Ų133.373%0.73371%0.708SS**  trans70.9147.8178.4-50.3-84.6000112.9
2232S25.3Very low25.4Very low91 Ų91133 Ų13364%0.63670%0.704SS**  cis-141.1159.315.262.80000108.7
2233Q27.6Very low25.4Very low145 Ų145135.6 Ų135.668%0.67871%0.713SS**SBendcis-155155.236.1-73.3179.717.800107.7
2234K30.1Very low25.4Very low138 Ų138134 Ų13460%0.671%0.714SS**SBendcis-166.2151.817.7-111.5150.3-177.8153.70105.8
2235Y29.3Very low25.6Very low193 Ų193134.9 Ų134.976%0.75771%0.705SS**  cis-137.3130.710.6-92.9-81.8000113
2236N25.8Very low25.8Very low109 Ų109135.8 Ų135.858%0.58370%0.699SS**  trans-10.8139.4144.3-61.912.1000120.6
2237C23.1Very low25.7Very low125 Ų125137.4 Ų137.485%0.84569%0.691SS**  trans64.8168.6131.2-55.20000118.5
2238S26.5Very low25.6Very low98 Ų98132.7 Ų132.769%0.68567%0.667SS**  cis-153.115112.956.90000114.1
2239S24.4Very low25.5Very low97 Ų97133.3 Ų133.368%0.67866%0.657SS**  trans33.9127.2140.567.40000122.9
2240E21.4Very low25.6Very low158 Ų158132.2 Ų132.274%0.73865%0.647SS**  75.5145.8125.8-77.9-163-15600125.2
2241Q23Very low25.6Very low131 Ų131130 Ų13061%0.61263%0.634SS**  trans74.1143146.8-79.4-178.453.600121.8
2242K27.4Very low25.7Very low154 Ų154127 Ų12767%0.6763%0.63SS**  trans70.8123.2160.6-71.6149.1-178.1152.60115
2243Q24.6Very low25.8Very low177 Ų177128.1 Ų128.183%0.82764%0.637SS**  52114.893.8-58.5167.8-11.600110
2244S27.8Very low25.7Very low109 Ų109127.2 Ų127.276%0.76265%0.646SS**  cis-149.9174.147.849.90000110.3
2245H26.8Very low25.4Very low145 Ų145123.9 Ų123.967%0.67164%0.64SS**  46.3133.961.1-82.74.7000112.3
2246Q28.3Very low25.5Very low116 Ų116118.3 Ų118.354%0.54263%0.629SS.*  cis-163.8156.44.4-127.4-177.552.600111
2247R24.7Very low25.7Very low126 Ų126114.3 Ų114.348%0.47561%0.613SS.*  trans49.6123138.5-79.7179.7170.7-172.8-4.3121.3H2261R2247-H2261 HydrophobicContact CG-CB 4.25Å; R2247-H2261 PolarHBondContact N-CD2 2.95Å; R2247-H2261 PolarHBondContact N-CE1 2.65Å; R2247-H2261 PolarHBondContact N-ND1 2.7Å; R2247-H2261 PolarHBondContact N-NE2 3.1Å
2248R23.4Very low26.1Very low92 Ų92113 Ų11335%0.34760%0.598SS.*  78.4127.3124-68.6171.5176.9-165-11.1115.7N2259 T2260 H2261R2248-N2259 PolarHBondContact NH1-OD1 3.4Å; R2248-N2259 PolarHBondContact NH2-OD1 2.79Å; R2248-T2260 PolarHBondContact NH2-OG1 3.1Å; R2248-H2261 HydrophobicContact CG-CB 4.21Å
2249K24.9Very low26.3Very low110 Ų110112.5 Ų112.548%0.47859%0.587SS.*  63.8134.567.7-67-156.6-163.4-170.30111.3N2259 T2260K2249-N2259 WeakPolarHBondContact CD-O 3.48Å; K2249-N2259 VanDerWaalsContact CE-O 3.31Å; K2249-N2259 WeakPolarHBondContact CE-O 3.3Å; K2249-N2259 PolarHBondContact NZ-O 3.24Å; K2249-T2260 WeakPolarHBondContact CE-O 3.39Å; K2249-T2260 PolarHBondContact NZ-O 3.11Å
2250R24.1Very low26.6Very low135 Ų135111.2 Ų111.251%0.50958%0.576SS.*  cis-173.5157.114.8-127.8171.7167.3-171-4.3111.5G2257 N2258R2250-G2257 VanDerWaalsContact CD-O 3.25Å; R2250-G2257 WeakPolarHBondContact CD-O 3.1Å; R2250-G2257 PolarHBondContact NH1-O 3.42Å; R2250-N2258 WeakPolarHBondContact CD-O 3.36Å; R2250-N2258 PolarHBondContact NH1-O 2.96Å
2251L25.1Very low26.7Very low94 Ų94107.8 Ų107.849%0.49256%0.559SS.*  trans67.5176.3146.5-73.2158000119.3S2256L2251-S2256 VanDerWaalsContact CD1-O 3.25Å; L2251-S2256 WeakPolarHBondContact CD1-O 3.11Å
2252I25.4Very low26.8Very low125 Ų125105 Ų10564%0.64156%0.555SS**  trans87.1115.2174.9-47.2165.4000112.5
2253S27.5Very low26.8Very low113 Ų113102.8 Ų102.879%0.7955%0.554SS**SBendcis-120.2144.83.1470000113.1
2254C26Very low27Very low127 Ų127100.2 Ų100.286%0.85855%0.545SS*.SBendcis-84.7103.4-13.3-67.10000109.1
2255S24.5Very low27Very low67 Ų67102.5 Ų102.547%0.46954%0.542SS..  79.8124.264.3-169.30000111.5
2256S30.7Very low26.8Very low77 Ų77103.2 Ų103.254%0.53855%0.55SS..  cis-151.9165.51.657.80000112.4L2251L2251-S2256 VanDerWaalsContact CD1-O 3.25Å; L2251-S2256 WeakPolarHBondContact CD1-O 3.11Å
2257G30.4Very low26.6Very low24 Ų24108.2 Ų108.225%0.24757%0.565CS.*  trans92106.6153.200000121R2250R2250-G2257 VanDerWaalsContact CD-O 3.25Å; R2250-G2257 WeakPolarHBondContact CD-O 3.1Å; R2250-G2257 PolarHBondContact NH1-O 3.42Å
2258N31.3Very low26.6Very low98 Ų98106.4 Ų106.452%0.52457%0.572SS.*  59.3169.9127.8-53.4-27.5000122.2R2250R2250-N2258 WeakPolarHBondContact CD-O 3.36Å; R2250-N2258 PolarHBondContact NH1-O 2.96Å
2259N30.9Very low26.7Very low87 Ų87112 Ų11247%0.46559%0.593SS.*  trans58.1128.2166.2-57.4-21.4000119.3R2248 K2249R2248-N2259 PolarHBondContact NH1-OD1 3.4Å; R2248-N2259 PolarHBondContact NH2-OD1 2.79Å; K2249-N2259 WeakPolarHBondContact CD-O 3.48Å; K2249-N2259 VanDerWaalsContact CE-O 3.31Å; K2249-N2259 WeakPolarHBondContact CE-O 3.3Å; K2249-N2259 PolarHBondContact NZ-O 3.24Å
2260T30.3Very low26.7Very low70 Ų70114.4 Ų114.443%0.42961%0.606SS.*  cis-166.9155.7-4.1-59.60000104.5R2248 K2249R2248-T2260 PolarHBondContact NH2-OG1 3.1Å; K2249-T2260 WeakPolarHBondContact CE-O 3.39Å; K2249-T2260 PolarHBondContact NZ-O 3.11Å
2261H24.4Very low26.7Very low86 Ų86112.9 Ų112.940%0.39861%0.611SS.*  cis89103.6-9.5-160.2-69.1000122.6R2247 R2248R2247-H2261 HydrophobicContact CG-CB 4.25Å; R2247-H2261 PolarHBondContact N-CD2 2.95Å; R2247-H2261 PolarHBondContact N-CE1 2.65Å; R2247-H2261 PolarHBondContact N-ND1 2.7Å; R2247-H2261 PolarHBondContact N-NE2 3.1Å; R2248-H2261 HydrophobicContact CG-CB 4.21Å
2262S24.1Very low26.6Very low73 Ų73111.2 Ų111.251%0.5160%0.603SS.*  trans63.9154.9169.164.10000114.9
2263V28.1Very low26.7Very low107 Ų107111.5 Ų111.565%0.64860%0.596SS**  cis-149.6123.645.2172.40000114
2264N27.4Very low26.5Very low123 Ų123114.7 Ų114.766%0.65859%0.591SS**  trans64.6157.4153.3-63.8-13.5000119.4
2265K29.1Very low26.4Very low158 Ų158115 Ų11569%0.68757%0.574SS**  cis-161.3133.2-20.6-109.8166.2-171.3172.60105.5
2266L22.2Very low26.5Very low159 Ų159117.8 Ų117.883%0.83257%0.574SS**  42.393.867.1-83174.4000114.6
2267Y23.5Very low26.3Very low221 Ų221120.4 Ų120.487%0.86757%0.572SS**  trans-153.4153.8130.8-114-72.9000112.1
2268S25.9Very low26.3Very low88 Ų88125 Ų12562%0.61559%0.587SS**  trans-92.4-172.6-176.961.80000112.9
2269R24.4Very low26.2Very low210 Ų210125.9 Ų125.979%0.79260%0.596SS**  trans80.3135.8157.5-79.7177175.5172.9-1.3119.9
2270H24.6Very low26Very low161 Ų161126 Ų12675%0.74560%0.596SS**  trans69.6140.8145.6-66.9-51000122.6
2271T24.7Very low25.7Very low102 Ų102131 Ų13163%0.62662%0.615SS**  trans-56.3149155.451.50000112.3
2272N23.1Very low25.8Very low60 Ų60132.1 Ų132.132%0.32163%0.633SS.*  trans73157.6173.5-38.1-43.9000112.8L1132 N1133L1132-N2272 WeakPolarHBondContact CB-OD1 3.36Å; N1133-N2272 WeakPolarHBondContact CB-OD1 3.28Å; N1133-N2272 VanDerWaalsContact CG-OD1 3.3Å; N1133-N2272 PolarHBondContact ND2-ND2 2.68Å; N1133-N2272 VanDerWaalsContact ND2-ND2 3.12Å
2273R26.8Very low26Very low131 Ų131136.8 Ų136.849%0.49464%0.644SS.*  cis-144.7-156.50.4-142.8166.3-166.4-163.32.4111.1N1130 I1131 L1132 N1133 R1134N1130-R2273 WeakPolarHBondContact CB-O 3.24Å; N1130-R2273 PolarHBondContact ND2-O 2.77Å; I1131-R2273 CarbonylContact O-C 3.49Å; I1131-R2273 VanDerWaalsContact O-CA 3.24Å; I1131-R2273 WeakPolarHBondContact O-CA 3.42Å; L1132-R2273 WeakPolarHBondContact O-CG 3.45Å; L1132-R2273 PolarHBondContact O-NE 3.03Å; N1133-R2273 PolarHBondContact O-NH2 2.83Å; R1134-R2273 PolarHBondContact O-NH2 3.22Å; R1134-R2273 VanDerWaalsContact O-NH2 3.1Å
2274R24.1Very low25.9Very low179 Ų179136.3 Ų136.368%0.67565%0.645SS**  trans-49.4145.2-170.3-90.8172.9-177.4169.51.6112.7N1130 I1131N1130-R2274 WeakPolarHBondContact O-CG 3.4Å; I1131-R2274 WeakPolarHBondContact O-CA 3.34Å; I1131-R2274 PolarHBondContact O-N 2.72Å
2275R24.8Very low25.8Very low135 Ų135137.2 Ų137.251%0.50965%0.648SS.*  56.3119.283-143168-159.3-179.512.4108.8S1128 S1129 N1130S1128-R2275 PolarHBondContact O-NE 2.89Å; S1129-R2275 VanDerWaalsContact O-CB 3.3Å; S1129-R2275 WeakPolarHBondContact O-CB 3.4Å; S1129-R2275 WeakPolarHBondContact O-CD 3.04Å; S1129-R2275 WeakPolarHBondContact O-CG 3.28Å; S1129-R2275 PolarHBondContact O-NE 3.17Å; S1129-R2275 WeakPolarHBondContact OG-CA 3.37Å; N1130-R2275 PolarHBondContact ND2-N 3.38Å
2276R26.2Very low25.6Very low124 Ų124139.5 Ų139.547%0.46865%0.653SS.*  cis-175.3153.320.7-133175.6-178.1179.9-2108.3L1127 S1128L1127-R2276 PolarHBondContact O-NH2 3.39Å; S1128-R2276 VanDerWaalsContact O-CZ 3.27Å; S1128-R2276 PolarHBondContact O-NE 3.48Å; S1128-R2276 PolarHBondContact O-NH2 3.1Å; S1128-R2276 VanDerWaalsContact O-NH2 3.08Å; S1128-R2276 WeakPolarHBondContact OG-CG 3.05Å
2277R27.1Very low25.7Very low132 Ų132139.2 Ų139.250%0.49865%0.649SS.*  trans61.5175.1144.6-71.5165.7-170.2-154-5.9116.6L1127L1127-R2277 PolarHBondContact O-NH2 3.1Å
2278H28.3Very low25.9Very low121 Ų121132.8 Ų132.856%0.5664%0.636SS**  cis-139.8-166.5-5.9-131.81.5000107.7N2280H2278-N2280 PolarHBondContact CE1-OD1 3.12Å; H2278-N2280 PolarHBondContact NE2-OD1 3.08Å
2279T29.4Very low25.8Very low116 Ų116135.6 Ų135.671%0.71265%0.645SS**  cis-165.4157.46.930000105.6
2280N26.6Very low25.8Very low89 Ų89129.3 Ų129.348%0.47663%0.633SS.*  cis-164.2141.8-21.5-131.423.3000109.3H2278H2278-N2280 PolarHBondContact CE1-OD1 3.12Å; H2278-N2280 PolarHBondContact NE2-OD1 3.08Å
2281Q25.2Very low25.9Very low176 Ų176125 Ų12582%0.82262%0.621SS**  trans64.5160.9150.2-64.9163.1-23.500117.5
2282S25.5Very low26Very low110 Ų110126.2 Ų126.277%0.76962%0.619SS**  cis-137.7171.46.960.80000112.1
2283K30Very low26.1Very low171 Ų171127.9 Ų127.974%0.74363%0.628SS**  trans-74.7131.4177.1-68.3-178.6176.9-179.10111.6
2284S24.8Very low26Very low97 Ų97126.1 Ų126.168%0.67863%0.628SS**  trans-166.2148.2150.265.30000114.3
2285I25.9Very low25.9Very low141 Ų141121.8 Ų121.872%0.72363%0.625SS**  trans70.1115.6132.5-75.2170.2000120.9
2286R24.4Very low25.9Very low207 Ų207121.7 Ų121.778%0.78164%0.635SS**  trans75.8138.1135.7-86.1-175.5-179.2160.5-2.4123.6
2287M24.7Very low25.9Very low153 Ų153121 Ų12175%0.75464%0.644SS**  trans69.5146.8136.6-61.2-72.3-178.100117.7
2288S27.3Very low25.9Very low86 Ų86118 Ų11860%0.60164%0.644SS**  cis-170.9159.5-9.6450000110.7
2289N24.4Very low25.6Very low147 Ų147119.2 Ų119.279%0.78665%0.648SS**  trans26.5145.4133.6-5132.7000119.9
2290S24.7Very low25.5Very low78 Ų78119.4 Ų119.455%0.54564%0.644SS.*  cis-178.6-161.7-9.555.80000106.5
2291S26.7Very low25.6Very low70 Ų70123.8 Ų123.849%0.4965%0.654SS.*  cis-177.5140.95.723.60000108.2Q1081Q1081-S2291 CarbonylContact O-C 2.93Å; Q1081-S2291 VanDerWaalsContact O-C 3.22Å; Q1081-S2291 VanDerWaalsContact O-O 3.1Å
2292E25.9Very low25.7Very low127 Ų127125.5 Ų125.559%0.59365%0.653SS**  cis-168-124.5-7-15386.3-156.200109.6Q1081Q1081-E2292 PolarHBondContact N-O 3.16Å
2293D24.4Very low25.6Very low96 Ų96124.7 Ų124.751%0.51365%0.647SS.*  trans16.4142143.4-60.8-20000122.3D1079 D1080D1079-D2293 CarbonylContact C-O 3.57Å; D1080-D2293 PolarHBondContact N-O 3.3Å
2294L24.7Very low25.7Very low94 Ų94121 Ų12149%0.49265%0.648SS.*  cis-154.4141.2-6.5-100.2161.1000105.6
2295S23.6Very low25.9Very low88 Ų88123.1 Ų123.162%0.61564%0.641SS**  -174.9178.255.161.30000112.9
2296N24.6Very low26.1Very low133 Ų133122.5 Ų122.571%0.71163%0.633SS**  trans73.288155.6-74.9-54.4000123.1
2297T26Very low26.2Very low109 Ų109118 Ų11867%0.66962%0.616SS**  80.178.312764.90000123.3
2298S25.8Very low26.2Very low70 Ų70118.1 Ų118.149%0.4961%0.613SS.*  93.4132107.877.80000123.9R1218R1218-S2298 PolarHBondContact NH1-OG 2.88Å
2299F23.9Very low26.2Very low146 Ų146120.3 Ų120.364%0.6462%0.616SS**  trans78.7132.6143.1-81.2-143.1000119R1218R1218-F2299 VanDerWaalsContact NH2-CZ 3.3Å
2300L25.8Very low26.2Very low120 Ų120118.1 Ų118.163%0.62861%0.608SS**  cis-167.1155.7-8.3-125.6-168.9000113.2
2301R28.6Very low26.5Very low181 Ų181118.9 Ų118.968%0.68361%0.611SS**  trans79.6106.2153.7-69.2-166.4177-176.4-0.7122
2302R28Very low26.3Very low212 Ų212119.9 Ų119.980%0.862%0.618SS**  50.2127101.1-69.3-178.8179.8173.1-0.8119.5S1088S1088-R2302 VanDerWaalsContact OG-C 3.28Å
2303S22.6Very low26.1Very low92 Ų92120.2 Ų120.264%0.64362%0.618SS**  trans-91176.4135.869.30000110.2S1088S1088-S2303 WeakPolarHBondContact OG-CB 3.45Å; S1088-S2303 PolarHBondContact OG-N 3.32Å
2304A33.8Very low26Very low93 Ų93119.5 Ų119.577%0.76962%0.62SS**  trans-141.2161-169.200000113.1
2305R27.9Very low26Very low143 Ų143117.2 Ų117.254%0.5461%0.607SS.*  trans-145.7151.1168.5-88.9159.9174.5-145.6-8.2110.5N1122 D1123N1122-R2305 VanDerWaalsContact ND2-CZ 3.32Å; N1122-R2305 PolarHBondContact ND2-NE 2.79Å; D1123-R2305 IonicContact OD1-NH2 2.77Å; D1123-R2305 PolarHBondContact OD1-NH2 3.5Å; D1123-R2305 IonicContact OD2-CZ 3.38Å; D1123-R2305 IonicContact OD2-NH1 3.52Å; D1123-R2305 PolarHBondContact OD2-NH1 3.19Å; D1123-R2305 IonicContact OD2-NH2 3.57Å; D1123-R2305 PolarHBondContact OD2-NH2 3.49Å
2306K30Very low26.1Very low128 Ų128120.5 Ų120.556%0.55761%0.611SS**  cis158.8135-39.5172.2178-170.9174.60109.6L1119 A1120 S1121L1119-K2306 VanDerWaalsContact C-C 3.45Å; L1119-K2306 CarbonylContact C-O 3.48Å; L1119-K2306 PolarHBondContact O-N 3.33Å; A1120-K2306 CarbonylContact C-O 3.59Å; A1120-K2306 WeakPolarHBondContact CA-O 3.32Å; A1120-K2306 PolarHBondContact N-O 3.36Å; S1121-K2306 WeakPolarHBondContact CB-O 3.3Å; S1121-K2306 PolarHBondContact N-O 2.94Å; S1121-K2306 PolarHBondContact OG-O 3.24Å
2307R26.9Very low26.1Very low111 Ų111122.7 Ų122.742%0.41961%0.61SS.*  trans116.2103.8166.3-67.1-176.8-169.9165.1-2.2119.8L1119 A1120 S1121 N1122L1119-R2307 WeakPolarHBondContact CA-O 3.31Å; A1120-R2307 PolarHBondContact N-O 2.92Å; A1120-R2307 WeakPolarHBondContact O-CB 3.44Å; A1120-R2307 WeakPolarHBondContact O-CD 3.17Å; S1121-R2307 VanDerWaalsContact CB-CD 3.44Å; S1121-R2307 VanDerWaalsContact CB-NE 3.26Å; N1122-R2307 VanDerWaalsContact CA-NH2 3.3Å; N1122-R2307 PolarHBondContact O-NH1 2.76Å; N1122-R2307 PolarHBondContact O-NH2 2.85Å; N1122-R2307 VanDerWaalsContact O-NH2 3.09Å; N1122-R2307 PolarHBondContact OD1-NH2 3.28Å
2308K25.6Very low26Very low157 Ų157120.7 Ų120.768%0.68361%0.611SS**  trans69.1162.6143.8-53.2179.7-180-173.80116.3D1117 V1118D1117-K2308 CarbonylContact C-O 2.95Å; D1117-K2308 CarbonylContact O-C 3.58Å; V1118-K2308 CarbonylContact C-O 3.57Å; V1118-K2308 VanDerWaalsContact CA-O 3.25Å; V1118-K2308 WeakPolarHBondContact CA-O 3.43Å; V1118-K2308 PolarHBondContact N-O 2.85Å
2309I27.1Very low26Very low132 Ų132122.4 Ų122.468%0.67762%0.623SS**  cis-121.6-179.812.8-67169.3000110.4D1117D1117-I2309 PolarHBondContact O-N 2.87Å
2310V22.8Very low26Very low101 Ų101124.9 Ų124.961%0.61264%0.637SS**  trans-165.7150.3164.679.80000107.8
2311P30.7Very low26Very low94 Ų94122.5 Ų122.561%0.6164%0.641SS**  -160.9151.4101.241.7-21.3000119.9N1114N1114-P2311 CarbonylContact O-C 3.05Å
2312S23.2Very low25.8Very low91 Ų91121 Ų12164%0.63665%0.647SS**  trans61.4103.913865.90000125.2V1113 N1114V1113-S2312 CarbonylContact O-C 3.39Å; N1114-S2312 CarbonylContact O-C 3.59Å; N1114-S2312 PolarHBondContact O-N 3.06Å
2313F21.8Very low25.6Very low134 Ų134118 Ų11859%0.58865%0.647SS**  12.4118.4128.5-82.2-155.4000122.9R1111 Q1112 V1113 N1114R1111-F2313 WeakPolarHBondContact O-CD1 3.25Å; Q1112-F2313 VanDerWaalsContact C-CA 3.48Å; Q1112-F2313 VanDerWaalsContact CA-CD1 3.48Å; Q1112-F2313 HydrophobicContact CB-CD1 3.93Å; Q1112-F2313 HydrophobicContact CB-CD2 4.29Å; Q1112-F2313 HydrophobicContact CB-CE1 3.69Å; Q1112-F2313 HydrophobicContact CB-CE2 4.09Å; Q1112-F2313 HydrophobicContact CB-CG 4.17Å; Q1112-F2313 HydrophobicContact CB-CZ 3.76Å; V1113-F2313 WeakPolarHBondContact O-CA 3.15Å; V1113-F2313 PolarHBondContact O-N 3.03Å; N1114-F2313 PolarHBondContact O-N 2.77Å
2314S23.1Very low25.8Very low80 Ų80122.7 Ų122.756%0.55966%0.659SS**  trans-158.632.3159.2-138.60000127R1111 Q1112R1111-S2314 VanDerWaalsContact CB-CA 3.47Å; R1111-S2314 WeakPolarHBondContact CD-O 3.48Å; R1111-S2314 VanDerWaalsContact CD-OG 3.23Å; R1111-S2314 WeakPolarHBondContact CD-OG 3.39Å; Q1112-S2314 CarbonylContact O-C 3.57Å; Q1112-S2314 WeakPolarHBondContact O-CA 3.25Å; Q1112-S2314 PolarHBondContact O-N 3.33Å
2315Q24.2Very low25.2Very low46 Ų46127.8 Ų127.822%0.21566%0.664CS.*  trans40.2146.2149.9-165173.1100.800125.6R1111 Q1112R1111-Q2315 HydrophobicContact CB-CB 3.4Å; R1111-Q2315 VanDerWaalsContact CB-CB 3.4Å; R1111-Q2315 HydrophobicContact CB-CG 4.5Å; R1111-Q2315 HydrophobicContact CG-CB 3.69Å; R1111-Q2315 PolarHBondContact NH1-O 3.25Å; Q1112-Q2315 PolarHBondContact O-N 2.73Å
2316F25.6Very low25.4Very low158 Ų158130.5 Ų130.569%0.69369%0.689SS**  trans-152.2-164.1134.9-122.5-53.8000113.4
2317Y24.9Very low25.2Very low178 Ų178130.7 Ų130.770%0.69870%0.696SS**  trans-105.3160.4-175.1-84.3-85.9000112R1110R1110-Y2317 PolarHBondContact NH1-OH 3.37Å; R1110-Y2317 PolarHBondContact NH2-OH 3.18Å; R1110-Y2317 VanDerWaalsContact NH2-OH 3.12Å
2318G23.8Very low25.1Very low68 Ų68131.7 Ų131.770%0.70171%0.71SS**  trans163.1110.1153.700000116.2
2319S25.8Very low25.1Very low106 Ų106130.3 Ų130.374%0.74171%0.712SS**  trans14.4123.3154.354.60000122.1
2320E23.6Very low25Very low198 Ų198130.2 Ų130.293%0.92571%0.714SS**  55119.6126.6-64.8166.5-168.800120.8
2321G27.1Very low25.1Very low70 Ų70132 Ų13272%0.72272%0.72SS**  trans151.896.8165.600000112.4
2322N23.9Very low24.8Very low150 Ų150134.5 Ų134.580%0.80273%0.728SS**  trans33.1110.6163.7-54.3-5.3000118.6
2323D23.5Very low24.9Very low149 Ų149137.6 Ų137.680%0.79773%0.734SS**  179.3164113.2-87.9-19.1000111.9
2324E25.6Very low25.1Very low190 Ų190137.9 Ų137.989%0.88875%0.745SS**  trans21.5167.2154.4-58.1-168.6124.300124.4
2325F22.5Very low25.3Very low199 Ų199142.8 Ų142.887%0.87376%0.761SS**  trans-65.3140.2176.4-88.2-113.4000114.1
2326D32.7Very low25.4Very low201 Ų201151.5 Ų151.5100%1.07581%0.81SS**  -169.50114.2-112.3-21.7000115.8K455K455-D2326 PolarHBondContact NZ-OXT 2.66Å; K455-D2326 VanDerWaalsContact NZ-OXT 3.13Å

Retrieved 2,326 of 2,326 residues in 2870.8 ms (Link to these results)

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