A0A3Q0KMS3_SCHMA Loading...

Piezo-type mechanosensitive ion channel component AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KMS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,300 aa.

>A0A3Q0KMS3_SCHMA|A0A3Q0KMS3
MIPGVIDLIFLRFVIPFVLFIVTVVRYNGFSFTYLLFLLACPLLARPKCPRSTTKVQVYLILLITLSCIFTLSHPTLHIVLTVAPPYENALRTCEEASIAAQIGVQRLEGMLPYRAMRLVLPDIFILSVAVASLVYFSRRRRVPSALLSSTNALSAVENSIVSHNSDESEHNPKPSVAKNKQLDRTYFNFTRLWNENQKRLWRAWAMDSLRMLITVLLVCFAGITSPSLPSCVYLLSFLSICTYWACRNKVSSTPFASLRIFLLVYSGLHVCLYYLYQFPFFQAFCKDGSFLARLLGLYHIMHTSCKKPGEIIFPSSFRVVDCLAPPITMLLYYVLVLETRRWLDSHFSVSSQPLFRNNIKDSTFQSEVPPNCHDENVGVVNNIPTTRESVSRENLLNPAVTFSDSCSSTNLTTTVSALPTDCGNENITCKDQSYADINNSELHPDQNLAQKCSPSKQCTTMDQKEESLSLGISHIRGEVSTDCTSHVPKSLSHQVTVLHLEPENNSNEQFLSPPVEPHFDALFGLTPPFATYMYGWSGNNVTTERPFLLSLHYSAIKNSYILTLIAMMAWAVVYRSWLSFILLLSACILWIVPKSRAACLYSSPLIVLYAIVLILIQYIYGLNLNSDELPQAVTPDGIQLSELGMQRSDHCVGALALQIGFLICFWLTLRLFVMERAAKRLSAHHQRVVLKSEELQTSSGSTPLPRFQKSLPTILKFRRRSNKEDGNNILLTPFLNMADDFQTHTSYNAAIYGPAASFGTVDNNIYRRFTEFMHSLCVKYWIVVCCLSMLLVSVQQPVVVFRIVYMVMLIYFMLIFQISYTIWRRQMLCFWWVIVVYSMAMLLCIYTFQFNESPSFWQKKLHLSPEILKAFGLETFESAALFERLLTPVVFLVVIILQVHYFHIPFLKASSLNRFQLPQVSRGSVNSRSGIFDDRNSNTSISQSSNMSNFIEDVNSAFQIVVSKLYCWADSLTNHCWRFFEIHWIKLVGLVIIVTCTNEVSATNIVSLIFLVICFPFPYLHGFMTTFVFIWTSVQILCKMTFQLSAVNWNISSSSCVKLHNSTTLDPTDWLGFKKVDNFRQYIMPYGALLVVTVVWHAIAYRQRQFYNNDKITRPGEGIIFPGVTINSMGYDLLNVVKFAFNYGFYKFGLELCHCTTVVTTCARVDAFSVLYLLLMLVFLFSPRRVCARLWPSYMVILAVLIPIQYASCVGLPPGLCLSYPWYTESIEINNLLQWLYLPSDFGAPSAYKLTADFFQFAAVALQFRVFKIEQRPDSERYDGGSNRPILTNELPNEEDRDFVSTKESYLDYMRHLIFYWSYWVSLAVVLVTGVVWITLFCLGYMILSFIYLWMGLNVLLRERPNLINSWNVIIGYNFCVILAKCSLQLMGCVYRSRMANQCWLIQLFGVQCMNPLSWNHFNLPPGHETSCATVSSGLHWDIVCFIFIIFQRKVFTSHSFSHVLLDLQVQSRFASRGAYLINRKLMLAIHEQAMEEQYNLAKVQQKLNLIQQRQEAFGRSNANITEHYIMLRSGDYYLFEGDPEEDDDFVNRQTHITGNDSDHSDKDNSSPPTPALRLRESKHNLRLQKTVISEEIDKQATISNNHTKSQVTLVPNGKNYLRDIWPSIDPNILDVLSNYNDPYSTISFSDELRRVRPTSHSRSALDSDRYYEHPKYFEMHQDRPHSGFVLGHRRMRSHPEFLRQHFSGNEKSSVVSIESDEPKASDSKNLALHPSQTSSDKFAHRFTERRDQNPLTLHHRPYETHRRLFSASGAIFPTKDRPSSPEKSTVVKSTVRSHRRTPKSSLSKPSPPKAHGTSHVEYPIIANKITEGNNSREGNSEKVFTVTDSSEIVESRFTGTHPHNIITKAPQSESQHTNDQKNFSYSYFDDGQEADKDSDEDDDANPPLTANSRLNPIQLLNRAMELGALSTVKQYRRNLYAHSHDGTRQREQTDNITCNISTGSQEGSSADQMTQPSSNRHQISTDSFHIHPPKNTNYSNQTKERRRNGRFPSKFSIKKLSVPDIHSGSRQQPEVHFSDRLCKKYYSPLTEKDVNVSEYCCFDPDNNYFEQTIKNKANLYSVHPLNSSFTGNNDVVDAKVINKERNKCLLNGKSEFNNMMNVNTGRKSHFNPSTSKQTEDTKLNTILLNQSNNHTPSYAIMDKQSAEDNQITVFEKPIKTSHSSSRPFDDNNGSSDINDNDKLRKDSVHQHAEGCWSKFKASCLIAYMFFLSSVDSLIRFLNGLTRQYRRIRRTIDQEKRLVKRRVISYLPSTNEQLRAHLESAALEIISTTPERQLSLFNPQLIERNIQNNEKRSNDTMNPYLIRDNSLDDLDNNTPVTDLQDHEREKAFRQSRSYGFLLLIAVGNLAIVYSELFCYFLLIFNHMHSASLLSLPYPLMVLLWGMLSVPRPTKTFWIFLITYTEIVIVIKYIFQFKFFHFNDAILRPTESAEPLWLPRIIGINKNDDYAVFDLVQLISLFLHRGYLKNNGLWRDDTEFTHDLELIVQENKAAQLSCSKQGTSSRQLASSGVCLNKSKTDLGKDDGLFTGGCNMFVQLYPQTSHYPSTASGGGGGKTWNPLVKLKRFYLKMTDPRYNKKVDVYIYMFLCEFIAFWIMIFGYVSFGPSTGMGDNAFEFLKSNRVPLPFISMLLVQFIFIITDRGLFLQKQVLGKFIFQIIHVVLIHGWLFFILPHITRSPFTSGLAPQLLYLIKCVYFSLSAYQIRSGYPRRILGNFLTKNYNYINLVLFKGYLLVPFLYELRNVMDWMWTSSALSLYHWMELEDVYSKIFILKCWRRSELAYPTPRGQNRDTSKKALTGGLLLLFFFICFWGPMALTSFIGATFDVNPPVLCTFSFSFGGFPPTFEFTSREGNIFTVNSSELNNFIRCHEKDKQTFGFLHNFEWNDLRYVTIDGFSGNIWAITPPSYQALLMKLRSPESDLLLHFHMKCRRSTKEIQSSHTSVEDIFSRKLSPSEKLQLLMVLNSTNFTFPISDSNRNSLYRTSIMNNNNNSNSMLTRSYQSQIDSVTLNSVLPRYVLLKKDKLRGAYAFLGDPQTYVNVSFHIHQDLISHQTWWELKEKINSSPSSDPCFEVIRHPTLSNNAVEANVLSVLTFNERVSDSLFGKVFNNYGIIGMYAAYIFLASRLLRTAYSNISYVIRLEELPHVDRILNLCHEIYLVRENNLLLLEEQLVAKLFFLYRSSETMIKWTRHPKHIVERFTSKPTSTTTLSQEPPNSAPTTSHPPSSSGTMHPSINQEFRNINNGTNSKPPVHFRRVRNSVDDGNHRLPPPTTTTLLPSSSQYQ

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

 

Download 11 Fragment Structures   AlphaSync Parameters   PDBs   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.8Very low69.9Low217 Ų21773.1 Ų73.1100%1.06940%0.403SS*.  0-60.90-118.5176.6-179.400112.8P3 G4M1-P3 VanDerWaalsContact O-N 3.15Å; M1-G4 PolarHBondContact O-N 2.97Å; M1-G4 VanDerWaalsContact O-N 3.09Å
2I61.4Low70.6Confident126 Ų12670.9 Ų70.965%0.64638%0.384SS*.Hα-helixtrans-32.5-58.2-174.4-56170.6000115.9G4 V5 I6I2-G4 VanDerWaalsContact C-N 3.28Å; I2-G4 PolarHBondContact O-N 3.21Å; I2-G4 VanDerWaalsContact O-N 3.16Å; I2-V5 WeakPolarHBondContact O-CA 3.19Å; I2-V5 WeakPolarHBondContact O-CB 3.32Å; I2-V5 PolarHBondContact O-N 2.54Å; I2-I6 HydrophobicContact CG2-CD1 3.86Å; I2-I6 HydrophobicContact CG2-CG1 4.35Å; I2-I6 PolarHBondContact O-N 2.99Å; I2-I6 VanDerWaalsContact O-N 3.15Å
3P60.6Low71.5Confident65 Ų6576.6 Ų76.642%0.42240%0.403SS..Hα-helixtrans-56.6-35-175.317-31.3000114.7M1 V5 I6 D7 R140M1-P3 VanDerWaalsContact O-N 3.15Å; P3-V5 VanDerWaalsContact C-N 3.28Å; P3-V5 PolarHBondContact O-N 3.09Å; P3-I6 PolarHBondContact O-N 3.36Å; P3-D7 VanDerWaalsContact O-CG 3.24Å; P3-D7 PolarHBondContact O-N 3.28Å; P3-D7 VanDerWaalsContact O-N 3.11Å; P3-D7 VanDerWaalsContact O-OD2 3.11Å; P3-R140 VanDerWaalsContact CB-NH1 3.31Å; P3-R140 PolarHBondContact O-NH1 3.31Å
4G66.9Low72.5Confident44 Ų4474.2 Ų74.245%0.45439%0.393SS..Hα-helixtrans-73.1-18.7177.300000114.1M1 I2M1-G4 PolarHBondContact O-N 2.97Å; M1-G4 VanDerWaalsContact O-N 3.09Å; I2-G4 VanDerWaalsContact C-N 3.28Å; I2-G4 PolarHBondContact O-N 3.21Å; I2-G4 VanDerWaalsContact O-N 3.16Å
5V71.3Confident73.5Confident77 Ų7769.5 Ų69.547%0.46737%0.368SS..Hα-helixtrans-80.2-40.2171.1-175.30000109.8I2 P3 D7 L8 I9I2-V5 WeakPolarHBondContact O-CA 3.19Å; I2-V5 WeakPolarHBondContact O-CB 3.32Å; I2-V5 PolarHBondContact O-N 2.54Å; P3-V5 VanDerWaalsContact C-N 3.28Å; P3-V5 PolarHBondContact O-N 3.09Å; V5-D7 PolarHBondContact O-N 2.67Å; V5-L8 WeakPolarHBondContact O-CB 3.3Å; V5-L8 PolarHBondContact O-N 3.29Å; V5-L8 VanDerWaalsContact O-N 3.11Å; V5-I9 HydrophobicContact CG1-CD1 4.01Å; V5-I9 HydrophobicContact CG1-CG1 4.5Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 2.77Å
6I76.2Confident74.3Confident59 Ų5965.8 Ų65.830%0.30335%0.349SS..Hα-helixtrans-60.6-44.3176.3-62.9174.1000110.8I2 P3 L8 I9 F10 Y136I2-I6 HydrophobicContact CG2-CD1 3.86Å; I2-I6 HydrophobicContact CG2-CG1 4.35Å; I2-I6 PolarHBondContact O-N 2.99Å; I2-I6 VanDerWaalsContact O-N 3.15Å; P3-I6 PolarHBondContact O-N 3.36Å; I6-L8 PolarHBondContact O-N 3.13Å; I6-I9 PolarHBondContact O-N 3.25Å; I6-I9 VanDerWaalsContact O-N 3.16Å; I6-F10 HydrophobicContact CG2-CD2 3.67Å; I6-F10 HydrophobicContact CG2-CE2 3.68Å; I6-F10 WeakPolarHBondContact O-CD2 3.39Å; I6-F10 PolarHBondContact O-N 2.94Å; I6-Y136 HydrophobicContact CG2-CE1 4.45Å; I6-Y136 HydrophobicContact CG2-CE2 3.98Å; I6-Y136 WeakPolarHBondContact CG2-OH 3.41Å
7D74.7Confident75.1Confident11 Ų1169.7 Ų69.76%0.05936%0.363CS..Hα-helixtrans-59.8-37174.7-56.1-34.6000112.7P3 V5 L11 P47 Y136 F137 R140P3-D7 VanDerWaalsContact O-CG 3.24Å; P3-D7 PolarHBondContact O-N 3.28Å; P3-D7 VanDerWaalsContact O-N 3.11Å; P3-D7 VanDerWaalsContact O-OD2 3.11Å; V5-D7 PolarHBondContact O-N 2.67Å; D7-L11 WeakPolarHBondContact O-CB 3.39Å; D7-L11 PolarHBondContact O-N 2.86Å; D7-P47 HydrophobicContact CB-CG 4.18Å; D7-Y136 WeakPolarHBondContact OD1-CE1 3.46Å; D7-Y136 PolarHBondContact OD1-OH 3.32Å; D7-F137 HydrophobicContact CB-CE1 4.36Å; D7-R140 IonicContact OD1-CZ 2.78Å; D7-R140 IonicContact OD1-NH1 3.04Å; D7-R140 PolarHBondContact OD1-NH1 3.01Å; D7-R140 IonicContact OD1-NH2 3.78Å; D7-R140 IonicContact OD2-CZ 3.29Å; D7-R140 IonicContact OD2-NH1 3.61Å; D7-R140 PolarHBondContact OD2-NH1 2.92Å; D7-R140 IonicContact OD2-NH2 3.03Å; D7-R140 PolarHBondContact OD2-NH2 3.48Å
8L72.9Confident75.9Confident58 Ų5866.4 Ų66.430%0.30435%0.346SS..Hα-helixtrans-68.6-42.1177.8-167.173.4000110.5V5 I6 R12V5-L8 WeakPolarHBondContact O-CB 3.3Å; V5-L8 PolarHBondContact O-N 3.29Å; V5-L8 VanDerWaalsContact O-N 3.11Å; I6-L8 PolarHBondContact O-N 3.13Å; L8-R12 HydrophobicContact CD1-CG 3.65Å; L8-R12 HydrophobicContact CG-CG 4.15Å; L8-R12 WeakPolarHBondContact O-CA 3.4Å; L8-R12 WeakPolarHBondContact O-CB 3.19Å; L8-R12 WeakPolarHBondContact O-CG 3.24Å; L8-R12 PolarHBondContact O-N 3.46Å
9I79.3Confident76.7Confident79 Ų7963.1 Ų63.141%0.40533%0.329SS..Hα-helixtrans-62.4-51.6176.9-69.5165.6000110.4V5 I6 F13 V14V5-I9 HydrophobicContact CG1-CD1 4.01Å; V5-I9 HydrophobicContact CG1-CG1 4.5Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 2.77Å; I6-I9 PolarHBondContact O-N 3.25Å; I6-I9 VanDerWaalsContact O-N 3.16Å; I9-F13 CarbonylContact O-C 3.33Å; I9-F13 WeakPolarHBondContact O-CA 3.47Å; I9-F13 WeakPolarHBondContact O-CB 3.14Å; I9-F13 PolarHBondContact O-N 2.95Å; I9-V14 HydrophobicContact CG2-CG2 3.97Å; I9-V14 PolarHBondContact O-N 3.07Å
10F80.5Confident77.3Confident63 Ų6363.9 Ų63.928%0.27633%0.33SS..Iπ-helixtrans-62.5-47.8179.8-83-76.7000112.8I6 V14 I15 Y136I6-F10 HydrophobicContact CG2-CD2 3.67Å; I6-F10 HydrophobicContact CG2-CE2 3.68Å; I6-F10 WeakPolarHBondContact O-CD2 3.39Å; I6-F10 PolarHBondContact O-N 2.94Å; F10-V14 HydrophobicContact CD1-CB 4.08Å; F10-V14 HydrophobicContact CD1-CG1 4.23Å; F10-V14 HydrophobicContact CD1-CG2 4.08Å; F10-V14 HydrophobicContact CE1-CG1 4.46Å; F10-V14 HydrophobicContact CE1-CG2 4.44Å; F10-I15 WeakPolarHBondContact O-CG1 3.36Å; F10-I15 PolarHBondContact O-N 3.17Å; F10-Y136 HydrophobicContact CD2-CE1 4.46Å
11L78.8Confident77.8Confident5 Ų563.8 Ų63.83%0.02633%0.329CS..Iπ-helixtrans-83.4-18-173-156.478.6000114.5D7 I15 L44 V56D7-L11 WeakPolarHBondContact O-CB 3.39Å; D7-L11 PolarHBondContact O-N 2.86Å; L11-I15 HydrophobicContact CD1-CD1 4.44Å; L11-L44 HydrophobicContact CD1-CD1 4.36Å; L11-L44 HydrophobicContact CD2-CB 4.33Å; L11-V56 HydrophobicContact CD1-CG1 3.74Å; L11-V56 HydrophobicContact CD1-CG2 4.31Å; L11-V56 HydrophobicContact CD2-CG2 4.13Å
12R78.4Confident79.8Confident47 Ų4753.5 Ų53.518%0.17728%0.279CS..Iπ-helixtrans-113.9-22.6-179.7-57.8-59.8-153157.83.4115L8 P42L8-R12 HydrophobicContact CD1-CG 3.65Å; L8-R12 HydrophobicContact CG-CG 4.15Å; L8-R12 WeakPolarHBondContact O-CA 3.4Å; L8-R12 WeakPolarHBondContact O-CB 3.19Å; L8-R12 WeakPolarHBondContact O-CG 3.24Å; L8-R12 PolarHBondContact O-N 3.46Å; R12-P42 PolarHBondContact NH1-O 3.36Å
13F82.4Confident81Confident145 Ų14547.8 Ų47.864%0.63625%0.249SC*.Iπ-helixtrans-115.6-62.8178.4-71.5-87.4000111.3I9 I15 F17I9-F13 CarbonylContact O-C 3.33Å; I9-F13 WeakPolarHBondContact O-CA 3.47Å; I9-F13 WeakPolarHBondContact O-CB 3.14Å; I9-F13 PolarHBondContact O-N 2.95Å; F13-I15 PolarHBondContact O-N 3.16Å; F13-F17 WeakPolarHBondContact O-CB 3.3Å; F13-F17 PolarHBondContact O-N 3.03Å
14V86.3Confident82.1Confident43 Ų4348.1 Ų48.126%0.26125%0.25SS..Iπ-helixtrans-60.5-54.8-169.3-175.20000112.5I9 F10 F17 V18 V129I9-V14 HydrophobicContact CG2-CG2 3.97Å; I9-V14 PolarHBondContact O-N 3.07Å; F10-V14 HydrophobicContact CD1-CB 4.08Å; F10-V14 HydrophobicContact CD1-CG1 4.23Å; F10-V14 HydrophobicContact CD1-CG2 4.08Å; F10-V14 HydrophobicContact CE1-CG1 4.46Å; F10-V14 HydrophobicContact CE1-CG2 4.44Å; V14-F17 PolarHBondContact O-N 3.45Å; V14-V18 HydrophobicContact CG1-CG2 4.47Å; V14-V18 WeakPolarHBondContact O-CB 3.38Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 3.16Å; V14-V129 HydrophobicContact CG1-CG1 4.16Å
15I86.9Confident82.9Confident4 Ų448.6 Ų48.62%0.02124%0.244CC..Hα-helixtrans-64.2-49.7-178-66.2162.1000111.5F10 L11 F13 F17 V18 L19 Y59 L60F10-I15 WeakPolarHBondContact O-CG1 3.36Å; F10-I15 PolarHBondContact O-N 3.17Å; L11-I15 HydrophobicContact CD1-CD1 4.44Å; F13-I15 PolarHBondContact O-N 3.16Å; I15-F17 PolarHBondContact O-N 3.17Å; I15-V18 PolarHBondContact O-N 3.01Å; I15-L19 HydrophobicContact CG2-CD1 3.8Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 WeakPolarHBondContact O-CB 3.44Å; I15-L19 WeakPolarHBondContact O-CG 3.36Å; I15-L19 PolarHBondContact O-N 3.47Å; I15-Y59 HydrophobicContact CG2-CE1 4.38Å; I15-L60 HydrophobicContact CD1-CD2 3.97Å
16P86.5Confident83.5Confident10 Ų1045.4 Ų45.47%0.06522%0.224CC..Hα-helixtrans-57.1-41172.9-30.638.7000114.9F20 L38 C41 Y334P16-F20 WeakPolarHBondContact O-CB 3.31Å; P16-F20 PolarHBondContact O-N 2.89Å; P16-L38 HydrophobicContact CB-CD1 4.09Å; P16-L38 WeakPolarHBondContact O-CD1 3.12Å; P16-C41 HydrophobicContact CG-CB 4.26Å; P16-Y334 HydrophobicContact CB-CE1 4.37Å
17F88Confident83.9Confident132 Ų13245.3 Ų45.358%0.57922%0.22SC*.Hα-helixtrans-68.3-43-178-178.1-111.1000111.9F13 V14 I15 F20 I21F13-F17 WeakPolarHBondContact O-CB 3.3Å; F13-F17 PolarHBondContact O-N 3.03Å; V14-F17 PolarHBondContact O-N 3.45Å; I15-F17 PolarHBondContact O-N 3.17Å; F17-F20 PolarHBondContact O-N 3.17Å; F17-I21 HydrophobicContact CD1-CD1 3.84Å; F17-I21 HydrophobicContact CE1-CD1 3.49Å; F17-I21 VanDerWaalsContact CE1-CD1 3.49Å; F17-I21 HydrophobicContact CE2-CD1 4.21Å; F17-I21 HydrophobicContact CG-CD1 4.35Å; F17-I21 HydrophobicContact CZ-CD1 3.7Å; F17-I21 WeakPolarHBondContact O-CG1 3.46Å; F17-I21 PolarHBondContact O-N 3.3Å
18V88.9Confident84.4Confident11 Ų1145.2 Ų45.27%0.06722%0.219CC..Hα-helixtrans-64.7-46.6175.71700000111V14 I15 F20 I21 V22 F125 I126 V129V14-V18 HydrophobicContact CG1-CG2 4.47Å; V14-V18 WeakPolarHBondContact O-CB 3.38Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 3.16Å; I15-V18 PolarHBondContact O-N 3.01Å; V18-F20 PolarHBondContact O-N 3.34Å; V18-I21 PolarHBondContact O-N 2.93Å; V18-V22 WeakPolarHBondContact O-CG2 3.38Å; V18-V22 PolarHBondContact O-N 3.02Å; V18-V22 VanDerWaalsContact O-N 3.13Å; V18-F125 HydrophobicContact CB-CE1 4.31Å; V18-F125 HydrophobicContact CG1-CD1 3.76Å; V18-F125 HydrophobicContact CG1-CE1 3.76Å; V18-F125 HydrophobicContact CG2-CE1 3.82Å; V18-F125 HydrophobicContact CG2-CZ 4.16Å; V18-I126 HydrophobicContact CG1-CG1 3.99Å; V18-V129 HydrophobicContact CG1-CB 4.41Å; V18-V129 HydrophobicContact CG1-CG2 4.32Å; V18-V129 HydrophobicContact CG2-CG1 4.27Å; V18-V129 HydrophobicContact CG2-CG2 4.24Å
19L90.6Very high85Confident2 Ų243.5 Ų43.51%0.0122%0.216CC..Hα-helixtrans-59.7-44.7175-73.4169.8000111.6I15 V22 T23 Y34 F37 L38 L63 I126I15-L19 HydrophobicContact CG2-CD1 3.8Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 WeakPolarHBondContact O-CB 3.44Å; I15-L19 WeakPolarHBondContact O-CG 3.36Å; I15-L19 PolarHBondContact O-N 3.47Å; L19-V22 PolarHBondContact O-N 3.13Å; L19-T23 WeakPolarHBondContact O-CG2 3.26Å; L19-T23 PolarHBondContact O-N 3.26Å; L19-T23 PolarHBondContact O-OG1 2.87Å; L19-Y34 HydrophobicContact CD2-CD1 4.2Å; L19-Y34 HydrophobicContact CD2-CG 4.34Å; L19-F37 HydrophobicContact CD1-CB 4.2Å; L19-F37 HydrophobicContact CD2-CB 4.41Å; L19-L38 HydrophobicContact CB-CB 4.1Å; L19-L38 HydrophobicContact CB-CD1 3.9Å; L19-L38 HydrophobicContact CB-CG 4.48Å; L19-L63 HydrophobicContact CD2-CD1 4.12Å; L19-L63 HydrophobicContact CD2-CD2 4.45Å; L19-I126 HydrophobicContact CD2-CD1 3.91Å; L19-I126 HydrophobicContact CD2-CG1 4.38Å
20F88.8Confident85.6Confident79 Ų7940.5 Ų40.535%0.34620%0.2SC..Hα-helixtrans-59.5-48.2177.5176.5-110.2000112.2P16 F17 V18 V22 T23 V24 L38 M330P16-F20 WeakPolarHBondContact O-CB 3.31Å; P16-F20 PolarHBondContact O-N 2.89Å; F17-F20 PolarHBondContact O-N 3.17Å; V18-F20 PolarHBondContact O-N 3.34Å; F20-V22 VanDerWaalsContact C-N 3.31Å; F20-V22 PolarHBondContact O-N 2.93Å; F20-T23 WeakPolarHBondContact CA-OG1 3.36Å; F20-T23 PolarHBondContact O-N 3.15Å; F20-T23 VanDerWaalsContact O-N 3.16Å; F20-T23 PolarHBondContact O-OG1 3.4Å; F20-V24 HydrophobicContact CD2-CG2 4.16Å; F20-V24 HydrophobicContact CE1-CG2 4.28Å; F20-V24 HydrophobicContact CE2-CG2 3.74Å; F20-V24 HydrophobicContact CZ-CG2 3.81Å; F20-V24 WeakPolarHBondContact O-CG2 3.49Å; F20-V24 PolarHBondContact O-N 2.81Å; F20-V24 VanDerWaalsContact O-N 3.07Å; F20-L38 HydrophobicContact CB-CD1 4.23Å; F20-L38 HydrophobicContact CB-CD2 3.96Å; F20-L38 HydrophobicContact CD2-CD2 4.16Å; F20-M330 HydrophobicContact CD2-CE 3.74Å; F20-M330 HydrophobicContact CD2-SD 3.73Å; F20-M330 HydrophobicContact CE2-CE 4.3Å; F20-M330 HydrophobicContact CE2-SD 3.74Å; F20-M330 HydrophobicContact CG-CE 4.42Å
21I87.7Confident86Confident62 Ų6237.5 Ų37.532%0.31819%0.187SC..Hα-helixtrans-54.2-49.1175.9-73.7167.9000110.5F17 V18 T23 V24 V25F17-I21 HydrophobicContact CD1-CD1 3.84Å; F17-I21 HydrophobicContact CE1-CD1 3.49Å; F17-I21 VanDerWaalsContact CE1-CD1 3.49Å; F17-I21 HydrophobicContact CE2-CD1 4.21Å; F17-I21 HydrophobicContact CG-CD1 4.35Å; F17-I21 HydrophobicContact CZ-CD1 3.7Å; F17-I21 WeakPolarHBondContact O-CG1 3.46Å; F17-I21 PolarHBondContact O-N 3.3Å; V18-I21 PolarHBondContact O-N 2.93Å; I21-T23 PolarHBondContact O-N 2.94Å; I21-V24 PolarHBondContact O-N 2.9Å; I21-V25 HydrophobicContact CG2-CG2 4.02Å; I21-V25 WeakPolarHBondContact O-CB 3.08Å; I21-V25 WeakPolarHBondContact O-CG2 3.29Å; I21-V25 PolarHBondContact O-N 2.86Å
22V88.3Confident86.6Confident2 Ų239.5 Ų39.51%0.01220%0.195CC..Hα-helixtrans-62.6-41.1179.9174.10000112.2V18 L19 F20 V24 V25 R26 Y34 P122 I126V18-V22 WeakPolarHBondContact O-CG2 3.38Å; V18-V22 PolarHBondContact O-N 3.02Å; V18-V22 VanDerWaalsContact O-N 3.13Å; L19-V22 PolarHBondContact O-N 3.13Å; F20-V22 VanDerWaalsContact C-N 3.31Å; F20-V22 PolarHBondContact O-N 2.93Å; V22-V24 VanDerWaalsContact C-N 3.26Å; V22-V24 PolarHBondContact O-N 2.56Å; V22-V25 PolarHBondContact O-N 2.75Å; V22-R26 PolarHBondContact O-N 3.49Å; V22-Y34 HydrophobicContact CG1-CD2 3.61Å; V22-Y34 HydrophobicContact CG1-CE2 3.93Å; V22-P122 HydrophobicContact CB-CB 4.11Å; V22-P122 HydrophobicContact CG1-CB 3.55Å; V22-P122 HydrophobicContact CG2-CB 3.66Å; V22-I126 HydrophobicContact CB-CD1 3.69Å; V22-I126 HydrophobicContact CB-CG1 4.5Å; V22-I126 HydrophobicContact CG1-CD1 3.75Å; V22-I126 HydrophobicContact CG2-CD1 3.51Å; V22-I126 HydrophobicContact CG2-CG1 3.8Å
23T87.5Confident87.2Confident5 Ų539.2 Ų39.23%0.03120%0.199CC..Hα-helixtrans-63.3-30.2177.557.90000113.5L19 F20 I21 L35 L38 Y275L19-T23 WeakPolarHBondContact O-CG2 3.26Å; L19-T23 PolarHBondContact O-N 3.26Å; L19-T23 PolarHBondContact O-OG1 2.87Å; F20-T23 WeakPolarHBondContact CA-OG1 3.36Å; F20-T23 PolarHBondContact O-N 3.15Å; F20-T23 VanDerWaalsContact O-N 3.16Å; F20-T23 PolarHBondContact O-OG1 3.4Å; I21-T23 PolarHBondContact O-N 2.94Å; T23-L35 HydrophobicContact CG2-CB 3.9Å; T23-L35 HydrophobicContact CG2-CD1 4.41Å; T23-L38 HydrophobicContact CG2-CD2 4.39Å; T23-Y275 VanDerWaalsContact O-CE2 3.23Å; T23-Y275 WeakPolarHBondContact O-CE2 3.48Å; T23-Y275 PolarHBondContact O-OH 2.98Å
24V84.2Confident87.7Confident72 Ų7232.3 Ų32.344%0.43617%0.168SC..Hα-helixtrans-85.7-31.5178.7175.60000112.3F20 I21 V22 R26F20-V24 HydrophobicContact CD2-CG2 4.16Å; F20-V24 HydrophobicContact CE1-CG2 4.28Å; F20-V24 HydrophobicContact CE2-CG2 3.74Å; F20-V24 HydrophobicContact CZ-CG2 3.81Å; F20-V24 WeakPolarHBondContact O-CG2 3.49Å; F20-V24 PolarHBondContact O-N 2.81Å; F20-V24 VanDerWaalsContact O-N 3.07Å; I21-V24 PolarHBondContact O-N 2.9Å; V22-V24 VanDerWaalsContact C-N 3.26Å; V22-V24 PolarHBondContact O-N 2.56Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 2.99Å
25V83.3Confident87.9Confident54 Ų5430.5 Ų30.533%0.32716%0.157SC..Hα-helixtrans-69.3-27.7-177.9164.30000113.2I21 V22 R118 P122I21-V25 HydrophobicContact CG2-CG2 4.02Å; I21-V25 WeakPolarHBondContact O-CB 3.08Å; I21-V25 WeakPolarHBondContact O-CG2 3.29Å; I21-V25 PolarHBondContact O-N 2.86Å; V22-V25 PolarHBondContact O-N 2.75Å; V25-R118 HydrophobicContact CG1-CG 3.62Å; V25-P122 HydrophobicContact CG1-CG 4.01Å
26R83.3Confident88.1Confident11 Ų1134.2 Ų34.24%0.04218%0.177CC..  trans-155136.6179.847.3166.8-145.2-1718.3111.5V22 V24 S31 L119 P122 D123 Y275V22-R26 PolarHBondContact O-N 3.49Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 2.99Å; R26-S31 WeakPolarHBondContact CG-OG 3.41Å; R26-S31 PolarHBondContact NE-OG 2.85Å; R26-S31 PolarHBondContact NH2-OG 3.17Å; R26-S31 WeakPolarHBondContact O-CB 3.39Å; R26-S31 PolarHBondContact O-OG 3.16Å; R26-L119 PolarHBondContact NH1-O 3.37Å; R26-P122 HydrophobicContact CG-CG 4.49Å; R26-D123 IonicContact CZ-OD1 3.74Å; R26-D123 IonicContact CZ-OD2 2.67Å; R26-D123 IonicContact NH1-OD1 3.76Å; R26-D123 IonicContact NH1-OD2 2.72Å; R26-D123 PolarHBondContact NH1-OD2 2.87Å; R26-D123 VanDerWaalsContact NH2-CG 3.33Å; R26-D123 IonicContact NH2-OD1 3.23Å; R26-D123 PolarHBondContact NH2-OD1 2.75Å; R26-D123 IonicContact NH2-OD2 2.69Å; R26-D123 PolarHBondContact NH2-OD2 3.26Å; R26-Y275 PolarHBondContact O-OH 2.56Å
27Y83.7Confident88.4Confident56 Ų5635.2 Ų35.222%0.2218%0.18CC..  trans-107.7102.8176-59.5-102.6000108.5Y275 Q278 M302Y27-Y275 HydrophobicContact CD1-CD1 4.34Å; Y27-Y275 AromaticContact CD1-CD2 3.8Å; Y27-Y275 HydrophobicContact CD1-CD2 3.8Å; Y27-Y275 HydrophobicContact CD1-CE1 4.03Å; Y27-Y275 AromaticContact CD1-CE2 3.43Å; Y27-Y275 HydrophobicContact CD1-CE2 3.43Å; Y27-Y275 VanDerWaalsContact CD1-CE2 3.43Å; Y27-Y275 HydrophobicContact CD1-CG 4.24Å; Y27-Y275 AromaticContact CD1-CZ 3.56Å; Y27-Y275 AromaticContact CE1-CD2 3.73Å; Y27-Y275 HydrophobicContact CE1-CD2 3.73Å; Y27-Y275 AromaticContact CE1-CE2 3.51Å; Y27-Y275 HydrophobicContact CE1-CE2 3.51Å; Y27-Y275 HydrophobicContact CE1-CG 4.5Å; Y27-Y275 HydrophobicContact CG-CE2 4.43Å; Y27-Q278 HydrophobicContact CD1-CB 3.66Å; Y27-Q278 HydrophobicContact CD1-CG 3.87Å; Y27-Q278 HydrophobicContact CE1-CB 4.14Å; Y27-Q278 HydrophobicContact CE1-CG 3.82Å; Y27-Q278 HydrophobicContact CG-CB 4.03Å; Y27-M302 HydrophobicContact CD2-CE 3.69Å; Y27-M302 HydrophobicContact CD2-CG 4.41Å; Y27-M302 HydrophobicContact CD2-SD 3.43Å; Y27-M302 WeakPolarHBondContact CD2-SD 3.47Å; Y27-M302 HydrophobicContact CE2-CG 4.47Å; Y27-M302 HydrophobicContact CE2-SD 3.9Å; Y27-M302 HydrophobicContact CG-CE 3.91Å; Y27-M302 HydrophobicContact CG-SD 4.25Å
28N85.6Confident88.5Confident9 Ų929 Ų295%0.04815%0.153CC..SBendtrans-155.8171.7178.163.46.9000109.5F30 S31 F32 Q102 G104N28-F30 VanDerWaalsContact C-N 3.34Å; N28-F30 PolarHBondContact O-N 3.49Å; N28-S31 PolarHBondContact O-N 3.25Å; N28-S31 VanDerWaalsContact OD1-CB 3.25Å; N28-S31 WeakPolarHBondContact OD1-CB 3.5Å; N28-S31 PolarHBondContact OD1-N 3.14Å; N28-S31 PolarHBondContact OD1-OG 3.14Å; N28-F32 PolarHBondContact O-N 2.93Å; N28-Q102 CarbonylContact C-O 3.41Å; N28-Q102 WeakPolarHBondContact CA-O 3.42Å; N28-G104 VanDerWaalsContact ND2-CA 3.26Å; N28-G104 WeakPolarHBondContact ND2-CA 3.22Å
29G86.7Confident88.6Confident22 Ų2229 Ų2923%0.22715%0.153CC..Hα-helixtrans-54.3-46.1-177.500000112.9S31 F32 T33 Q102 I103G29-S31 VanDerWaalsContact C-N 3.3Å; G29-S31 PolarHBondContact O-N 2.72Å; G29-F32 PolarHBondContact O-N 3.19Å; G29-T33 PolarHBondContact O-N 3.49Å; G29-Q102 PolarHBondContact N-O 2.88Å; G29-I103 VanDerWaalsContact CA-O 3.26Å; G29-I103 WeakPolarHBondContact CA-O 3.43Å; G29-I103 PolarHBondContact N-O 3.49Å; G29-I103 VanDerWaalsContact N-O 3.08Å
30F90.4Very high88.4Confident17 Ų1730.7 Ų30.78%0.07517%0.167CC..Hα-helixtrans-53.8-47174.6-57.7-16.7000111.8N28 T33 Y34 F70 S73 I103 V105N28-F30 VanDerWaalsContact C-N 3.34Å; N28-F30 PolarHBondContact O-N 3.49Å; F30-T33 PolarHBondContact O-N 3.27Å; F30-T33 PolarHBondContact O-OG1 3.03Å; F30-Y34 PolarHBondContact O-N 3.44Å; F30-Y34 VanDerWaalsContact O-N 3.1Å; F30-F70 HydrophobicContact CB-CD1 4.32Å; F30-F70 HydrophobicContact CB-CD2 4.08Å; F30-F70 HydrophobicContact CB-CE2 4.29Å; F30-F70 HydrophobicContact CB-CG 4.1Å; F30-F70 AromaticContact CD1-CD1 3.29Å; F30-F70 HydrophobicContact CD1-CD1 3.29Å; F30-F70 AromaticContact CD1-CE1 3.4Å; F30-F70 HydrophobicContact CD1-CE1 3.4Å; F30-F70 VanDerWaalsContact CD1-CE1 3.4Å; F30-F70 AromaticContact CD1-CG 3.91Å; F30-F70 HydrophobicContact CD1-CG 3.91Å; F30-F70 HydrophobicContact CD1-CZ 4.09Å; F30-F70 HydrophobicContact CD2-CB 4.11Å; F30-F70 HydrophobicContact CD2-CD1 4.25Å; F30-F70 HydrophobicContact CD2-CG 4.21Å; F30-F70 AromaticContact CE1-CD1 3.51Å; F30-F70 HydrophobicContact CE1-CD1 3.51Å; F30-F70 AromaticContact CE1-CE1 3.8Å; F30-F70 HydrophobicContact CE1-CE1 3.8Å; F30-F70 HydrophobicContact CE1-CG 4.39Å; F30-F70 HydrophobicContact CE2-CB 4.4Å; F30-F70 HydrophobicContact CE2-CD1 4.42Å; F30-F70 HydrophobicContact CG-CB 4.23Å; F30-F70 AromaticContact CG-CD1 3.7Å; F30-F70 HydrophobicContact CG-CD1 3.7Å; F30-F70 HydrophobicContact CG-CD2 4.3Å; F30-F70 HydrophobicContact CG-CE1 4.11Å; F30-F70 AromaticContact CG-CG 3.82Å; F30-F70 HydrophobicContact CG-CG 3.82Å; F30-F70 HydrophobicContact CZ-CD1 4.07Å; F30-S73 WeakPolarHBondContact CE2-OG 3.46Å; F30-S73 VanDerWaalsContact CZ-OG 3.23Å; F30-S73 WeakPolarHBondContact CZ-OG 3.32Å; F30-I103 WeakPolarHBondContact CD1-O 3.25Å; F30-I103 HydrophobicContact CE1-CG2 4.13Å; F30-I103 PolarHBondContact N-O 2.85Å; F30-V105 HydrophobicContact CE2-CG1 3.94Å; F30-V105 HydrophobicContact CZ-CG1 3.83Å
31S89.5Confident88.2Confident0 Ų027 Ų270%015%0.151CC..Hα-helixtrans-75.5-28.7-178.1-490000112.8R26 N28 G29 T33 Y34 L35 Y275R26-S31 WeakPolarHBondContact CG-OG 3.41Å; R26-S31 PolarHBondContact NE-OG 2.85Å; R26-S31 PolarHBondContact NH2-OG 3.17Å; R26-S31 WeakPolarHBondContact O-CB 3.39Å; R26-S31 PolarHBondContact O-OG 3.16Å; N28-S31 PolarHBondContact O-N 3.25Å; N28-S31 VanDerWaalsContact OD1-CB 3.25Å; N28-S31 WeakPolarHBondContact OD1-CB 3.5Å; N28-S31 PolarHBondContact OD1-N 3.14Å; N28-S31 PolarHBondContact OD1-OG 3.14Å; G29-S31 VanDerWaalsContact C-N 3.3Å; G29-S31 PolarHBondContact O-N 2.72Å; S31-T33 VanDerWaalsContact C-N 3.32Å; S31-Y34 CarbonylContact O-C 3.6Å; S31-Y34 PolarHBondContact O-N 3.18Å; S31-L35 PolarHBondContact O-N 3.15Å; S31-Y275 VanDerWaalsContact CB-OH 3.23Å; S31-Y275 WeakPolarHBondContact CB-OH 3.43Å
32F90.7Very high87.9Confident47 Ų4724.1 Ų24.121%0.20614%0.136CC..Hα-helixtrans-62.8-38166.7-179.7-108.3000111.7N28 G29 L35 L36 C272 Y275 L276 F279N28-F32 PolarHBondContact O-N 2.93Å; G29-F32 PolarHBondContact O-N 3.19Å; F32-L35 HydrophobicContact CD2-CD2 4.18Å; F32-L35 HydrophobicContact CE2-CD2 4.4Å; F32-L35 WeakPolarHBondContact O-CB 3.29Å; F32-L35 PolarHBondContact O-N 3.14Å; F32-L36 HydrophobicContact CE1-CD1 4.24Å; F32-L36 HydrophobicContact CZ-CD2 4.4Å; F32-L36 PolarHBondContact O-N 2.91Å; F32-C272 HydrophobicContact CE2-CB 4.19Å; F32-Y275 HydrophobicContact CB-CD1 4.26Å; F32-Y275 HydrophobicContact CB-CE1 3.97Å; F32-Y275 AromaticContact CD2-CD1 3.79Å; F32-Y275 HydrophobicContact CD2-CD1 3.79Å; F32-Y275 HydrophobicContact CD2-CE1 4.33Å; F32-L276 HydrophobicContact CD2-CD2 4.1Å; F32-L276 HydrophobicContact CD2-CG 4.34Å; F32-L276 HydrophobicContact CE1-CD2 4.44Å; F32-L276 HydrophobicContact CE2-CD1 4.16Å; F32-L276 HydrophobicContact CE2-CD2 3.9Å; F32-L276 HydrophobicContact CE2-CG 3.84Å; F32-L276 HydrophobicContact CG-CD2 4.45Å; F32-L276 HydrophobicContact CZ-CD1 4.16Å; F32-L276 HydrophobicContact CZ-CD2 4.08Å; F32-L276 HydrophobicContact CZ-CG 4.23Å; F32-F279 HydrophobicContact CB-CE2 4.5Å; F32-F279 HydrophobicContact CB-CZ 4.09Å
33T91.5Very high87.6Confident40 Ų4028.4 Ų28.425%0.24516%0.159CC..Hα-helixtrans-65.2-39.6171.673.80000111.8G29 F30 S31 L35 L36 F37 F70G29-T33 PolarHBondContact O-N 3.49Å; F30-T33 PolarHBondContact O-N 3.27Å; F30-T33 PolarHBondContact O-OG1 3.03Å; S31-T33 VanDerWaalsContact C-N 3.32Å; T33-L35 VanDerWaalsContact C-N 3.28Å; T33-L35 PolarHBondContact O-N 3.32Å; T33-L36 WeakPolarHBondContact O-CB 3.41Å; T33-L36 PolarHBondContact O-N 3.48Å; T33-F37 WeakPolarHBondContact O-CD2 3.44Å; T33-F37 PolarHBondContact O-N 3.41Å; T33-F70 HydrophobicContact CG2-CZ 4.29Å; T33-F70 WeakPolarHBondContact OG1-CE2 3.5Å; T33-F70 WeakPolarHBondContact OG1-CZ 3.4Å
34Y92.6Very high87.3Confident0 Ų029.4 Ų29.40%016%0.163CC..Hα-helixtrans-63.7-30.2173.2-64-40000113.3L19 V22 F30 S31 L36 F37 L38 L63 S67 F70 D123 I126L19-Y34 HydrophobicContact CD2-CD1 4.2Å; L19-Y34 HydrophobicContact CD2-CG 4.34Å; V22-Y34 HydrophobicContact CG1-CD2 3.61Å; V22-Y34 HydrophobicContact CG1-CE2 3.93Å; F30-Y34 PolarHBondContact O-N 3.44Å; F30-Y34 VanDerWaalsContact O-N 3.1Å; S31-Y34 CarbonylContact O-C 3.6Å; S31-Y34 PolarHBondContact O-N 3.18Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-F37 CarbonylContact O-C 3.46Å; Y34-F37 PolarHBondContact O-N 2.84Å; Y34-L38 WeakPolarHBondContact O-CB 3.13Å; Y34-L38 PolarHBondContact O-N 2.98Å; Y34-L63 HydrophobicContact CD1-CD1 4.03Å; Y34-L63 HydrophobicContact CE1-CD1 4.04Å; Y34-S67 WeakPolarHBondContact OH-CA 3.33Å; Y34-S67 WeakPolarHBondContact OH-CB 3.43Å; Y34-F70 HydrophobicContact CE1-CD2 4.06Å; Y34-F70 HydrophobicContact CE1-CE2 4.19Å; Y34-F70 HydrophobicContact CE2-CD2 4.41Å; Y34-F70 AromaticContact CZ-CD2 3.76Å; Y34-D123 WeakPolarHBondContact CE2-OD1 3.24Å; Y34-D123 VanDerWaalsContact CZ-OD1 3.29Å; Y34-D123 PolarHBondContact OH-OD1 3.2Å; Y34-I126 HydrophobicContact CD1-CD1 3.89Å; Y34-I126 HydrophobicContact CD2-CD1 3.48Å; Y34-I126 VanDerWaalsContact CD2-CD1 3.48Å; Y34-I126 HydrophobicContact CE1-CD1 3.84Å; Y34-I126 HydrophobicContact CE1-CG2 3.98Å; Y34-I126 HydrophobicContact CE2-CD1 3.39Å; Y34-I126 HydrophobicContact CG-CD1 3.72Å
35L90.8Very high86.6Confident5 Ų527.9 Ų27.93%0.02616%0.158CC..Hα-helixtrans-63-39.7170.2-178.467.4000111.6T23 S31 F32 T33 F37 L38 L39 V271 Y275T23-L35 HydrophobicContact CG2-CB 3.9Å; T23-L35 HydrophobicContact CG2-CD1 4.41Å; S31-L35 PolarHBondContact O-N 3.15Å; F32-L35 HydrophobicContact CD2-CD2 4.18Å; F32-L35 HydrophobicContact CE2-CD2 4.4Å; F32-L35 WeakPolarHBondContact O-CB 3.29Å; F32-L35 PolarHBondContact O-N 3.14Å; T33-L35 VanDerWaalsContact C-N 3.28Å; T33-L35 PolarHBondContact O-N 3.32Å; L35-F37 VanDerWaalsContact C-N 3.35Å; L35-L38 HydrophobicContact CD1-CD2 4.12Å; L35-L38 WeakPolarHBondContact O-CB 3.32Å; L35-L38 PolarHBondContact O-N 3.46Å; L35-L39 HydrophobicContact CG-CD1 4.35Å; L35-L39 WeakPolarHBondContact O-CG 3.26Å; L35-L39 PolarHBondContact O-N 3.47Å; L35-V271 HydrophobicContact CD1-CG1 4.26Å; L35-Y275 HydrophobicContact CD2-CD1 4.04Å; L35-Y275 HydrophobicContact CD2-CD2 3.81Å; L35-Y275 HydrophobicContact CD2-CE2 4.49Å; L35-Y275 HydrophobicContact CD2-CG 3.56Å
36L91.9Very high85.9Confident83 Ų8332.1 Ų32.144%0.43517%0.169SC..Hα-helixtrans-64.4-39.5173.4-59.2176.2000111.4F32 T33 Y34 L38 L39 A40F32-L36 HydrophobicContact CE1-CD1 4.24Å; F32-L36 HydrophobicContact CZ-CD2 4.4Å; F32-L36 PolarHBondContact O-N 2.91Å; T33-L36 WeakPolarHBondContact O-CB 3.41Å; T33-L36 PolarHBondContact O-N 3.48Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L39 PolarHBondContact O-N 3.4Å; L36-A40 VanDerWaalsContact O-CB 3.25Å; L36-A40 WeakPolarHBondContact O-CB 3.4Å; L36-A40 PolarHBondContact O-N 3.23Å
37F91.8Very high85.2Confident30 Ų3033 Ų3313%0.13218%0.176CC..Hα-helixtrans-65.1-35.8171.8-84.7-97.7000112.7L19 T33 Y34 L35 A40 C41 Y59 L62 L63 L66L19-F37 HydrophobicContact CD1-CB 4.2Å; L19-F37 HydrophobicContact CD2-CB 4.41Å; T33-F37 WeakPolarHBondContact O-CD2 3.44Å; T33-F37 PolarHBondContact O-N 3.41Å; Y34-F37 CarbonylContact O-C 3.46Å; Y34-F37 PolarHBondContact O-N 2.84Å; L35-F37 VanDerWaalsContact C-N 3.35Å; F37-A40 PolarHBondContact O-N 2.7Å; F37-C41 WeakPolarHBondContact O-CB 3.17Å; F37-C41 PolarHBondContact O-N 3.04Å; F37-Y59 HydrophobicContact CB-CE2 4.47Å; F37-Y59 HydrophobicContact CD1-CD2 4.05Å; F37-Y59 AromaticContact CD1-CE2 3.5Å; F37-Y59 HydrophobicContact CD1-CE2 3.5Å; F37-Y59 AromaticContact CD1-CZ 3.8Å; F37-Y59 HydrophobicContact CE1-CD2 4.25Å; F37-Y59 HydrophobicContact CE1-CE2 4.16Å; F37-Y59 HydrophobicContact CG-CE2 4.36Å; F37-Y59 PolarHBondContact O-OH 3.01Å; F37-L62 HydrophobicContact CE1-CB 4.15Å; F37-L62 HydrophobicContact CZ-CB 4.05Å; F37-L63 HydrophobicContact CB-CD1 4.41Å; F37-L63 HydrophobicContact CD1-CB 3.97Å; F37-L63 HydrophobicContact CD1-CD1 3.91Å; F37-L63 HydrophobicContact CD1-CG 4.4Å; F37-L63 HydrophobicContact CE1-CB 3.86Å; F37-L63 HydrophobicContact CE1-CD1 4.38Å; F37-L63 HydrophobicContact CG-CD1 4.06Å; F37-L66 HydrophobicContact CE2-CD1 3.46Å; F37-L66 VanDerWaalsContact CE2-CD1 3.46Å; F37-L66 HydrophobicContact CZ-CD1 3.67Å
38L90.8Very high84.4Confident1 Ų139 Ų391%0.00520%0.203CC..Hα-helixtrans-67.4-39.817717961.5000112.3P16 L19 F20 T23 Y34 L35 L36 P42 M330 Y334P16-L38 HydrophobicContact CB-CD1 4.09Å; P16-L38 WeakPolarHBondContact O-CD1 3.12Å; L19-L38 HydrophobicContact CB-CB 4.1Å; L19-L38 HydrophobicContact CB-CD1 3.9Å; L19-L38 HydrophobicContact CB-CG 4.48Å; F20-L38 HydrophobicContact CB-CD1 4.23Å; F20-L38 HydrophobicContact CB-CD2 3.96Å; F20-L38 HydrophobicContact CD2-CD2 4.16Å; T23-L38 HydrophobicContact CG2-CD2 4.39Å; Y34-L38 WeakPolarHBondContact O-CB 3.13Å; Y34-L38 PolarHBondContact O-N 2.98Å; L35-L38 HydrophobicContact CD1-CD2 4.12Å; L35-L38 WeakPolarHBondContact O-CB 3.32Å; L35-L38 PolarHBondContact O-N 3.46Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L38-P42 VanDerWaalsContact O-CD 3.23Å; L38-P42 WeakPolarHBondContact O-CD 3.47Å; L38-M330 HydrophobicContact CD1-CE 4.19Å; L38-M330 HydrophobicContact CD2-CE 3.66Å; L38-M330 HydrophobicContact CD2-SD 4.49Å; L38-M330 HydrophobicContact CG-CE 3.98Å; L38-Y334 VanDerWaalsContact CD1-OH 3.31Å; L38-Y334 WeakPolarHBondContact CD1-OH 3.2Å; L38-Y334 PolarHBondContact O-OH 3.4Å
39L90Very high83.4Confident12 Ų1242.2 Ų42.26%0.06323%0.225CC..Hα-helixtrans-71.7-37.2173.3-66.5170.9000111.3L35 L36 P42 Y333L35-L39 HydrophobicContact CG-CD1 4.35Å; L35-L39 WeakPolarHBondContact O-CG 3.26Å; L35-L39 PolarHBondContact O-N 3.47Å; L36-L39 PolarHBondContact O-N 3.4Å; L39-P42 VanDerWaalsContact O-CD 3.29Å; L39-P42 WeakPolarHBondContact O-CD 3.41Å; L39-P42 WeakPolarHBondContact O-CG 3.28Å; L39-Y333 HydrophobicContact CB-CE1 4.07Å; L39-Y333 HydrophobicContact CD2-CD1 3.62Å; L39-Y333 HydrophobicContact CD2-CD2 4.41Å; L39-Y333 HydrophobicContact CD2-CE1 3.54Å; L39-Y333 HydrophobicContact CD2-CE2 4.33Å; L39-Y333 HydrophobicContact CD2-CG 4.08Å; L39-Y333 HydrophobicContact CG-CE1 4.43Å; L39-Y333 PolarHBondContact O-OH 2.94Å; L39-Y333 VanDerWaalsContact O-OH 3.11Å
40A87.6Confident82.5Confident38 Ų3846 Ų4631%0.31425%0.246SC..Hα-helixtrans-68.4-33.6176.400000113.8L36 F37 L43 Y59L36-A40 VanDerWaalsContact O-CB 3.25Å; L36-A40 WeakPolarHBondContact O-CB 3.4Å; L36-A40 PolarHBondContact O-N 3.23Å; F37-A40 PolarHBondContact O-N 2.7Å; A40-L43 WeakPolarHBondContact O-CB 3.26Å; A40-L43 PolarHBondContact O-N 3.03Å; A40-L43 VanDerWaalsContact O-N 3.11Å; A40-Y59 HydrophobicContact CB-CE2 4.12Å
41C85.3Confident81.8Confident1 Ų155.3 Ų55.31%0.00728%0.28CS..G310 helixtrans-52.7-49.8-175-160.20000114.5P16 F37 L43 L44 Y59P16-C41 HydrophobicContact CG-CB 4.26Å; F37-C41 WeakPolarHBondContact O-CB 3.17Å; F37-C41 PolarHBondContact O-N 3.04Å; C41-L43 PolarHBondContact O-N 2.79Å; C41-L43 VanDerWaalsContact O-N 3.12Å; C41-L44 WeakPolarHBondContact O-CB 3.38Å; C41-L44 PolarHBondContact O-N 3.24Å; C41-Y59 WeakPolarHBondContact CB-OH 3.5Å
42P81.4Confident80.9Confident2 Ų256.1 Ų56.11%0.01329%0.286CS..G310 helixtrans-66.2-13.9-178.425.9-37000115R12 L38 L39 Y333 Y334 V337 R341R12-P42 PolarHBondContact NH1-O 3.36Å; L38-P42 VanDerWaalsContact O-CD 3.23Å; L38-P42 WeakPolarHBondContact O-CD 3.47Å; L39-P42 VanDerWaalsContact O-CD 3.29Å; L39-P42 WeakPolarHBondContact O-CD 3.41Å; L39-P42 WeakPolarHBondContact O-CG 3.28Å; P42-Y333 HydrophobicContact CG-CE1 4.19Å; P42-Y334 HydrophobicContact CB-CD1 4.35Å; P42-Y334 HydrophobicContact CB-CE1 4.13Å; P42-Y334 HydrophobicContact CG-CD1 4.44Å; P42-Y334 HydrophobicContact CG-CD2 4.5Å; P42-Y334 HydrophobicContact CG-CE1 4.04Å; P42-Y334 HydrophobicContact CG-CE2 4.07Å; P42-V337 HydrophobicContact CB-CB 4.22Å; P42-V337 HydrophobicContact CB-CG1 3.84Å; P42-V337 HydrophobicContact CB-CG2 4.48Å; P42-V337 HydrophobicContact CG-CG1 4.35Å; P42-V337 HydrophobicContact CG-CG2 4.23Å; P42-V337 VanDerWaalsContact O-CG1 3.26Å; P42-V337 WeakPolarHBondContact O-CG1 3.37Å; P42-R341 PolarHBondContact O-NH1 3.1Å
43L81.9Confident80.2Confident92 Ų9255.6 Ų55.648%0.48229%0.286SS..G310 helixtrans-78.6-22.7176.4-68.7153.5000112.6A40 C41 A45 V337 R341A40-L43 WeakPolarHBondContact O-CB 3.26Å; A40-L43 PolarHBondContact O-N 3.03Å; A40-L43 VanDerWaalsContact O-N 3.11Å; C41-L43 PolarHBondContact O-N 2.79Å; C41-L43 VanDerWaalsContact O-N 3.12Å; L43-A45 PolarHBondContact O-N 3.38Å; L43-V337 HydrophobicContact CD2-CG1 3.95Å; L43-V337 HydrophobicContact CD2-CG2 4.46Å; L43-V337 HydrophobicContact CG-CG1 4.04Å; L43-V337 HydrophobicContact CG-CG2 4.47Å; L43-R341 VanDerWaalsContact C-NH1 3.29Å; L43-R341 PolarHBondContact O-NH1 3.07Å; L43-R341 VanDerWaalsContact O-NH1 3.16Å
44L79.4Confident79.7Confident25 Ų2556.8 Ų56.813%0.13129%0.294CS..SBendtrans-63.1115.8-173.5-66.7167.2000114.4L11 C41 Y59 R341L11-L44 HydrophobicContact CD1-CD1 4.36Å; L11-L44 HydrophobicContact CD2-CB 4.33Å; C41-L44 WeakPolarHBondContact O-CB 3.38Å; C41-L44 PolarHBondContact O-N 3.24Å; L44-Y59 HydrophobicContact CD1-CD1 3.52Å; L44-Y59 HydrophobicContact CD1-CD2 3.83Å; L44-Y59 HydrophobicContact CD1-CE1 3.77Å; L44-Y59 HydrophobicContact CD1-CE2 4.04Å; L44-Y59 HydrophobicContact CD1-CG 3.55Å; L44-Y59 HydrophobicContact CD2-CD2 4.19Å; L44-Y59 HydrophobicContact CD2-CG 4.06Å; L44-Y59 HydrophobicContact CG-CD2 4.42Å; L44-Y59 HydrophobicContact CG-CG 4.39Å; L44-R341 PolarHBondContact O-NH1 2.95Å; L44-R341 PolarHBondContact O-NH2 2.88Å
45A70Confident79.3Confident40 Ų4063.1 Ų63.133%0.33132%0.322SS..  trans-48.7144.8178.300000112.9L43 R341L43-A45 PolarHBondContact O-N 3.38Å; A45-R341 VanDerWaalsContact CA-NH2 3.32Å
46R68.5Low79Confident144 Ų14463 Ų6354%0.54332%0.321SS..  trans-64.9138.8179-79-175176.2167-0.3109K48 S52 R341R46-K48 PolarHBondContact O-N 3.43Å; R46-S52 WeakPolarHBondContact O-CB 3.49Å; R46-S52 PolarHBondContact O-OG 3Å; R46-R341 VanDerWaalsContact N-NH2 3.13Å
47P69.7Low78.7Confident29 Ų2960.6 Ų60.619%0.18831%0.307CS..SBendtrans-68.991.8174.127.8-33.2000110D7 T53 F137D7-P47 HydrophobicContact CB-CG 4.18Å; P47-T53 HydrophobicContact CB-CG2 3.9Å; P47-F137 HydrophobicContact CG-CE1 4.33Å
48K65.6Low78.5Confident183 Ų18362.7 Ų62.780%0.79632%0.322SS*.SBendtrans-117.9-47.7173.3-83.5-166.4172.4-168.90110.7R46 S52R46-K48 PolarHBondContact O-N 3.43Å; K48-S52 PolarHBondContact N-OG 3.45Å
49C66.2Low78.5Confident76 Ų7663.4 Ų63.451%0.51433%0.325SS..SBendtrans-109152.9-176.9-48.90000109.5R51 S52 T53C49-R51 VanDerWaalsContact C-N 3.26Å; C49-R51 PolarHBondContact O-N 3.23Å; C49-R51 VanDerWaalsContact O-N 3.16Å; C49-S52 PolarHBondContact N-OG 3.05Å; C49-S52 PolarHBondContact O-N 3.42Å; C49-S52 PolarHBondContact O-OG 3.24Å; C49-S52 VanDerWaalsContact O-OG 3.11Å; C49-T53 PolarHBondContact O-N 2.9Å; C49-T53 VanDerWaalsContact O-N 3.13Å
50P67.1Low78.5Confident101 Ų10162.8 Ų62.866%0.65632%0.322SS*.Hα-helixtrans-52-44-178.617-30.4000112.4S52 T53 T54P50-S52 VanDerWaalsContact C-N 3.29Å; P50-S52 PolarHBondContact O-N 3.5Å; P50-T53 PolarHBondContact O-N 3.29Å; P50-T53 PolarHBondContact O-OG1 2.95Å; P50-T54 PolarHBondContact O-N 3.03Å; P50-T54 PolarHBondContact O-OG1 3.32Å
51R74.8Confident78.6Confident213 Ų21364.9 Ų64.980%0.80433%0.327SS*.Hα-helixtrans-61.2-27.4177.9-162171.3-172.1167.82.5114.5C49C49-R51 VanDerWaalsContact C-N 3.26Å; C49-R51 PolarHBondContact O-N 3.23Å; C49-R51 VanDerWaalsContact O-N 3.16Å
52S71.5Confident78.9Confident16 Ų1669 Ų6911%0.11235%0.349CS..Hα-helixtrans-84.1-31172.369.90000112.8R46 K48 C49 P50 T54 K55 V56R46-S52 WeakPolarHBondContact O-CB 3.49Å; R46-S52 PolarHBondContact O-OG 3Å; K48-S52 PolarHBondContact N-OG 3.45Å; C49-S52 PolarHBondContact N-OG 3.05Å; C49-S52 PolarHBondContact O-N 3.42Å; C49-S52 PolarHBondContact O-OG 3.24Å; C49-S52 VanDerWaalsContact O-OG 3.11Å; P50-S52 VanDerWaalsContact C-N 3.29Å; P50-S52 PolarHBondContact O-N 3.5Å; S52-T54 VanDerWaalsContact C-N 3.33Å; S52-T54 PolarHBondContact O-N 3.38Å; S52-K55 PolarHBondContact O-N 2.88Å; S52-V56 PolarHBondContact O-N 2.95Å
53T75.1Confident79.5Confident36 Ų3669.1 Ų69.122%0.22135%0.349CS..Hα-helixtrans-61.1-42.3169.770.50000111.5P47 C49 P50 K55 V56 Q57 R141P47-T53 HydrophobicContact CB-CG2 3.9Å; C49-T53 PolarHBondContact O-N 2.9Å; C49-T53 VanDerWaalsContact O-N 3.13Å; P50-T53 PolarHBondContact O-N 3.29Å; P50-T53 PolarHBondContact O-OG1 2.95Å; T53-K55 PolarHBondContact O-N 3.48Å; T53-V56 PolarHBondContact O-N 3.38Å; T53-Q57 WeakPolarHBondContact O-CG 3.37Å; T53-Q57 PolarHBondContact O-N 3.35Å; T53-R141 PolarHBondContact OG1-NH2 2.92Å
54T82.3Confident80Confident66 Ų6666.1 Ų66.141%0.40533%0.333SS..Hα-helixtrans-62.7-39.6177.9-52.30000111.9P50 S52 V56 Q57 V58 R141P50-T54 PolarHBondContact O-N 3.03Å; P50-T54 PolarHBondContact O-OG1 3.32Å; S52-T54 VanDerWaalsContact C-N 3.33Å; S52-T54 PolarHBondContact O-N 3.38Å; T54-V56 PolarHBondContact O-N 3.45Å; T54-Q57 PolarHBondContact O-N 2.98Å; T54-V58 HydrophobicContact CG2-CG2 4.49Å; T54-V58 WeakPolarHBondContact O-CG2 3.25Å; T54-V58 PolarHBondContact O-N 3.18Å; T54-R141 PolarHBondContact OG1-NH2 3.42Å
55K83.9Confident80.6Confident133 Ų13368.1 Ų68.158%0.57835%0.346SS*.Hα-helixtrans-62.7-39.6174.8-72.6-171.8178-1690112.8S52 T53 Y59S52-K55 PolarHBondContact O-N 2.88Å; T53-K55 PolarHBondContact O-N 3.48Å; K55-Y59 PolarHBondContact O-N 2.92Å; K55-Y59 VanDerWaalsContact O-N 3.14Å
56V84.1Confident81.6Confident2 Ų268.7 Ų68.71%0.01234%0.344CS..Hα-helixtrans-68.1-40.3175172.30000111.2L11 S52 T53 T54 Y59 L60 F137L11-V56 HydrophobicContact CD1-CG1 3.74Å; L11-V56 HydrophobicContact CD1-CG2 4.31Å; L11-V56 HydrophobicContact CD2-CG2 4.13Å; S52-V56 PolarHBondContact O-N 2.95Å; T53-V56 PolarHBondContact O-N 3.38Å; T54-V56 PolarHBondContact O-N 3.45Å; V56-Y59 PolarHBondContact O-N 3.45Å; V56-L60 HydrophobicContact CG1-CD1 4.11Å; V56-L60 WeakPolarHBondContact O-CG 3.03Å; V56-L60 PolarHBondContact O-N 3.32Å; V56-F137 HydrophobicContact CG1-CD2 4.31Å; V56-F137 HydrophobicContact CG1-CE2 4.21Å
57Q85.2Confident82.7Confident32 Ų3261.9 Ų61.915%0.1532%0.318CS..Hα-helixtrans-63.1-44.9175.6-73.9174.4-34.700112T53 T54 Y59 L60 I61 L134T53-Q57 WeakPolarHBondContact O-CG 3.37Å; T53-Q57 PolarHBondContact O-N 3.35Å; T54-Q57 PolarHBondContact O-N 2.98Å; Q57-Y59 PolarHBondContact O-N 3.47Å; Q57-L60 PolarHBondContact O-N 2.94Å; Q57-I61 WeakPolarHBondContact O-CB 3.41Å; Q57-I61 WeakPolarHBondContact O-CD1 3.49Å; Q57-I61 VanDerWaalsContact O-CG1 3.22Å; Q57-I61 WeakPolarHBondContact O-CG1 3.47Å; Q57-I61 PolarHBondContact O-N 2.9Å; Q57-L134 HydrophobicContact CG-CD1 4.33Å
58V88.4Confident83.8Confident74 Ų7462.8 Ų62.845%0.44833%0.325SS..Hα-helixtrans-61.1-43.6176.3169.90000111.6T54 L60 I61 L62T54-V58 HydrophobicContact CG2-CG2 4.49Å; T54-V58 WeakPolarHBondContact O-CG2 3.25Å; T54-V58 PolarHBondContact O-N 3.18Å; V58-L60 PolarHBondContact O-N 2.96Å; V58-I61 PolarHBondContact O-N 3.19Å; V58-L62 HydrophobicContact CG1-CD1 3.91Å; V58-L62 HydrophobicContact CG1-CG 4.45Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 VanDerWaalsContact O-CG 3.32Å; V58-L62 WeakPolarHBondContact O-CG 3.39Å; V58-L62 PolarHBondContact O-N 2.93Å
59Y90.7Very high85Confident16 Ų1658.9 Ų58.96%0.06331%0.311CS..Hα-helixtrans-59.9-44.4174.7172-89.5000112.5I15 F37 A40 C41 L44 K55 V56 Q57 L62 L63I15-Y59 HydrophobicContact CG2-CE1 4.38Å; F37-Y59 HydrophobicContact CB-CE2 4.47Å; F37-Y59 HydrophobicContact CD1-CD2 4.05Å; F37-Y59 AromaticContact CD1-CE2 3.5Å; F37-Y59 HydrophobicContact CD1-CE2 3.5Å; F37-Y59 AromaticContact CD1-CZ 3.8Å; F37-Y59 HydrophobicContact CE1-CD2 4.25Å; F37-Y59 HydrophobicContact CE1-CE2 4.16Å; F37-Y59 HydrophobicContact CG-CE2 4.36Å; F37-Y59 PolarHBondContact O-OH 3.01Å; A40-Y59 HydrophobicContact CB-CE2 4.12Å; C41-Y59 WeakPolarHBondContact CB-OH 3.5Å; L44-Y59 HydrophobicContact CD1-CD1 3.52Å; L44-Y59 HydrophobicContact CD1-CD2 3.83Å; L44-Y59 HydrophobicContact CD1-CE1 3.77Å; L44-Y59 HydrophobicContact CD1-CE2 4.04Å; L44-Y59 HydrophobicContact CD1-CG 3.55Å; L44-Y59 HydrophobicContact CD2-CD2 4.19Å; L44-Y59 HydrophobicContact CD2-CG 4.06Å; L44-Y59 HydrophobicContact CG-CD2 4.42Å; L44-Y59 HydrophobicContact CG-CG 4.39Å; K55-Y59 PolarHBondContact O-N 2.92Å; K55-Y59 VanDerWaalsContact O-N 3.14Å; V56-Y59 PolarHBondContact O-N 3.45Å; Q57-Y59 PolarHBondContact O-N 3.47Å; Y59-L62 PolarHBondContact O-N 3.38Å; Y59-L63 WeakPolarHBondContact O-CB 3.37Å; Y59-L63 PolarHBondContact O-N 3.02Å
60L89.3Confident86.3Confident0 Ų056.1 Ų56.10%029%0.291CS..Hα-helixtrans-66.8-39.7177.2-75.5170.3000112.4I15 V56 Q57 V58 L63 I64 L134 F137I15-L60 HydrophobicContact CD1-CD2 3.97Å; V56-L60 HydrophobicContact CG1-CD1 4.11Å; V56-L60 WeakPolarHBondContact O-CG 3.03Å; V56-L60 PolarHBondContact O-N 3.32Å; Q57-L60 PolarHBondContact O-N 2.94Å; V58-L60 PolarHBondContact O-N 2.96Å; L60-L63 PolarHBondContact O-N 2.7Å; L60-I64 WeakPolarHBondContact O-CB 3.3Å; L60-I64 WeakPolarHBondContact O-CD1 3.46Å; L60-I64 WeakPolarHBondContact O-CG1 3.18Å; L60-I64 PolarHBondContact O-N 3.34Å; L60-L134 HydrophobicContact CB-CB 4.46Å; L60-L134 HydrophobicContact CB-CD1 4.22Å; L60-L134 HydrophobicContact CD1-CB 4.48Å; L60-L134 HydrophobicContact CD1-CD1 4.48Å; L60-F137 HydrophobicContact CD1-CD2 3.61Å; L60-F137 HydrophobicContact CD1-CE2 4.08Å
61I91.1Very high87.3Confident81 Ų8152.6 Ų52.642%0.41527%0.268SS..Hα-helixtrans-62.7-45.8176.1-70.6162.7000110.3Q57 V58 L63 I64 T65 L134Q57-I61 WeakPolarHBondContact O-CB 3.41Å; Q57-I61 WeakPolarHBondContact O-CD1 3.49Å; Q57-I61 VanDerWaalsContact O-CG1 3.22Å; Q57-I61 WeakPolarHBondContact O-CG1 3.47Å; Q57-I61 PolarHBondContact O-N 2.9Å; V58-I61 PolarHBondContact O-N 3.19Å; I61-L63 VanDerWaalsContact C-N 3.34Å; I61-L63 PolarHBondContact O-N 3.04Å; I61-I64 PolarHBondContact O-N 3.32Å; I61-T65 WeakPolarHBondContact O-CG2 3.37Å; I61-T65 PolarHBondContact O-N 3.46Å; I61-T65 PolarHBondContact O-OG1 3.23Å; I61-L134 HydrophobicContact CG1-CD1 4.42Å; I61-L134 HydrophobicContact CG1-CD2 4.05Å
62L91.8Very high88.1Confident88 Ų8847 Ų4746%0.46125%0.253SS..Hα-helixtrans-63.1-37.4176.4-71.3168.4000112.7F37 V58 Y59 T65 L66F37-L62 HydrophobicContact CE1-CB 4.15Å; F37-L62 HydrophobicContact CZ-CB 4.05Å; V58-L62 HydrophobicContact CG1-CD1 3.91Å; V58-L62 HydrophobicContact CG1-CG 4.45Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 VanDerWaalsContact O-CG 3.32Å; V58-L62 WeakPolarHBondContact O-CG 3.39Å; V58-L62 PolarHBondContact O-N 2.93Å; Y59-L62 PolarHBondContact O-N 3.38Å; L62-T65 PolarHBondContact O-OG1 3.11Å; L62-T65 VanDerWaalsContact O-OG1 3.12Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 PolarHBondContact O-N 3.47Å; L62-L66 VanDerWaalsContact O-N 3.13Å
63L92.2Very high88.9Confident4 Ų447.5 Ų47.52%0.02126%0.256CS..Hα-helixtrans-68-37.8174.6-177.359.4000111.6L19 Y34 F37 Y59 L60 I61 S67 I126 A130L19-L63 HydrophobicContact CD2-CD1 4.12Å; L19-L63 HydrophobicContact CD2-CD2 4.45Å; Y34-L63 HydrophobicContact CD1-CD1 4.03Å; Y34-L63 HydrophobicContact CE1-CD1 4.04Å; F37-L63 HydrophobicContact CB-CD1 4.41Å; F37-L63 HydrophobicContact CD1-CB 3.97Å; F37-L63 HydrophobicContact CD1-CD1 3.91Å; F37-L63 HydrophobicContact CD1-CG 4.4Å; F37-L63 HydrophobicContact CE1-CB 3.86Å; F37-L63 HydrophobicContact CE1-CD1 4.38Å; F37-L63 HydrophobicContact CG-CD1 4.06Å; Y59-L63 WeakPolarHBondContact O-CB 3.37Å; Y59-L63 PolarHBondContact O-N 3.02Å; L60-L63 PolarHBondContact O-N 2.7Å; I61-L63 VanDerWaalsContact C-N 3.34Å; I61-L63 PolarHBondContact O-N 3.04Å; L63-S67 VanDerWaalsContact O-CB 3.3Å; L63-S67 WeakPolarHBondContact O-CB 3.3Å; L63-S67 PolarHBondContact O-N 3.48Å; L63-S67 PolarHBondContact O-OG 2.9Å; L63-I126 HydrophobicContact CD1-CG2 3.9Å; L63-I126 HydrophobicContact CD2-CG2 4.44Å; L63-I126 HydrophobicContact CG-CG2 4.12Å; L63-A130 HydrophobicContact CD2-CB 4.02Å; L63-A130 HydrophobicContact CG-CB 4.14Å
64I92.9Very high89.4Confident30 Ų3046 Ų4615%0.15425%0.247CC..Hα-helixtrans-68.5-44.1176-70.4162.8000111.1L60 I61 S67 C68 L127 A130 V131 L134L60-I64 WeakPolarHBondContact O-CB 3.3Å; L60-I64 WeakPolarHBondContact O-CD1 3.46Å; L60-I64 WeakPolarHBondContact O-CG1 3.18Å; L60-I64 PolarHBondContact O-N 3.34Å; I61-I64 PolarHBondContact O-N 3.32Å; I64-S67 PolarHBondContact O-OG 3.36Å; I64-C68 WeakPolarHBondContact O-CB 3.48Å; I64-C68 PolarHBondContact O-N 2.82Å; I64-L127 HydrophobicContact CG2-CD1 4.06Å; I64-A130 HydrophobicContact CD1-CB 4.37Å; I64-A130 HydrophobicContact CG1-CB 3.64Å; I64-V131 HydrophobicContact CD1-CG2 4.05Å; I64-V131 HydrophobicContact CG1-CG2 4.07Å; I64-V131 HydrophobicContact CG2-CG2 4.22Å; I64-L134 HydrophobicContact CD1-CB 3.85Å; I64-L134 HydrophobicContact CD1-CD2 3.54Å; I64-L134 HydrophobicContact CD1-CG 4.32Å
65T92.1Very high89.6Confident66 Ų6646 Ų4641%0.40525%0.248SC..Hα-helixtrans-65.2-42.7179.354.20000111.6I61 L62 C68 I69I61-T65 WeakPolarHBondContact O-CG2 3.37Å; I61-T65 PolarHBondContact O-N 3.46Å; I61-T65 PolarHBondContact O-OG1 3.23Å; L62-T65 PolarHBondContact O-OG1 3.11Å; L62-T65 VanDerWaalsContact O-OG1 3.12Å; T65-C68 PolarHBondContact O-N 3.35Å; T65-I69 WeakPolarHBondContact O-CD1 3.23Å; T65-I69 VanDerWaalsContact O-CG1 3.27Å; T65-I69 WeakPolarHBondContact O-CG1 3.29Å; T65-I69 PolarHBondContact O-N 3.08Å
66L91.6Very high89.7Confident53 Ų5343.2 Ų43.228%0.27724%0.242SC..Hα-helixtrans-68.9-45.6177.1-75.2167.4000112.8F37 L62 C68 I69 F70F37-L66 HydrophobicContact CE2-CD1 3.46Å; F37-L66 VanDerWaalsContact CE2-CD1 3.46Å; F37-L66 HydrophobicContact CZ-CD1 3.67Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 PolarHBondContact O-N 3.47Å; L62-L66 VanDerWaalsContact O-N 3.13Å; L66-C68 VanDerWaalsContact C-N 3.29Å; L66-C68 PolarHBondContact O-N 2.8Å; L66-I69 PolarHBondContact O-N 2.78Å; L66-F70 HydrophobicContact CB-CE2 4.08Å; L66-F70 HydrophobicContact CB-CZ 4.42Å; L66-F70 HydrophobicContact CD2-CZ 4.14Å; L66-F70 VanDerWaalsContact O-CD2 3.23Å; L66-F70 WeakPolarHBondContact O-CD2 2.97Å; L66-F70 VanDerWaalsContact O-CG 3.26Å; L66-F70 WeakPolarHBondContact O-CG 3.46Å; L66-F70 PolarHBondContact O-N 2.85Å
67S91.6Very high89.7Confident0 Ų044.7 Ų44.70%025%0.25CC..Hα-helixtrans-64-34.4175.2550000112.3Y34 L63 I64 F70 T71Y34-S67 WeakPolarHBondContact OH-CA 3.33Å; Y34-S67 WeakPolarHBondContact OH-CB 3.43Å; L63-S67 VanDerWaalsContact O-CB 3.3Å; L63-S67 WeakPolarHBondContact O-CB 3.3Å; L63-S67 PolarHBondContact O-N 3.48Å; L63-S67 PolarHBondContact O-OG 2.9Å; I64-S67 PolarHBondContact O-OG 3.36Å; S67-F70 PolarHBondContact O-N 3.35Å; S67-T71 WeakPolarHBondContact O-CG2 3.41Å; S67-T71 PolarHBondContact O-N 3.46Å; S67-T71 PolarHBondContact O-OG1 3.31Å
68C92.5Very high89.6Confident48 Ų4845 Ų4532%0.32425%0.251SS..Hα-helixtrans-59.9-50.8170-170.20000111.3I64 T65 L66 F70 T71 L72 L127I64-C68 WeakPolarHBondContact O-CB 3.48Å; I64-C68 PolarHBondContact O-N 2.82Å; T65-C68 PolarHBondContact O-N 3.35Å; L66-C68 VanDerWaalsContact C-N 3.29Å; L66-C68 PolarHBondContact O-N 2.8Å; C68-F70 VanDerWaalsContact C-N 3.31Å; C68-F70 PolarHBondContact O-N 2.8Å; C68-T71 WeakPolarHBondContact CA-OG1 3.44Å; C68-T71 PolarHBondContact O-N 2.8Å; C68-T71 PolarHBondContact O-OG1 3.44Å; C68-L72 WeakPolarHBondContact O-CB 3.49Å; C68-L72 VanDerWaalsContact O-CG 3.31Å; C68-L72 WeakPolarHBondContact O-CG 3.41Å; C68-L72 PolarHBondContact O-N 3Å; C68-L127 HydrophobicContact CB-CD1 4.44Å
69I91.5Very high89.4Confident101 Ų10146.3 Ų46.352%0.51826%0.255SS..Hα-helixtrans-56.5-43.9176.4-70.1162.1000111.3T65 L66 L72 S73T65-I69 WeakPolarHBondContact O-CD1 3.23Å; T65-I69 VanDerWaalsContact O-CG1 3.27Å; T65-I69 WeakPolarHBondContact O-CG1 3.29Å; T65-I69 PolarHBondContact O-N 3.08Å; L66-I69 PolarHBondContact O-N 2.78Å; I69-L72 PolarHBondContact O-N 3.3Å; I69-S73 WeakPolarHBondContact O-CB 3.33Å; I69-S73 PolarHBondContact O-N 3.1Å
70F92Very high89Confident18 Ų1849.7 Ų49.78%0.07928%0.277CS..Hα-helixtrans-69.7-42.5178.6-56.2-33.9000112.4F30 T33 Y34 L66 S67 C68 L72 S73F30-F70 HydrophobicContact CB-CD1 4.32Å; F30-F70 HydrophobicContact CB-CD2 4.08Å; F30-F70 HydrophobicContact CB-CE2 4.29Å; F30-F70 HydrophobicContact CB-CG 4.1Å; F30-F70 AromaticContact CD1-CD1 3.29Å; F30-F70 HydrophobicContact CD1-CD1 3.29Å; F30-F70 AromaticContact CD1-CE1 3.4Å; F30-F70 HydrophobicContact CD1-CE1 3.4Å; F30-F70 VanDerWaalsContact CD1-CE1 3.4Å; F30-F70 AromaticContact CD1-CG 3.91Å; F30-F70 HydrophobicContact CD1-CG 3.91Å; F30-F70 HydrophobicContact CD1-CZ 4.09Å; F30-F70 HydrophobicContact CD2-CB 4.11Å; F30-F70 HydrophobicContact CD2-CD1 4.25Å; F30-F70 HydrophobicContact CD2-CG 4.21Å; F30-F70 AromaticContact CE1-CD1 3.51Å; F30-F70 HydrophobicContact CE1-CD1 3.51Å; F30-F70 AromaticContact CE1-CE1 3.8Å; F30-F70 HydrophobicContact CE1-CE1 3.8Å; F30-F70 HydrophobicContact CE1-CG 4.39Å; F30-F70 HydrophobicContact CE2-CB 4.4Å; F30-F70 HydrophobicContact CE2-CD1 4.42Å; F30-F70 HydrophobicContact CG-CB 4.23Å; F30-F70 AromaticContact CG-CD1 3.7Å; F30-F70 HydrophobicContact CG-CD1 3.7Å; F30-F70 HydrophobicContact CG-CD2 4.3Å; F30-F70 HydrophobicContact CG-CE1 4.11Å; F30-F70 AromaticContact CG-CG 3.82Å; F30-F70 HydrophobicContact CG-CG 3.82Å; F30-F70 HydrophobicContact CZ-CD1 4.07Å; T33-F70 HydrophobicContact CG2-CZ 4.29Å; T33-F70 WeakPolarHBondContact OG1-CE2 3.5Å; T33-F70 WeakPolarHBondContact OG1-CZ 3.4Å; Y34-F70 HydrophobicContact CE1-CD2 4.06Å; Y34-F70 HydrophobicContact CE1-CE2 4.19Å; Y34-F70 HydrophobicContact CE2-CD2 4.41Å; Y34-F70 AromaticContact CZ-CD2 3.76Å; L66-F70 HydrophobicContact CB-CE2 4.08Å; L66-F70 HydrophobicContact CB-CZ 4.42Å; L66-F70 HydrophobicContact CD2-CZ 4.14Å; L66-F70 VanDerWaalsContact O-CD2 3.23Å; L66-F70 WeakPolarHBondContact O-CD2 2.97Å; L66-F70 VanDerWaalsContact O-CG 3.26Å; L66-F70 WeakPolarHBondContact O-CG 3.46Å; L66-F70 PolarHBondContact O-N 2.85Å; S67-F70 PolarHBondContact O-N 3.35Å; C68-F70 VanDerWaalsContact C-N 3.31Å; C68-F70 PolarHBondContact O-N 2.8Å; F70-L72 VanDerWaalsContact C-N 3.25Å; F70-L72 PolarHBondContact O-N 3.05Å; F70-S73 WeakPolarHBondContact O-CB 3.49Å; F70-S73 PolarHBondContact O-N 2.95Å; F70-S73 VanDerWaalsContact O-N 3.12Å; F70-S73 PolarHBondContact O-OG 2.65Å
71T89.2Confident88.5Confident28 Ų2850.1 Ų50.117%0.17228%0.279CS..Hα-helixtrans-59.6-34.7172.654.80000112.9S67 C68 P75 D123 I124 L127S67-T71 WeakPolarHBondContact O-CG2 3.41Å; S67-T71 PolarHBondContact O-N 3.46Å; S67-T71 PolarHBondContact O-OG1 3.31Å; C68-T71 WeakPolarHBondContact CA-OG1 3.44Å; C68-T71 PolarHBondContact O-N 2.8Å; C68-T71 PolarHBondContact O-OG1 3.44Å; T71-P75 WeakPolarHBondContact O-CD 3.45Å; T71-D123 HydrophobicContact CG2-CB 3.53Å; T71-I124 HydrophobicContact CG2-CG1 4.09Å; T71-L127 HydrophobicContact CG2-CB 4.5Å; T71-L127 HydrophobicContact CG2-CD2 4.04Å
72L90.3Very high87.9Confident96 Ų9650.9 Ų50.950%0.50329%0.288SS..Hα-helixtrans-78.8-23.9177.3-69.1171.9000112.8C68 I69 F70 H74 P75 T76C68-L72 WeakPolarHBondContact O-CB 3.49Å; C68-L72 VanDerWaalsContact O-CG 3.31Å; C68-L72 WeakPolarHBondContact O-CG 3.41Å; C68-L72 PolarHBondContact O-N 3Å; I69-L72 PolarHBondContact O-N 3.3Å; F70-L72 VanDerWaalsContact C-N 3.25Å; F70-L72 PolarHBondContact O-N 3.05Å; L72-H74 PolarHBondContact O-N 3.02Å; L72-P75 WeakPolarHBondContact O-CD 3.46Å; L72-T76 VanDerWaalsContact O-CB 3.24Å; L72-T76 WeakPolarHBondContact O-CB 3.2Å; L72-T76 PolarHBondContact O-N 2.66Å; L72-T76 PolarHBondContact O-OG1 2.98Å
73S88.2Confident87.4Confident25 Ų2552 Ų5218%0.17530%0.297CS..Hα-helixtrans-64.1-38.6-176.773.90000113.7F30 I69 F70 T76 L77 V105F30-S73 WeakPolarHBondContact CE2-OG 3.46Å; F30-S73 VanDerWaalsContact CZ-OG 3.23Å; F30-S73 WeakPolarHBondContact CZ-OG 3.32Å; I69-S73 WeakPolarHBondContact O-CB 3.33Å; I69-S73 PolarHBondContact O-N 3.1Å; F70-S73 WeakPolarHBondContact O-CB 3.49Å; F70-S73 PolarHBondContact O-N 2.95Å; F70-S73 VanDerWaalsContact O-N 3.12Å; F70-S73 PolarHBondContact O-OG 2.65Å; S73-T76 PolarHBondContact O-N 2.67Å; S73-L77 WeakPolarHBondContact O-CB 3.24Å; S73-L77 PolarHBondContact O-N 3.21Å; S73-V105 WeakPolarHBondContact OG-CG1 3.32Å
74H85.5Confident86.3Confident5 Ų554.1 Ų54.12%0.02332%0.316CS..Hα-helixtrans-66.9-51.6177.1-98.9-73.2000112.4L72 T76 L77 H78 G104L72-H74 PolarHBondContact O-N 3.02Å; H74-T76 VanDerWaalsContact C-N 3.32Å; H74-T76 PolarHBondContact O-N 3.37Å; H74-L77 PolarHBondContact O-N 3.19Å; H74-H78 PolarHBondContact O-N 2.87Å; H74-H78 VanDerWaalsContact O-N 3.08Å; H74-G104 PolarHBondContact NE2-O 2.79Å
75P86.8Confident84.8Confident66 Ų6658 Ų5843%0.42934%0.343SS..Hα-helixtrans-56-43.2169.5-27.335000112.8T71 L72 H78 I79T71-P75 WeakPolarHBondContact O-CD 3.45Å; L72-P75 WeakPolarHBondContact O-CD 3.46Å; P75-H78 PolarHBondContact O-N 2.95Å; P75-I79 WeakPolarHBondContact O-CB 3.47Å; P75-I79 VanDerWaalsContact O-CG1 3.25Å; P75-I79 WeakPolarHBondContact O-CG1 3.43Å; P75-I79 PolarHBondContact O-N 3.44Å
76T86.6Confident83.3Confident74 Ų7458.4 Ų58.445%0.45435%0.347SS..Hα-helixtrans-65.2-41.8-179.2-550000111.6L72 S73 H74 H78 I79 V80L72-T76 VanDerWaalsContact O-CB 3.24Å; L72-T76 WeakPolarHBondContact O-CB 3.2Å; L72-T76 PolarHBondContact O-N 2.66Å; L72-T76 PolarHBondContact O-OG1 2.98Å; S73-T76 PolarHBondContact O-N 2.67Å; H74-T76 VanDerWaalsContact C-N 3.32Å; H74-T76 PolarHBondContact O-N 3.37Å; T76-H78 PolarHBondContact O-N 3.24Å; T76-I79 PolarHBondContact O-N 3.06Å; T76-V80 WeakPolarHBondContact O-CB 3.36Å; T76-V80 WeakPolarHBondContact O-CG2 3.37Å; T76-V80 PolarHBondContact O-N 3.45Å
77L83.7Confident82Confident33 Ų3358.8 Ų58.817%0.17335%0.345CS..Hα-helixtrans-57.4-50.2171.7-179.176.6000110.4S73 H74 I79 V80 L81 L91 V105S73-L77 WeakPolarHBondContact O-CB 3.24Å; S73-L77 PolarHBondContact O-N 3.21Å; H74-L77 PolarHBondContact O-N 3.19Å; L77-I79 PolarHBondContact O-N 3.44Å; L77-V80 PolarHBondContact O-N 3.34Å; L77-L81 HydrophobicContact CD1-CD1 4.41Å; L77-L81 HydrophobicContact CD1-CG 4.48Å; L77-L81 HydrophobicContact CD2-CD1 4.08Å; L77-L81 HydrophobicContact CG-CD1 3.84Å; L77-L81 HydrophobicContact CG-CG 4.28Å; L77-L81 WeakPolarHBondContact O-CB 3.4Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 3.06Å; L77-L91 HydrophobicContact CD1-CD1 4.41Å; L77-L91 HydrophobicContact CD2-CD1 4.4Å; L77-V105 HydrophobicContact CD2-CB 3.95Å
78H83.6Confident80.6Confident38 Ų3865.6 Ų65.618%0.17638%0.377CS..Hα-helixtrans-66-35.9-178.4-89-85.9000112.9H74 P75 T76 L81 T82 Y87 L108H74-H78 PolarHBondContact O-N 2.87Å; H74-H78 VanDerWaalsContact O-N 3.08Å; P75-H78 PolarHBondContact O-N 2.95Å; T76-H78 PolarHBondContact O-N 3.24Å; H78-L81 PolarHBondContact O-N 3.14Å; H78-T82 WeakPolarHBondContact O-CG2 3.1Å; H78-T82 PolarHBondContact O-N 3.13Å; H78-T82 PolarHBondContact O-OG1 2.94Å; H78-T82 VanDerWaalsContact O-OG1 3.11Å; H78-Y87 PolarHBondContact CE1-OH 2.94Å; H78-Y87 PolarHBondContact ND1-OH 3.41Å; H78-L108 PolarHBondContact CE1-N 3Å; H78-L108 PolarHBondContact NE2-N 3.16Å; H78-L108 VanDerWaalsContact NE2-N 3.18Å
79I84.3Confident79.3Confident103 Ų10367.5 Ų67.553%0.52838%0.384SS..Hα-helixtrans-60.5-51.4171.2-70.3162000110.2P75 T76 L77 L81 T82 V83P75-I79 WeakPolarHBondContact O-CB 3.47Å; P75-I79 VanDerWaalsContact O-CG1 3.25Å; P75-I79 WeakPolarHBondContact O-CG1 3.43Å; P75-I79 PolarHBondContact O-N 3.44Å; T76-I79 PolarHBondContact O-N 3.06Å; L77-I79 PolarHBondContact O-N 3.44Å; I79-L81 VanDerWaalsContact C-N 3.33Å; I79-L81 PolarHBondContact O-N 2.97Å; I79-T82 WeakPolarHBondContact CA-OG1 3.45Å; I79-T82 PolarHBondContact O-N 3.08Å; I79-T82 VanDerWaalsContact O-N 3.11Å; I79-T82 PolarHBondContact O-OG1 3.28Å; I79-V83 HydrophobicContact CG2-CG2 4.35Å; I79-V83 WeakPolarHBondContact O-CB 3.17Å; I79-V83 VanDerWaalsContact O-CG2 3.31Å; I79-V83 WeakPolarHBondContact O-CG2 3.26Å; I79-V83 PolarHBondContact O-N 3.27Å
80V82.4Confident77.8Confident86 Ų8664.2 Ų64.252%0.52137%0.372SS..Hα-helixtrans-58.8-43.1177.8169.60000111.5T76 L77 T82 V83 A84T76-V80 WeakPolarHBondContact O-CB 3.36Å; T76-V80 WeakPolarHBondContact O-CG2 3.37Å; T76-V80 PolarHBondContact O-N 3.45Å; L77-V80 PolarHBondContact O-N 3.34Å; V80-T82 PolarHBondContact O-N 3.32Å; V80-V83 PolarHBondContact O-N 3.48Å; V80-A84 WeakPolarHBondContact O-CB 3.4Å; V80-A84 PolarHBondContact O-N 2.95Å
81L78.9Confident76.7Confident10 Ų1065.3 Ų65.35%0.05238%0.378CS..Hα-helixtrans-62.7-39.7175.4-69.9171000112.1L77 H78 I79 Y87 A90 L91L77-L81 HydrophobicContact CD1-CD1 4.41Å; L77-L81 HydrophobicContact CD1-CG 4.48Å; L77-L81 HydrophobicContact CD2-CD1 4.08Å; L77-L81 HydrophobicContact CG-CD1 3.84Å; L77-L81 HydrophobicContact CG-CG 4.28Å; L77-L81 WeakPolarHBondContact O-CB 3.4Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 3.06Å; H78-L81 PolarHBondContact O-N 3.14Å; I79-L81 VanDerWaalsContact C-N 3.33Å; I79-L81 PolarHBondContact O-N 2.97Å; L81-Y87 HydrophobicContact CB-CD2 3.76Å; L81-Y87 HydrophobicContact CB-CE2 3.63Å; L81-Y87 HydrophobicContact CD1-CE2 4.43Å; L81-A90 HydrophobicContact CD2-CB 3.46Å; L81-A90 VanDerWaalsContact CD2-CB 3.46Å; L81-L91 HydrophobicContact CD1-CD1 4.43Å; L81-L91 HydrophobicContact CD2-CD1 4.32Å
82T78.3Confident75.6Confident97 Ų9772.4 Ų72.460%0.59540%0.402SS*.Hα-helixtrans-72.3-26.9175.952.70000113.8H78 I79 V80 Y87H78-T82 WeakPolarHBondContact O-CG2 3.1Å; H78-T82 PolarHBondContact O-N 3.13Å; H78-T82 PolarHBondContact O-OG1 2.94Å; H78-T82 VanDerWaalsContact O-OG1 3.11Å; I79-T82 WeakPolarHBondContact CA-OG1 3.45Å; I79-T82 PolarHBondContact O-N 3.08Å; I79-T82 VanDerWaalsContact O-N 3.11Å; I79-T82 PolarHBondContact O-OG1 3.28Å; V80-T82 PolarHBondContact O-N 3.32Å; T82-Y87 HydrophobicContact CG2-CD2 4.44Å; T82-Y87 HydrophobicContact CG2-CE2 4.32Å
83V81Confident74.8Confident110 Ų11071.1 Ų71.167%0.66740%0.398SS*.Hα-helixtrans-83.9-16.7178.1171.50000112.1I79 V80 P85I79-V83 HydrophobicContact CG2-CG2 4.35Å; I79-V83 WeakPolarHBondContact O-CB 3.17Å; I79-V83 VanDerWaalsContact O-CG2 3.31Å; I79-V83 WeakPolarHBondContact O-CG2 3.26Å; I79-V83 PolarHBondContact O-N 3.27Å; V80-V83 PolarHBondContact O-N 3.48Å; V83-P85 VanDerWaalsContact C-CD 3.45Å; V83-P85 WeakPolarHBondContact O-CD 3.42Å
84A69.5Low74.3Confident49 Ų4973.2 Ų73.241%0.40541%0.412SS..SBendtrans-105.580.3176.900000112.1V80V80-A84 WeakPolarHBondContact O-CB 3.4Å; V80-A84 PolarHBondContact O-N 2.95Å
85P61.4Low73.9Confident112 Ų11279.9 Ų79.973%0.72744%0.443SS*.SBendtrans-69.1145.117530.1-35.6000111.6V83V83-P85 VanDerWaalsContact C-CD 3.45Å; V83-P85 WeakPolarHBondContact O-CD 3.42Å
86P60.6Low73.5Confident75 Ų7580.9 Ų80.949%0.48744%0.442SS..  cis-84.7132.4-4.233-32.5000112.4E88 N89P86-E88 PolarHBondContact O-N 3.31Å; P86-N89 HydrophobicContact CG-CB 4.25Å; P86-N89 PolarHBondContact O-N 3.49Å
87Y63.6Low73Confident60 Ų6078.7 Ų78.724%0.23543%0.432CS..THydrogen-bonded Turntrans-52.7-22.3176-175.3-101.8000113.5H78 L81 T82 R107 E109H78-Y87 PolarHBondContact CE1-OH 2.94Å; H78-Y87 PolarHBondContact ND1-OH 3.41Å; L81-Y87 HydrophobicContact CB-CD2 3.76Å; L81-Y87 HydrophobicContact CB-CE2 3.63Å; L81-Y87 HydrophobicContact CD1-CE2 4.43Å; T82-Y87 HydrophobicContact CG2-CD2 4.44Å; T82-Y87 HydrophobicContact CG2-CE2 4.32Å; Y87-R107 VanDerWaalsContact O-CZ 3.31Å; Y87-R107 PolarHBondContact O-NH1 3.14Å; Y87-R107 PolarHBondContact O-NH2 2.98Å; Y87-E109 WeakPolarHBondContact CE1-OE2 3.45Å
88E62.7Low72.7Confident143 Ų14379.1 Ų79.167%0.66844%0.438SS*.THydrogen-bonded Turntrans-70.7-26.5177.5-60.3-168.1136.100115.2P86P86-E88 PolarHBondContact O-N 3.31Å
89N64.8Low72.6Confident89 Ų8981.4 Ų81.448%0.47645%0.45SS..THydrogen-bonded Turntrans-97.6-21.4-171.1-77.5-25.8000114.8P86 R92P86-N89 HydrophobicContact CG-CB 4.25Å; P86-N89 PolarHBondContact O-N 3.49Å; N89-R92 VanDerWaalsContact O-CB 3.28Å; N89-R92 WeakPolarHBondContact O-CB 3.35Å; N89-R92 PolarHBondContact OD1-NH1 2.89Å
90A61.6Low72.4Confident32 Ų3277 Ų7726%0.26443%0.429SS..THydrogen-bonded Turntrans-72.3137.1177.200000111.9L81 R92 R107L81-A90 HydrophobicContact CD2-CB 3.46Å; L81-A90 VanDerWaalsContact CD2-CB 3.46Å; A90-R92 PolarHBondContact O-N 3.47Å; A90-R107 PolarHBondContact O-NH1 2.92Å
91L68.4Low72.3Confident41 Ų4174.3 Ų74.322%0.21542%0.416CS..THydrogen-bonded Turntrans58.630.8-176-59.1165.6000113.3L77 L81 E96 A100L77-L91 HydrophobicContact CD1-CD1 4.41Å; L77-L91 HydrophobicContact CD2-CD1 4.4Å; L81-L91 HydrophobicContact CD1-CD1 4.43Å; L81-L91 HydrophobicContact CD2-CD1 4.32Å; L91-E96 HydrophobicContact CD2-CB 4.13Å; L91-E96 PolarHBondContact N-OE2 3.01Å; L91-A100 HydrophobicContact CD2-CB 3.82Å
92R65.7Low72.4Confident176 Ų17675.4 Ų75.466%0.66442%0.42SS*.  trans-85.3-24.6-176.4-167.3174.5-176.1176.63.7113.4N89 A90N89-R92 VanDerWaalsContact O-CB 3.28Å; N89-R92 WeakPolarHBondContact O-CB 3.35Å; N89-R92 PolarHBondContact OD1-NH1 2.89Å; A90-R92 PolarHBondContact O-N 3.47Å
93T74.4Confident72.7Confident69 Ų6975.2 Ų75.242%0.42342%0.415SS..SBendtrans-73.7142.9170.768.50000110.2E95 E96 A97T93-E95 PolarHBondContact O-N 3.19Å; T93-E96 VanDerWaalsContact CG2-OE1 3.32Å; T93-E96 WeakPolarHBondContact CG2-OE1 3.5Å; T93-E96 PolarHBondContact O-N 3.49Å; T93-E96 WeakPolarHBondContact OG1-CB 3.19Å; T93-E96 WeakPolarHBondContact OG1-CG 3.11Å; T93-E96 PolarHBondContact OG1-N 2.85Å; T93-E96 PolarHBondContact OG1-OE1 2.7Å; T93-A97 WeakPolarHBondContact O-CB 3.33Å; T93-A97 PolarHBondContact O-N 3.26Å; T93-A97 VanDerWaalsContact O-N 3.07Å
94C76.6Confident72.8Confident70 Ų7070 Ų7047%0.47338%0.384SS..Hα-helixtrans-59.7-33.6179.7-1780000112.3S98 C306C94-S98 VanDerWaalsContact O-CB 3.28Å; C94-S98 WeakPolarHBondContact O-CB 3.29Å; C94-S98 PolarHBondContact O-N 3.26Å; C94-S98 PolarHBondContact O-OG 3.16Å; C94-C306 WeakPolarHBondContact CA-SG 3.48Å; C94-C306 HydrophobicContact CB-CB 4.44Å; C94-C306 WeakPolarHBondContact CB-SG 3.35Å; C94-C306 WeakPolarHBondContact SG-CB 3.14Å; C94-C306 CovalentContact SG-SG 2.03Å; C94-C306 PolarHBondContact SG-SG 3.07Å
95E76.4Confident73.5Confident144 Ų14468.6 Ų68.667%0.67337%0.37SS*.Hα-helixtrans-67.7-56.2179.6-171.1164.1-169.600111.4T93 A97 S98 I99T93-E95 PolarHBondContact O-N 3.19Å; E95-A97 VanDerWaalsContact C-N 3.34Å; E95-A97 PolarHBondContact O-N 2.9Å; E95-S98 PolarHBondContact O-N 2.91Å; E95-S98 VanDerWaalsContact O-N 3.07Å; E95-S98 PolarHBondContact O-OG 2.77Å; E95-I99 HydrophobicContact CG-CD1 3.94Å; E95-I99 WeakPolarHBondContact O-CG1 2.98Å; E95-I99 PolarHBondContact O-N 3.11Å
96E78.3Confident74.4Confident87 Ų8764.8 Ų64.841%0.40734%0.343SS..Hα-helixtrans-54-47.9174.6-73.3162.6-121.100112.2L91 T93 S98 I99 A100L91-E96 HydrophobicContact CD2-CB 4.13Å; L91-E96 PolarHBondContact N-OE2 3.01Å; T93-E96 VanDerWaalsContact CG2-OE1 3.32Å; T93-E96 WeakPolarHBondContact CG2-OE1 3.5Å; T93-E96 PolarHBondContact O-N 3.49Å; T93-E96 WeakPolarHBondContact OG1-CB 3.19Å; T93-E96 WeakPolarHBondContact OG1-CG 3.11Å; T93-E96 PolarHBondContact OG1-N 2.85Å; T93-E96 PolarHBondContact OG1-OE1 2.7Å; E96-S98 VanDerWaalsContact C-N 3.26Å; E96-S98 PolarHBondContact O-N 3.14Å; E96-I99 PolarHBondContact O-N 3.29Å; E96-A100 WeakPolarHBondContact O-CB 3.49Å; E96-A100 PolarHBondContact O-N 2.94Å
97A76.8Confident75.3Confident29 Ų2964 Ų6424%0.2433%0.33CS..Hα-helixtrans-61-36.5179.300000112.1T93 E95 A101T93-A97 WeakPolarHBondContact O-CB 3.33Å; T93-A97 PolarHBondContact O-N 3.26Å; T93-A97 VanDerWaalsContact O-N 3.07Å; E95-A97 VanDerWaalsContact C-N 3.34Å; E95-A97 PolarHBondContact O-N 2.9Å; A97-A101 VanDerWaalsContact O-CB 3.32Å; A97-A101 WeakPolarHBondContact O-CB 3.29Å; A97-A101 PolarHBondContact O-N 3.27Å
98S77.4Confident75.9Confident42 Ų4263.3 Ų63.329%0.29433%0.33SS..Hα-helixtrans-72.8-37.3175.881.70000112.5C94 E95 E96 Q102C94-S98 VanDerWaalsContact O-CB 3.28Å; C94-S98 WeakPolarHBondContact O-CB 3.29Å; C94-S98 PolarHBondContact O-N 3.26Å; C94-S98 PolarHBondContact O-OG 3.16Å; E95-S98 PolarHBondContact O-N 2.91Å; E95-S98 VanDerWaalsContact O-N 3.07Å; E95-S98 PolarHBondContact O-OG 2.77Å; E96-S98 VanDerWaalsContact C-N 3.26Å; E96-S98 PolarHBondContact O-N 3.14Å; S98-Q102 WeakPolarHBondContact O-CB 3.37Å; S98-Q102 WeakPolarHBondContact O-CG 3.34Å; S98-Q102 PolarHBondContact O-N 3.07Å; S98-Q102 PolarHBondContact O-NE2 2.89Å
99I81.3Confident76.4Confident86 Ų8661.7 Ų61.744%0.44132%0.322SS..Hα-helixtrans-68.1-46.1179.4-69.3163.6000110E95 E96 A101 Q102 I103E95-I99 HydrophobicContact CG-CD1 3.94Å; E95-I99 WeakPolarHBondContact O-CG1 2.98Å; E95-I99 PolarHBondContact O-N 3.11Å; E96-I99 PolarHBondContact O-N 3.29Å; I99-A101 PolarHBondContact O-N 3.23Å; I99-Q102 WeakPolarHBondContact O-CB 3.33Å; I99-Q102 PolarHBondContact O-N 2.94Å; I99-I103 HydrophobicContact CG2-CD1 4.22Å; I99-I103 WeakPolarHBondContact O-CG1 3.46Å; I99-I103 PolarHBondContact O-N 2.8Å
100A81.1Confident76.7Confident11 Ų1161.5 Ų61.59%0.09134%0.342CS..Hα-helixtrans-59.4-47.3175.800000111.4L91 E96 Q102 I103 G104 V105L91-A100 HydrophobicContact CD2-CB 3.82Å; E96-A100 WeakPolarHBondContact O-CB 3.49Å; E96-A100 PolarHBondContact O-N 2.94Å; A100-Q102 VanDerWaalsContact C-N 3.31Å; A100-Q102 PolarHBondContact O-N 3.3Å; A100-I103 PolarHBondContact O-N 3.45Å; A100-G104 PolarHBondContact O-N 3.43Å; A100-V105 CarbonylContact C-O 3.6Å; A100-V105 VanDerWaalsContact CB-O 3.29Å; A100-V105 WeakPolarHBondContact CB-O 3.18Å; A100-V105 PolarHBondContact O-N 2.77Å
101A79.6Confident77.3Confident28 Ų2861.2 Ų61.223%0.23134%0.335CS..Hα-helixtrans-62.3-35.617700000112.9A97 I99 G104 V105 Q106A97-A101 VanDerWaalsContact O-CB 3.32Å; A97-A101 WeakPolarHBondContact O-CB 3.29Å; A97-A101 PolarHBondContact O-N 3.27Å; I99-A101 PolarHBondContact O-N 3.23Å; A101-G104 PolarHBondContact O-N 2.79Å; A101-V105 PolarHBondContact N-O 3.31Å; A101-Q106 HydrophobicContact CB-CB 4.47Å; A101-Q106 HydrophobicContact CB-CG 4.43Å
102Q80.7Confident77.8Confident33 Ų3363.5 Ų63.515%0.15435%0.347CS..Hα-helixtrans-67.4-38.7174.4-78.3168.17200112.7N28 G29 S98 I99 A100 F279 F281N28-Q102 CarbonylContact C-O 3.41Å; N28-Q102 WeakPolarHBondContact CA-O 3.42Å; G29-Q102 PolarHBondContact N-O 2.88Å; S98-Q102 WeakPolarHBondContact O-CB 3.37Å; S98-Q102 WeakPolarHBondContact O-CG 3.34Å; S98-Q102 PolarHBondContact O-N 3.07Å; S98-Q102 PolarHBondContact O-NE2 2.89Å; I99-Q102 WeakPolarHBondContact O-CB 3.33Å; I99-Q102 PolarHBondContact O-N 2.94Å; A100-Q102 VanDerWaalsContact C-N 3.31Å; A100-Q102 PolarHBondContact O-N 3.3Å; Q102-F279 HydrophobicContact CB-CD1 4.41Å; Q102-F279 HydrophobicContact CG-CD1 4.42Å; Q102-F281 VanDerWaalsContact OE1-CD1 3.29Å
103I84.4Confident78.5Confident93 Ų9359.5 Ų59.548%0.47734%0.344SS..Hα-helixtrans-63-47.3171.5-66.6164.7000109.5G29 F30 I99 A100 V105G29-I103 VanDerWaalsContact CA-O 3.26Å; G29-I103 WeakPolarHBondContact CA-O 3.43Å; G29-I103 PolarHBondContact N-O 3.49Å; G29-I103 VanDerWaalsContact N-O 3.08Å; F30-I103 WeakPolarHBondContact CD1-O 3.25Å; F30-I103 HydrophobicContact CE1-CG2 4.13Å; F30-I103 PolarHBondContact N-O 2.85Å; I99-I103 HydrophobicContact CG2-CD1 4.22Å; I99-I103 WeakPolarHBondContact O-CG1 3.46Å; I99-I103 PolarHBondContact O-N 2.8Å; A100-I103 PolarHBondContact O-N 3.45Å; I103-V105 HydrophobicContact CG2-CG2 4.49Å
104G83.1Confident79Confident1 Ų162.5 Ų62.51%0.0135%0.348CS..THydrogen-bonded Turntrans139.51.7172.500000115.4N28 H74 A100 A101N28-G104 VanDerWaalsContact ND2-CA 3.26Å; N28-G104 WeakPolarHBondContact ND2-CA 3.22Å; H74-G104 PolarHBondContact NE2-O 2.79Å; A100-G104 PolarHBondContact O-N 3.43Å; A101-G104 PolarHBondContact O-N 2.79Å
105V84.4Confident79.2Confident19 Ų1960.8 Ų60.812%0.11533%0.332CS..  trans-110.1128.4-179.5-810000110.4F30 S73 L77 A100 A101 I103F30-V105 HydrophobicContact CE2-CG1 3.94Å; F30-V105 HydrophobicContact CZ-CG1 3.83Å; S73-V105 WeakPolarHBondContact OG-CG1 3.32Å; L77-V105 HydrophobicContact CD2-CB 3.95Å; A100-V105 CarbonylContact C-O 3.6Å; A100-V105 VanDerWaalsContact CB-O 3.29Å; A100-V105 WeakPolarHBondContact CB-O 3.18Å; A100-V105 PolarHBondContact O-N 2.77Å; A101-V105 PolarHBondContact N-O 3.31Å; I103-V105 HydrophobicContact CG2-CG2 4.49Å
106Q80.3Confident79.4Confident33 Ų3355 Ų5515%0.15431%0.309CS..  trans-142144.5-176.6-170.916639.700110.4A101 L108 L119A101-Q106 HydrophobicContact CB-CB 4.47Å; A101-Q106 HydrophobicContact CB-CG 4.43Å; Q106-L108 PolarHBondContact O-N 3.47Å; Q106-L119 HydrophobicContact CB-CD2 3.82Å
107R79Confident79.7Confident57 Ų5756.4 Ų56.422%0.21532%0.317CS..  trans-56119172.8-177.2179.9-176.6138.21109.4Y87 A90 E109Y87-R107 VanDerWaalsContact O-CZ 3.31Å; Y87-R107 PolarHBondContact O-NH1 3.14Å; Y87-R107 PolarHBondContact O-NH2 2.98Å; A90-R107 PolarHBondContact O-NH1 2.92Å; R107-E109 HydrophobicContact CG-CB 4.16Å; R107-E109 IonicContact CZ-OE2 3.22Å; R107-E109 IonicContact NE-OE2 2.9Å; R107-E109 PolarHBondContact NE-OE2 3.05Å; R107-E109 IonicContact NH2-OE2 2.69Å; R107-E109 PolarHBondContact NH2-OE2 3.21Å
108L77.5Confident80.1Confident47 Ų4758 Ų5825%0.24632%0.317CS..  trans-82.8-12.3-175.3-68.1167.6000114.3H78 Q106 M111 A116 V120H78-L108 PolarHBondContact CE1-N 3Å; H78-L108 PolarHBondContact NE2-N 3.16Å; H78-L108 VanDerWaalsContact NE2-N 3.18Å; Q106-L108 PolarHBondContact O-N 3.47Å; L108-M111 HydrophobicContact CD2-CE 3.83Å; L108-M111 PolarHBondContact O-N 3.37Å; L108-A116 HydrophobicContact CD2-CB 3.97Å; L108-V120 HydrophobicContact CD1-CG2 4.24Å; L108-V120 HydrophobicContact CD2-CG2 4.28Å
109E72Confident80.3Confident108 Ų10856.6 Ų56.651%0.50531%0.306SS..THydrogen-bonded Turntrans-64.3143.8-179.4-176.2179.4-125.100112.5Y87 R107 M111Y87-E109 WeakPolarHBondContact CE1-OE2 3.45Å; R107-E109 HydrophobicContact CG-CB 4.16Å; R107-E109 IonicContact CZ-OE2 3.22Å; R107-E109 IonicContact NE-OE2 2.9Å; R107-E109 PolarHBondContact NE-OE2 3.05Å; R107-E109 IonicContact NH2-OE2 2.69Å; R107-E109 PolarHBondContact NH2-OE2 3.21Å; E109-M111 PolarHBondContact O-N 2.77Å; E109-M111 VanDerWaalsContact O-N 3.07Å
110G71.3Confident80.4Confident86 Ų8654.5 Ų54.589%0.88730%0.297SS*.THydrogen-bonded Turntrans71-7.3-179.200000115.2
111M74Confident80.7Confident25 Ų2559.2 Ų59.212%0.12332%0.32CS..  trans-81.5137.3175.3-72.2-150-72.900112.3L108 E109 R115 L119L108-M111 HydrophobicContact CD2-CE 3.83Å; L108-M111 PolarHBondContact O-N 3.37Å; E109-M111 PolarHBondContact O-N 2.77Å; E109-M111 VanDerWaalsContact O-N 3.07Å; M111-R115 HydrophobicContact CB-CB 4.36Å; M111-R115 HydrophobicContact SD-CB 4.1Å; M111-L119 HydrophobicContact CE-CD1 4.47Å; M111-L119 HydrophobicContact CE-CD2 4.27Å
112L80Confident81.1Confident90 Ų9058.4 Ų58.447%0.47131%0.312SS..  trans-53.9141.3168.4-74.8144.8000110.7Y114 R115 A116L112-Y114 VanDerWaalsContact C-N 3.27Å; L112-Y114 HydrophobicContact CB-CD1 3.8Å; L112-Y114 HydrophobicContact CB-CE1 3.59Å; L112-Y114 HydrophobicContact CD1-CE1 3.94Å; L112-Y114 HydrophobicContact CD2-CE1 4.5Å; L112-Y114 HydrophobicContact CG-CE1 4.21Å; L112-Y114 PolarHBondContact O-N 3.3Å; L112-Y114 VanDerWaalsContact O-N 3.13Å; L112-R115 HydrophobicContact CB-CG 4.23Å; L112-R115 WeakPolarHBondContact O-CA 3.36Å; L112-R115 WeakPolarHBondContact O-CB 3.46Å; L112-R115 PolarHBondContact O-N 3.45Å; L112-A116 PolarHBondContact O-N 2.98Å
113P80.6Confident81.5Confident91 Ų9156.9 Ų56.959%0.59131%0.305SS*.Hα-helixtrans-59.3-34.6-169.620.4-32.6000113.3R115 A116 M117P113-R115 VanDerWaalsContact C-N 3.29Å; P113-R115 PolarHBondContact O-N 3.3Å; P113-A116 PolarHBondContact O-N 2.85Å; P113-M117 WeakPolarHBondContact O-CB 3.14Å; P113-M117 VanDerWaalsContact O-CG 3.28Å; P113-M117 WeakPolarHBondContact O-CG 3.47Å; P113-M117 PolarHBondContact O-N 3.14Å
114Y84.4Confident81.7Confident132 Ų13256.8 Ų56.852%0.51831%0.305SS..Hα-helixtrans-65.9-28.4175.480.5-91.5000113.2L112 R118L112-Y114 VanDerWaalsContact C-N 3.27Å; L112-Y114 HydrophobicContact CB-CD1 3.8Å; L112-Y114 HydrophobicContact CB-CE1 3.59Å; L112-Y114 HydrophobicContact CD1-CE1 3.94Å; L112-Y114 HydrophobicContact CD2-CE1 4.5Å; L112-Y114 HydrophobicContact CG-CE1 4.21Å; L112-Y114 PolarHBondContact O-N 3.3Å; L112-Y114 VanDerWaalsContact O-N 3.13Å; Y114-R118 WeakPolarHBondContact O-CB 3.39Å; Y114-R118 PolarHBondContact O-N 2.97Å
115R81.6Confident82Confident34 Ų3461.1 Ų61.113%0.12832%0.324CS..Hα-helixtrans-73.8-43.5175-59.7-176.9-175-161.8-2.5110.5M111 L112 P113 R118 L119 E311M111-R115 HydrophobicContact CB-CB 4.36Å; M111-R115 HydrophobicContact SD-CB 4.1Å; L112-R115 HydrophobicContact CB-CG 4.23Å; L112-R115 WeakPolarHBondContact O-CA 3.36Å; L112-R115 WeakPolarHBondContact O-CB 3.46Å; L112-R115 PolarHBondContact O-N 3.45Å; P113-R115 VanDerWaalsContact C-N 3.29Å; P113-R115 PolarHBondContact O-N 3.3Å; R115-R118 WeakPolarHBondContact O-CB 3.37Å; R115-R118 PolarHBondContact O-N 3.28Å; R115-L119 VanDerWaalsContact O-CD1 3.27Å; R115-L119 WeakPolarHBondContact O-CD1 3.3Å; R115-L119 PolarHBondContact O-N 2.8Å; R115-E311 IonicContact CZ-OE2 3.62Å; R115-E311 VanDerWaalsContact CZ-OE2 3.23Å; R115-E311 IonicContact NH1-OE2 2.75Å; R115-E311 PolarHBondContact NH1-OE2 2.81Å; R115-E311 IonicContact NH2-OE2 3.22Å; R115-E311 PolarHBondContact NH2-OE2 2.86Å
116A80.4Confident82.3Confident24 Ų2460.3 Ų60.320%0.19832%0.319CS..Hα-helixtrans-59.1-45.9172.200000111.6L108 L112 P113 R118 L119 V120L108-A116 HydrophobicContact CD2-CB 3.97Å; L112-A116 PolarHBondContact O-N 2.98Å; P113-A116 PolarHBondContact O-N 2.85Å; A116-R118 PolarHBondContact O-N 3.33Å; A116-L119 PolarHBondContact O-N 3.36Å; A116-V120 PolarHBondContact O-N 3.46Å
117M84.4Confident82.9Confident115 Ų11560.7 Ų60.757%0.56732%0.321SS*.Hα-helixtrans-59.2-42.6173.4-72172.317800112.2P113 L119 V120 L121P113-M117 WeakPolarHBondContact O-CB 3.14Å; P113-M117 VanDerWaalsContact O-CG 3.28Å; P113-M117 WeakPolarHBondContact O-CG 3.47Å; P113-M117 PolarHBondContact O-N 3.14Å; M117-L119 PolarHBondContact O-N 2.78Å; M117-V120 PolarHBondContact O-N 3.42Å; M117-L121 WeakPolarHBondContact O-CB 3.45Å; M117-L121 PolarHBondContact O-N 3.09Å
118R85.1Confident83.5Confident63 Ų6360.8 Ų60.824%0.23833%0.331CS..Hα-helixtrans-58.9-31.7177-164.4-169.767.6-142.9-7.5112.8V25 Y114 R115 A116 P122 G310V25-R118 HydrophobicContact CG1-CG 3.62Å; Y114-R118 WeakPolarHBondContact O-CB 3.39Å; Y114-R118 PolarHBondContact O-N 2.97Å; R115-R118 WeakPolarHBondContact O-CB 3.37Å; R115-R118 PolarHBondContact O-N 3.28Å; A116-R118 PolarHBondContact O-N 3.33Å; R118-P122 WeakPolarHBondContact O-CD 3.45Å; R118-P122 WeakPolarHBondContact O-CG 3.25Å; R118-G310 PolarHBondContact NH1-O 2.83Å; R118-G310 PolarHBondContact NH2-O 2.73Å
119L80.5Confident84Confident13 Ų1359.7 Ų59.77%0.06833%0.326CS..Hα-helixtrans-77.6-50.6174.7-87.175.7000111.9R26 Q106 M111 R115 A116 M117R26-L119 PolarHBondContact NH1-O 3.37Å; Q106-L119 HydrophobicContact CB-CD2 3.82Å; M111-L119 HydrophobicContact CE-CD1 4.47Å; M111-L119 HydrophobicContact CE-CD2 4.27Å; R115-L119 VanDerWaalsContact O-CD1 3.27Å; R115-L119 WeakPolarHBondContact O-CD1 3.3Å; R115-L119 PolarHBondContact O-N 2.8Å; A116-L119 PolarHBondContact O-N 3.36Å; M117-L119 PolarHBondContact O-N 2.78Å
120V84.4Confident84.9Confident41 Ų4154.6 Ų54.625%0.24830%0.303CS..Hα-helixtrans-90.9-38.3-166.2-176.70000114.3L108 A116 M117 D123 I124L108-V120 HydrophobicContact CD1-CG2 4.24Å; L108-V120 HydrophobicContact CD2-CG2 4.28Å; A116-V120 PolarHBondContact O-N 3.46Å; M117-V120 PolarHBondContact O-N 3.42Å; V120-D123 PolarHBondContact O-N 3.25Å; V120-I124 HydrophobicContact CG1-CD1 4.07Å
121L86.6Confident85.8Confident111 Ų11153.5 Ų53.558%0.58128%0.278SS*.Hα-helixtrans-56-38.6-176.9-165.286.5000114.1M117 D123 I124 F125M117-L121 WeakPolarHBondContact O-CB 3.45Å; M117-L121 PolarHBondContact O-N 3.09Å; L121-D123 PolarHBondContact O-N 3.11Å; L121-I124 PolarHBondContact O-N 2.74Å; L121-F125 WeakPolarHBondContact O-CB 3.42Å; L121-F125 PolarHBondContact O-N 3.15Å
122P87.8Confident86.5Confident10 Ų1055 Ų557%0.06530%0.295CS..Hα-helixtrans-61.1-35.8-176.3-26.837.2000115V22 V25 R26 R118 F125 I126V22-P122 HydrophobicContact CB-CB 4.11Å; V22-P122 HydrophobicContact CG1-CB 3.55Å; V22-P122 HydrophobicContact CG2-CB 3.66Å; V25-P122 HydrophobicContact CG1-CG 4.01Å; R26-P122 HydrophobicContact CG-CG 4.49Å; R118-P122 WeakPolarHBondContact O-CD 3.45Å; R118-P122 WeakPolarHBondContact O-CG 3.25Å; P122-F125 PolarHBondContact O-N 3.47Å; P122-I126 PolarHBondContact O-N 3.35Å
123D88.7Confident86.7Confident1 Ų150.8 Ų50.81%0.00527%0.273CS..Hα-helixtrans-71-43.1178.3-67-49.8000111.5R26 Y34 T71 V120 L121 F125 I126 L127R26-D123 IonicContact CZ-OD1 3.74Å; R26-D123 IonicContact CZ-OD2 2.67Å; R26-D123 IonicContact NH1-OD1 3.76Å; R26-D123 IonicContact NH1-OD2 2.72Å; R26-D123 PolarHBondContact NH1-OD2 2.87Å; R26-D123 VanDerWaalsContact NH2-CG 3.33Å; R26-D123 IonicContact NH2-OD1 3.23Å; R26-D123 PolarHBondContact NH2-OD1 2.75Å; R26-D123 IonicContact NH2-OD2 2.69Å; R26-D123 PolarHBondContact NH2-OD2 3.26Å; Y34-D123 WeakPolarHBondContact CE2-OD1 3.24Å; Y34-D123 VanDerWaalsContact CZ-OD1 3.29Å; Y34-D123 PolarHBondContact OH-OD1 3.2Å; T71-D123 HydrophobicContact CG2-CB 3.53Å; V120-D123 PolarHBondContact O-N 3.25Å; L121-D123 PolarHBondContact O-N 3.11Å; D123-F125 VanDerWaalsContact C-N 3.26Å; D123-F125 PolarHBondContact O-N 3.47Å; D123-I126 PolarHBondContact O-N 3.24Å; D123-L127 WeakPolarHBondContact O-CB 3.16Å; D123-L127 PolarHBondContact O-N 3.39Å
124I89.6Confident87Confident91 Ų9148.3 Ų48.347%0.46726%0.255SS..Hα-helixtrans-60-41.1175.3-58.4175.1000109.9T71 V120 L121 L127 S128T71-I124 HydrophobicContact CG2-CG1 4.09Å; V120-I124 HydrophobicContact CG1-CD1 4.07Å; L121-I124 PolarHBondContact O-N 2.74Å; I124-L127 PolarHBondContact O-N 2.84Å; I124-S128 WeakPolarHBondContact O-CB 3.42Å; I124-S128 PolarHBondContact O-N 3.21Å; I124-S128 PolarHBondContact O-OG 3.45Å
125F89.7Confident87.2Confident92 Ų9244.9 Ų44.940%0.40425%0.247SC..Hα-helixtrans-65.9-47.9179.2-169.6-127.5000112V18 L121 P122 D123 L127 S128 V129V18-F125 HydrophobicContact CB-CE1 4.31Å; V18-F125 HydrophobicContact CG1-CD1 3.76Å; V18-F125 HydrophobicContact CG1-CE1 3.76Å; V18-F125 HydrophobicContact CG2-CE1 3.82Å; V18-F125 HydrophobicContact CG2-CZ 4.16Å; L121-F125 WeakPolarHBondContact O-CB 3.42Å; L121-F125 PolarHBondContact O-N 3.15Å; P122-F125 PolarHBondContact O-N 3.47Å; D123-F125 VanDerWaalsContact C-N 3.26Å; D123-F125 PolarHBondContact O-N 3.47Å; F125-L127 PolarHBondContact O-N 2.91Å; F125-S128 PolarHBondContact O-N 3.08Å; F125-S128 PolarHBondContact O-OG 3.43Å; F125-V129 HydrophobicContact CD2-CG2 4.44Å; F125-V129 HydrophobicContact CE2-CG2 4.21Å; F125-V129 HydrophobicContact CZ-CG2 4.43Å; F125-V129 WeakPolarHBondContact O-CG2 3.46Å; F125-V129 PolarHBondContact O-N 2.94Å
126I91Very high87.3Confident3 Ų345.9 Ų45.92%0.01525%0.251CS..Hα-helixtrans-59.3-47173.9-77.2169000111.4V18 L19 V22 Y34 L63 P122 D123 S128 V129 A130V18-I126 HydrophobicContact CG1-CG1 3.99Å; L19-I126 HydrophobicContact CD2-CD1 3.91Å; L19-I126 HydrophobicContact CD2-CG1 4.38Å; V22-I126 HydrophobicContact CB-CD1 3.69Å; V22-I126 HydrophobicContact CB-CG1 4.5Å; V22-I126 HydrophobicContact CG1-CD1 3.75Å; V22-I126 HydrophobicContact CG2-CD1 3.51Å; V22-I126 HydrophobicContact CG2-CG1 3.8Å; Y34-I126 HydrophobicContact CD1-CD1 3.89Å; Y34-I126 HydrophobicContact CD2-CD1 3.48Å; Y34-I126 VanDerWaalsContact CD2-CD1 3.48Å; Y34-I126 HydrophobicContact CE1-CD1 3.84Å; Y34-I126 HydrophobicContact CE1-CG2 3.98Å; Y34-I126 HydrophobicContact CE2-CD1 3.39Å; Y34-I126 HydrophobicContact CG-CD1 3.72Å; L63-I126 HydrophobicContact CD1-CG2 3.9Å; L63-I126 HydrophobicContact CD2-CG2 4.44Å; L63-I126 HydrophobicContact CG-CG2 4.12Å; P122-I126 PolarHBondContact O-N 3.35Å; D123-I126 PolarHBondContact O-N 3.24Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 3.16Å; I126-V129 PolarHBondContact O-N 3.12Å; I126-A130 VanDerWaalsContact O-CB 3.23Å; I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 3.03Å
127L92.1Very high87.3Confident40 Ų4045.7 Ų45.721%0.20925%0.246CC..Hα-helixtrans-57.6-46.5179.4-178.761.4000110.8I64 C68 T71 D123 I124 F125 V129 A130 V131I64-L127 HydrophobicContact CG2-CD1 4.06Å; C68-L127 HydrophobicContact CB-CD1 4.44Å; T71-L127 HydrophobicContact CG2-CB 4.5Å; T71-L127 HydrophobicContact CG2-CD2 4.04Å; D123-L127 WeakPolarHBondContact O-CB 3.16Å; D123-L127 PolarHBondContact O-N 3.39Å; I124-L127 PolarHBondContact O-N 2.84Å; F125-L127 PolarHBondContact O-N 2.91Å; L127-V129 PolarHBondContact O-N 3.35Å; L127-A130 PolarHBondContact O-N 3.04Å; L127-V131 HydrophobicContact CD1-CG2 4.1Å; L127-V131 WeakPolarHBondContact O-CB 3.41Å; L127-V131 VanDerWaalsContact O-CG2 3.25Å; L127-V131 WeakPolarHBondContact O-CG2 3.46Å; L127-V131 PolarHBondContact O-N 3.33Å
128S90.8Very high87Confident60 Ų6042 Ų4242%0.4223%0.232SC..Hα-helixtrans-61.4-44178.275.20000113I124 F125 I126 A132I124-S128 WeakPolarHBondContact O-CB 3.42Å; I124-S128 PolarHBondContact O-N 3.21Å; I124-S128 PolarHBondContact O-OG 3.45Å; F125-S128 PolarHBondContact O-N 3.08Å; F125-S128 PolarHBondContact O-OG 3.43Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 3.16Å; S128-A132 VanDerWaalsContact O-CB 3.24Å; S128-A132 WeakPolarHBondContact O-CB 3.2Å; S128-A132 PolarHBondContact O-N 2.89Å
129V89.7Confident86.7Confident23 Ų2347.4 Ų47.414%0.13925%0.252CS..Hα-helixtrans-73.2-37.5-178.8172.70000111.5V14 V18 F125 I126 L127 S133V14-V129 HydrophobicContact CG1-CG1 4.16Å; V18-V129 HydrophobicContact CG1-CB 4.41Å; V18-V129 HydrophobicContact CG1-CG2 4.32Å; V18-V129 HydrophobicContact CG2-CG1 4.27Å; V18-V129 HydrophobicContact CG2-CG2 4.24Å; F125-V129 HydrophobicContact CD2-CG2 4.44Å; F125-V129 HydrophobicContact CE2-CG2 4.21Å; F125-V129 HydrophobicContact CZ-CG2 4.43Å; F125-V129 WeakPolarHBondContact O-CG2 3.46Å; F125-V129 PolarHBondContact O-N 2.94Å; I126-V129 PolarHBondContact O-N 3.12Å; L127-V129 PolarHBondContact O-N 3.35Å; V129-S133 VanDerWaalsContact O-CB 3.28Å; V129-S133 WeakPolarHBondContact O-CB 3.4Å; V129-S133 PolarHBondContact O-N 3.46Å; V129-S133 PolarHBondContact O-OG 3.23Å
130A89.6Confident86.2Confident2 Ų251.3 Ų51.32%0.01727%0.266CS..Hα-helixtrans-68.5-44.117700000111.2L63 I64 I126 L127 S133 L134L63-A130 HydrophobicContact CD2-CB 4.02Å; L63-A130 HydrophobicContact CG-CB 4.14Å; I64-A130 HydrophobicContact CD1-CB 4.37Å; I64-A130 HydrophobicContact CG1-CB 3.64Å; I126-A130 VanDerWaalsContact O-CB 3.23Å; I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 3.03Å; L127-A130 PolarHBondContact O-N 3.04Å; A130-S133 PolarHBondContact O-N 3.42Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 PolarHBondContact O-N 3.47Å
131V91Very high85.1Confident62 Ų6256.1 Ų56.138%0.37628%0.28SS..Hα-helixtrans-62.2-48.1172.9170.50000110.9I64 L127 S133 L134 V135I64-V131 HydrophobicContact CD1-CG2 4.05Å; I64-V131 HydrophobicContact CG1-CG2 4.07Å; I64-V131 HydrophobicContact CG2-CG2 4.22Å; L127-V131 HydrophobicContact CD1-CG2 4.1Å; L127-V131 WeakPolarHBondContact O-CB 3.41Å; L127-V131 VanDerWaalsContact O-CG2 3.25Å; L127-V131 WeakPolarHBondContact O-CG2 3.46Å; L127-V131 PolarHBondContact O-N 3.33Å; V131-S133 VanDerWaalsContact C-N 3.28Å; V131-S133 PolarHBondContact O-N 2.9Å; V131-L134 PolarHBondContact O-N 2.93Å; V131-V135 HydrophobicContact CG1-CG2 4.27Å; V131-V135 WeakPolarHBondContact O-CB 3.35Å; V131-V135 VanDerWaalsContact O-CG2 3.31Å; V131-V135 WeakPolarHBondContact O-CG2 3.36Å; V131-V135 PolarHBondContact O-N 2.88Å
132A88.1Confident83.6Confident58 Ų5860.7 Ų60.748%0.47929%0.289SS..Hα-helixtrans-58.3-40.6176.600000112.2S128 V135 Y136S128-A132 VanDerWaalsContact O-CB 3.24Å; S128-A132 WeakPolarHBondContact O-CB 3.2Å; S128-A132 PolarHBondContact O-N 2.89Å; A132-V135 PolarHBondContact O-N 3.32Å; A132-Y136 WeakPolarHBondContact O-CB 3.43Å; A132-Y136 PolarHBondContact O-N 2.96Å
133S85.4Confident81.7Confident0 Ų065.1 Ų65.10%032%0.316CS..Hα-helixtrans-64.9-44.7175.4-60.40000112V129 A130 V131 Y136 F137V129-S133 VanDerWaalsContact O-CB 3.28Å; V129-S133 WeakPolarHBondContact O-CB 3.4Å; V129-S133 PolarHBondContact O-N 3.46Å; V129-S133 PolarHBondContact O-OG 3.23Å; A130-S133 PolarHBondContact O-N 3.42Å; V131-S133 VanDerWaalsContact C-N 3.28Å; V131-S133 PolarHBondContact O-N 2.9Å; S133-Y136 PolarHBondContact O-N 3.47Å; S133-F137 WeakPolarHBondContact O-CD2 3.37Å; S133-F137 PolarHBondContact O-N 3.43Å
134L86.8Confident79.5Confident40 Ų4069.8 Ų69.821%0.20935%0.346CS..Hα-helixtrans-65.9-38.1176.9-174.765.4000111.7Q57 L60 I61 I64 A130 V131 S138Q57-L134 HydrophobicContact CG-CD1 4.33Å; L60-L134 HydrophobicContact CB-CB 4.46Å; L60-L134 HydrophobicContact CB-CD1 4.22Å; L60-L134 HydrophobicContact CD1-CB 4.48Å; L60-L134 HydrophobicContact CD1-CD1 4.48Å; I61-L134 HydrophobicContact CG1-CD1 4.42Å; I61-L134 HydrophobicContact CG1-CD2 4.05Å; I64-L134 HydrophobicContact CD1-CB 3.85Å; I64-L134 HydrophobicContact CD1-CD2 3.54Å; I64-L134 HydrophobicContact CD1-CG 4.32Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 PolarHBondContact O-N 3.47Å; V131-L134 PolarHBondContact O-N 2.93Å; L134-S138 WeakPolarHBondContact O-CB 3.47Å; L134-S138 PolarHBondContact O-N 3.4Å; L134-S138 PolarHBondContact O-OG 2.99Å
135V86.9Confident77.2Confident59 Ų5970.5 Ų70.536%0.35836%0.36SS..Hα-helixtrans-63.3-43.4173.2170.50000110.9V131 A132 S138 R139V131-V135 HydrophobicContact CG1-CG2 4.27Å; V131-V135 WeakPolarHBondContact O-CB 3.35Å; V131-V135 VanDerWaalsContact O-CG2 3.31Å; V131-V135 WeakPolarHBondContact O-CG2 3.36Å; V131-V135 PolarHBondContact O-N 2.88Å; A132-V135 PolarHBondContact O-N 3.32Å; V135-S138 WeakPolarHBondContact CA-OG 3.33Å; V135-S138 PolarHBondContact O-OG 3.19Å; V135-R139 HydrophobicContact CG1-CG 4.24Å; V135-R139 VanDerWaalsContact O-CB 3.23Å; V135-R139 WeakPolarHBondContact O-CB 3.49Å; V135-R139 VanDerWaalsContact O-CG 3.26Å; V135-R139 WeakPolarHBondContact O-CG 3.21Å; V135-R139 PolarHBondContact O-N 3.15Å
136Y84.5Confident74.9Confident55 Ų5569.5 Ų69.522%0.21637%0.368CS..Hα-helixtrans-60.8-52.7174.4166.9-98.9000112I6 D7 F10 A132 S133 S138 R139 R140I6-Y136 HydrophobicContact CG2-CE1 4.45Å; I6-Y136 HydrophobicContact CG2-CE2 3.98Å; I6-Y136 WeakPolarHBondContact CG2-OH 3.41Å; D7-Y136 WeakPolarHBondContact OD1-CE1 3.46Å; D7-Y136 PolarHBondContact OD1-OH 3.32Å; F10-Y136 HydrophobicContact CD2-CE1 4.46Å; A132-Y136 WeakPolarHBondContact O-CB 3.43Å; A132-Y136 PolarHBondContact O-N 2.96Å; S133-Y136 PolarHBondContact O-N 3.47Å; Y136-S138 VanDerWaalsContact C-N 3.34Å; Y136-S138 PolarHBondContact O-N 3.2Å; Y136-R139 PolarHBondContact O-N 3.13Å; Y136-R140 WeakPolarHBondContact O-CB 3.11Å; Y136-R140 PolarHBondContact O-N 2.91Å; Y136-R140 PolarHBondContact OH-NH1 3.38Å
137F79.7Confident72.7Confident20 Ų2076.4 Ų76.49%0.08840%0.404CS..Hα-helixtrans-67.2-31.2-179-72.7-61.3000113.3D7 P47 V56 L60 S133 R141D7-F137 HydrophobicContact CB-CE1 4.36Å; P47-F137 HydrophobicContact CG-CE1 4.33Å; V56-F137 HydrophobicContact CG1-CD2 4.31Å; V56-F137 HydrophobicContact CG1-CE2 4.21Å; L60-F137 HydrophobicContact CD1-CD2 3.61Å; L60-F137 HydrophobicContact CD1-CE2 4.08Å; S133-F137 WeakPolarHBondContact O-CD2 3.37Å; S133-F137 PolarHBondContact O-N 3.43Å; F137-R141 PolarHBondContact O-N 2.99Å
138S79.9Confident70.4Confident38 Ų3880.5 Ų80.527%0.26643%0.426SS..Hα-helixtrans-79.2-39.2176.260.60000113.3L134 V135 Y136 R140 R141L134-S138 WeakPolarHBondContact O-CB 3.47Å; L134-S138 PolarHBondContact O-N 3.4Å; L134-S138 PolarHBondContact O-OG 2.99Å; V135-S138 WeakPolarHBondContact CA-OG 3.33Å; V135-S138 PolarHBondContact O-OG 3.19Å; Y136-S138 VanDerWaalsContact C-N 3.34Å; Y136-S138 PolarHBondContact O-N 3.2Å; S138-R140 VanDerWaalsContact C-N 3.32Å; S138-R140 PolarHBondContact O-N 3.07Å; S138-R141 PolarHBondContact O-N 3.03Å
139R77.3Confident68.2Low177 Ų17781.8 Ų81.867%0.66843%0.434SS*.Hα-helixtrans-60.8-41.5171-77.6-178.4177.6-165.90.2111.2V135 Y136 R141 R142 V143V135-R139 HydrophobicContact CG1-CG 4.24Å; V135-R139 VanDerWaalsContact O-CB 3.23Å; V135-R139 WeakPolarHBondContact O-CB 3.49Å; V135-R139 VanDerWaalsContact O-CG 3.26Å; V135-R139 WeakPolarHBondContact O-CG 3.21Å; V135-R139 PolarHBondContact O-N 3.15Å; Y136-R139 PolarHBondContact O-N 3.13Å; R139-R141 VanDerWaalsContact C-N 3.28Å; R139-R141 PolarHBondContact O-N 2.7Å; R139-R142 WeakPolarHBondContact O-CA 3.47Å; R139-R142 WeakPolarHBondContact O-CB 3.21Å; R139-R142 PolarHBondContact O-N 2.93Å; R139-V143 PolarHBondContact O-N 3.35Å
140R70.5Confident66.1Low94 Ų9483.5 Ų83.536%0.35545%0.447SS..Hα-helixtrans-65.5-27.8177.5-177.8161.2163.7-170.3-21.3113.8P3 D7 Y136 S138 R142P3-R140 VanDerWaalsContact CB-NH1 3.31Å; P3-R140 PolarHBondContact O-NH1 3.31Å; D7-R140 IonicContact OD1-CZ 2.78Å; D7-R140 IonicContact OD1-NH1 3.04Å; D7-R140 PolarHBondContact OD1-NH1 3.01Å; D7-R140 IonicContact OD1-NH2 3.78Å; D7-R140 IonicContact OD2-CZ 3.29Å; D7-R140 IonicContact OD2-NH1 3.61Å; D7-R140 PolarHBondContact OD2-NH1 2.92Å; D7-R140 IonicContact OD2-NH2 3.03Å; D7-R140 PolarHBondContact OD2-NH2 3.48Å; Y136-R140 WeakPolarHBondContact O-CB 3.11Å; Y136-R140 PolarHBondContact O-N 2.91Å; Y136-R140 PolarHBondContact OH-NH1 3.38Å; S138-R140 VanDerWaalsContact C-N 3.32Å; S138-R140 PolarHBondContact O-N 3.07Å; R140-R142 PolarHBondContact O-N 3.43Å
141R61.6Low63.7Low143 Ų14387 Ų8754%0.5447%0.469SS..THydrogen-bonded Turntrans-70.9-11.5170.4-151-168.4-117.9-169.23.8112.9T53 T54 F137 S138 R139T53-R141 PolarHBondContact OG1-NH2 2.92Å; T54-R141 PolarHBondContact OG1-NH2 3.42Å; F137-R141 PolarHBondContact O-N 2.99Å; S138-R141 PolarHBondContact O-N 3.03Å; R139-R141 VanDerWaalsContact C-N 3.28Å; R139-R141 PolarHBondContact O-N 2.7Å
142R55.8Low61.3Low206 Ų20690 Ų9078%0.77748%0.483SS*.THydrogen-bonded Turntrans-104.14.4179.7-106.6-169-76.9179.5-8.8114.5R139 R140 P144R139-R142 WeakPolarHBondContact O-CA 3.47Å; R139-R142 WeakPolarHBondContact O-CB 3.21Å; R139-R142 PolarHBondContact O-N 2.93Å; R140-R142 PolarHBondContact O-N 3.43Å; R142-P144 WeakPolarHBondContact O-CD 3.1Å
143V47.5Very low59.1Low104 Ų10490.1 Ų90.163%0.6348%0.483SS*.SBendtrans-92.6110.5169.4-179.50000108.2R139R139-V143 PolarHBondContact O-N 3.35Å
144P41.4Very low57Low98 Ų9896 Ų9664%0.63652%0.515SS*.  trans-67.7146174.2-14.830.6000109.9R142 A146R142-P144 WeakPolarHBondContact O-CD 3.1Å; P144-A146 PolarHBondContact O-N 2.76Å
145S42.5Very low54.6Low107 Ų10797.1 Ų97.175%0.74853%0.526SS*.G310 helixtrans-73.511.7-179.1-59.20000114.3L147 L148S145-L147 PolarHBondContact O-N 3.24Å; S145-L147 VanDerWaalsContact O-N 3.09Å; S145-L148 PolarHBondContact O-N 2.78Å
146A41.3Very low52.6Low70 Ų7097.4 Ų97.458%0.57953%0.534SS*.G310 helixtrans-63-13.5-177.600000114.5P144 S149P144-A146 PolarHBondContact O-N 2.76Å; A146-S149 PolarHBondContact O-OG 2.78Å; A146-S149 VanDerWaalsContact O-OG 3.06Å
147L45Very low50.4Low148 Ų14898.1 Ų98.178%0.77554%0.544SS*.G310 helixtrans-90.13.6174-14384.2000114.1S145 S150S145-L147 PolarHBondContact O-N 3.24Å; S145-L147 VanDerWaalsContact O-N 3.09Å; L147-S150 PolarHBondContact O-OG 3.46Å
148L43.6Very low48.3Very low127 Ų127104.9 Ų104.967%0.66558%0.576SS**THydrogen-bonded Turntrans-108.6-18.6175.7-149.278.1000113S145 S150S145-L148 PolarHBondContact O-N 2.78Å; L148-S150 VanDerWaalsContact C-N 3.31Å
149S45Very low46.2Very low86 Ų86110.4 Ų110.460%0.60160%0.602SS**THydrogen-bonded Turntrans-69.4-28.2170.736.50000112.5A146A146-S149 PolarHBondContact O-OG 2.78Å; A146-S149 VanDerWaalsContact O-OG 3.06Å
150S44.2Very low44.3Very low59 Ų59106 Ų10641%0.41360%0.598SS.*THydrogen-bonded Turntrans-75.6-28.817752.20000113.9L147 L148 N152 A153 L154L147-S150 PolarHBondContact O-OG 3.46Å; L148-S150 VanDerWaalsContact C-N 3.31Å; S150-N152 VanDerWaalsContact C-N 3.33Å; S150-N152 PolarHBondContact O-N 3.46Å; S150-A153 WeakPolarHBondContact O-CB 3.25Å; S150-A153 PolarHBondContact O-N 2.77Å; S150-A153 VanDerWaalsContact O-N 3.16Å; S150-L154 PolarHBondContact O-N 2.87Å
151T39.1Very low42.6Very low76 Ų76107.7 Ų107.747%0.46661%0.613SS.*Hα-helixtrans-67.7-35.8-178.3-33.80000111.9A153 L154 S155T151-A153 VanDerWaalsContact C-N 3.27Å; T151-A153 PolarHBondContact O-N 3.28Å; T151-L154 PolarHBondContact O-N 3.45Å; T151-S155 PolarHBondContact O-N 3.42Å; T151-S155 VanDerWaalsContact O-N 3.16Å; T151-S155 PolarHBondContact O-OG 3.44Å
152N40.5Very low41.2Very low126 Ų126106.7 Ų106.767%0.67462%0.623SS**Hα-helixtrans-73.8-17.4175.3-72.19.5000113.1S150 A156S150-N152 VanDerWaalsContact C-N 3.33Å; S150-N152 PolarHBondContact O-N 3.46Å; N152-A156 WeakPolarHBondContact O-CB 3.09Å
153A42.2Very low40.1Very low59 Ų59101.3 Ų101.349%0.48862%0.617SS.*Hα-helixtrans-80.6-35.3171.600000111.8S150 T151 A156S150-A153 WeakPolarHBondContact O-CB 3.25Å; S150-A153 PolarHBondContact O-N 2.77Å; S150-A153 VanDerWaalsContact O-N 3.16Å; T151-A153 VanDerWaalsContact C-N 3.27Å; T151-A153 PolarHBondContact O-N 3.28Å; A153-A156 WeakPolarHBondContact O-CB 3.16Å; A153-A156 PolarHBondContact O-N 3.05Å
154L40.7Very low39.3Very low125 Ų125105.4 Ų105.465%0.65463%0.628SS**Hα-helixtrans-75.4-37.3177.6-95.4164.3000113.2S150 T151 A156 V157 E158S150-L154 PolarHBondContact O-N 2.87Å; T151-L154 PolarHBondContact O-N 3.45Å; L154-A156 PolarHBondContact O-N 2.78Å; L154-V157 PolarHBondContact O-N 3.44Å; L154-E158 PolarHBondContact O-N 2.89Å
155S38.3Very low38.8Very low63 Ų63107.2 Ų107.244%0.44163%0.633SS.*THydrogen-bonded Turntrans-70-7.6170.159.90000113.9T151T151-S155 PolarHBondContact O-N 3.42Å; T151-S155 VanDerWaalsContact O-N 3.16Å; T151-S155 PolarHBondContact O-OG 3.44Å
156A44.4Very low38.4Very low65 Ų65107.1 Ų107.154%0.53763%0.632SS.*THydrogen-bonded Turntrans-91.6-2.3170.200000113.3N152 A153 L154 S160N152-A156 WeakPolarHBondContact O-CB 3.09Å; A153-A156 WeakPolarHBondContact O-CB 3.16Å; A153-A156 PolarHBondContact O-N 3.05Å; L154-A156 PolarHBondContact O-N 2.78Å; A156-S160 PolarHBondContact O-OG 3.14Å
157V38.3Very low37.9Very low70 Ų70111 Ų11142%0.42464%0.643SS.*THydrogen-bonded Turntrans-107.4-36174.9177.40000111.5L154 N159 S160 I161L154-V157 PolarHBondContact O-N 3.44Å; V157-N159 VanDerWaalsContact C-N 3.26Å; V157-N159 PolarHBondContact O-N 3.22Å; V157-S160 WeakPolarHBondContact CA-OG 3.32Å; V157-S160 PolarHBondContact O-N 2.78Å; V157-S160 VanDerWaalsContact O-N 3.14Å; V157-S160 PolarHBondContact O-OG 2.94Å; V157-S160 VanDerWaalsContact O-OG 3.12Å; V157-I161 HydrophobicContact CG1-CD1 3.83Å; V157-I161 HydrophobicContact CG1-CG1 4.26Å; V157-I161 PolarHBondContact O-N 3.3Å; V157-I161 VanDerWaalsContact O-N 3.13Å
158E35Very low37.4Very low162 Ų162112.9 Ų112.976%0.75765%0.648SS**THydrogen-bonded Turntrans-75.2-10.8-178.7-157.2168.4-171.500114.2L154L154-E158 PolarHBondContact O-N 2.89Å
159N35.2Very low37Very low154 Ų154111.4 Ų111.482%0.82465%0.649SS**THydrogen-bonded Turntrans-101.99.1170-79.8-38.8000113.4V157V157-N159 VanDerWaalsContact C-N 3.26Å; V157-N159 PolarHBondContact O-N 3.22Å
160S38.1Very low36.3Very low83 Ų83115.4 Ų115.458%0.5866%0.658SS**THydrogen-bonded Turntrans-133.3-7.2-177.2500000114A156 V157A156-S160 PolarHBondContact O-OG 3.14Å; V157-S160 WeakPolarHBondContact CA-OG 3.32Å; V157-S160 PolarHBondContact O-N 2.78Å; V157-S160 VanDerWaalsContact O-N 3.14Å; V157-S160 PolarHBondContact O-OG 2.94Å; V157-S160 VanDerWaalsContact O-OG 3.12Å
161I35.7Very low35.9Very low130 Ų130119.8 Ų119.867%0.66767%0.671SS**  trans-130.262.3175.2-43.6-176.4000111.5V157V157-I161 HydrophobicContact CG1-CD1 3.83Å; V157-I161 HydrophobicContact CG1-CG1 4.26Å; V157-I161 PolarHBondContact O-N 3.3Å; V157-I161 VanDerWaalsContact O-N 3.13Å
162V32.2Very low35.5Very low122 Ų122122.7 Ų122.774%0.73968%0.684SS**SBendtrans-126.7107.6146.9178.80000106.2
163S31.5Very low35.4Very low93 Ų93121 Ų12165%0.6568%0.68SS**  trans-4.1127.9170.653.40000116.8
164H30.6Very low34.8Very low190 Ų190127.7 Ų127.788%0.8870%0.698SS**  cis39.669.123-118.3-55.9000114.9
165N32.2Very low34.5Very low137 Ų137127.5 Ų127.573%0.73370%0.704SS**  trans-173.8140.4140.4-97.7-7.1000108.6
166S32.9Very low34.3Very low105 Ų105129.7 Ų129.773%0.73472%0.72SS**  trans54.6106.2174.244.20000114.5
167D30.5Very low33.8Very low150 Ų150133.3 Ų133.380%0.80274%0.735SS**  cis53.9141.546.2-54.1-56.1000114
168E34.3Very low33.6Very low189 Ų189134.1 Ų134.188%0.88375%0.749SS**  trans63.7138.5-179.9-58.1-172.3148.500117.2
169S34.9Very low33.5Very low96 Ų96135.9 Ų135.967%0.67175%0.754SS**  cis-174.3145.2-32.641.90000108.6
170E32.2Very low33.2Very low170 Ų170136.2 Ų136.279%0.79476%0.756SS**  trans67.2163.2155.6-80.2-15268.200122.7
171H34.5Very low33Very low150 Ų150141.4 Ų141.469%0.69477%0.768SS**  trans68.890.3155.8-96.573.3000122.1
172N30.6Very low33Very low137 Ų137142.2 Ų142.273%0.73377%0.769SS**  24.3153.8104.3-79.6-38.1000120.2
173P38.3Very low33Very low92 Ų92143.3 Ų143.360%0.59777%0.77SS**  cis-148.7-175.4-22.241.8-22.7000116.6
174K29.9Very low32.8Very low199 Ų199145.4 Ų145.487%0.86577%0.774SS**  trans76.4162.5150-80166.8-176.1174.20120.1
175P35.2Very low32.8Very low121 Ų121146 Ų14679%0.78677%0.768SS**  trans-130166.8-154.742.9-27.7000117.7
176S33.7Very low32.8Very low109 Ų109146.4 Ų146.476%0.76278%0.776SS**  trans-147.9113161.957.50000109.9
177V33.5Very low32.7Very low141 Ų141148.5 Ų148.586%0.85577%0.769SS**  60.6102.680.8-1800000114.1
178A33.6Very low32.8Very low87 Ų87151.4 Ų151.472%0.71978%0.775SS**  trans-176.8134.1137.500000115.4
179K33.3Very low32.8Very low198 Ų198147.4 Ų147.486%0.86176%0.759SS**  trans61.993.3142-65.3170.5-177.5170.90121
180N28.8Very low33.4Very low162 Ų162149.5 Ų149.587%0.86676%0.757SS**  11.6127.2123.6-61.6-8.5000119.2
181K35.3Very low34.5Very low191 Ų191145.6 Ų145.683%0.8375%0.745SS**  -172.9156.2126.7-98-173.8177.3179.10109.1
182Q34.8Very low35.4Very low147 Ų147148.6 Ų148.669%0.68775%0.75SS**  cis-175.3120.5-26.9164.5172.93.200108.5
183L31.8Very low36.6Very low145 Ų145149.8 Ų149.876%0.75976%0.755SS**  trans62.7159.5161.2-117.565.5000121.6
184D27.9Very low37.6Very low138 Ų138147.2 Ų147.274%0.73873%0.734SS**  trans51.390.9155.1-60.4-21.4000122.1
185R31.3Very low39.5Very low202 Ų202142.8 Ų142.876%0.76272%0.72SS**  -159.8107.7121.5-114.5175.4176.2-177-2.9113.5Y187R185-Y187 HydrophobicContact CB-CD2 4.07Å; R185-Y187 HydrophobicContact CG-CD2 3.8Å; R185-Y187 HydrophobicContact CG-CE2 3.88Å; R185-Y187 PolarHBondContact O-N 2.98Å
186T30.8Very low41.3Very low146 Ų146141 Ų14190%0.89670%0.7SS**  trans-75.566.5171.631.20000112.2
187Y32.2Very low43Very low148 Ų148140.7 Ų140.758%0.5869%0.69SS**  trans-87.8126.6172.6-94.6-114.6000111.7R185 N189R185-Y187 HydrophobicContact CB-CD2 4.07Å; R185-Y187 HydrophobicContact CG-CD2 3.8Å; R185-Y187 HydrophobicContact CG-CE2 3.88Å; R185-Y187 PolarHBondContact O-N 2.98Å; Y187-N189 PolarHBondContact O-N 3.3Å
188F32.2Very low44.2Very low211 Ų211138 Ų13893%0.92567%0.669SS**  trans-68.985.7175.6-93.7-93.2000111.6F190F188-F190 PolarHBondContact O-N 3.07Å
189N34.2Very low45.9Very low105 Ų105137.4 Ų137.456%0.56165%0.65SS**  trans-7753.3-176.9-76.5-39.6000114.4Y187 T191 R192Y187-N189 PolarHBondContact O-N 3.3Å; N189-T191 PolarHBondContact O-N 2.98Å; N189-T191 VanDerWaalsContact O-N 3.14Å; N189-R192 PolarHBondContact O-N 3.29Å
190F47.5Very low47.9Very low140 Ų140135.5 Ų135.561%0.61464%0.637SS**THydrogen-bonded Turntrans-57.6-26.6177.9178-112.5000113.9F188 W194F188-F190 PolarHBondContact O-N 3.07Å; F190-W194 HydrophobicContact CD1-CZ2 4.29Å; F190-W194 HydrophobicContact CE1-CH2 4.2Å; F190-W194 AromaticContact CE1-CZ2 3.42Å; F190-W194 HydrophobicContact CE1-CZ2 3.42Å; F190-W194 VanDerWaalsContact CE1-CZ2 3.42Å; F190-W194 AromaticContact CZ-CZ2 3.79Å; F190-W194 HydrophobicContact CZ-CZ2 3.79Å; F190-W194 PolarHBondContact O-NE1 3.01Å
191T55.3Low49.8Very low89 Ų89132.7 Ų132.755%0.54662%0.622SS.*THydrogen-bonded Turntrans-94.7-8.7-170.551.60000115.2N189 L193 W194N189-T191 PolarHBondContact O-N 2.98Å; N189-T191 VanDerWaalsContact O-N 3.14Å; T191-L193 PolarHBondContact O-N 3.39Å; T191-W194 PolarHBondContact O-N 3.32Å
192R52.9Low51.1Low213 Ų213128.9 Ų128.980%0.80460%0.602SS**THydrogen-bonded Turntrans-73.8-24.8-171.6-167170.5-179.2172.80.2114.1N189 W194N189-R192 PolarHBondContact O-N 3.29Å; R192-W194 VanDerWaalsContact C-N 3.35Å
193L56.1Low52.9Low162 Ų162127.9 Ų127.985%0.84859%0.592SS**THydrogen-bonded Turntrans-82.4-6.1175.6-92.578.9000114.2T191 N195T191-L193 PolarHBondContact O-N 3.39Å; L193-N195 PolarHBondContact O-N 2.83Å
194W59.3Low54.7Low38 Ų38123.6 Ų123.614%0.14458%0.577CS.*  trans-78.5125.2-171.5-73.225.1000111.7F190 T191 R192 K199 W202 F530F190-W194 HydrophobicContact CD1-CZ2 4.29Å; F190-W194 HydrophobicContact CE1-CH2 4.2Å; F190-W194 AromaticContact CE1-CZ2 3.42Å; F190-W194 HydrophobicContact CE1-CZ2 3.42Å; F190-W194 VanDerWaalsContact CE1-CZ2 3.42Å; F190-W194 AromaticContact CZ-CZ2 3.79Å; F190-W194 HydrophobicContact CZ-CZ2 3.79Å; F190-W194 PolarHBondContact O-NE1 3.01Å; T191-W194 PolarHBondContact O-N 3.32Å; R192-W194 VanDerWaalsContact C-N 3.35Å; W194-K199 HydrophobicContact CB-CG 3.9Å; W194-K199 HydrophobicContact CE3-CG 4.23Å; W194-K199 WeakPolarHBondContact O-CE 3.44Å; W194-W202 HydrophobicContact CH2-CB 4.28Å; W194-W202 AromaticContact CH2-CD1 3.82Å; W194-W202 HydrophobicContact CH2-CD2 4.37Å; W194-W202 AromaticContact CH2-CG 3.89Å; W194-W202 HydrophobicContact CH2-CG 3.89Å; W194-W202 HydrophobicContact CZ3-CB 3.62Å; W194-W202 AromaticContact CZ3-CD1 3.96Å; W194-W202 AromaticContact CZ3-CD2 3.94Å; W194-W202 HydrophobicContact CZ3-CD2 3.94Å; W194-W202 HydrophobicContact CZ3-CE3 4.48Å; W194-W202 AromaticContact CZ3-CG 3.53Å; W194-W202 HydrophobicContact CZ3-CG 3.53Å; W194-F530 HydrophobicContact CH2-CD1 4.35Å; W194-F530 AromaticContact CH2-CE1 3.85Å; W194-F530 HydrophobicContact CH2-CE1 3.85Å; W194-F530 HydrophobicContact CH2-CE2 4.3Å; W194-F530 AromaticContact CH2-CZ 3.83Å; W194-F530 HydrophobicContact CH2-CZ 3.83Å; W194-F530 HydrophobicContact CZ2-CE1 4.29Å; W194-F530 AromaticContact CZ2-CE2 3.93Å; W194-F530 HydrophobicContact CZ2-CE2 3.93Å; W194-F530 AromaticContact CZ2-CZ 3.81Å; W194-F530 HydrophobicContact CZ2-CZ 3.81Å
195N70.2Confident56.5Low106 Ų106120 Ų12057%0.56755%0.553SS**  trans-68.8151.5171.8-167.2-17.7000109.9L193 N197 Q198 K199L193-N195 PolarHBondContact O-N 2.83Å; N195-N197 PolarHBondContact O-N 3.44Å; N195-Q198 HydrophobicContact CB-CG 4.47Å; N195-Q198 WeakPolarHBondContact O-CA 3.43Å; N195-Q198 WeakPolarHBondContact O-CB 3.41Å; N195-Q198 PolarHBondContact O-N 2.91Å; N195-K199 PolarHBondContact O-N 2.81Å
196E73.7Confident58.3Low82 Ų82111.6 Ų111.638%0.38353%0.528SS..Hα-helixtrans-58.5-34.5-176.5-86.1-54.9129.400113Q198 K199 R200 R203E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-Q198 PolarHBondContact O-N 3.06Å; E196-K199 CarbonylContact O-C 3.1Å; E196-K199 PolarHBondContact O-N 2.83Å; E196-K199 VanDerWaalsContact OE1-CD 3.29Å; E196-K199 WeakPolarHBondContact OE1-CD 3.29Å; E196-K199 WeakPolarHBondContact OE1-CE 3.49Å; E196-K199 IonicContact OE1-NZ 3.89Å; E196-K199 PolarHBondContact OE1-NZ 2.93Å; E196-R200 WeakPolarHBondContact O-CB 3.44Å; E196-R200 VanDerWaalsContact O-CG 3.3Å; E196-R200 WeakPolarHBondContact O-CG 3.48Å; E196-R200 PolarHBondContact O-N 2.99Å; E196-R203 IonicContact OE2-NH2 2.76Å; E196-R203 PolarHBondContact OE2-NH2 2.99Å
197N69.2Low60.4Low103 Ų103109.8 Ų109.855%0.55151%0.51SS*.Hα-helixtrans-63.3-38.1174.1-73.3-14.2000112.2N195 R200 L201N195-N197 PolarHBondContact O-N 3.44Å; N197-R200 PolarHBondContact O-N 2.96Å; N197-L201 WeakPolarHBondContact O-CB 3.31Å; N197-L201 WeakPolarHBondContact O-CG 3.16Å; N197-L201 PolarHBondContact O-N 2.81Å
198Q58.9Low62.1Low86 Ų86103.7 Ų103.740%0.40249%0.487SS..Hα-helixtrans-66.6-42.4173.3-64.5168.2-29.900111N195 E196 R200 L201 W202N195-Q198 HydrophobicContact CB-CG 4.47Å; N195-Q198 WeakPolarHBondContact O-CA 3.43Å; N195-Q198 WeakPolarHBondContact O-CB 3.41Å; N195-Q198 PolarHBondContact O-N 2.91Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-Q198 PolarHBondContact O-N 3.06Å; Q198-R200 VanDerWaalsContact C-N 3.31Å; Q198-R200 PolarHBondContact O-N 3.11Å; Q198-L201 PolarHBondContact O-N 3.1Å; Q198-W202 WeakPolarHBondContact O-CB 3.29Å; Q198-W202 PolarHBondContact O-N 3.24Å
199K68.8Low63.8Low73 Ų7394.5 Ų94.532%0.31745%0.45SS..Hα-helixtrans-64.3-32.4174.3-60.4-175.2-147.6158.90112.8W194 N195 E196 R203W194-K199 HydrophobicContact CB-CG 3.9Å; W194-K199 HydrophobicContact CE3-CG 4.23Å; W194-K199 WeakPolarHBondContact O-CE 3.44Å; N195-K199 PolarHBondContact O-N 2.81Å; E196-K199 CarbonylContact O-C 3.1Å; E196-K199 PolarHBondContact O-N 2.83Å; E196-K199 VanDerWaalsContact OE1-CD 3.29Å; E196-K199 WeakPolarHBondContact OE1-CD 3.29Å; E196-K199 WeakPolarHBondContact OE1-CE 3.49Å; E196-K199 IonicContact OE1-NZ 3.89Å; E196-K199 PolarHBondContact OE1-NZ 2.93Å; K199-R203 WeakPolarHBondContact O-CB 3.48Å; K199-R203 VanDerWaalsContact O-CG 3.25Å; K199-R203 WeakPolarHBondContact O-CG 3.24Å; K199-R203 PolarHBondContact O-N 2.83Å; K199-R203 VanDerWaalsContact O-N 3.16Å; K199-R203 PolarHBondContact O-NE 2.97Å
200R74.4Confident65.6Low159 Ų15993.7 Ų93.760%0.645%0.445SS*.Hα-helixtrans-70.3-49.9174.6-74.2174.8-175.1-162.62.7110.9E196 N197 Q198 W202 R203 A204E196-R200 WeakPolarHBondContact O-CB 3.44Å; E196-R200 VanDerWaalsContact O-CG 3.3Å; E196-R200 WeakPolarHBondContact O-CG 3.48Å; E196-R200 PolarHBondContact O-N 2.99Å; N197-R200 PolarHBondContact O-N 2.96Å; Q198-R200 VanDerWaalsContact C-N 3.31Å; Q198-R200 PolarHBondContact O-N 3.11Å; R200-W202 PolarHBondContact O-N 3.16Å; R200-R203 PolarHBondContact O-N 3.4Å; R200-A204 WeakPolarHBondContact O-CB 3.44Å; R200-A204 PolarHBondContact O-N 3.32Å
201L68.6Low67.1Low103 Ų10389.8 Ų89.854%0.53943%0.426SS..Hα-helixtrans-60.2-44.4177.5-73.1168.9000112.1N197 Q198 A204 W205N197-L201 WeakPolarHBondContact O-CB 3.31Å; N197-L201 WeakPolarHBondContact O-CG 3.16Å; N197-L201 PolarHBondContact O-N 2.81Å; Q198-L201 PolarHBondContact O-N 3.1Å; L201-A204 PolarHBondContact O-N 3.23Å; L201-W205 WeakPolarHBondContact O-CB 3.19Å; L201-W205 PolarHBondContact O-N 3.46Å
202W62.5Low68.1Low111 Ų11187 Ų8742%0.4241%0.407SS..Hα-helixtrans-63.6-44.2176.1-179.179.8000112.4W194 Q198 R200 A204 W205 A206 F530W194-W202 HydrophobicContact CH2-CB 4.28Å; W194-W202 AromaticContact CH2-CD1 3.82Å; W194-W202 HydrophobicContact CH2-CD2 4.37Å; W194-W202 AromaticContact CH2-CG 3.89Å; W194-W202 HydrophobicContact CH2-CG 3.89Å; W194-W202 HydrophobicContact CZ3-CB 3.62Å; W194-W202 AromaticContact CZ3-CD1 3.96Å; W194-W202 AromaticContact CZ3-CD2 3.94Å; W194-W202 HydrophobicContact CZ3-CD2 3.94Å; W194-W202 HydrophobicContact CZ3-CE3 4.48Å; W194-W202 AromaticContact CZ3-CG 3.53Å; W194-W202 HydrophobicContact CZ3-CG 3.53Å; Q198-W202 WeakPolarHBondContact O-CB 3.29Å; Q198-W202 PolarHBondContact O-N 3.24Å; R200-W202 PolarHBondContact O-N 3.16Å; W202-A204 PolarHBondContact O-N 3.24Å; W202-W205 PolarHBondContact O-N 2.88Å; W202-A206 WeakPolarHBondContact O-CB 3.35Å; W202-A206 PolarHBondContact O-N 3.43Å; W202-F530 AromaticContact CD1-CD1 3.82Å; W202-F530 AromaticContact CD1-CE1 3.56Å
203R72.2Confident69.5Low126 Ų12680 Ų8048%0.47539%0.385SS..Hα-helixtrans-60.2-43.6175.1-81.2178.7-74.6-178.4-9112E196 K199 R200 M207E196-R203 IonicContact OE2-NH2 2.76Å; E196-R203 PolarHBondContact OE2-NH2 2.99Å; K199-R203 WeakPolarHBondContact O-CB 3.48Å; K199-R203 VanDerWaalsContact O-CG 3.25Å; K199-R203 WeakPolarHBondContact O-CG 3.24Å; K199-R203 PolarHBondContact O-N 2.83Å; K199-R203 VanDerWaalsContact O-N 3.16Å; K199-R203 PolarHBondContact O-NE 2.97Å; R200-R203 PolarHBondContact O-N 3.4Å; R203-M207 WeakPolarHBondContact O-CB 3.33Å; R203-M207 WeakPolarHBondContact O-CG 3.3Å; R203-M207 PolarHBondContact O-N 2.6Å
204A70.2Confident70.9Confident54 Ų5475.8 Ų75.845%0.44636%0.363SS..Hα-helixtrans-63.2-51.3177.900000111.7R200 L201 W202 M207 D208R200-A204 WeakPolarHBondContact O-CB 3.44Å; R200-A204 PolarHBondContact O-N 3.32Å; L201-A204 PolarHBondContact O-N 3.23Å; W202-A204 PolarHBondContact O-N 3.24Å; A204-M207 PolarHBondContact O-N 2.89Å; A204-D208 WeakPolarHBondContact O-CB 3.46Å; A204-D208 PolarHBondContact O-N 3.37Å
205W65.6Low72.2Confident62 Ų6274.2 Ų74.224%0.23536%0.358CS..Hα-helixtrans-59.7-48.1177.4170.775.6000112.3L201 W202 M207 D208 S209 A522 P528 P529L201-W205 WeakPolarHBondContact O-CB 3.19Å; L201-W205 PolarHBondContact O-N 3.46Å; W202-W205 PolarHBondContact O-N 2.88Å; W205-M207 PolarHBondContact O-N 3.29Å; W205-D208 PolarHBondContact O-N 3.32Å; W205-S209 PolarHBondContact NE1-OG 3.38Å; W205-S209 WeakPolarHBondContact O-CB 3.36Å; W205-S209 PolarHBondContact O-N 3Å; W205-S209 PolarHBondContact O-OG 3.45Å; W205-A522 WeakPolarHBondContact CZ2-O 3.22Å; W205-P528 HydrophobicContact CD2-CB 4.36Å; W205-P528 HydrophobicContact CE3-CB 4.08Å; W205-P528 HydrophobicContact CH2-CB 3.66Å; W205-P528 HydrophobicContact CZ2-CB 3.94Å; W205-P528 HydrophobicContact CZ3-CB 3.73Å; W205-P529 VanDerWaalsContact CD1-CD 3.48Å; W205-P529 HydrophobicContact CG-CG 4.12Å; W205-P529 VanDerWaalsContact NE1-CD 3.33Å
206A68.8Low73.1Confident27 Ų2769.5 Ų69.522%0.22333%0.333CS..Hα-helixtrans-62.4-42.2-178.700000111.7W202 L210W202-A206 WeakPolarHBondContact O-CB 3.35Å; W202-A206 PolarHBondContact O-N 3.43Å; A206-L210 WeakPolarHBondContact O-CB 3.35Å; A206-L210 PolarHBondContact O-N 2.85Å
207M75Confident73.9Confident107 Ų10769.1 Ų69.153%0.52733%0.333SS..Hα-helixtrans-64.5-39.2175.8-74.1-63.7-63.100112.5R203 A204 W205 R211R203-M207 WeakPolarHBondContact O-CB 3.33Å; R203-M207 WeakPolarHBondContact O-CG 3.3Å; R203-M207 PolarHBondContact O-N 2.6Å; A204-M207 PolarHBondContact O-N 2.89Å; W205-M207 PolarHBondContact O-N 3.29Å; M207-R211 WeakPolarHBondContact O-CB 3.43Å; M207-R211 WeakPolarHBondContact O-CD 3.28Å; M207-R211 WeakPolarHBondContact O-CG 3.43Å; M207-R211 PolarHBondContact O-N 2.99Å
208D69.1Low75Confident20 Ų2065.1 Ų65.111%0.10731%0.311CS..Hα-helixtrans-78.1-39.8-176.4-71.7-5.1000112.3A204 W205 M212 R342 P518A204-D208 WeakPolarHBondContact O-CB 3.46Å; A204-D208 PolarHBondContact O-N 3.37Å; W205-D208 PolarHBondContact O-N 3.32Å; D208-M212 WeakPolarHBondContact O-CB 3.26Å; D208-M212 WeakPolarHBondContact O-CG 3.48Å; D208-M212 PolarHBondContact O-N 3.24Å; D208-R342 VanDerWaalsContact CG-NH2 3.27Å; D208-R342 IonicContact OD1-CZ 2.71Å; D208-R342 VanDerWaalsContact OD1-CZ 3.22Å; D208-R342 IonicContact OD1-NH1 2.88Å; D208-R342 PolarHBondContact OD1-NH1 3Å; D208-R342 IonicContact OD1-NH2 3.59Å; D208-R342 PolarHBondContact OD1-NH2 3.48Å; D208-R342 IonicContact OD2-CZ 3.21Å; D208-R342 IonicContact OD2-NH1 3.9Å; D208-R342 IonicContact OD2-NH2 3.57Å; D208-R342 PolarHBondContact OD2-NH2 2.89Å; D208-P518 HydrophobicContact CB-CB 3.91Å; D208-P518 HydrophobicContact CB-CG 4.36Å
209S66.6Low76.6Confident19 Ų1961.2 Ų61.213%0.13329%0.293CS..Hα-helixtrans-61.6-42.9168.6-70.50000112W205 L213 L523W205-S209 PolarHBondContact NE1-OG 3.38Å; W205-S209 WeakPolarHBondContact O-CB 3.36Å; W205-S209 PolarHBondContact O-N 3Å; W205-S209 PolarHBondContact O-OG 3.45Å; S209-L213 VanDerWaalsContact O-CB 3.3Å; S209-L213 WeakPolarHBondContact O-CB 3.35Å; S209-L213 PolarHBondContact O-N 3.42Å; S209-L523 WeakPolarHBondContact O-CD1 3.49Å
210L73.6Confident77.7Confident88 Ų8858.2 Ų58.246%0.46128%0.281SS..Hα-helixtrans-64.4-44.1177.9179.461.3000112.3A206 L213 I214A206-L210 WeakPolarHBondContact O-CB 3.35Å; A206-L210 PolarHBondContact O-N 2.85Å; L210-L213 PolarHBondContact O-N 3.05Å; L210-I214 HydrophobicContact CD1-CD1 4.04Å; L210-I214 HydrophobicContact CD1-CG1 4.31Å; L210-I214 HydrophobicContact CG-CD1 3.9Å; L210-I214 WeakPolarHBondContact O-CB 3.49Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.43Å; L210-I214 PolarHBondContact O-N 3.43Å
211R77.3Confident78.6Confident58 Ų5855.8 Ų55.822%0.21928%0.275CS..Hα-helixtrans-64.5-41.3178.7-74.216775.8-93.4-7.4112.4M207 T215 E339M207-R211 WeakPolarHBondContact O-CB 3.43Å; M207-R211 WeakPolarHBondContact O-CD 3.28Å; M207-R211 WeakPolarHBondContact O-CG 3.43Å; M207-R211 PolarHBondContact O-N 2.99Å; R211-T215 PolarHBondContact O-N 3.36Å; R211-T215 PolarHBondContact O-OG1 3.14Å; R211-E339 VanDerWaalsContact CZ-CD 3.41Å; R211-E339 IonicContact CZ-OE1 2.68Å; R211-E339 IonicContact CZ-OE2 2.7Å; R211-E339 IonicContact NE-OE1 3.23Å; R211-E339 IonicContact NH1-OE1 2.7Å; R211-E339 PolarHBondContact NH1-OE1 2.92Å; R211-E339 VanDerWaalsContact NH1-OE1 3.16Å; R211-E339 IonicContact NH1-OE2 2.68Å; R211-E339 PolarHBondContact NH1-OE2 3.07Å; R211-E339 IonicContact NH2-OE1 3.14Å; R211-E339 PolarHBondContact NH2-OE1 3.48Å; R211-E339 IonicContact NH2-OE2 2.7Å; R211-E339 PolarHBondContact NH2-OE2 2.96Å
212M77.2Confident79.7Confident31 Ų3151 Ų5115%0.15325%0.251CS..Hα-helixtrans-65.8-39.5173.3-77.5-76-62.800112.2D208 T215 V216 F256 F520 L523D208-M212 WeakPolarHBondContact O-CB 3.26Å; D208-M212 WeakPolarHBondContact O-CG 3.48Å; D208-M212 PolarHBondContact O-N 3.24Å; M212-T215 WeakPolarHBondContact O-CB 3.14Å; M212-T215 PolarHBondContact O-N 3.26Å; M212-V216 WeakPolarHBondContact O-CG2 3.32Å; M212-V216 PolarHBondContact O-N 2.89Å; M212-F256 HydrophobicContact CE-CD1 4.4Å; M212-F256 HydrophobicContact CE-CE1 3.48Å; M212-F256 VanDerWaalsContact CE-CE1 3.48Å; M212-F256 HydrophobicContact CE-CZ 3.57Å; M212-F256 HydrophobicContact SD-CE1 3.83Å; M212-F256 HydrophobicContact SD-CZ 4.18Å; M212-F520 HydrophobicContact CE-CD2 3.42Å; M212-F520 VanDerWaalsContact CE-CD2 3.42Å; M212-F520 HydrophobicContact CE-CE2 3.54Å; M212-F520 HydrophobicContact CE-CG 4.49Å; M212-L523 HydrophobicContact CB-CD1 3.27Å; M212-L523 HydrophobicContact CG-CD1 4.44Å
213L81.4Confident81Confident64 Ų6445.8 Ų45.834%0.33523%0.231SC..Hα-helixtrans-62.7-47.7175.2177.762.1000111.1S209 L210 T215 V216 L217 L523S209-L213 VanDerWaalsContact O-CB 3.3Å; S209-L213 WeakPolarHBondContact O-CB 3.35Å; S209-L213 PolarHBondContact O-N 3.42Å; L210-L213 PolarHBondContact O-N 3.05Å; L213-T215 VanDerWaalsContact C-N 3.27Å; L213-T215 PolarHBondContact O-N 3.01Å; L213-V216 PolarHBondContact O-N 3.41Å; L213-L217 HydrophobicContact CD1-CD1 4.05Å; L213-L217 HydrophobicContact CD1-CG 4.19Å; L213-L217 HydrophobicContact CG-CD1 3.93Å; L213-L217 HydrophobicContact CG-CG 4.47Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.4Å; L213-L217 PolarHBondContact O-N 3.42Å; L213-L523 HydrophobicContact CB-CD2 4.16Å; L213-L523 HydrophobicContact CD1-CD2 4.17Å
214I85.9Confident81.9Confident74 Ų7440.1 Ų40.138%0.37921%0.21SC..Hα-helixtrans-57.1-41.8174.5-70.9164.8000110.8L210 L217 L218L210-I214 HydrophobicContact CD1-CD1 4.04Å; L210-I214 HydrophobicContact CD1-CG1 4.31Å; L210-I214 HydrophobicContact CG-CD1 3.9Å; L210-I214 WeakPolarHBondContact O-CB 3.49Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.43Å; L210-I214 PolarHBondContact O-N 3.43Å; I214-L217 PolarHBondContact O-N 3.29Å; I214-L218 HydrophobicContact CG2-CD1 3.82Å; I214-L218 HydrophobicContact CG2-CG 4.34Å; I214-L218 WeakPolarHBondContact O-CB 3.42Å; I214-L218 VanDerWaalsContact O-CG 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.48Å; I214-L218 PolarHBondContact O-N 3Å
215T87.3Confident82.7Confident6 Ų638.1 Ų38.14%0.03719%0.192CC..Hα-helixtrans-62.8-47.7178-55.20000111.5R211 M212 L213 L217 L218 V219 V335 L336R211-T215 PolarHBondContact O-N 3.36Å; R211-T215 PolarHBondContact O-OG1 3.14Å; M212-T215 WeakPolarHBondContact O-CB 3.14Å; M212-T215 PolarHBondContact O-N 3.26Å; L213-T215 VanDerWaalsContact C-N 3.27Å; L213-T215 PolarHBondContact O-N 3.01Å; T215-L217 PolarHBondContact O-N 2.87Å; T215-L218 PolarHBondContact O-N 2.85Å; T215-V219 WeakPolarHBondContact O-CG2 3.39Å; T215-V219 PolarHBondContact O-N 3.22Å; T215-V219 VanDerWaalsContact O-N 3.1Å; T215-V335 HydrophobicContact CG2-CG1 4.43Å; T215-V335 WeakPolarHBondContact OG1-CG1 3.13Å; T215-L336 HydrophobicContact CG2-CD2 4.06Å
216V88.5Confident83.5Confident7 Ų735.2 Ų35.24%0.04218%0.182CC..Hα-helixtrans-64.6-39.7178.5172.10000111.5M212 L213 V219 C220 F238 I241M212-V216 WeakPolarHBondContact O-CG2 3.32Å; M212-V216 PolarHBondContact O-N 2.89Å; L213-V216 PolarHBondContact O-N 3.41Å; V216-V219 PolarHBondContact O-N 3.17Å; V216-C220 PolarHBondContact O-N 3.26Å; V216-F238 HydrophobicContact CG1-CD2 3.84Å; V216-F238 HydrophobicContact CG1-CE2 3.83Å; V216-I241 HydrophobicContact CG2-CG2 4.39Å
217L90.4Very high84.4Confident73 Ų7334.4 Ų34.438%0.38217%0.174SC..Hα-helixtrans-66.6-39.7175.1-70.5172.5000112.4L213 I214 T215 C220 F221L213-L217 HydrophobicContact CD1-CD1 4.05Å; L213-L217 HydrophobicContact CD1-CG 4.19Å; L213-L217 HydrophobicContact CG-CD1 3.93Å; L213-L217 HydrophobicContact CG-CG 4.47Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.4Å; L213-L217 PolarHBondContact O-N 3.42Å; I214-L217 PolarHBondContact O-N 3.29Å; T215-L217 PolarHBondContact O-N 2.87Å; L217-C220 WeakPolarHBondContact O-CA 3.45Å; L217-C220 VanDerWaalsContact O-CB 3.27Å; L217-C220 WeakPolarHBondContact O-CB 3.39Å; L217-C220 PolarHBondContact O-N 3.16Å; L217-C220 VanDerWaalsContact O-N 3.16Å; L217-F221 HydrophobicContact CB-CD2 4.4Å; L217-F221 HydrophobicContact CB-CE2 4.12Å; L217-F221 WeakPolarHBondContact O-CD2 3.45Å; L217-F221 WeakPolarHBondContact O-CG 3.14Å; L217-F221 PolarHBondContact O-N 3.13Å
218L92.1Very high85Confident20 Ų2029.3 Ų29.311%0.10515%0.149CC..Hα-helixtrans-65.9-36.9176.4-76.6170.2000112.6I214 T215 C220 A222 L331 L332 V335I214-L218 HydrophobicContact CG2-CD1 3.82Å; I214-L218 HydrophobicContact CG2-CG 4.34Å; I214-L218 WeakPolarHBondContact O-CB 3.42Å; I214-L218 VanDerWaalsContact O-CG 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.48Å; I214-L218 PolarHBondContact O-N 3Å; T215-L218 PolarHBondContact O-N 2.85Å; L218-C220 VanDerWaalsContact C-N 3.32Å; L218-A222 VanDerWaalsContact O-CB 3.25Å; L218-A222 WeakPolarHBondContact O-CB 3.48Å; L218-A222 PolarHBondContact O-N 3.2Å; L218-L331 HydrophobicContact CD1-CG 4.26Å; L218-L331 HydrophobicContact CD2-CD2 3.86Å; L218-L331 HydrophobicContact CD2-CG 4.19Å; L218-L332 HydrophobicContact CB-CB 4.47Å; L218-L332 HydrophobicContact CB-CD1 3.93Å; L218-V335 HydrophobicContact CD1-CB 4.14Å; L218-V335 HydrophobicContact CD1-CG1 4.37Å; L218-V335 HydrophobicContact CD1-CG2 3.71Å
219V93.3Very high86Confident3 Ų333.1 Ų33.12%0.01817%0.169CC..Hα-helixtrans-63.7-40.7171178.80000110.6T215 V216 G223 Y234 S237 F238 L263 L332T215-V219 WeakPolarHBondContact O-CG2 3.39Å; T215-V219 PolarHBondContact O-N 3.22Å; T215-V219 VanDerWaalsContact O-N 3.1Å; V216-V219 PolarHBondContact O-N 3.17Å; V219-G223 PolarHBondContact O-N 3.03Å; V219-G223 VanDerWaalsContact O-N 3.08Å; V219-Y234 WeakPolarHBondContact CG1-O 3.12Å; V219-S237 WeakPolarHBondContact CG1-OG 3.32Å; V219-F238 HydrophobicContact CG1-CB 3.99Å; V219-L263 HydrophobicContact CG2-CD1 4.32Å; V219-L332 HydrophobicContact CG2-CD1 3.63Å; V219-L332 HydrophobicContact CG2-CD2 4.2Å
220C92.7Very high87.2Confident10 Ų1032.6 Ų32.67%0.06817%0.165CC..Hα-helixtrans-60.9-51.7175.2-163.50000111.9V216 L217 L218 A222 G223 I224 F238V216-C220 PolarHBondContact O-N 3.26Å; L217-C220 WeakPolarHBondContact O-CA 3.45Å; L217-C220 VanDerWaalsContact O-CB 3.27Å; L217-C220 WeakPolarHBondContact O-CB 3.39Å; L217-C220 PolarHBondContact O-N 3.16Å; L217-C220 VanDerWaalsContact O-N 3.16Å; L218-C220 VanDerWaalsContact C-N 3.32Å; C220-A222 PolarHBondContact O-N 3.42Å; C220-G223 PolarHBondContact O-N 3.44Å; C220-G223 VanDerWaalsContact O-N 3.15Å; C220-I224 WeakPolarHBondContact O-CG1 3.48Å; C220-I224 PolarHBondContact O-N 3.39Å; C220-I224 VanDerWaalsContact SG-CD1 3.57Å; C220-F238 HydrophobicContact CB-CD1 4.35Å; C220-F238 HydrophobicContact CB-CD2 3.67Å; C220-F238 HydrophobicContact CB-CE1 4.42Å; C220-F238 HydrophobicContact CB-CE2 3.75Å; C220-F238 HydrophobicContact CB-CG 3.99Å; C220-F238 HydrophobicContact CB-CZ 4.14Å; C220-F238 VanDerWaalsContact SG-CE1 3.51Å; C220-F238 WeakPolarHBondContact SG-CZ 3.31Å
221F91.6Very high88.1Confident108 Ų10828.5 Ų28.547%0.47414%0.144SC..Hα-helixtrans-62.6-41.9178.1-69.5-55.8000112.6L217 G223 I224 T225 I328L217-F221 HydrophobicContact CB-CD2 4.4Å; L217-F221 HydrophobicContact CB-CE2 4.12Å; L217-F221 WeakPolarHBondContact O-CD2 3.45Å; L217-F221 WeakPolarHBondContact O-CG 3.14Å; L217-F221 PolarHBondContact O-N 3.13Å; F221-G223 PolarHBondContact O-N 3.04Å; F221-I224 PolarHBondContact O-N 3.4Å; F221-T225 WeakPolarHBondContact O-CB 3.27Å; F221-T225 PolarHBondContact O-N 3.2Å; F221-T225 PolarHBondContact O-OG1 2.8Å; F221-I328 HydrophobicContact CB-CG2 4.27Å
222A91.8Very high88.8Confident4 Ų427 Ų273%0.03314%0.142CC..Hα-helixtrans-61.2-32.9175.300000112.5L218 C220 Y234 I328 T329 L332L218-A222 VanDerWaalsContact O-CB 3.25Å; L218-A222 WeakPolarHBondContact O-CB 3.48Å; L218-A222 PolarHBondContact O-N 3.2Å; C220-A222 PolarHBondContact O-N 3.42Å; A222-Y234 HydrophobicContact CB-CD2 3.72Å; A222-Y234 HydrophobicContact CB-CE2 4.2Å; A222-Y234 HydrophobicContact CB-CG 3.96Å; A222-I328 HydrophobicContact CB-CG2 4.2Å; A222-T329 HydrophobicContact CB-CG2 4.17Å; A222-L332 HydrophobicContact CB-CD2 3.69Å
223G90.7Very high89.6Confident0 Ų027.4 Ų27.40%015%0.146CC..Hα-helixtrans-74.3-40.4174.300000114.1V219 C220 F221 S231 Y619V219-G223 PolarHBondContact O-N 3.03Å; V219-G223 VanDerWaalsContact O-N 3.08Å; C220-G223 PolarHBondContact O-N 3.44Å; C220-G223 VanDerWaalsContact O-N 3.15Å; F221-G223 PolarHBondContact O-N 3.04Å; G223-S231 WeakPolarHBondContact CA-O 3.4Å; G223-Y619 WeakPolarHBondContact O-CE2 3.33Å
224I90.4Very high90.2Very high7 Ų724.4 Ų24.44%0.03613%0.13CC..Hα-helixtrans-83.9-35.7-173.2-59.8162.9000112.9C220 F221 S226 V653 L656 I660C220-I224 WeakPolarHBondContact O-CG1 3.48Å; C220-I224 PolarHBondContact O-N 3.39Å; C220-I224 VanDerWaalsContact SG-CD1 3.57Å; F221-I224 PolarHBondContact O-N 3.4Å; I224-S226 PolarHBondContact O-N 3.16Å; I224-V653 HydrophobicContact CG2-CB 4.28Å; I224-V653 HydrophobicContact CG2-CG1 4.02Å; I224-V653 HydrophobicContact CG2-CG2 4.45Å; I224-L656 HydrophobicContact CG1-CB 4.49Å; I224-L656 HydrophobicContact CG2-CB 3.83Å; I224-L656 HydrophobicContact CG2-CD1 4.23Å; I224-I660 HydrophobicContact CD1-CD1 3.61Å; I224-I660 HydrophobicContact CG1-CD1 4.04Å
225T86.6Confident90.6Very high12 Ų1220.9 Ų20.97%0.07411%0.112CC..SBendtrans-56.6-55.1-165.5-610000112.6F221 V321 L324 A325 I328 V653F221-T225 WeakPolarHBondContact O-CB 3.27Å; F221-T225 PolarHBondContact O-N 3.2Å; F221-T225 PolarHBondContact O-OG1 2.8Å; T225-V321 HydrophobicContact CG2-CG1 3.72Å; T225-V321 WeakPolarHBondContact CG2-O 3.06Å; T225-V321 WeakPolarHBondContact O-CG1 3.41Å; T225-L324 HydrophobicContact CG2-CB 4.44Å; T225-A325 HydrophobicContact CG2-CB 4.17Å; T225-I328 HydrophobicContact CG2-CD1 4.2Å; T225-V653 WeakPolarHBondContact O-CG2 3.45Å
226S83.5Confident90.9Very high1 Ų124.2 Ų24.21%0.00713%0.129CC..SBendtrans-117.196.2175.5-1760000108.9I224 S228 S231I224-S226 PolarHBondContact O-N 3.16Å; S226-S228 PolarHBondContact O-N 3.4Å; S226-S228 PolarHBondContact O-OG 2.82Å; S226-S231 WeakPolarHBondContact O-CB 3.39Å; S226-S231 PolarHBondContact O-OG 3.25Å
227P86.8Confident91.1Very high10 Ų1024.3 Ų24.37%0.06513%0.131CC..  trans-63.1111178.125.3-33.7000109.7Y619 G622 C652P227-Y619 HydrophobicContact CB-CD2 4.23Å; P227-Y619 HydrophobicContact CB-CE2 3.81Å; P227-G622 WeakPolarHBondContact CG-O 3.45Å; P227-C652 HydrophobicContact CG-CB 4.44Å
228S88.9Confident91.2Very high0 Ų021.2 Ų21.20%011%0.114CC..SBendtrans-155.2166.5-174.863.30000110.9S226 S231 C232 Y619S226-S228 PolarHBondContact O-N 3.4Å; S226-S228 PolarHBondContact O-OG 2.82Å; S228-S231 PolarHBondContact O-N 3.23Å; S228-S231 WeakPolarHBondContact OG-CB 3.09Å; S228-S231 PolarHBondContact OG-N 2.85Å; S228-S231 PolarHBondContact OG-OG 3.47Å; S228-C232 PolarHBondContact O-N 3.22Å; S228-C232 VanDerWaalsContact O-N 3.07Å; S228-Y619 PolarHBondContact N-OH 3.39Å; S228-Y619 PolarHBondContact O-OH 3.35Å
229L90.4Very high91.3Very high100 Ų10020.6 Ų20.652%0.52411%0.111SC..Hα-helixtrans-61.2-41.4177.3-175.864000112.9C232 L295L229-C232 VanDerWaalsContact O-CB 3.23Å; L229-C232 WeakPolarHBondContact O-CB 3.42Å; L229-C232 PolarHBondContact O-N 3.39Å; L229-L295 HydrophobicContact CB-CD1 4.34Å; L229-L295 HydrophobicContact CB-CG 4.26Å; L229-L295 HydrophobicContact CD2-CD2 4.37Å; L229-L295 HydrophobicContact CD2-CG 4.42Å; L229-L295 PolarHBondContact N-O 3.29Å
230P91.5Very high91.1Very high9 Ų923.8 Ų23.86%0.05813%0.133CC..Hα-helixtrans-65.3-46.7172.9-25.236.8000113.9C232 V233 Y266 H270 L296P230-C232 PolarHBondContact O-N 3.06Å; P230-C232 VanDerWaalsContact O-N 3.14Å; P230-V233 WeakPolarHBondContact O-CB 3.2Å; P230-V233 PolarHBondContact O-N 3.47Å; P230-V233 VanDerWaalsContact O-N 3.08Å; P230-Y266 VanDerWaalsContact CA-OH 3.27Å; P230-Y266 WeakPolarHBondContact CA-OH 3.37Å; P230-Y266 PolarHBondContact O-OH 2.8Å; P230-H270 WeakPolarHBondContact CB-NE2 3.27Å; P230-L296 WeakPolarHBondContact CD-O 3.18Å; P230-L296 HydrophobicContact CG-CD2 4.09Å
231S91.4Very high90.8Very high1 Ų124 Ų241%0.00713%0.134CC..Hα-helixtrans-62.9-23179.8-61.40000113G223 S226 S228 V233 Y234 L235 Y619G223-S231 WeakPolarHBondContact CA-O 3.4Å; S226-S231 WeakPolarHBondContact O-CB 3.39Å; S226-S231 PolarHBondContact O-OG 3.25Å; S228-S231 PolarHBondContact O-N 3.23Å; S228-S231 WeakPolarHBondContact OG-CB 3.09Å; S228-S231 PolarHBondContact OG-N 2.85Å; S228-S231 PolarHBondContact OG-OG 3.47Å; S231-V233 PolarHBondContact O-N 3.19Å; S231-Y234 PolarHBondContact O-N 3.47Å; S231-L235 PolarHBondContact O-N 3.3Å; S231-Y619 WeakPolarHBondContact CB-OH 3.22Å
232C92.6Very high90.7Very high26 Ų2619 Ų1918%0.17611%0.112CC..Hα-helixtrans-56.3-33.7174.7-164.90000111.9S228 L229 P230 Y234 L235 L236 Y619S228-C232 PolarHBondContact O-N 3.22Å; S228-C232 VanDerWaalsContact O-N 3.07Å; L229-C232 VanDerWaalsContact O-CB 3.23Å; L229-C232 WeakPolarHBondContact O-CB 3.42Å; L229-C232 PolarHBondContact O-N 3.39Å; P230-C232 PolarHBondContact O-N 3.06Å; P230-C232 VanDerWaalsContact O-N 3.14Å; C232-Y234 VanDerWaalsContact C-N 3.34Å; C232-Y234 PolarHBondContact O-N 2.68Å; C232-L235 PolarHBondContact O-N 3.08Å; C232-L236 WeakPolarHBondContact O-CB 2.97Å; C232-L236 VanDerWaalsContact O-CG 3.32Å; C232-L236 WeakPolarHBondContact O-CG 3.5Å; C232-L236 PolarHBondContact O-N 2.83Å; C232-Y619 HydrophobicContact CB-CE1 3.73Å; C232-Y619 PolarHBondContact N-OH 3.33Å
233V94.1Very high90.7Very high41 Ų4120.3 Ų20.325%0.24812%0.12CC..Hα-helixtrans-63.2-39.4177.2-179.50000111.4P230 S231 S237 F262 Y266P230-V233 WeakPolarHBondContact O-CB 3.2Å; P230-V233 PolarHBondContact O-N 3.47Å; P230-V233 VanDerWaalsContact O-N 3.08Å; S231-V233 PolarHBondContact O-N 3.19Å; V233-S237 VanDerWaalsContact O-CB 3.29Å; V233-S237 WeakPolarHBondContact O-CB 3.22Å; V233-S237 PolarHBondContact O-N 2.76Å; V233-S237 PolarHBondContact O-OG 3.37Å; V233-F262 HydrophobicContact CG1-CE1 3.92Å; V233-F262 HydrophobicContact CG1-CZ 4.33Å; V233-Y266 HydrophobicContact CB-CD1 4.31Å; V233-Y266 HydrophobicContact CB-CE1 3.68Å; V233-Y266 HydrophobicContact CG1-CD1 4.01Å; V233-Y266 HydrophobicContact CG1-CE1 3.88Å; V233-Y266 HydrophobicContact CG1-CG 4.42Å; V233-Y266 HydrophobicContact CG2-CE1 4.06Å; V233-Y266 HydrophobicContact CG2-CE2 4.29Å; V233-Y266 WeakPolarHBondContact CG2-OH 3.3Å
234Y94.2Very high90.5Very high0 Ų023.7 Ų23.70%013%0.133CC..Hα-helixtrans-67.2-47.5174.7-53.2-54.3000111V219 A222 S231 C232 L236 S237 F238 L263 Y266 H270 T329 L332V219-Y234 WeakPolarHBondContact CG1-O 3.12Å; A222-Y234 HydrophobicContact CB-CD2 3.72Å; A222-Y234 HydrophobicContact CB-CE2 4.2Å; A222-Y234 HydrophobicContact CB-CG 3.96Å; S231-Y234 PolarHBondContact O-N 3.47Å; C232-Y234 VanDerWaalsContact C-N 3.34Å; C232-Y234 PolarHBondContact O-N 2.68Å; Y234-L236 PolarHBondContact O-N 2.96Å; Y234-S237 PolarHBondContact O-N 3.41Å; Y234-S237 VanDerWaalsContact O-N 3.16Å; Y234-S237 PolarHBondContact O-OG 2.76Å; Y234-F238 PolarHBondContact O-N 2.76Å; Y234-L263 HydrophobicContact CD1-CD2 4.22Å; Y234-Y266 HydrophobicContact CD1-CD1 4.48Å; Y234-Y266 AromaticContact CE1-CD1 3.67Å; Y234-Y266 HydrophobicContact CE1-CD1 3.67Å; Y234-Y266 HydrophobicContact CE1-CE1 4.06Å; Y234-Y266 AromaticContact CZ-CD1 3.89Å; Y234-Y266 AromaticContact CZ-CE1 3.93Å; Y234-H270 AromaticContact CE2-CE1 3.98Å; Y234-H270 AromaticContact CE2-ND1 3.46Å; Y234-H270 WeakPolarHBondContact CE2-ND1 3.43Å; Y234-H270 AromaticContact CZ-ND1 3.63Å; Y234-H270 WeakPolarHBondContact OH-CB 3.48Å; Y234-H270 PolarHBondContact OH-ND1 3.27Å; Y234-T329 HydrophobicContact CE2-CG2 3.79Å; Y234-L332 HydrophobicContact CD1-CD2 4.07Å; Y234-L332 HydrophobicContact CE1-CD2 4.13Å
235L93.3Very high90.2Very high1 Ų123.7 Ų23.71%0.00513%0.133CC..Hα-helixtrans-59.2-48.8178.8179.261000111.8S231 C232 S237 F238 L239 Y619 I660S231-L235 PolarHBondContact O-N 3.3Å; C232-L235 PolarHBondContact O-N 3.08Å; L235-S237 VanDerWaalsContact C-N 3.3Å; L235-S237 PolarHBondContact O-N 2.8Å; L235-F238 HydrophobicContact CD1-CD1 4.39Å; L235-F238 PolarHBondContact O-N 3.08Å; L235-L239 HydrophobicContact CD1-CD1 4.07Å; L235-L239 HydrophobicContact CD1-CG 4.13Å; L235-L239 HydrophobicContact CG-CD1 3.94Å; L235-L239 HydrophobicContact CG-CG 4.42Å; L235-L239 WeakPolarHBondContact O-CB 3.35Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.36Å; L235-L239 PolarHBondContact O-N 3.4Å; L235-Y619 HydrophobicContact CD2-CD1 4.29Å; L235-Y619 HydrophobicContact CD2-CD2 3.35Å; L235-Y619 HydrophobicContact CD2-CE2 3.81Å; L235-Y619 HydrophobicContact CD2-CG 3.62Å; L235-I660 HydrophobicContact CD1-CD1 4.01Å
236L94.1Very high90.1Very high75 Ų7523.1 Ų23.139%0.39313%0.129SC..Hα-helixtrans-60.3-39.2175.8-73.7169.7000111.8C232 Y234 S240 L616C232-L236 WeakPolarHBondContact O-CB 2.97Å; C232-L236 VanDerWaalsContact O-CG 3.32Å; C232-L236 WeakPolarHBondContact O-CG 3.5Å; C232-L236 PolarHBondContact O-N 2.83Å; Y234-L236 PolarHBondContact O-N 2.96Å; L236-S240 WeakPolarHBondContact O-CB 3.41Å; L236-S240 PolarHBondContact O-N 3.34Å; L236-S240 PolarHBondContact O-OG 3.35Å; L236-L616 HydrophobicContact CD2-CD1 4.5Å; L236-L616 HydrophobicContact CD2-CD2 3.79Å
237S92.3Very high90.2Very high10 Ų1026.2 Ų26.27%0.0715%0.15CC..Hα-helixtrans-67.6-39.9176.177.90000112.6V219 V233 Y234 L235 S240 I241V219-S237 WeakPolarHBondContact CG1-OG 3.32Å; V233-S237 VanDerWaalsContact O-CB 3.29Å; V233-S237 WeakPolarHBondContact O-CB 3.22Å; V233-S237 PolarHBondContact O-N 2.76Å; V233-S237 PolarHBondContact O-OG 3.37Å; Y234-S237 PolarHBondContact O-N 3.41Å; Y234-S237 VanDerWaalsContact O-N 3.16Å; Y234-S237 PolarHBondContact O-OG 2.76Å; L235-S237 VanDerWaalsContact C-N 3.3Å; L235-S237 PolarHBondContact O-N 2.8Å; S237-S240 PolarHBondContact O-N 3.21Å; S237-I241 WeakPolarHBondContact O-CB 3.46Å; S237-I241 WeakPolarHBondContact O-CD1 3.44Å; S237-I241 WeakPolarHBondContact O-CG1 3.36Å; S237-I241 PolarHBondContact O-N 2.9Å
238F93.4Very high89.7Confident8 Ų831.7 Ų31.74%0.03517%0.169CC..Hα-helixtrans-62.2-51.9174164-101.9000111.4V216 V219 C220 Y234 L235 S240 I241 C242 I660 W667V216-F238 HydrophobicContact CG1-CD2 3.84Å; V216-F238 HydrophobicContact CG1-CE2 3.83Å; V219-F238 HydrophobicContact CG1-CB 3.99Å; C220-F238 HydrophobicContact CB-CD1 4.35Å; C220-F238 HydrophobicContact CB-CD2 3.67Å; C220-F238 HydrophobicContact CB-CE1 4.42Å; C220-F238 HydrophobicContact CB-CE2 3.75Å; C220-F238 HydrophobicContact CB-CG 3.99Å; C220-F238 HydrophobicContact CB-CZ 4.14Å; C220-F238 VanDerWaalsContact SG-CE1 3.51Å; C220-F238 WeakPolarHBondContact SG-CZ 3.31Å; Y234-F238 PolarHBondContact O-N 2.76Å; L235-F238 HydrophobicContact CD1-CD1 4.39Å; L235-F238 PolarHBondContact O-N 3.08Å; F238-S240 PolarHBondContact O-N 3.06Å; F238-I241 PolarHBondContact O-N 3.41Å; F238-C242 PolarHBondContact O-N 3.43Å; F238-C242 PolarHBondContact O-SG 3.35Å; F238-I660 HydrophobicContact CE1-CD1 4.21Å; F238-I660 HydrophobicContact CE1-CG1 4.41Å; F238-I660 HydrophobicContact CE1-CG2 3.67Å; F238-I660 HydrophobicContact CZ-CG2 3.74Å; F238-W667 HydrophobicContact CD1-CH2 4.43Å; F238-W667 AromaticContact CE1-CH2 3.73Å; F238-W667 HydrophobicContact CE1-CH2 3.73Å; F238-W667 HydrophobicContact CE1-CZ3 4.16Å; F238-W667 AromaticContact CZ-CH2 3.89Å; F238-W667 HydrophobicContact CZ-CH2 3.89Å; F238-W667 AromaticContact CZ-CZ3 3.88Å; F238-W667 HydrophobicContact CZ-CZ3 3.88Å
239L93.1Very high88.5Confident6 Ų635.2 Ų35.23%0.03119%0.188CC..Hα-helixtrans-58.5-38.8177.1-66.7172000111.2L235 T243 I612 I615 L616 L663 W667L235-L239 HydrophobicContact CD1-CD1 4.07Å; L235-L239 HydrophobicContact CD1-CG 4.13Å; L235-L239 HydrophobicContact CG-CD1 3.94Å; L235-L239 HydrophobicContact CG-CG 4.42Å; L235-L239 WeakPolarHBondContact O-CB 3.35Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.36Å; L235-L239 PolarHBondContact O-N 3.4Å; L239-T243 WeakPolarHBondContact O-CB 3.41Å; L239-T243 PolarHBondContact O-N 3.32Å; L239-T243 PolarHBondContact O-OG1 3.34Å; L239-I612 HydrophobicContact CD1-CG2 4.46Å; L239-I612 HydrophobicContact CD2-CG1 4.49Å; L239-I615 HydrophobicContact CD1-CG2 4.4Å; L239-L616 HydrophobicContact CD1-CD2 4.25Å; L239-L663 HydrophobicContact CD2-CD2 3.58Å; L239-W667 HydrophobicContact CD2-CH2 3.99Å; L239-W667 HydrophobicContact CD2-CZ2 3.97Å
240S89.6Confident87.2Confident71 Ų7138.8 Ų38.850%0.49720%0.199SC..Hα-helixtrans-67.9-46.1176.3-62.20000112.7L236 S237 F238 Y244L236-S240 WeakPolarHBondContact O-CB 3.41Å; L236-S240 PolarHBondContact O-N 3.34Å; L236-S240 PolarHBondContact O-OG 3.35Å; S237-S240 PolarHBondContact O-N 3.21Å; F238-S240 PolarHBondContact O-N 3.06Å; S240-Y244 WeakPolarHBondContact O-CB 3.47Å; S240-Y244 PolarHBondContact O-N 2.9Å
241I87.6Confident85.9Confident14 Ų1439.7 Ų39.77%0.07221%0.205CC..Hα-helixtrans-59.5-50.7178.2-72.4160.9000110.4V216 S237 F238 Y244 W245 F256 L259 F520V216-I241 HydrophobicContact CG2-CG2 4.39Å; S237-I241 WeakPolarHBondContact O-CB 3.46Å; S237-I241 WeakPolarHBondContact O-CD1 3.44Å; S237-I241 WeakPolarHBondContact O-CG1 3.36Å; S237-I241 PolarHBondContact O-N 2.9Å; F238-I241 PolarHBondContact O-N 3.41Å; I241-Y244 PolarHBondContact O-N 2.87Å; I241-W245 WeakPolarHBondContact O-CB 3.49Å; I241-W245 PolarHBondContact O-N 3.46Å; I241-F256 HydrophobicContact CD1-CE2 4.28Å; I241-F256 HydrophobicContact CG1-CE2 4.34Å; I241-F256 HydrophobicContact CG2-CE2 4.21Å; I241-L259 HydrophobicContact CD1-CD2 3.75Å; I241-L259 HydrophobicContact CG1-CD2 3.5Å; I241-L259 VanDerWaalsContact CG1-CD2 3.5Å; I241-F520 HydrophobicContact CG2-CE2 4.3Å; I241-F520 HydrophobicContact CG2-CZ 3.91Å
242C88.9Confident84.7Confident3 Ų341.8 Ų41.82%0.0222%0.219CC..Hα-helixtrans-68.8-39.3-176.8-66.80000112.1F238 W245 A246 W667F238-C242 PolarHBondContact O-N 3.43Å; F238-C242 PolarHBondContact O-SG 3.35Å; C242-W245 PolarHBondContact O-N 2.95Å; C242-A246 WeakPolarHBondContact O-CB 3.32Å; C242-A246 PolarHBondContact O-N 3.39Å; C242-W667 HydrophobicContact CB-CD2 3.77Å; C242-W667 HydrophobicContact CB-CE3 3.63Å; C242-W667 HydrophobicContact CB-CH2 3.32Å; C242-W667 HydrophobicContact CB-CZ2 3.42Å; C242-W667 VanDerWaalsContact CB-CZ2 3.42Å; C242-W667 HydrophobicContact CB-CZ3 3.43Å; C242-W667 VanDerWaalsContact CB-CZ3 3.43Å
243T90.8Very high83.5Confident32 Ų3243 Ų4320%0.19623%0.228CC..Hα-helixtrans-68.5-39.4174.7-54.80000111.8L239 W245 A246 C247 V608 I612 W667L239-T243 WeakPolarHBondContact O-CB 3.41Å; L239-T243 PolarHBondContact O-N 3.32Å; L239-T243 PolarHBondContact O-OG1 3.34Å; T243-W245 PolarHBondContact O-N 3.31Å; T243-A246 PolarHBondContact O-N 3.46Å; T243-C247 VanDerWaalsContact O-CB 3.31Å; T243-C247 WeakPolarHBondContact O-CB 3.36Å; T243-C247 PolarHBondContact O-N 2.94Å; T243-C247 PolarHBondContact O-SG 3.29Å; T243-V608 HydrophobicContact CG2-CG1 4.42Å; T243-I612 HydrophobicContact CG2-CD1 4.46Å; T243-I612 WeakPolarHBondContact OG1-CD1 3.45Å; T243-W667 PolarHBondContact OG1-NE1 2.99Å
244Y87.2Confident82.6Confident70 Ų7045.9 Ų45.928%0.27525%0.246SC..Hα-helixtrans-61.6-42.8174.7-178.6-84.7000111.8S240 I241 C247 R248 V251 S252S240-Y244 WeakPolarHBondContact O-CB 3.47Å; S240-Y244 PolarHBondContact O-N 2.9Å; I241-Y244 PolarHBondContact O-N 2.87Å; Y244-C247 PolarHBondContact O-N 2.98Å; Y244-R248 VanDerWaalsContact CZ-CD 3.49Å; Y244-R248 PolarHBondContact O-N 2.9Å; Y244-R248 PolarHBondContact OH-NH1 3.43Å; Y244-V251 HydrophobicContact CE1-CG1 4.28Å; Y244-S252 PolarHBondContact OH-OG 3.32Å
245W84Confident81.8Confident8 Ų848.5 Ų48.53%0.0326%0.263CS..Hα-helixtrans-62.6-44.5173.8163.470.7000112.7I241 C242 T243 C247 F520 F524 W667 L668 R671I241-W245 WeakPolarHBondContact O-CB 3.49Å; I241-W245 PolarHBondContact O-N 3.46Å; C242-W245 PolarHBondContact O-N 2.95Å; T243-W245 PolarHBondContact O-N 3.31Å; W245-C247 VanDerWaalsContact C-N 3.27Å; W245-C247 PolarHBondContact O-N 2.89Å; W245-F520 HydrophobicContact CB-CD1 4.16Å; W245-F520 HydrophobicContact CB-CE1 3.62Å; W245-F520 HydrophobicContact CB-CZ 4.36Å; W245-F520 AromaticContact CD1-CD1 3.34Å; W245-F520 AromaticContact CD1-CE1 3.53Å; W245-F520 HydrophobicContact CD2-CE1 4.41Å; W245-F520 AromaticContact CG-CD1 3.84Å; W245-F520 HydrophobicContact CG-CD1 3.84Å; W245-F520 AromaticContact CG-CE1 3.52Å; W245-F520 HydrophobicContact CG-CE1 3.52Å; W245-F524 HydrophobicContact CD2-CB 4.48Å; W245-F524 AromaticContact CD2-CD2 3.72Å; W245-F524 HydrophobicContact CD2-CD2 3.72Å; W245-F524 HydrophobicContact CD2-CE2 4.23Å; W245-F524 HydrophobicContact CD2-CG 4.27Å; W245-F524 AromaticContact CE2-CD2 3.65Å; W245-F524 AromaticContact CE2-CG 3.92Å; W245-F524 HydrophobicContact CE3-CD2 4.02Å; W245-F524 HydrophobicContact CE3-CE2 4.31Å; W245-F524 HydrophobicContact CE3-CG 4.33Å; W245-F524 HydrophobicContact CG-CD2 4.27Å; W245-F524 HydrophobicContact CH2-CB 3.51Å; W245-F524 HydrophobicContact CH2-CD1 4.34Å; W245-F524 HydrophobicContact CH2-CD2 4.27Å; W245-F524 AromaticContact CH2-CG 3.82Å; W245-F524 HydrophobicContact CH2-CG 3.82Å; W245-F524 HydrophobicContact CZ2-CB 3.14Å; W245-F524 AromaticContact CZ2-CD2 3.98Å; W245-F524 HydrophobicContact CZ2-CD2 3.98Å; W245-F524 AromaticContact CZ2-CG 3.73Å; W245-F524 HydrophobicContact CZ2-CG 3.73Å; W245-F524 HydrophobicContact CZ3-CB 4.29Å; W245-F524 HydrophobicContact CZ3-CD1 4.44Å; W245-F524 HydrophobicContact CZ3-CD2 4.27Å; W245-F524 HydrophobicContact CZ3-CG 4.1Å; W245-F524 AromaticContact NE1-CD2 4Å; W245-W667 HydrophobicContact CZ3-CB 4.18Å; W245-L668 HydrophobicContact CH2-CD2 4.26Å; W245-R671 HydrophobicContact CH2-CB 3.83Å; W245-R671 HydrophobicContact CH2-CG 3.84Å; W245-R671 HydrophobicContact CZ2-CB 4.02Å; W245-R671 HydrophobicContact CZ2-CG 3.5Å; W245-R671 VanDerWaalsContact CZ2-CG 3.5Å; W245-R671 HydrophobicContact CZ3-CB 4.44Å; W245-R671 PolarHBondContact O-NH1 2.84Å
246A85.3Confident81.1Confident0 Ų049.9 Ų49.90%027%0.269CS..Hα-helixtrans-62.7-36.1177.400000111.8C242 T243 W667 L670 V674C242-A246 WeakPolarHBondContact O-CB 3.32Å; C242-A246 PolarHBondContact O-N 3.39Å; T243-A246 PolarHBondContact O-N 3.46Å; A246-W667 HydrophobicContact CB-CB 4.16Å; A246-W667 HydrophobicContact CB-CG 4.36Å; A246-L670 HydrophobicContact CB-CB 4.33Å; A246-L670 HydrophobicContact CB-CD2 3.94Å; A246-L670 HydrophobicContact CB-CG 4.08Å; A246-V674 WeakPolarHBondContact O-CG2 3.36Å
247C85.6Confident80.4Confident65 Ų6546.5 Ų46.544%0.43925%0.252SS..Hα-helixtrans-81.5-18.6-176.6-75.50000116.1T243 Y244 W245T243-C247 VanDerWaalsContact O-CB 3.31Å; T243-C247 WeakPolarHBondContact O-CB 3.36Å; T243-C247 PolarHBondContact O-N 2.94Å; T243-C247 PolarHBondContact O-SG 3.29Å; Y244-C247 PolarHBondContact O-N 2.98Å; W245-C247 VanDerWaalsContact C-N 3.27Å; W245-C247 PolarHBondContact O-N 2.89Å
248R75.7Confident80.1Confident125 Ų12549.8 Ų49.847%0.47228%0.275SS..  trans-123.4128.1-172.4-71.6-169174.5-152-3.9114Y244 K250 R671Y244-R248 VanDerWaalsContact CZ-CD 3.49Å; Y244-R248 PolarHBondContact O-N 2.9Å; Y244-R248 PolarHBondContact OH-NH1 3.43Å; R248-K250 VanDerWaalsContact C-N 3.29Å; R248-K250 PolarHBondContact O-N 3.16Å; R248-R671 PolarHBondContact O-NH1 3.4Å
249N62.7Low79.8Confident74 Ų7451.9 Ų51.940%0.39629%0.286SS..SBendtrans-76-8.2179.2-164.167.6000115.1V674 A678N249-V674 HydrophobicContact CB-CG1 4.28Å; N249-A678 HydrophobicContact CB-CB 4.21Å
250K64.9Low79.5Confident176 Ų17652.5 Ų52.577%0.76529%0.288SS*.SBendtrans-141.8127.7165.7-72.4-167.5175.9-170.80108R248R248-K250 VanDerWaalsContact C-N 3.29Å; R248-K250 PolarHBondContact O-N 3.16Å
251V62.8Low79.5Confident28 Ų2852.9 Ų52.917%0.1728%0.284CS..  trans-87.1113.7173.5175.80000109.2Y244 F520Y244-V251 HydrophobicContact CE1-CG1 4.28Å; V251-F520 HydrophobicContact CB-CB 3.96Å; V251-F520 HydrophobicContact CG1-CB 4.13Å; V251-F520 HydrophobicContact CG1-CD2 4.46Å; V251-F520 HydrophobicContact CG1-CG 4.4Å; V251-F520 HydrophobicContact CG2-CB 3.94Å; V251-F520 HydrophobicContact CG2-CD1 4.34Å; V251-F520 HydrophobicContact CG2-CG 4.2Å
252S65.9Low79.7Confident45 Ų4557.5 Ų57.532%0.31530%0.303SS..  trans-69.9129.6170.949.60000110.6Y244 T254 P255Y244-S252 PolarHBondContact OH-OG 3.32Å; S252-T254 VanDerWaalsContact C-N 3.34Å; S252-T254 PolarHBondContact O-N 3.27Å; S252-P255 WeakPolarHBondContact O-CD 3.46Å; S252-P255 WeakPolarHBondContact OG-CD 3.23Å; S252-P255 VanDerWaalsContact OG-CG 3.32Å; S252-P255 WeakPolarHBondContact OG-CG 3.33Å
253S68.2Low79.9Confident52 Ų5257.5 Ų57.536%0.36430%0.303SS..Hα-helixtrans-64.9-32.4-176.152.50000114F256 A257S253-F256 PolarHBondContact O-N 2.92Å; S253-A257 PolarHBondContact O-N 2.9Å
254T75.4Confident79.9Confident101 Ų10156.8 Ų56.862%0.6230%0.298SS*.Hα-helixtrans-63.2-52.2-172.5450000115.5S252 F256 A257 S258S252-T254 VanDerWaalsContact C-N 3.34Å; S252-T254 PolarHBondContact O-N 3.27Å; T254-F256 VanDerWaalsContact C-N 3.26Å; T254-F256 PolarHBondContact O-N 3.42Å; T254-A257 PolarHBondContact O-N 3.34Å; T254-S258 PolarHBondContact O-N 3.21Å
255P78Confident80.2Confident55 Ų5557.7 Ų57.736%0.35731%0.31SS..Hα-helixtrans-63.6-31.4175.825-35.5000112.6S252 S258 L259S252-P255 WeakPolarHBondContact O-CD 3.46Å; S252-P255 WeakPolarHBondContact OG-CD 3.23Å; S252-P255 VanDerWaalsContact OG-CG 3.32Å; S252-P255 WeakPolarHBondContact OG-CG 3.33Å; P255-S258 PolarHBondContact O-N 2.87Å; P255-L259 WeakPolarHBondContact O-CB 3.49Å; P255-L259 PolarHBondContact O-N 3.38Å
256F77.6Confident80.7Confident30 Ų3059.9 Ų59.913%0.13232%0.319CS..Hα-helixtrans-75.4-26.5177.3-169.8-100.2000112.9M212 I241 S253 T254 R260 F520M212-F256 HydrophobicContact CE-CD1 4.4Å; M212-F256 HydrophobicContact CE-CE1 3.48Å; M212-F256 VanDerWaalsContact CE-CE1 3.48Å; M212-F256 HydrophobicContact CE-CZ 3.57Å; M212-F256 HydrophobicContact SD-CE1 3.83Å; M212-F256 HydrophobicContact SD-CZ 4.18Å; I241-F256 HydrophobicContact CD1-CE2 4.28Å; I241-F256 HydrophobicContact CG1-CE2 4.34Å; I241-F256 HydrophobicContact CG2-CE2 4.21Å; S253-F256 PolarHBondContact O-N 2.92Å; T254-F256 VanDerWaalsContact C-N 3.26Å; T254-F256 PolarHBondContact O-N 3.42Å; F256-R260 HydrophobicContact CD1-CG 4.47Å; F256-R260 HydrophobicContact CE1-CG 4.08Å; F256-R260 HydrophobicContact CZ-CG 4.26Å; F256-R260 WeakPolarHBondContact O-CB 3.33Å; F256-R260 VanDerWaalsContact O-CG 3.3Å; F256-R260 WeakPolarHBondContact O-CG 3.45Å; F256-R260 PolarHBondContact O-N 2.96Å; F256-R260 PolarHBondContact O-NE 3.14Å; F256-F520 HydrophobicContact CD2-CE2 4.49Å; F256-F520 HydrophobicContact CE2-CE2 4.02Å; F256-F520 HydrophobicContact CZ-CE2 4.2Å
257A80.1Confident81Confident4 Ų459.9 Ų59.93%0.03332%0.319CS..Hα-helixtrans-68.5-47.7166.100000111.4S253 T254 L259 R260 I261 W343S253-A257 PolarHBondContact O-N 2.9Å; T254-A257 PolarHBondContact O-N 3.34Å; A257-L259 PolarHBondContact O-N 3.23Å; A257-R260 PolarHBondContact O-N 3.21Å; A257-I261 WeakPolarHBondContact O-CG1 3.32Å; A257-I261 PolarHBondContact O-N 3.3Å; A257-W343 HydrophobicContact CB-CD2 4.2Å; A257-W343 HydrophobicContact CB-CE3 4.25Å; A257-W343 HydrophobicContact CB-CH2 3.56Å; A257-W343 HydrophobicContact CB-CZ2 3.48Å; A257-W343 VanDerWaalsContact CB-CZ2 3.48Å; A257-W343 HydrophobicContact CB-CZ3 3.95Å
258S85.2Confident81.3Confident79 Ų7957.2 Ų57.255%0.55230%0.302SS*.Hα-helixtrans-57.4-48.4177.1-175.40000112.3T254 P255 R260 I261 F262T254-S258 PolarHBondContact O-N 3.21Å; P255-S258 PolarHBondContact O-N 2.87Å; S258-R260 PolarHBondContact O-N 3.13Å; S258-I261 PolarHBondContact O-N 2.88Å; S258-I261 VanDerWaalsContact O-N 3.15Å; S258-F262 PolarHBondContact O-N 3.32Å
259L86.8Confident82.2Confident51 Ų5156.7 Ų56.727%0.26731%0.308SS..Hα-helixtrans-63.2-37.3178.6-176.960000113I241 P255 A257 F262 L263I241-L259 HydrophobicContact CD1-CD2 3.75Å; I241-L259 HydrophobicContact CG1-CD2 3.5Å; I241-L259 VanDerWaalsContact CG1-CD2 3.5Å; P255-L259 WeakPolarHBondContact O-CB 3.49Å; P255-L259 PolarHBondContact O-N 3.38Å; A257-L259 PolarHBondContact O-N 3.23Å; L259-F262 HydrophobicContact CD1-CD1 4.31Å; L259-F262 PolarHBondContact O-N 2.97Å; L259-L263 HydrophobicContact CD1-CD1 4.33Å; L259-L263 HydrophobicContact CD1-CG 4.24Å; L259-L263 HydrophobicContact CG-CD1 4.17Å; L259-L263 HydrophobicContact CG-CG 4.49Å; L259-L263 WeakPolarHBondContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CG 3.16Å; L259-L263 PolarHBondContact O-N 3.5Å
260R87.3Confident83.6Confident20 Ų2053.4 Ų53.48%0.07529%0.291CS..Hα-helixtrans-64.1-39.8173.6-78.7-179.8-66.8156.84.7112.1F256 A257 S258 L264 L336F256-R260 HydrophobicContact CD1-CG 4.47Å; F256-R260 HydrophobicContact CE1-CG 4.08Å; F256-R260 HydrophobicContact CZ-CG 4.26Å; F256-R260 WeakPolarHBondContact O-CB 3.33Å; F256-R260 VanDerWaalsContact O-CG 3.3Å; F256-R260 WeakPolarHBondContact O-CG 3.45Å; F256-R260 PolarHBondContact O-N 2.96Å; F256-R260 PolarHBondContact O-NE 3.14Å; A257-R260 PolarHBondContact O-N 3.21Å; S258-R260 PolarHBondContact O-N 3.13Å; R260-L264 WeakPolarHBondContact O-CB 3.1Å; R260-L264 PolarHBondContact O-N 3.12Å; R260-L336 HydrophobicContact CB-CD2 4.47Å; R260-L336 HydrophobicContact CG-CD2 4.23Å
261I88.7Confident84.9Confident79 Ų7945.5 Ų45.541%0.40526%0.257SS..Hα-helixtrans-66.8-42.6176.7-66164.1000110.7A257 S258 L264 V265 T340A257-I261 WeakPolarHBondContact O-CG1 3.32Å; A257-I261 PolarHBondContact O-N 3.3Å; S258-I261 PolarHBondContact O-N 2.88Å; S258-I261 VanDerWaalsContact O-N 3.15Å; I261-L264 WeakPolarHBondContact O-CB 3.34Å; I261-L264 PolarHBondContact O-N 3.39Å; I261-V265 PolarHBondContact O-N 3.5Å; I261-V265 VanDerWaalsContact O-N 3.08Å; I261-T340 HydrophobicContact CG1-CG2 3.86Å
262F92.8Very high86.2Confident110 Ų11045 Ų4548%0.48226%0.255SS..Hα-helixtrans-59.4-52.4173.8173.1-98.4000112V233 S258 L259 L264 V265 Y266V233-F262 HydrophobicContact CG1-CE1 3.92Å; V233-F262 HydrophobicContact CG1-CZ 4.33Å; S258-F262 PolarHBondContact O-N 3.32Å; L259-F262 HydrophobicContact CD1-CD1 4.31Å; L259-F262 PolarHBondContact O-N 2.97Å; F262-L264 PolarHBondContact O-N 2.92Å; F262-V265 PolarHBondContact O-N 2.92Å; F262-Y266 WeakPolarHBondContact O-CB 3.44Å; F262-Y266 PolarHBondContact O-N 3.19Å
263L92.5Very high87.4Confident3 Ų345.4 Ų45.42%0.01625%0.253CS..Hα-helixtrans-63.5-30.3178.8-70.1175.3000112.7V219 Y234 L259 S267 L336V219-L263 HydrophobicContact CG2-CD1 4.32Å; Y234-L263 HydrophobicContact CD1-CD2 4.22Å; L259-L263 HydrophobicContact CD1-CD1 4.33Å; L259-L263 HydrophobicContact CD1-CG 4.24Å; L259-L263 HydrophobicContact CG-CD1 4.17Å; L259-L263 HydrophobicContact CG-CG 4.49Å; L259-L263 WeakPolarHBondContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CG 3.16Å; L259-L263 PolarHBondContact O-N 3.5Å; L263-S267 VanDerWaalsContact O-CB 3.32Å; L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 3.05Å; L263-S267 PolarHBondContact O-OG 3.39Å; L263-L336 HydrophobicContact CB-CD1 3.81Å
264L91.9Very high88.4Confident18 Ų1843.7 Ų43.79%0.09424%0.239CC..Hα-helixtrans-65.9-49.4174.6171.558.7000111.8R260 I261 F262 S267 G268 Y333 L336 V337 T340R260-L264 WeakPolarHBondContact O-CB 3.1Å; R260-L264 PolarHBondContact O-N 3.12Å; I261-L264 WeakPolarHBondContact O-CB 3.34Å; I261-L264 PolarHBondContact O-N 3.39Å; F262-L264 PolarHBondContact O-N 2.92Å; L264-S267 PolarHBondContact O-OG 3.34Å; L264-G268 PolarHBondContact O-N 3.41Å; L264-G268 VanDerWaalsContact O-N 3.17Å; L264-Y333 HydrophobicContact CD1-CD2 3.58Å; L264-Y333 HydrophobicContact CD1-CE2 3.42Å; L264-Y333 VanDerWaalsContact CD1-CE2 3.42Å; L264-Y333 HydrophobicContact CD1-CG 4.26Å; L264-Y333 HydrophobicContact CG-CE2 4.4Å; L264-Y333 WeakPolarHBondContact O-CD2 3.44Å; L264-Y333 WeakPolarHBondContact O-CE2 3.07Å; L264-L336 HydrophobicContact CB-CB 4.22Å; L264-L336 HydrophobicContact CD1-CB 4.17Å; L264-V337 HydrophobicContact CD1-CB 4.38Å; L264-V337 HydrophobicContact CD1-CG2 3.35Å; L264-V337 HydrophobicContact CD2-CG2 4.34Å; L264-V337 HydrophobicContact CG-CG2 4.48Å; L264-T340 HydrophobicContact CD2-CG2 4.44Å
265V92.4Very high89.1Confident88 Ų8839.7 Ų39.753%0.53321%0.212SC..Hα-helixtrans-64.3-43.9176.2176.30000110.3I261 F262 G268 L269I261-V265 PolarHBondContact O-N 3.5Å; I261-V265 VanDerWaalsContact O-N 3.08Å; F262-V265 PolarHBondContact O-N 2.92Å; V265-G268 PolarHBondContact O-N 2.92Å; V265-L269 HydrophobicContact CG1-CD1 4.06Å; V265-L269 WeakPolarHBondContact O-CG 3.12Å; V265-L269 PolarHBondContact O-N 3.43Å
266Y94.4Very high89.6Confident54 Ų5439 Ų3921%0.21221%0.205CC..Hα-helixtrans-63.4-43.9-179.1-170.3-99.8000113P230 V233 Y234 F262 L269 H270P230-Y266 VanDerWaalsContact CA-OH 3.27Å; P230-Y266 WeakPolarHBondContact CA-OH 3.37Å; P230-Y266 PolarHBondContact O-OH 2.8Å; V233-Y266 HydrophobicContact CB-CD1 4.31Å; V233-Y266 HydrophobicContact CB-CE1 3.68Å; V233-Y266 HydrophobicContact CG1-CD1 4.01Å; V233-Y266 HydrophobicContact CG1-CE1 3.88Å; V233-Y266 HydrophobicContact CG1-CG 4.42Å; V233-Y266 HydrophobicContact CG2-CE1 4.06Å; V233-Y266 HydrophobicContact CG2-CE2 4.29Å; V233-Y266 WeakPolarHBondContact CG2-OH 3.3Å; Y234-Y266 HydrophobicContact CD1-CD1 4.48Å; Y234-Y266 AromaticContact CE1-CD1 3.67Å; Y234-Y266 HydrophobicContact CE1-CD1 3.67Å; Y234-Y266 HydrophobicContact CE1-CE1 4.06Å; Y234-Y266 AromaticContact CZ-CD1 3.89Å; Y234-Y266 AromaticContact CZ-CE1 3.93Å; F262-Y266 WeakPolarHBondContact O-CB 3.44Å; F262-Y266 PolarHBondContact O-N 3.19Å; Y266-L269 PolarHBondContact O-N 3.15Å; Y266-H270 WeakPolarHBondContact O-CB 3.21Å; Y266-H270 PolarHBondContact O-N 2.96Å
267S93.3Very high90.1Very high0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-66.2-35.4175.5510000113L263 L264 H270 V271L263-S267 VanDerWaalsContact O-CB 3.32Å; L263-S267 WeakPolarHBondContact O-CB 3.49Å; L263-S267 PolarHBondContact O-N 3.05Å; L263-S267 PolarHBondContact O-OG 3.39Å; L264-S267 PolarHBondContact O-OG 3.34Å; S267-H270 PolarHBondContact O-N 3.27Å; S267-V271 WeakPolarHBondContact O-CG2 3.44Å; S267-V271 PolarHBondContact O-N 3.08Å
268G91.6Very high90.5Very high9 Ų937.8 Ų37.89%0.09320%0.2CC..Hα-helixtrans-62.2-47.5172.800000112.4L264 V265 H270 V271 C272L264-G268 PolarHBondContact O-N 3.41Å; L264-G268 VanDerWaalsContact O-N 3.17Å; V265-G268 PolarHBondContact O-N 2.92Å; G268-H270 PolarHBondContact O-N 3.03Å; G268-V271 PolarHBondContact O-N 3.49Å; G268-C272 PolarHBondContact O-N 3Å; G268-C272 VanDerWaalsContact O-N 3.12Å; G268-C272 PolarHBondContact O-SG 3.39Å
269L93.1Very high90.5Very high114 Ų11434.5 Ų34.560%0.59718%0.175SC*.Hα-helixtrans-63.8-38.6176.6-69172.6000112.6V265 Y266 C272 L273V265-L269 HydrophobicContact CG1-CD1 4.06Å; V265-L269 WeakPolarHBondContact O-CG 3.12Å; V265-L269 PolarHBondContact O-N 3.43Å; Y266-L269 PolarHBondContact O-N 3.15Å; L269-C272 WeakPolarHBondContact O-CB 3.34Å; L269-C272 PolarHBondContact O-N 3.31Å; L269-L273 PolarHBondContact O-N 2.9Å
270H93.3Very high90.1Very high5 Ų534 Ų342%0.02318%0.175CC..Hα-helixtrans-70-38179.7-167.2-165.3000112.5P230 Y234 Y266 S267 G268 C272 L273 Y274P230-H270 WeakPolarHBondContact CB-NE2 3.27Å; Y234-H270 AromaticContact CE2-CE1 3.98Å; Y234-H270 AromaticContact CE2-ND1 3.46Å; Y234-H270 WeakPolarHBondContact CE2-ND1 3.43Å; Y234-H270 AromaticContact CZ-ND1 3.63Å; Y234-H270 WeakPolarHBondContact OH-CB 3.48Å; Y234-H270 PolarHBondContact OH-ND1 3.27Å; Y266-H270 WeakPolarHBondContact O-CB 3.21Å; Y266-H270 PolarHBondContact O-N 2.96Å; S267-H270 PolarHBondContact O-N 3.27Å; G268-H270 PolarHBondContact O-N 3.03Å; H270-C272 VanDerWaalsContact C-N 3.34Å; H270-L273 WeakPolarHBondContact O-CB 3.36Å; H270-L273 PolarHBondContact O-N 3.42Å; H270-Y274 AromaticContact CD2-CE2 3.8Å; H270-Y274 AromaticContact CE1-CE2 3.61Å; H270-Y274 AromaticContact CE1-CZ 3.59Å; H270-Y274 PolarHBondContact CE1-OH 3.48Å; H270-Y274 AromaticContact NE2-CE1 3.88Å; H270-Y274 AromaticContact NE2-CE2 3.47Å; H270-Y274 WeakPolarHBondContact NE2-CE2 3.49Å; H270-Y274 AromaticContact NE2-CZ 3.29Å; H270-Y274 VanDerWaalsContact NE2-CZ 3.29Å; H270-Y274 PolarHBondContact NE2-OH 3.43Å; H270-Y274 WeakPolarHBondContact O-CD2 3.46Å; H270-Y274 PolarHBondContact O-N 2.98Å
271V91.3Very high89.7Confident11 Ų1138.1 Ų38.17%0.06719%0.194CC..Hα-helixtrans-62.5-41171.1169.70000111L35 S267 G268 L273 Y274 Y275 M330L35-V271 HydrophobicContact CD1-CG1 4.26Å; S267-V271 WeakPolarHBondContact O-CG2 3.44Å; S267-V271 PolarHBondContact O-N 3.08Å; G268-V271 PolarHBondContact O-N 3.49Å; V271-L273 PolarHBondContact O-N 2.84Å; V271-Y274 PolarHBondContact O-N 2.92Å; V271-Y275 PolarHBondContact O-N 3.4Å; V271-Y275 VanDerWaalsContact O-N 3.17Å; V271-M330 HydrophobicContact CG2-CB 4.13Å
272C91.4Very high89.4Confident17 Ų1737.1 Ų37.112%0.11519%0.187CC..Hα-helixtrans-62.1-40172.1-70.50000112.5F32 G268 L269 H270 Y275 L276F32-C272 HydrophobicContact CE2-CB 4.19Å; G268-C272 PolarHBondContact O-N 3Å; G268-C272 VanDerWaalsContact O-N 3.12Å; G268-C272 PolarHBondContact O-SG 3.39Å; L269-C272 WeakPolarHBondContact O-CB 3.34Å; L269-C272 PolarHBondContact O-N 3.31Å; H270-C272 VanDerWaalsContact C-N 3.34Å; C272-Y275 PolarHBondContact O-N 3.28Å; C272-L276 WeakPolarHBondContact O-CB 3.45Å; C272-L276 VanDerWaalsContact O-CG 3.28Å; C272-L276 WeakPolarHBondContact O-CG 3.12Å; C272-L276 PolarHBondContact O-N 3.2Å
273L90.8Very high89Confident53 Ų5332.6 Ų32.628%0.27717%0.167SC..Hα-helixtrans-63.3-47177.4-179.164.3000112.2L269 H270 V271 Y275 L276 Y277 L298L269-L273 PolarHBondContact O-N 2.9Å; H270-L273 WeakPolarHBondContact O-CB 3.36Å; H270-L273 PolarHBondContact O-N 3.42Å; V271-L273 PolarHBondContact O-N 2.84Å; L273-Y275 PolarHBondContact O-N 2.94Å; L273-L276 PolarHBondContact O-N 2.89Å; L273-Y277 PolarHBondContact O-N 3.39Å; L273-L298 HydrophobicContact CD2-CD2 4.42Å; L273-L298 HydrophobicContact CG-CD2 4.17Å
274Y89.3Confident88.3Confident16 Ų1635.8 Ų35.86%0.06319%0.194CC..Hα-helixtrans-57.7-37.3175.1-77.3-48.9000112.5H270 V271 Q278 L298 P326 T329H270-Y274 AromaticContact CD2-CE2 3.8Å; H270-Y274 AromaticContact CE1-CE2 3.61Å; H270-Y274 AromaticContact CE1-CZ 3.59Å; H270-Y274 PolarHBondContact CE1-OH 3.48Å; H270-Y274 AromaticContact NE2-CE1 3.88Å; H270-Y274 AromaticContact NE2-CE2 3.47Å; H270-Y274 WeakPolarHBondContact NE2-CE2 3.49Å; H270-Y274 AromaticContact NE2-CZ 3.29Å; H270-Y274 VanDerWaalsContact NE2-CZ 3.29Å; H270-Y274 PolarHBondContact NE2-OH 3.43Å; H270-Y274 WeakPolarHBondContact O-CD2 3.46Å; H270-Y274 PolarHBondContact O-N 2.98Å; V271-Y274 PolarHBondContact O-N 2.92Å; Y274-Q278 PolarHBondContact O-NE2 3.26Å; Y274-L298 HydrophobicContact CD1-CD2 4.18Å; Y274-P326 HydrophobicContact CD1-CG 4.36Å; Y274-P326 HydrophobicContact CD2-CB 4.04Å; Y274-P326 HydrophobicContact CD2-CG 4.06Å; Y274-P326 HydrophobicContact CE2-CG 4.43Å; Y274-P326 HydrophobicContact CG-CB 4.3Å; Y274-P326 HydrophobicContact CG-CG 4.02Å; Y274-T329 HydrophobicContact CE2-CG2 4.31Å
275Y89.2Confident87.9Confident17 Ų1743.4 Ų43.47%0.06723%0.226CC..Hα-helixtrans-73.2-44179-161-88.6000112.4T23 R26 Y27 S31 F32 L35 V271 C272 L273 Y277 Q278 F279T23-Y275 VanDerWaalsContact O-CE2 3.23Å; T23-Y275 WeakPolarHBondContact O-CE2 3.48Å; T23-Y275 PolarHBondContact O-OH 2.98Å; R26-Y275 PolarHBondContact O-OH 2.56Å; Y27-Y275 HydrophobicContact CD1-CD1 4.34Å; Y27-Y275 AromaticContact CD1-CD2 3.8Å; Y27-Y275 HydrophobicContact CD1-CD2 3.8Å; Y27-Y275 HydrophobicContact CD1-CE1 4.03Å; Y27-Y275 AromaticContact CD1-CE2 3.43Å; Y27-Y275 HydrophobicContact CD1-CE2 3.43Å; Y27-Y275 VanDerWaalsContact CD1-CE2 3.43Å; Y27-Y275 HydrophobicContact CD1-CG 4.24Å; Y27-Y275 AromaticContact CD1-CZ 3.56Å; Y27-Y275 AromaticContact CE1-CD2 3.73Å; Y27-Y275 HydrophobicContact CE1-CD2 3.73Å; Y27-Y275 AromaticContact CE1-CE2 3.51Å; Y27-Y275 HydrophobicContact CE1-CE2 3.51Å; Y27-Y275 HydrophobicContact CE1-CG 4.5Å; Y27-Y275 HydrophobicContact CG-CE2 4.43Å; S31-Y275 VanDerWaalsContact CB-OH 3.23Å; S31-Y275 WeakPolarHBondContact CB-OH 3.43Å; F32-Y275 HydrophobicContact CB-CD1 4.26Å; F32-Y275 HydrophobicContact CB-CE1 3.97Å; F32-Y275 AromaticContact CD2-CD1 3.79Å; F32-Y275 HydrophobicContact CD2-CD1 3.79Å; F32-Y275 HydrophobicContact CD2-CE1 4.33Å; L35-Y275 HydrophobicContact CD2-CD1 4.04Å; L35-Y275 HydrophobicContact CD2-CD2 3.81Å; L35-Y275 HydrophobicContact CD2-CE2 4.49Å; L35-Y275 HydrophobicContact CD2-CG 3.56Å; V271-Y275 PolarHBondContact O-N 3.4Å; V271-Y275 VanDerWaalsContact O-N 3.17Å; C272-Y275 PolarHBondContact O-N 3.28Å; L273-Y275 PolarHBondContact O-N 2.94Å; Y275-Y277 VanDerWaalsContact C-N 3.3Å; Y275-Y277 PolarHBondContact O-N 3.21Å; Y275-Q278 WeakPolarHBondContact O-CB 3.37Å; Y275-Q278 PolarHBondContact O-N 3.27Å; Y275-Q278 VanDerWaalsContact O-N 3.08Å; Y275-F279 AromaticContact CD1-CE2 3.95Å; Y275-F279 HydrophobicContact CD1-CE2 3.95Å; Y275-F279 AromaticContact CE1-CE2 3.97Å; Y275-F279 HydrophobicContact CE1-CE2 3.97Å
276L88.5Confident87.5Confident40 Ų4039.5 Ų39.521%0.20920%0.203CC..Hα-helixtrans-64-33.3178.1-74169000112.2F32 C272 L273 Q278 F279 F282F32-L276 HydrophobicContact CD2-CD2 4.1Å; F32-L276 HydrophobicContact CD2-CG 4.34Å; F32-L276 HydrophobicContact CE1-CD2 4.44Å; F32-L276 HydrophobicContact CE2-CD1 4.16Å; F32-L276 HydrophobicContact CE2-CD2 3.9Å; F32-L276 HydrophobicContact CE2-CG 3.84Å; F32-L276 HydrophobicContact CG-CD2 4.45Å; F32-L276 HydrophobicContact CZ-CD1 4.16Å; F32-L276 HydrophobicContact CZ-CD2 4.08Å; F32-L276 HydrophobicContact CZ-CG 4.23Å; C272-L276 WeakPolarHBondContact O-CB 3.45Å; C272-L276 VanDerWaalsContact O-CG 3.28Å; C272-L276 WeakPolarHBondContact O-CG 3.12Å; C272-L276 PolarHBondContact O-N 3.2Å; L273-L276 PolarHBondContact O-N 2.89Å; L276-Q278 PolarHBondContact O-N 2.96Å; L276-F279 HydrophobicContact CD2-CE2 4.42Å; L276-F279 WeakPolarHBondContact O-CB 3.32Å; L276-F279 PolarHBondContact O-N 2.97Å; L276-F282 HydrophobicContact CB-CD2 3.87Å; L276-F282 HydrophobicContact CB-CE2 3.79Å; L276-F282 HydrophobicContact CD1-CE2 4.38Å; L276-F282 HydrophobicContact CG-CE2 4.46Å; L276-F282 WeakPolarHBondContact O-CB 3.27Å; L276-F282 WeakPolarHBondContact O-CD2 3.28Å
277Y88.6Confident86.8Confident1 Ų143.9 Ų43.90%0.00422%0.223CC..THydrogen-bonded Turntrans-65.1-15.4173.6-170.2-96.2000114.1L273 Y275 F279 Q283 C286 D288 L298 H300L273-Y277 PolarHBondContact O-N 3.39Å; Y275-Y277 VanDerWaalsContact C-N 3.3Å; Y275-Y277 PolarHBondContact O-N 3.21Å; Y277-F279 PolarHBondContact O-N 2.92Å; Y277-Q283 HydrophobicContact CE1-CG 4.46Å; Y277-Q283 VanDerWaalsContact O-CG 3.28Å; Y277-Q283 WeakPolarHBondContact O-CG 3.41Å; Y277-Q283 PolarHBondContact O-NE2 2.86Å; Y277-C286 HydrophobicContact CE2-CB 4.11Å; Y277-C286 WeakPolarHBondContact CE2-O 3.36Å; Y277-C286 PolarHBondContact OH-O 2.77Å; Y277-D288 PolarHBondContact OH-OD1 3.43Å; Y277-L298 HydrophobicContact CD1-CB 3.96Å; Y277-L298 HydrophobicContact CD2-CB 3.76Å; Y277-L298 HydrophobicContact CD2-CD1 3.72Å; Y277-L298 HydrophobicContact CD2-CG 4.22Å; Y277-L298 HydrophobicContact CE1-CB 4.07Å; Y277-L298 HydrophobicContact CE2-CB 3.84Å; Y277-L298 HydrophobicContact CE2-CD1 4.21Å; Y277-L298 HydrophobicContact CG-CB 3.82Å; Y277-L298 HydrophobicContact CG-CD1 4.25Å; Y277-L298 HydrophobicContact CG-CD2 4.33Å; Y277-L298 HydrophobicContact CG-CG 4.35Å; Y277-H300 HydrophobicContact CE1-CB 4.38Å
278Q88Confident85.9Confident8 Ų847 Ų474%0.03724%0.24CC..THydrogen-bonded Turntrans-81.4-2.2173-47.8-50.7-53.100113Y27 Y274 Y275 L276 Y299 M302Y27-Q278 HydrophobicContact CD1-CB 3.66Å; Y27-Q278 HydrophobicContact CD1-CG 3.87Å; Y27-Q278 HydrophobicContact CE1-CB 4.14Å; Y27-Q278 HydrophobicContact CE1-CG 3.82Å; Y27-Q278 HydrophobicContact CG-CB 4.03Å; Y274-Q278 PolarHBondContact O-NE2 3.26Å; Y275-Q278 WeakPolarHBondContact O-CB 3.37Å; Y275-Q278 PolarHBondContact O-N 3.27Å; Y275-Q278 VanDerWaalsContact O-N 3.08Å; L276-Q278 PolarHBondContact O-N 2.96Å; Q278-Y299 PolarHBondContact NE2-O 3.2Å; Q278-Y299 VanDerWaalsContact NE2-O 3.09Å; Q278-M302 HydrophobicContact CB-CE 4.37Å
279F84.6Confident85.1Confident11 Ų1149 Ų495%0.04826%0.261CS..SBendtrans-86.2134.9173.2-74.2-116.7000110.8F32 Q102 Y275 L276 Y277 F281 F282 Q283F32-F279 HydrophobicContact CB-CE2 4.5Å; F32-F279 HydrophobicContact CB-CZ 4.09Å; Q102-F279 HydrophobicContact CB-CD1 4.41Å; Q102-F279 HydrophobicContact CG-CD1 4.42Å; Y275-F279 AromaticContact CD1-CE2 3.95Å; Y275-F279 HydrophobicContact CD1-CE2 3.95Å; Y275-F279 AromaticContact CE1-CE2 3.97Å; Y275-F279 HydrophobicContact CE1-CE2 3.97Å; L276-F279 HydrophobicContact CD2-CE2 4.42Å; L276-F279 WeakPolarHBondContact O-CB 3.32Å; L276-F279 PolarHBondContact O-N 2.97Å; Y277-F279 PolarHBondContact O-N 2.92Å; F279-F281 VanDerWaalsContact C-N 3.26Å; F279-F281 HydrophobicContact CB-CD1 3.59Å; F279-F281 HydrophobicContact CB-CE1 3.58Å; F279-F281 HydrophobicContact CD1-CD1 4.11Å; F279-F281 AromaticContact CD1-CE1 3.74Å; F279-F281 HydrophobicContact CD1-CE1 3.74Å; F279-F281 HydrophobicContact CG-CD1 4.23Å; F279-F281 AromaticContact CG-CE1 3.84Å; F279-F281 HydrophobicContact CG-CE1 3.84Å; F279-F281 PolarHBondContact O-N 3.49Å; F279-F281 VanDerWaalsContact O-N 3.13Å; F279-F282 PolarHBondContact O-N 2.71Å; F279-Q283 PolarHBondContact O-N 2.86Å
280P78.8Confident84.7Confident41 Ų4145.4 Ų45.427%0.26625%0.245SC..Hα-helixtrans-54.1-32.6178.6-30.936.7000115.5F282 Q283 A284 T304P280-F282 VanDerWaalsContact C-N 3.35Å; P280-F282 PolarHBondContact O-N 2.62Å; P280-Q283 PolarHBondContact O-N 2.97Å; P280-A284 WeakPolarHBondContact O-CB 3.29Å; P280-A284 PolarHBondContact O-N 3.27Å; P280-T304 WeakPolarHBondContact CG-OG1 3.5Å
281F80.2Confident84.2Confident105 Ų10550.2 Ų50.246%0.46127%0.266SS..Hα-helixtrans-65.4-35.817780.5-92.6000113.1Q102 F279 A284 F285Q102-F281 VanDerWaalsContact OE1-CD1 3.29Å; F279-F281 VanDerWaalsContact C-N 3.26Å; F279-F281 HydrophobicContact CB-CD1 3.59Å; F279-F281 HydrophobicContact CB-CE1 3.58Å; F279-F281 HydrophobicContact CD1-CD1 4.11Å; F279-F281 AromaticContact CD1-CE1 3.74Å; F279-F281 HydrophobicContact CD1-CE1 3.74Å; F279-F281 HydrophobicContact CG-CD1 4.23Å; F279-F281 AromaticContact CG-CE1 3.84Å; F279-F281 HydrophobicContact CG-CE1 3.84Å; F279-F281 PolarHBondContact O-N 3.49Å; F279-F281 VanDerWaalsContact O-N 3.13Å; F281-A284 PolarHBondContact O-N 2.79Å; F281-F285 PolarHBondContact O-N 3.19Å
282F82.4Confident84Confident59 Ų5953.8 Ų53.826%0.25928%0.284SS..Hα-helixtrans-71.3-38.1175.6-108.7-71.1000111.4L276 F279 P280 A284 F285 C286L276-F282 HydrophobicContact CB-CD2 3.87Å; L276-F282 HydrophobicContact CB-CE2 3.79Å; L276-F282 HydrophobicContact CD1-CE2 4.38Å; L276-F282 HydrophobicContact CG-CE2 4.46Å; L276-F282 WeakPolarHBondContact O-CB 3.27Å; L276-F282 WeakPolarHBondContact O-CD2 3.28Å; F279-F282 PolarHBondContact O-N 2.71Å; P280-F282 VanDerWaalsContact C-N 3.35Å; P280-F282 PolarHBondContact O-N 2.62Å; F282-A284 VanDerWaalsContact C-N 3.31Å; F282-A284 PolarHBondContact O-N 3.37Å; F282-F285 PolarHBondContact O-N 2.75Å; F282-C286 PolarHBondContact O-N 2.89Å
283Q82.8Confident83.7Confident14 Ų1453 Ų537%0.06528%0.28CS..Hα-helixtrans-67.8-29.7174.9-62.7173.5-4.800112Y277 F279 P280 C286 K287Y277-Q283 HydrophobicContact CE1-CG 4.46Å; Y277-Q283 VanDerWaalsContact O-CG 3.28Å; Y277-Q283 WeakPolarHBondContact O-CG 3.41Å; Y277-Q283 PolarHBondContact O-NE2 2.86Å; F279-Q283 PolarHBondContact O-N 2.86Å; P280-Q283 PolarHBondContact O-N 2.97Å; Q283-C286 CarbonylContact O-C 3.36Å; Q283-K287 VanDerWaalsContact O-CA 3.24Å; Q283-K287 WeakPolarHBondContact O-CA 3.48Å; Q283-K287 PolarHBondContact O-N 3.12Å
284A79.3Confident83.4Confident70 Ų7051.6 Ų51.658%0.57927%0.271SS*.Hα-helixtrans-69.1-41.7173.500000112.4P280 F281 F282P280-A284 WeakPolarHBondContact O-CB 3.29Å; P280-A284 PolarHBondContact O-N 3.27Å; F281-A284 PolarHBondContact O-N 2.79Å; F282-A284 VanDerWaalsContact C-N 3.31Å; F282-A284 PolarHBondContact O-N 3.37Å
285F83.4Confident83.2Confident178 Ų17852.7 Ų52.778%0.78128%0.277SS*.Hα-helixtrans-72.7-44.6176.1-178.2-97000112.3F281 F282F281-F285 PolarHBondContact O-N 3.19Å; F282-F285 PolarHBondContact O-N 2.75Å
286C83.5Confident83.1Confident7 Ų754 Ų545%0.04729%0.285CS..SBendtrans-116.780.2-179.4-172.10000109.2Y277 F282 Q283 L292 A293Y277-C286 HydrophobicContact CE2-CB 4.11Å; Y277-C286 WeakPolarHBondContact CE2-O 3.36Å; Y277-C286 PolarHBondContact OH-O 2.77Å; F282-C286 PolarHBondContact O-N 2.89Å; Q283-C286 CarbonylContact O-C 3.36Å; C286-L292 HydrophobicContact CB-CD2 4.43Å; C286-L292 WeakPolarHBondContact SG-CD2 3.22Å; C286-A293 PolarHBondContact SG-N 3.26Å
287K79.9Confident82.9Confident146 Ų14652.1 Ų52.164%0.63528%0.275SS*.  trans-59.7144.7-177.6-67.3-177.2-179.81780112.1Q283 S290Q283-K287 VanDerWaalsContact O-CA 3.24Å; Q283-K287 WeakPolarHBondContact O-CA 3.48Å; Q283-K287 PolarHBondContact O-N 3.12Å; K287-S290 WeakPolarHBondContact O-CB 3.39Å; K287-S290 PolarHBondContact O-N 2.89Å; K287-S290 PolarHBondContact O-OG 2.81Å
288D73.2Confident82.7Confident65 Ų6552.5 Ų52.535%0.34828%0.277SS..THydrogen-bonded Turntrans-56138.7174.8-64.4-65.4000112.1Y277 S290 H300Y277-D288 PolarHBondContact OH-OD1 3.43Å; D288-S290 PolarHBondContact O-N 3.08Å; D288-H300 IonicContact OD1-CE1 3.8Å; D288-H300 IonicContact OD1-CG 2.69Å; D288-H300 IonicContact OD1-ND1 2.91Å; D288-H300 PolarHBondContact OD1-ND1 3.29Å; D288-H300 IonicContact OD2-CE1 2.98Å; D288-H300 IonicContact OD2-CG 3.26Å; D288-H300 IonicContact OD2-ND1 2.63Å; D288-H300 PolarHBondContact OD2-ND1 3.26Å
289G76.1Confident82.4Confident52 Ų5254.9 Ų54.954%0.53629%0.287SS..THydrogen-bonded Turntrans74.6-5.6-174.900000115.2R294G289-R294 PolarHBondContact O-NE 3.06Å; G289-R294 PolarHBondContact O-NH2 2.96Å
290S83.5Confident82.1Confident37 Ų3756.8 Ų56.826%0.25930%0.295SS..  trans-61.3152.1170.268.30000111.6K287 D288 L292 A293 R294K287-S290 WeakPolarHBondContact O-CB 3.39Å; K287-S290 PolarHBondContact O-N 2.89Å; K287-S290 PolarHBondContact O-OG 2.81Å; D288-S290 PolarHBondContact O-N 3.08Å; S290-L292 PolarHBondContact O-N 3.18Å; S290-A293 PolarHBondContact O-N 3.38Å; S290-A293 WeakPolarHBondContact OG-CB 3.26Å; S290-A293 PolarHBondContact OG-N 2.89Å; S290-R294 PolarHBondContact O-N 2.99Å
291F84.3Confident82Confident106 Ų10657.4 Ų57.447%0.46530%0.296SS..Hα-helixtrans-52-43.2175.3170.6-105.3000111.9R294 L295 L625 E629F291-R294 PolarHBondContact O-N 3.42Å; F291-L295 HydrophobicContact CE1-CD2 3.89Å; F291-L295 HydrophobicContact CZ-CD2 3.86Å; F291-L295 WeakPolarHBondContact O-CB 3.45Å; F291-L295 PolarHBondContact O-N 3.47Å; F291-L625 HydrophobicContact CD2-CD2 3.94Å; F291-L625 HydrophobicContact CE2-CD2 3.73Å; F291-E629 HydrophobicContact CD2-CG 4.45Å; F291-E629 WeakPolarHBondContact CD2-OE1 3.37Å
292L85.8Confident81.8Confident86 Ų8653 Ų5345%0.4528%0.277SS..Hα-helixtrans-67.6-40.7-178.4-164.4148.7000112.2C286 S290 L296C286-L292 HydrophobicContact CB-CD2 4.43Å; C286-L292 WeakPolarHBondContact SG-CD2 3.22Å; S290-L292 PolarHBondContact O-N 3.18Å; L292-L296 HydrophobicContact CD2-CD1 3.58Å; L292-L296 HydrophobicContact CD2-CG 4.3Å; L292-L296 HydrophobicContact CG-CD1 4.39Å; L292-L296 WeakPolarHBondContact O-CB 3.18Å; L292-L296 WeakPolarHBondContact O-CG 3.25Å; L292-L296 PolarHBondContact O-N 3.35Å
293A84.6Confident81.4Confident2 Ų254.1 Ų54.12%0.01728%0.283CS..Hα-helixtrans-61.7-48.1173.500000111.3C286 S290 L296 G297 L298C286-A293 PolarHBondContact SG-N 3.26Å; S290-A293 PolarHBondContact O-N 3.38Å; S290-A293 WeakPolarHBondContact OG-CB 3.26Å; S290-A293 PolarHBondContact OG-N 2.89Å; A293-L296 PolarHBondContact O-N 3.36Å; A293-G297 PolarHBondContact O-N 3.48Å; A293-L298 PolarHBondContact O-N 3.48Å
294R84.5Confident80.9Confident23 Ų2356.4 Ų56.49%0.08730%0.298CS..Hα-helixtrans-68.1-35.6-178.4-69.7-174.3-70.497.70.7113.3G289 S290 F291 G297 N624 N626 E629G289-R294 PolarHBondContact O-NE 3.06Å; G289-R294 PolarHBondContact O-NH2 2.96Å; S290-R294 PolarHBondContact O-N 2.99Å; F291-R294 PolarHBondContact O-N 3.42Å; R294-G297 PolarHBondContact O-N 3.44Å; R294-N624 HydrophobicContact CB-CB 4.47Å; R294-N624 WeakPolarHBondContact CD-O 3.18Å; R294-N624 PolarHBondContact NH1-O 2.93Å; R294-N626 PolarHBondContact NH1-OD1 3.1Å; R294-E629 IonicContact CZ-OE1 3.71Å; R294-E629 IonicContact CZ-OE2 2.61Å; R294-E629 IonicContact NH1-OE1 3.91Å; R294-E629 IonicContact NH1-OE2 2.7Å; R294-E629 PolarHBondContact NH1-OE2 3.06Å; R294-E629 IonicContact NH2-OE1 3.51Å; R294-E629 PolarHBondContact NH2-OE1 3.39Å; R294-E629 IonicContact NH2-OE2 3.09Å; R294-E629 PolarHBondContact NH2-OE2 3.01Å
295L86.2Confident80.4Confident39 Ų3954.8 Ų54.820%0.20428%0.283CS..Hα-helixtrans-70-40.1175.7-179.665.1000112.3L229 F291 G297 L623L229-L295 HydrophobicContact CB-CD1 4.34Å; L229-L295 HydrophobicContact CB-CG 4.26Å; L229-L295 HydrophobicContact CD2-CD2 4.37Å; L229-L295 HydrophobicContact CD2-CG 4.42Å; L229-L295 PolarHBondContact N-O 3.29Å; F291-L295 HydrophobicContact CE1-CD2 3.89Å; F291-L295 HydrophobicContact CZ-CD2 3.86Å; F291-L295 WeakPolarHBondContact O-CB 3.45Å; F291-L295 PolarHBondContact O-N 3.47Å; L295-G297 VanDerWaalsContact C-N 3.29Å; L295-L623 HydrophobicContact CD1-CD1 4.35Å
296L87.3Confident80Confident43 Ų4349.6 Ų49.623%0.22527%0.267CS..Hα-helixtrans-79-9.5177.1-66.3-176000113.6P230 L292 A293 L298P230-L296 WeakPolarHBondContact CD-O 3.18Å; P230-L296 HydrophobicContact CG-CD2 4.09Å; L292-L296 HydrophobicContact CD2-CD1 3.58Å; L292-L296 HydrophobicContact CD2-CG 4.3Å; L292-L296 HydrophobicContact CG-CD1 4.39Å; L292-L296 WeakPolarHBondContact O-CB 3.18Å; L292-L296 WeakPolarHBondContact O-CG 3.25Å; L292-L296 PolarHBondContact O-N 3.35Å; A293-L296 PolarHBondContact O-N 3.36Å; L296-L298 VanDerWaalsContact C-N 3.33Å; L296-L298 HydrophobicContact CB-CD1 3.83Å; L296-L298 HydrophobicContact CB-CG 3.75Å; L296-L298 HydrophobicContact CD1-CD1 3.84Å
297G83Confident79.5Confident1 Ų158.4 Ų58.41%0.0131%0.305CS..THydrogen-bonded Turntrans69.531.7-176.300000112.8A293 R294 L295 Y299A293-G297 PolarHBondContact O-N 3.48Å; R294-G297 PolarHBondContact O-N 3.44Å; L295-G297 VanDerWaalsContact C-N 3.29Å; G297-Y299 VanDerWaalsContact O-CD2 3.28Å; G297-Y299 WeakPolarHBondContact O-CD2 3.22Å
298L85.3Confident79Confident9 Ų956.8 Ų56.85%0.04730%0.298CS..  trans-91.7121.1179.9-61.9175.9000109.6L273 Y274 Y277 A293 L296L273-L298 HydrophobicContact CD2-CD2 4.42Å; L273-L298 HydrophobicContact CG-CD2 4.17Å; Y274-L298 HydrophobicContact CD1-CD2 4.18Å; Y277-L298 HydrophobicContact CD1-CB 3.96Å; Y277-L298 HydrophobicContact CD2-CB 3.76Å; Y277-L298 HydrophobicContact CD2-CD1 3.72Å; Y277-L298 HydrophobicContact CD2-CG 4.22Å; Y277-L298 HydrophobicContact CE1-CB 4.07Å; Y277-L298 HydrophobicContact CE2-CB 3.84Å; Y277-L298 HydrophobicContact CE2-CD1 4.21Å; Y277-L298 HydrophobicContact CG-CB 3.82Å; Y277-L298 HydrophobicContact CG-CD1 4.25Å; Y277-L298 HydrophobicContact CG-CD2 4.33Å; Y277-L298 HydrophobicContact CG-CG 4.35Å; A293-L298 PolarHBondContact O-N 3.48Å; L296-L298 VanDerWaalsContact C-N 3.33Å; L296-L298 HydrophobicContact CB-CD1 3.83Å; L296-L298 HydrophobicContact CB-CG 3.75Å; L296-L298 HydrophobicContact CD1-CD1 3.84Å
299Y81.3Confident78.6Confident59 Ų5957 Ų5723%0.23130%0.303CS..  trans-127.2136.9-179.1-61.8-86.7000109Q278 G297 R319 D322Q278-Y299 PolarHBondContact NE2-O 3.2Å; Q278-Y299 VanDerWaalsContact NE2-O 3.09Å; G297-Y299 VanDerWaalsContact O-CD2 3.28Å; G297-Y299 WeakPolarHBondContact O-CD2 3.22Å; Y299-R319 PolarHBondContact OH-NH2 3.02Å; Y299-D322 HydrophobicContact CD2-CB 4.1Å; Y299-D322 HydrophobicContact CE2-CB 4.36Å; Y299-D322 HydrophobicContact CG-CB 4.36Å
300H79.4Confident78.1Confident50 Ų5055.1 Ų55.123%0.23128%0.283CS..  trans-76.5125.5170.165.5-88.1000108.8Y277 D288 P315Y277-H300 HydrophobicContact CE1-CB 4.38Å; D288-H300 IonicContact OD1-CE1 3.8Å; D288-H300 IonicContact OD1-CG 2.69Å; D288-H300 IonicContact OD1-ND1 2.91Å; D288-H300 PolarHBondContact OD1-ND1 3.29Å; D288-H300 IonicContact OD2-CE1 2.98Å; D288-H300 IonicContact OD2-CG 3.26Å; D288-H300 IonicContact OD2-ND1 2.63Å; D288-H300 PolarHBondContact OD2-ND1 3.26Å; H300-P315 WeakPolarHBondContact NE2-CB 3.4Å
301I76.5Confident77.6Confident55 Ų5555.4 Ų55.428%0.28228%0.28SS..SBendtrans-84.1-29.4169.4-61.3175.1000108.8F314I301-F314 VanDerWaalsContact O-CD1 3.32Å; I301-F314 WeakPolarHBondContact O-CD1 2.97Å
302M74.9Confident76.9Confident11 Ų1152.4 Ų52.45%0.05427%0.268CS..  trans-145.2150.9179.449.3155.2-124.200112.4Y27 Q278 T304 I312Y27-M302 HydrophobicContact CD2-CE 3.69Å; Y27-M302 HydrophobicContact CD2-CG 4.41Å; Y27-M302 HydrophobicContact CD2-SD 3.43Å; Y27-M302 WeakPolarHBondContact CD2-SD 3.47Å; Y27-M302 HydrophobicContact CE2-CG 4.47Å; Y27-M302 HydrophobicContact CE2-SD 3.9Å; Y27-M302 HydrophobicContact CG-CE 3.91Å; Y27-M302 HydrophobicContact CG-SD 4.25Å; Q278-M302 HydrophobicContact CB-CE 4.37Å; M302-T304 HydrophobicContact CE-CG2 4.46Å; M302-I312 HydrophobicContact CB-CG2 3.68Å; M302-I312 HydrophobicContact SD-CD1 4.36Å; M302-I312 HydrophobicContact SD-CG2 4.43Å
303H74.2Confident76.2Confident83 Ų8351.9 Ų51.938%0.38427%0.265SS..EExtended strand (participates in β ladder)trans-129132.8172.2174-87.7000110.2I313H303-I313 PolarHBondContact N-O 2.6Å; H303-I313 WeakPolarHBondContact O-CB 3.29Å; H303-I313 PolarHBondContact O-N 3.11Å
304T72.5Confident75.7Confident62 Ų6258.3 Ų58.338%0.3829%0.293SS..EExtended strand (participates in β ladder)trans-103.7114.1179.653.40000110.7P280 M302P280-T304 WeakPolarHBondContact CG-OG1 3.5Å; M302-T304 HydrophobicContact CE-CG2 4.46Å
305S69.9Low75Confident37 Ų3758.5 Ų58.526%0.25930%0.298SS..  trans-89.5128.6179.1-170.70000112.5K307 K308S305-K307 PolarHBondContact O-N 3.48Å; S305-K307 VanDerWaalsContact O-N 3.13Å; S305-K308 CarbonylContact O-C 3.34Å; S305-K308 PolarHBondContact O-N 3.29Å
306C74.2Confident74.1Confident68 Ų6862.8 Ų62.846%0.45933%0.331SS..THydrogen-bonded Turntrans-56.7-26.5175.1-166.50000114C94 K308C94-C306 WeakPolarHBondContact CA-SG 3.48Å; C94-C306 HydrophobicContact CB-CB 4.44Å; C94-C306 WeakPolarHBondContact CB-SG 3.35Å; C94-C306 WeakPolarHBondContact SG-CB 3.14Å; C94-C306 CovalentContact SG-SG 2.03Å; C94-C306 PolarHBondContact SG-SG 3.07Å; C306-K308 PolarHBondContact O-N 3.18Å
307K72.5Confident73.1Confident193 Ų19365.6 Ų65.684%0.83935%0.354SS*.THydrogen-bonded Turntrans-65.4-15.6175.6-68.9-172176.5-1760114S305S305-K307 PolarHBondContact O-N 3.48Å; S305-K307 VanDerWaalsContact O-N 3.13Å
308K70.2Confident72.3Confident112 Ų11271.8 Ų71.849%0.48738%0.381SS..SBendtrans-14684.6-179.2-66.5-171-176.7-174.90110.5S305 C306 G310 E311S305-K308 CarbonylContact O-C 3.34Å; S305-K308 PolarHBondContact O-N 3.29Å; C306-K308 PolarHBondContact O-N 3.18Å; K308-G310 PolarHBondContact O-N 3.31Å; K308-E311 HydrophobicContact CB-CB 3.76Å; K308-E311 HydrophobicContact CD-CB 4.35Å; K308-E311 HydrophobicContact CD-CG 4.33Å; K308-E311 WeakPolarHBondContact CD-OE1 3.44Å; K308-E311 WeakPolarHBondContact CD-OE2 3.4Å; K308-E311 WeakPolarHBondContact CE-OE1 3.22Å; K308-E311 IonicContact NZ-OE1 3.56Å; K308-E311 PolarHBondContact NZ-OE1 3.47Å; K308-E311 IonicContact NZ-OE2 2.71Å; K308-E311 WeakPolarHBondContact O-CB 3.47Å; K308-E311 PolarHBondContact O-N 3.18Å
309P65.2Low71.7Confident70 Ų7076.5 Ų76.546%0.45540%0.398SS..THydrogen-bonded Turntrans-52.9138.6177.920.6-32.1000111.9E311P309-E311 PolarHBondContact O-N 2.92Å
310G64.8Low71.5Confident11 Ų1178.5 Ų78.511%0.11342%0.416CS..THydrogen-bonded Turntrans73.3-5.3-176.300000116.6R118 K308R118-G310 PolarHBondContact NH1-O 2.83Å; R118-G310 PolarHBondContact NH2-O 2.73Å; K308-G310 PolarHBondContact O-N 3.31Å
311E72.1Confident71.4Confident43 Ų4378.9 Ų78.920%0.20142%0.422CS..PPolyproline II helixtrans-78.8128.2174.2-159.4146.3121.300111.5R115 K308 P309R115-E311 IonicContact CZ-OE2 3.62Å; R115-E311 VanDerWaalsContact CZ-OE2 3.23Å; R115-E311 IonicContact NH1-OE2 2.75Å; R115-E311 PolarHBondContact NH1-OE2 2.81Å; R115-E311 IonicContact NH2-OE2 3.22Å; R115-E311 PolarHBondContact NH2-OE2 2.86Å; K308-E311 HydrophobicContact CB-CB 3.76Å; K308-E311 HydrophobicContact CD-CB 4.35Å; K308-E311 HydrophobicContact CD-CG 4.33Å; K308-E311 WeakPolarHBondContact CD-OE1 3.44Å; K308-E311 WeakPolarHBondContact CD-OE2 3.4Å; K308-E311 WeakPolarHBondContact CE-OE1 3.22Å; K308-E311 IonicContact NZ-OE1 3.56Å; K308-E311 PolarHBondContact NZ-OE1 3.47Å; K308-E311 IonicContact NZ-OE2 2.71Å; K308-E311 WeakPolarHBondContact O-CB 3.47Å; K308-E311 PolarHBondContact O-N 3.18Å; P309-E311 PolarHBondContact O-N 2.92Å
312I70.9Confident71.4Confident43 Ų4377.1 Ų77.122%0.22141%0.413CS..EExtended strand (participates in β ladder)trans-100121.3172.6-67.9178000107M302 F314M302-I312 HydrophobicContact CB-CG2 3.68Å; M302-I312 HydrophobicContact SD-CD1 4.36Å; M302-I312 HydrophobicContact SD-CG2 4.43Å; I312-F314 HydrophobicContact CG2-CD1 4.48Å; I312-F314 HydrophobicContact CG2-CD2 4.22Å; I312-F314 HydrophobicContact CG2-CE1 3.99Å; I312-F314 HydrophobicContact CG2-CE2 3.69Å; I312-F314 HydrophobicContact CG2-CZ 3.56Å
313I70.7Confident71.8Confident75 Ų7579.3 Ų79.339%0.38543%0.429SS..EExtended strand (participates in β ladder)trans-103.2123.9175.6-54.1174.9000107.6H303H303-I313 PolarHBondContact N-O 2.6Å; H303-I313 WeakPolarHBondContact O-CB 3.29Å; H303-I313 PolarHBondContact O-N 3.11Å
314F73.6Confident72.3Confident137 Ų13779.5 Ų79.560%0.60143%0.432SS*.PPolyproline II helixtrans-96.6135.8173.6-61.2-83.2000109.4I301 I312I301-F314 VanDerWaalsContact O-CD1 3.32Å; I301-F314 WeakPolarHBondContact O-CD1 2.97Å; I312-F314 HydrophobicContact CG2-CD1 4.48Å; I312-F314 HydrophobicContact CG2-CD2 4.22Å; I312-F314 HydrophobicContact CG2-CE1 3.99Å; I312-F314 HydrophobicContact CG2-CE2 3.69Å; I312-F314 HydrophobicContact CG2-CZ 3.56Å
315P69.6Low73Confident28 Ų2876.8 Ų76.818%0.18242%0.416CS..PPolyproline II helixtrans-69.8147.6174.730.2-35.4000111.3H300 S317 F318H300-P315 WeakPolarHBondContact NE2-CB 3.4Å; P315-S317 VanDerWaalsContact C-N 3.33Å; P315-S317 PolarHBondContact O-N 3.14Å; P315-F318 WeakPolarHBondContact O-CD1 3.48Å
316S67.7Low73.9Confident128 Ų12876.5 Ų76.590%0.89541%0.413SS*.THydrogen-bonded Turntrans-81.1-7.3-179.451.50000114.8
317S66.3Low74.5Confident103 Ų10376.6 Ų76.672%0.7241%0.413SS*.THydrogen-bonded Turntrans-116.719.1-167.554.90000114.9P315P315-S317 VanDerWaalsContact C-N 3.33Å; P315-S317 PolarHBondContact O-N 3.14Å
318F66.3Low75.4Confident131 Ų13168.9 Ų68.958%0.57538%0.381SS*.  trans-73140.9178.775.6-84.5000112.2P315P315-F318 WeakPolarHBondContact O-CD1 3.48Å
319R72.3Confident76.4Confident107 Ų10763.6 Ų63.640%0.40436%0.358SS..  trans-88.4136.7169.2-51.2174.2-64.2-174.94.2108.4Y299 V321 D322Y299-R319 PolarHBondContact OH-NH2 3.02Å; R319-V321 PolarHBondContact O-N 3.24Å; R319-V321 VanDerWaalsContact O-N 3.09Å; R319-D322 WeakPolarHBondContact CB-OD2 3.14Å; R319-D322 IonicContact CZ-OD1 3.58Å; R319-D322 IonicContact CZ-OD2 3.92Å; R319-D322 IonicContact NE-OD1 3.38Å; R319-D322 IonicContact NE-OD2 3.63Å; R319-D322 PolarHBondContact NE-OD2 3.33Å; R319-D322 IonicContact NH2-OD1 3.49Å; R319-D322 PolarHBondContact NH2-OD1 3.32Å; R319-D322 IonicContact NH2-OD2 2.77Å; R319-D322 PolarHBondContact NH2-OD2 3.38Å; R319-D322 PolarHBondContact O-N 2.92Å
320V77.4Confident77.5Confident102 Ų10261.7 Ų61.762%0.61834%0.343SS*.Hα-helixtrans-52.9-35.9177.7174.70000111.5D322 C323 L324V320-D322 PolarHBondContact O-N 3.06Å; V320-C323 WeakPolarHBondContact O-CB 3.38Å; V320-C323 PolarHBondContact O-N 3.28Å; V320-L324 HydrophobicContact CG1-CD1 4.01Å; V320-L324 WeakPolarHBondContact O-CD1 3.33Å; V320-L324 PolarHBondContact O-N 3.24Å
321V77.5Confident78.8Confident57 Ų5765.6 Ų65.635%0.34536%0.361SS..Hα-helixtrans-57.9-42.6177-1760000112.8T225 R319 C323 L324 A325 V653T225-V321 HydrophobicContact CG2-CG1 3.72Å; T225-V321 WeakPolarHBondContact CG2-O 3.06Å; T225-V321 WeakPolarHBondContact O-CG1 3.41Å; R319-V321 PolarHBondContact O-N 3.24Å; R319-V321 VanDerWaalsContact O-N 3.09Å; V321-C323 VanDerWaalsContact C-N 3.29Å; V321-C323 PolarHBondContact O-N 3.19Å; V321-L324 PolarHBondContact O-N 3.04Å; V321-L324 VanDerWaalsContact O-N 3.16Å; V321-A325 PolarHBondContact O-N 3Å; V321-V653 HydrophobicContact CG1-CG2 3.77Å
322D77.6Confident79.7Confident19 Ų1963.5 Ų63.510%0.10235%0.351CS..Hα-helixtrans-67.9-33.9-178.7-58.6-42.2000111Y299 R319 V320 L324 A325Y299-D322 HydrophobicContact CD2-CB 4.1Å; Y299-D322 HydrophobicContact CE2-CB 4.36Å; Y299-D322 HydrophobicContact CG-CB 4.36Å; R319-D322 WeakPolarHBondContact CB-OD2 3.14Å; R319-D322 IonicContact CZ-OD1 3.58Å; R319-D322 IonicContact CZ-OD2 3.92Å; R319-D322 IonicContact NE-OD1 3.38Å; R319-D322 IonicContact NE-OD2 3.63Å; R319-D322 PolarHBondContact NE-OD2 3.33Å; R319-D322 IonicContact NH2-OD1 3.49Å; R319-D322 PolarHBondContact NH2-OD1 3.32Å; R319-D322 IonicContact NH2-OD2 2.77Å; R319-D322 PolarHBondContact NH2-OD2 3.38Å; R319-D322 PolarHBondContact O-N 2.92Å; V320-D322 PolarHBondContact O-N 3.06Å; D322-L324 VanDerWaalsContact C-N 3.33Å; D322-L324 PolarHBondContact O-N 3.2Å; D322-A325 PolarHBondContact O-N 2.95Å
323C82Confident80.8Confident56 Ų5662.4 Ų62.438%0.37834%0.344SS..Hα-helixtrans-68.6-28.2174.6-172.10000113V320 V321 P327V320-C323 WeakPolarHBondContact O-CB 3.38Å; V320-C323 PolarHBondContact O-N 3.28Å; V321-C323 VanDerWaalsContact C-N 3.29Å; V321-C323 PolarHBondContact O-N 3.19Å; C323-P327 VanDerWaalsContact O-CD 3.26Å; C323-P327 WeakPolarHBondContact O-CD 3.45Å
324L85.3Confident81.7Confident87 Ų8760.7 Ų60.746%0.45533%0.333SS..Hα-helixtrans-78.7-19.1178.5-97.771.5000114T225 V320 V321 D322 P327 I328T225-L324 HydrophobicContact CG2-CB 4.44Å; V320-L324 HydrophobicContact CG1-CD1 4.01Å; V320-L324 WeakPolarHBondContact O-CD1 3.33Å; V320-L324 PolarHBondContact O-N 3.24Å; V321-L324 PolarHBondContact O-N 3.04Å; V321-L324 VanDerWaalsContact O-N 3.16Å; D322-L324 VanDerWaalsContact C-N 3.33Å; D322-L324 PolarHBondContact O-N 3.2Å; L324-P327 WeakPolarHBondContact O-CD 3.32Å; L324-I328 HydrophobicContact CB-CD1 4.08Å; L324-I328 HydrophobicContact CD2-CD1 4.47Å; L324-I328 WeakPolarHBondContact O-CB 3.48Å; L324-I328 VanDerWaalsContact O-CG1 3.26Å; L324-I328 WeakPolarHBondContact O-CG1 3.4Å; L324-I328 PolarHBondContact O-N 2.92Å
325A87Confident82.4Confident5 Ų555.3 Ų55.34%0.04131%0.312CS..Hα-helixtrans-65.6-43.9-174.300000114.5T225 V321 D322 I328 T329T225-A325 HydrophobicContact CG2-CB 4.17Å; V321-A325 PolarHBondContact O-N 3Å; D322-A325 PolarHBondContact O-N 2.95Å; A325-I328 PolarHBondContact O-N 3.36Å; A325-T329 PolarHBondContact O-N 3.33Å; A325-T329 PolarHBondContact O-OG1 2.89Å
326P87.9Confident83.4Confident31 Ų3154 Ų5420%0.20130%0.304CS..Hα-helixtrans-65.7-43.8175.6-17.830.7000113.7Y274 I328 T329 M330Y274-P326 HydrophobicContact CD1-CG 4.36Å; Y274-P326 HydrophobicContact CD2-CB 4.04Å; Y274-P326 HydrophobicContact CD2-CG 4.06Å; Y274-P326 HydrophobicContact CE2-CG 4.43Å; Y274-P326 HydrophobicContact CG-CB 4.3Å; Y274-P326 HydrophobicContact CG-CG 4.02Å; P326-I328 PolarHBondContact O-N 2.86Å; P326-T329 WeakPolarHBondContact CA-OG1 3.35Å; P326-T329 PolarHBondContact O-N 3.31Å; P326-T329 PolarHBondContact O-OG1 2.91Å; P326-T329 VanDerWaalsContact O-OG1 3.06Å; P326-M330 WeakPolarHBondContact O-CB 3.47Å; P326-M330 PolarHBondContact O-N 3.45Å
327P88.5Confident84.4Confident71 Ų7148 Ų4846%0.46126%0.261SS..Hα-helixtrans-58.8-40.9171.4-2836.2000114.4C323 L324 M330 L331C323-P327 VanDerWaalsContact O-CD 3.26Å; C323-P327 WeakPolarHBondContact O-CD 3.45Å; L324-P327 WeakPolarHBondContact O-CD 3.32Å; P327-M330 PolarHBondContact O-N 3.1Å; P327-L331 WeakPolarHBondContact O-CB 3.26Å; P327-L331 PolarHBondContact O-N 3.41Å
328I90.2Very high85.2Confident30 Ų3046.4 Ų46.415%0.15424%0.244CC..Hα-helixtrans-67.6-42.4178.9-71.1169.5000111.3F221 A222 T225 L324 A325 P326 L331 L332F221-I328 HydrophobicContact CB-CG2 4.27Å; A222-I328 HydrophobicContact CB-CG2 4.2Å; T225-I328 HydrophobicContact CG2-CD1 4.2Å; L324-I328 HydrophobicContact CB-CD1 4.08Å; L324-I328 HydrophobicContact CD2-CD1 4.47Å; L324-I328 WeakPolarHBondContact O-CB 3.48Å; L324-I328 VanDerWaalsContact O-CG1 3.26Å; L324-I328 WeakPolarHBondContact O-CG1 3.4Å; L324-I328 PolarHBondContact O-N 2.92Å; A325-I328 PolarHBondContact O-N 3.36Å; P326-I328 PolarHBondContact O-N 2.86Å; I328-L331 PolarHBondContact O-N 3.02Å; I328-L332 WeakPolarHBondContact O-CB 3.3Å; I328-L332 PolarHBondContact O-N 3.47Å
329T91.1Very high85.9Confident2 Ų240.9 Ų40.91%0.01222%0.22CC..Hα-helixtrans-68.9-35.3177.248.90000112.4A222 Y234 Y274 A325 P326 L332 Y333A222-T329 HydrophobicContact CB-CG2 4.17Å; Y234-T329 HydrophobicContact CE2-CG2 3.79Å; Y274-T329 HydrophobicContact CE2-CG2 4.31Å; A325-T329 PolarHBondContact O-N 3.33Å; A325-T329 PolarHBondContact O-OG1 2.89Å; P326-T329 WeakPolarHBondContact CA-OG1 3.35Å; P326-T329 PolarHBondContact O-N 3.31Å; P326-T329 PolarHBondContact O-OG1 2.91Å; P326-T329 VanDerWaalsContact O-OG1 3.06Å; T329-L332 PolarHBondContact O-N 3.48Å; T329-Y333 PolarHBondContact O-N 3.02Å
330M89.5Confident86.4Confident29 Ų2936.6 Ų36.614%0.14321%0.206CC..Hα-helixtrans-66-41.3170.6-176.5-174.9164.100112.4F20 L38 V271 P326 P327 Y333 Y334F20-M330 HydrophobicContact CD2-CE 3.74Å; F20-M330 HydrophobicContact CD2-SD 3.73Å; F20-M330 HydrophobicContact CE2-CE 4.3Å; F20-M330 HydrophobicContact CE2-SD 3.74Å; F20-M330 HydrophobicContact CG-CE 4.42Å; L38-M330 HydrophobicContact CD1-CE 4.19Å; L38-M330 HydrophobicContact CD2-CE 3.66Å; L38-M330 HydrophobicContact CD2-SD 4.49Å; L38-M330 HydrophobicContact CG-CE 3.98Å; V271-M330 HydrophobicContact CG2-CB 4.13Å; P326-M330 WeakPolarHBondContact O-CB 3.47Å; P326-M330 PolarHBondContact O-N 3.45Å; P327-M330 PolarHBondContact O-N 3.1Å; M330-Y333 WeakPolarHBondContact O-CB 3.35Å; M330-Y333 PolarHBondContact O-N 3.47Å; M330-Y334 HydrophobicContact CE-CD2 4.25Å; M330-Y334 HydrophobicContact CE-CE2 3.74Å; M330-Y334 HydrophobicContact CG-CD2 4.28Å; M330-Y334 HydrophobicContact CG-CE2 4.49Å; M330-Y334 WeakPolarHBondContact O-CD2 3.46Å; M330-Y334 PolarHBondContact O-N 2.91Å
331L90.6Very high86.5Confident93 Ų9332.9 Ų32.949%0.48718%0.181SC..Hα-helixtrans-63.4-41.7175.117960.1000111.4L218 P327 I328 Y334 V335L218-L331 HydrophobicContact CD1-CG 4.26Å; L218-L331 HydrophobicContact CD2-CD2 3.86Å; L218-L331 HydrophobicContact CD2-CG 4.19Å; P327-L331 WeakPolarHBondContact O-CB 3.26Å; P327-L331 PolarHBondContact O-N 3.41Å; I328-L331 PolarHBondContact O-N 3.02Å; L331-Y334 PolarHBondContact O-N 3.02Å; L331-V335 HydrophobicContact CD1-CG2 4.43Å; L331-V335 WeakPolarHBondContact O-CG2 3.43Å; L331-V335 PolarHBondContact O-N 2.9Å
332L92.8Very high86.5Confident0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-59.5-46.3173.3174.859.8000111.5L218 V219 A222 Y234 I328 T329 Y334 V335 L336L218-L332 HydrophobicContact CB-CB 4.47Å; L218-L332 HydrophobicContact CB-CD1 3.93Å; V219-L332 HydrophobicContact CG2-CD1 3.63Å; V219-L332 HydrophobicContact CG2-CD2 4.2Å; A222-L332 HydrophobicContact CB-CD2 3.69Å; Y234-L332 HydrophobicContact CD1-CD2 4.07Å; Y234-L332 HydrophobicContact CE1-CD2 4.13Å; I328-L332 WeakPolarHBondContact O-CB 3.3Å; I328-L332 PolarHBondContact O-N 3.47Å; T329-L332 PolarHBondContact O-N 3.48Å; L332-Y334 PolarHBondContact O-N 3.24Å; L332-V335 PolarHBondContact O-N 2.94Å; L332-L336 HydrophobicContact CD1-CD1 3.82Å; L332-L336 HydrophobicContact CD1-CG 3.91Å; L332-L336 HydrophobicContact CG-CD1 3.86Å; L332-L336 HydrophobicContact CG-CG 4.38Å; L332-L336 WeakPolarHBondContact O-CB 3.29Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.4Å; L332-L336 PolarHBondContact O-N 3.14Å
333Y92.9Very high86.4Confident19 Ų1937.3 Ų37.38%0.07519%0.19CC..Hα-helixtrans-54.9-50.1173.5177.6-90.7000111.4L39 P42 L264 T329 M330 V335 L336 V337L39-Y333 HydrophobicContact CB-CE1 4.07Å; L39-Y333 HydrophobicContact CD2-CD1 3.62Å; L39-Y333 HydrophobicContact CD2-CD2 4.41Å; L39-Y333 HydrophobicContact CD2-CE1 3.54Å; L39-Y333 HydrophobicContact CD2-CE2 4.33Å; L39-Y333 HydrophobicContact CD2-CG 4.08Å; L39-Y333 HydrophobicContact CG-CE1 4.43Å; L39-Y333 PolarHBondContact O-OH 2.94Å; L39-Y333 VanDerWaalsContact O-OH 3.11Å; P42-Y333 HydrophobicContact CG-CE1 4.19Å; L264-Y333 HydrophobicContact CD1-CD2 3.58Å; L264-Y333 HydrophobicContact CD1-CE2 3.42Å; L264-Y333 VanDerWaalsContact CD1-CE2 3.42Å; L264-Y333 HydrophobicContact CD1-CG 4.26Å; L264-Y333 HydrophobicContact CG-CE2 4.4Å; L264-Y333 WeakPolarHBondContact O-CD2 3.44Å; L264-Y333 WeakPolarHBondContact O-CE2 3.07Å; T329-Y333 PolarHBondContact O-N 3.02Å; M330-Y333 WeakPolarHBondContact O-CB 3.35Å; M330-Y333 PolarHBondContact O-N 3.47Å; Y333-V335 PolarHBondContact O-N 2.8Å; Y333-L336 PolarHBondContact O-N 3.4Å; Y333-V337 HydrophobicContact CD1-CG2 4.12Å; Y333-V337 HydrophobicContact CE1-CG2 3.69Å; Y333-V337 HydrophobicContact CE2-CG2 4.47Å; Y333-V337 WeakPolarHBondContact O-CG2 3.16Å; Y333-V337 PolarHBondContact O-N 3.31Å
334Y89.1Confident86.1Confident39 Ų3938.3 Ų38.315%0.15319%0.191CC..Hα-helixtrans-59.6-43.3180-97.4-110.6000112.8P16 L38 P42 M330 L331 L332 L338P16-Y334 HydrophobicContact CB-CE1 4.37Å; L38-Y334 VanDerWaalsContact CD1-OH 3.31Å; L38-Y334 WeakPolarHBondContact CD1-OH 3.2Å; L38-Y334 PolarHBondContact O-OH 3.4Å; P42-Y334 HydrophobicContact CB-CD1 4.35Å; P42-Y334 HydrophobicContact CB-CE1 4.13Å; P42-Y334 HydrophobicContact CG-CD1 4.44Å; P42-Y334 HydrophobicContact CG-CD2 4.5Å; P42-Y334 HydrophobicContact CG-CE1 4.04Å; P42-Y334 HydrophobicContact CG-CE2 4.07Å; M330-Y334 HydrophobicContact CE-CD2 4.25Å; M330-Y334 HydrophobicContact CE-CE2 3.74Å; M330-Y334 HydrophobicContact CG-CD2 4.28Å; M330-Y334 HydrophobicContact CG-CE2 4.49Å; M330-Y334 WeakPolarHBondContact O-CD2 3.46Å; M330-Y334 PolarHBondContact O-N 2.91Å; L331-Y334 PolarHBondContact O-N 3.02Å; L332-Y334 PolarHBondContact O-N 3.24Å; Y334-L338 VanDerWaalsContact O-CG 3.31Å; Y334-L338 WeakPolarHBondContact O-CG 3.33Å; Y334-L338 PolarHBondContact O-N 3.45Å
335V88.4Confident85.4Confident24 Ų2438.6 Ų38.615%0.14519%0.193CC..Hα-helixtrans-66.7-43.1175.7172.60000111.2T215 L218 L331 L332 Y333 V337 L338 E339T215-V335 HydrophobicContact CG2-CG1 4.43Å; T215-V335 WeakPolarHBondContact OG1-CG1 3.13Å; L218-V335 HydrophobicContact CD1-CB 4.14Å; L218-V335 HydrophobicContact CD1-CG1 4.37Å; L218-V335 HydrophobicContact CD1-CG2 3.71Å; L331-V335 HydrophobicContact CD1-CG2 4.43Å; L331-V335 WeakPolarHBondContact O-CG2 3.43Å; L331-V335 PolarHBondContact O-N 2.9Å; L332-V335 PolarHBondContact O-N 2.94Å; Y333-V335 PolarHBondContact O-N 2.8Å; V335-V337 PolarHBondContact O-N 2.96Å; V335-L338 PolarHBondContact O-N 3.12Å; V335-L338 VanDerWaalsContact O-N 3.11Å; V335-E339 HydrophobicContact CG1-CG 4.35Å; V335-E339 PolarHBondContact O-N 3.31Å
336L90.1Very high84.5Confident2 Ų240.9 Ų40.91%0.0121%0.209CC..Hα-helixtrans-62-38.3177-73.2172000112.7T215 R260 L263 L264 L332 Y333 T340T215-L336 HydrophobicContact CG2-CD2 4.06Å; R260-L336 HydrophobicContact CB-CD2 4.47Å; R260-L336 HydrophobicContact CG-CD2 4.23Å; L263-L336 HydrophobicContact CB-CD1 3.81Å; L264-L336 HydrophobicContact CB-CB 4.22Å; L264-L336 HydrophobicContact CD1-CB 4.17Å; L332-L336 HydrophobicContact CD1-CD1 3.82Å; L332-L336 HydrophobicContact CD1-CG 3.91Å; L332-L336 HydrophobicContact CG-CD1 3.86Å; L332-L336 HydrophobicContact CG-CG 4.38Å; L332-L336 WeakPolarHBondContact O-CB 3.29Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.4Å; L332-L336 PolarHBondContact O-N 3.14Å; Y333-L336 PolarHBondContact O-N 3.4Å; L336-T340 WeakPolarHBondContact O-CB 3.45Å; L336-T340 PolarHBondContact O-N 3.4Å; L336-T340 PolarHBondContact O-OG1 3.3Å
337V88.8Confident83.4Confident1 Ų143.5 Ų43.51%0.00622%0.218CC..Hα-helixtrans-61.5-46171.91780000110.6P42 L43 L264 Y333 V335 R341P42-V337 HydrophobicContact CB-CB 4.22Å; P42-V337 HydrophobicContact CB-CG1 3.84Å; P42-V337 HydrophobicContact CB-CG2 4.48Å; P42-V337 HydrophobicContact CG-CG1 4.35Å; P42-V337 HydrophobicContact CG-CG2 4.23Å; P42-V337 VanDerWaalsContact O-CG1 3.26Å; P42-V337 WeakPolarHBondContact O-CG1 3.37Å; L43-V337 HydrophobicContact CD2-CG1 3.95Å; L43-V337 HydrophobicContact CD2-CG2 4.46Å; L43-V337 HydrophobicContact CG-CG1 4.04Å; L43-V337 HydrophobicContact CG-CG2 4.47Å; L264-V337 HydrophobicContact CD1-CB 4.38Å; L264-V337 HydrophobicContact CD1-CG2 3.35Å; L264-V337 HydrophobicContact CD2-CG2 4.34Å; L264-V337 HydrophobicContact CG-CG2 4.48Å; Y333-V337 HydrophobicContact CD1-CG2 4.12Å; Y333-V337 HydrophobicContact CE1-CG2 3.69Å; Y333-V337 HydrophobicContact CE2-CG2 4.47Å; Y333-V337 WeakPolarHBondContact O-CG2 3.16Å; Y333-V337 PolarHBondContact O-N 3.31Å; V335-V337 PolarHBondContact O-N 2.96Å; V337-R341 WeakPolarHBondContact O-CB 3.42Å; V337-R341 PolarHBondContact O-N 2.85Å
338L83.3Confident82.1Confident70 Ų7046.5 Ų46.537%0.36622%0.224SC..Hα-helixtrans-65.2-40.8-178.1-70170.8000112.4Y334 V335 R342Y334-L338 VanDerWaalsContact O-CG 3.31Å; Y334-L338 WeakPolarHBondContact O-CG 3.33Å; Y334-L338 PolarHBondContact O-N 3.45Å; V335-L338 PolarHBondContact O-N 3.12Å; V335-L338 VanDerWaalsContact O-N 3.11Å; L338-R342 WeakPolarHBondContact O-CB 3.43Å; L338-R342 PolarHBondContact O-N 2.91Å
339E81.5Confident80.5Confident15 Ų1548.2 Ų48.27%0.0724%0.239CC..Hα-helixtrans-70.3-47.7175.1-65-47.6147.800113R211 V335 R341 R342 W343R211-E339 VanDerWaalsContact CZ-CD 3.41Å; R211-E339 IonicContact CZ-OE1 2.68Å; R211-E339 IonicContact CZ-OE2 2.7Å; R211-E339 IonicContact NE-OE1 3.23Å; R211-E339 IonicContact NH1-OE1 2.7Å; R211-E339 PolarHBondContact NH1-OE1 2.92Å; R211-E339 VanDerWaalsContact NH1-OE1 3.16Å; R211-E339 IonicContact NH1-OE2 2.68Å; R211-E339 PolarHBondContact NH1-OE2 3.07Å; R211-E339 IonicContact NH2-OE1 3.14Å; R211-E339 PolarHBondContact NH2-OE1 3.48Å; R211-E339 IonicContact NH2-OE2 2.7Å; R211-E339 PolarHBondContact NH2-OE2 2.96Å; V335-E339 HydrophobicContact CG1-CG 4.35Å; V335-E339 PolarHBondContact O-N 3.31Å; E339-R341 VanDerWaalsContact C-N 3.26Å; E339-R341 PolarHBondContact O-N 3.27Å; E339-R342 PolarHBondContact O-N 3.28Å; E339-W343 WeakPolarHBondContact O-CB 3.42Å; E339-W343 PolarHBondContact O-N 2.97Å
340T83.4Confident78.7Confident17 Ų1752.1 Ų52.110%0.10426%0.262CS..Hα-helixtrans-60.3-42.1-178.6-57.30000110I261 L264 L336 W343 L344I261-T340 HydrophobicContact CG1-CG2 3.86Å; L264-T340 HydrophobicContact CD2-CG2 4.44Å; L336-T340 WeakPolarHBondContact O-CB 3.45Å; L336-T340 PolarHBondContact O-N 3.4Å; L336-T340 PolarHBondContact O-OG1 3.3Å; T340-W343 PolarHBondContact O-N 2.92Å; T340-L344 WeakPolarHBondContact O-CB 3.45Å; T340-L344 PolarHBondContact O-N 3.39Å
341R79.9Confident76.8Confident23 Ų2355.1 Ų55.19%0.08729%0.286CS..Hα-helixtrans-73.9-37178.7-178.2168.2146.5-168.40.7114P42 L43 L44 A45 R46 V337 E339 W343 L344 D345P42-R341 PolarHBondContact O-NH1 3.1Å; L43-R341 VanDerWaalsContact C-NH1 3.29Å; L43-R341 PolarHBondContact O-NH1 3.07Å; L43-R341 VanDerWaalsContact O-NH1 3.16Å; L44-R341 PolarHBondContact O-NH1 2.95Å; L44-R341 PolarHBondContact O-NH2 2.88Å; A45-R341 VanDerWaalsContact CA-NH2 3.32Å; R46-R341 VanDerWaalsContact N-NH2 3.13Å; V337-R341 WeakPolarHBondContact O-CB 3.42Å; V337-R341 PolarHBondContact O-N 2.85Å; E339-R341 VanDerWaalsContact C-N 3.26Å; E339-R341 PolarHBondContact O-N 3.27Å; R341-W343 VanDerWaalsContact C-N 3.29Å; R341-W343 PolarHBondContact O-N 3.24Å; R341-L344 WeakPolarHBondContact O-CB 3.49Å; R341-L344 PolarHBondContact O-N 3.08Å; R341-D345 WeakPolarHBondContact O-CB 3.38Å; R341-D345 VanDerWaalsContact O-CG 3.3Å; R341-D345 PolarHBondContact O-N 2.98Å
342R76.9Confident74.7Confident108 Ų10854.9 Ų54.941%0.40829%0.292SS..Hα-helixtrans-62.5-40.6172.6-179.5176.8170.1-165.1-9110.9D208 L338 E339 L344 D345 S346D208-R342 VanDerWaalsContact CG-NH2 3.27Å; D208-R342 IonicContact OD1-CZ 2.71Å; D208-R342 VanDerWaalsContact OD1-CZ 3.22Å; D208-R342 IonicContact OD1-NH1 2.88Å; D208-R342 PolarHBondContact OD1-NH1 3Å; D208-R342 IonicContact OD1-NH2 3.59Å; D208-R342 PolarHBondContact OD1-NH2 3.48Å; D208-R342 IonicContact OD2-CZ 3.21Å; D208-R342 IonicContact OD2-NH1 3.9Å; D208-R342 IonicContact OD2-NH2 3.57Å; D208-R342 PolarHBondContact OD2-NH2 2.89Å; L338-R342 WeakPolarHBondContact O-CB 3.43Å; L338-R342 PolarHBondContact O-N 2.91Å; E339-R342 PolarHBondContact O-N 3.28Å; R342-L344 VanDerWaalsContact C-N 3.34Å; R342-D345 PolarHBondContact O-N 3.32Å; R342-S346 PolarHBondContact O-N 2.98Å; R342-S346 PolarHBondContact O-OG 3.47Å; R342-S346 VanDerWaalsContact O-OG 3.09Å
343W75.4Confident71.8Confident61 Ų6161.5 Ų61.523%0.23132%0.324CS..Hα-helixtrans-62.7-39.8174.5175.276.2000112.1A257 E339 T340 R341 S346 H347A257-W343 HydrophobicContact CB-CD2 4.2Å; A257-W343 HydrophobicContact CB-CE3 4.25Å; A257-W343 HydrophobicContact CB-CH2 3.56Å; A257-W343 HydrophobicContact CB-CZ2 3.48Å; A257-W343 VanDerWaalsContact CB-CZ2 3.48Å; A257-W343 HydrophobicContact CB-CZ3 3.95Å; E339-W343 WeakPolarHBondContact O-CB 3.42Å; E339-W343 PolarHBondContact O-N 2.97Å; T340-W343 PolarHBondContact O-N 2.92Å; R341-W343 VanDerWaalsContact C-N 3.29Å; R341-W343 PolarHBondContact O-N 3.24Å; W343-S346 WeakPolarHBondContact CA-OG 3.21Å; W343-S346 PolarHBondContact O-N 3.32Å; W343-S346 PolarHBondContact O-OG 3.26Å; W343-H347 AromaticContact CD1-CD2 3.95Å; W343-H347 AromaticContact CD2-CD2 3.98Å; W343-H347 AromaticContact CE2-CD2 3.28Å; W343-H347 AromaticContact CE2-NE2 3.49Å; W343-H347 AromaticContact CZ2-CD2 3.41Å; W343-H347 VanDerWaalsContact CZ2-CD2 3.41Å; W343-H347 WeakPolarHBondContact CZ2-CD2 3.39Å; W343-H347 AromaticContact CZ2-NE2 3.41Å; W343-H347 WeakPolarHBondContact CZ2-NE2 3.36Å; W343-H347 AromaticContact NE1-CD2 3.28Å; W343-H347 PolarHBondContact NE1-CD2 3.45Å; W343-H347 VanDerWaalsContact NE1-CD2 3.28Å; W343-H347 AromaticContact NE1-NE2 3.28Å; W343-H347 PolarHBondContact NE1-NE2 2.92Å; W343-H347 PolarHBondContact O-N 2.99Å
344L75.5Confident68.9Low77 Ų7765.3 Ų65.340%0.40335%0.351SS..Hα-helixtrans-65.3-48.4174.2-14777.6000112.1T340 R341 R342 S346 H347 F348T340-L344 WeakPolarHBondContact O-CB 3.45Å; T340-L344 PolarHBondContact O-N 3.39Å; R341-L344 WeakPolarHBondContact O-CB 3.49Å; R341-L344 PolarHBondContact O-N 3.08Å; R342-L344 VanDerWaalsContact C-N 3.34Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 3.48Å; L344-H347 PolarHBondContact O-N 3.26Å; L344-F348 HydrophobicContact CD2-CE2 3.83Å; L344-F348 HydrophobicContact CG-CD2 4.14Å; L344-F348 HydrophobicContact CG-CE2 3.69Å; L344-F348 VanDerWaalsContact O-CD2 3.24Å; L344-F348 WeakPolarHBondContact O-CD2 3.4Å; L344-F348 PolarHBondContact O-N 3.48Å
345D70.9Confident66.3Low94 Ų9471.3 Ų71.350%0.50338%0.384SS..Hα-helixtrans-57.2-40.1176.2-72.6-19.3000110.5R341 R342 S349R341-D345 WeakPolarHBondContact O-CB 3.38Å; R341-D345 VanDerWaalsContact O-CG 3.3Å; R341-D345 PolarHBondContact O-N 2.98Å; R342-D345 PolarHBondContact O-N 3.32Å; D345-S349 PolarHBondContact O-N 2.9Å; D345-S349 VanDerWaalsContact O-N 3.12Å
346S68.5Low63.6Low53 Ų5380 Ų8037%0.37142%0.42SS..Hα-helixtrans-68.4-43.9174.850.20000113.3R342 W343 L344 F348 S349 V350R342-S346 PolarHBondContact O-N 2.98Å; R342-S346 PolarHBondContact O-OG 3.47Å; R342-S346 VanDerWaalsContact O-OG 3.09Å; W343-S346 WeakPolarHBondContact CA-OG 3.21Å; W343-S346 PolarHBondContact O-N 3.32Å; W343-S346 PolarHBondContact O-OG 3.26Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 3.48Å; S346-F348 VanDerWaalsContact C-N 3.33Å; S346-F348 PolarHBondContact O-N 3.3Å; S346-S349 WeakPolarHBondContact CA-OG 3.17Å; S346-S349 PolarHBondContact O-N 3.01Å; S346-S349 VanDerWaalsContact O-N 3.13Å; S346-S349 PolarHBondContact O-OG 2.85Å; S346-V350 PolarHBondContact O-N 3.24Å
347H65Low60.8Low86 Ų8689.3 Ų89.340%0.39846%0.456SS..Hα-helixtrans-62.6-39.5177.5-98.7-77.9000112.1W343 L344 V350 S351W343-H347 AromaticContact CD1-CD2 3.95Å; W343-H347 AromaticContact CD2-CD2 3.98Å; W343-H347 AromaticContact CE2-CD2 3.28Å; W343-H347 AromaticContact CE2-NE2 3.49Å; W343-H347 AromaticContact CZ2-CD2 3.41Å; W343-H347 VanDerWaalsContact CZ2-CD2 3.41Å; W343-H347 WeakPolarHBondContact CZ2-CD2 3.39Å; W343-H347 AromaticContact CZ2-NE2 3.41Å; W343-H347 WeakPolarHBondContact CZ2-NE2 3.36Å; W343-H347 AromaticContact NE1-CD2 3.28Å; W343-H347 PolarHBondContact NE1-CD2 3.45Å; W343-H347 VanDerWaalsContact NE1-CD2 3.28Å; W343-H347 AromaticContact NE1-NE2 3.28Å; W343-H347 PolarHBondContact NE1-NE2 2.92Å; W343-H347 PolarHBondContact O-N 2.99Å; L344-H347 PolarHBondContact O-N 3.26Å; H347-V350 PolarHBondContact O-N 3.45Å; H347-S351 WeakPolarHBondContact O-CB 3.43Å; H347-S351 PolarHBondContact O-N 3.19Å
348F61.2Low58.2Low134 Ų13496.2 Ų96.259%0.58849%0.493SS*.Hα-helixtrans-65-36.9173.5-75.2-56.6000112.6L344 S346 S351 S352L344-F348 HydrophobicContact CD2-CE2 3.83Å; L344-F348 HydrophobicContact CG-CD2 4.14Å; L344-F348 HydrophobicContact CG-CE2 3.69Å; L344-F348 VanDerWaalsContact O-CD2 3.24Å; L344-F348 WeakPolarHBondContact O-CD2 3.4Å; L344-F348 PolarHBondContact O-N 3.48Å; S346-F348 VanDerWaalsContact C-N 3.33Å; S346-F348 PolarHBondContact O-N 3.3Å; F348-S351 PolarHBondContact O-N 3.48Å; F348-S352 PolarHBondContact O-N 3.27Å; F348-S352 VanDerWaalsContact O-N 3.17Å; F348-S352 PolarHBondContact O-OG 3.42Å
349S55.3Low55.8Low65 Ų65100.2 Ų100.246%0.45551%0.514SS..Hα-helixtrans-66.7-36.9176.468.30000113.6D345 S346 S352D345-S349 PolarHBondContact O-N 2.9Å; D345-S349 VanDerWaalsContact O-N 3.12Å; S346-S349 WeakPolarHBondContact CA-OG 3.17Å; S346-S349 PolarHBondContact O-N 3.01Å; S346-S349 VanDerWaalsContact O-N 3.13Å; S346-S349 PolarHBondContact O-OG 2.85Å; S349-S352 PolarHBondContact O-OG 2.9Å; S349-S352 VanDerWaalsContact O-OG 3.08Å
350V53.2Low53.7Low84 Ų84106.8 Ų106.851%0.50955%0.548SS..Hα-helixtrans-75.3-37.6175177.80000111S346 H347 S352 Q353S346-V350 PolarHBondContact O-N 3.24Å; H347-V350 PolarHBondContact O-N 3.45Å; V350-S352 PolarHBondContact O-N 3.34Å; V350-S352 VanDerWaalsContact O-N 3.15Å; V350-Q353 PolarHBondContact O-N 3.13Å; V350-Q353 VanDerWaalsContact O-N 3.16Å
351S49.9Very low51.3Low92 Ų92114.3 Ų114.364%0.64358%0.579SS**Hα-helixtrans-65.9-11.2174.9-172.50000114.2H347 F348H347-S351 WeakPolarHBondContact O-CB 3.43Å; H347-S351 PolarHBondContact O-N 3.19Å; F348-S351 PolarHBondContact O-N 3.48Å
352S47.5Very low49.1Very low88 Ų88119.7 Ų119.762%0.61561%0.61SS**THydrogen-bonded Turntrans-103.516.6175.742.90000113.4F348 S349 V350F348-S352 PolarHBondContact O-N 3.27Å; F348-S352 VanDerWaalsContact O-N 3.17Å; F348-S352 PolarHBondContact O-OG 3.42Å; S349-S352 PolarHBondContact O-OG 2.9Å; S349-S352 VanDerWaalsContact O-OG 3.08Å; V350-S352 PolarHBondContact O-N 3.34Å; V350-S352 VanDerWaalsContact O-N 3.15Å
353Q32.2Very low47.1Very low140 Ų140119.3 Ų119.365%0.65462%0.624SS**  trans-117.644.6168-62.2-169-58.900115.7V350V350-Q353 PolarHBondContact O-N 3.13Å; V350-Q353 VanDerWaalsContact O-N 3.16Å
354P30.9Very low45Very low99 Ų99121.8 Ų121.864%0.64365%0.646SS**  trans-76.7149.4154.134.6-30000109.9
355L35.2Very low42.8Very low165 Ų165126.6 Ų126.686%0.86466%0.664SS**SBendtrans8052.8-177.1-53.9168.5000117.5
356F31.6Very low40.9Very low205 Ų205129.6 Ų129.690%0.89968%0.675SS**SBendtrans-162.870.3148.1-104-64.1000112
357R30.7Very low39Very low199 Ų199131.6 Ų131.675%0.75169%0.689SS**SBendtrans-154.93166.9-171.6145.5-87.6-130.5-7.9115.2
358N34.1Very low37.4Very low146 Ų146136.2 Ų136.278%0.78171%0.711SS**SBendtrans-119.2139.3172.6-68.36.5000109.3
359N33.3Very low36.1Very low153 Ų153135.8 Ų135.882%0.81872%0.719SS**  trans72.669.8161.5-55.47.4000118.5
360I36.9Very low34.9Very low154 Ų154137.9 Ų137.979%0.7973%0.73SS**  trans-132.6130.1135.9-57.5176.6000103.6
361K33.4Very low34.1Very low174 Ų174140.2 Ų140.276%0.75775%0.747SS**SBendcis-107.3168.89.8-60.1-178.6176.5-179.40111.4
362D33.2Very low33.1Very low137 Ų137142.9 Ų142.973%0.73375%0.754SS**SBendcis-139.1150.415.5-110.1-48.7000114.7
363S35Very low32Very low100 Ų100143.8 Ų143.870%0.69976%0.76SS**  trans72.8143.315684.20000121.8
364T31Very low32.1Very low112 Ų112144.5 Ų144.569%0.68776%0.763SS**  trans82.897.5146.1-40.90000119.9
365F30.4Very low32.1Very low179 Ų179146.8 Ų146.879%0.78577%0.77SS**  trans64.7161.5153.1-80.9-120000118.4
366Q30.6Very low32Very low156 Ų156147.1 Ų147.173%0.72977%0.767SS**  cis-167.1145.2-46.6-137.3-177.8600107.2
367S29.6Very low31.9Very low95 Ų95144.3 Ų144.366%0.66476%0.761SS**  trans48.6112.1157.5-1700000121.2
368E30.5Very low32.1Very low184 Ų184141.3 Ų141.386%0.8676%0.764SS**  -178.6115.5118.1-96.8172.7-165.800108.3
369V34.7Very low32Very low125 Ų125137.8 Ų137.876%0.75876%0.763SS**  74.912677.1175.10000112.2
370P29.9Very low31.9Very low108 Ų108136.6 Ų136.670%0.70176%0.761SS**  trans-90.6155.1-15935.3-37.4000114.9N372P370-N372 PolarHBondContact O-N 3.17Å
371P36.3Very low31.8Very low133 Ų133134.7 Ų134.786%0.86476%0.756SS**  trans-70.494170.430-34.1000110.5
372N28.7Very low31.7Very low148 Ų148132.1 Ų132.179%0.79175%0.751SS**  trans-62.3154.8170.1-16411.6000110.4P370 H374P370-N372 PolarHBondContact O-N 3.17Å; N372-H374 PolarHBondContact O-N 2.88Å
373C24.9Very low31.6Very low107 Ų107132 Ų13272%0.72375%0.75SS**SBendtrans-80.4102.9164-70.50000108.4
374H33.4Very low31.6Very low156 Ų156134.5 Ų134.572%0.72275%0.754SS**  175.9131.9128.6-101.8-80.9000112.2N372N372-H374 PolarHBondContact O-N 2.88Å
375D31.5Very low31.9Very low147 Ų147134.7 Ų134.779%0.78676%0.757SS**  trans58171.5147.1-49.6-26.5000121
376E31.4Very low31.9Very low172 Ų172131.8 Ų131.880%0.80475%0.754SS**  trans-90.6162.5-171.8-58.5173.4112.800112.5
377N30.6Very low32.1Very low145 Ų145130.3 Ų130.378%0.77576%0.756SS**  trans83.8129.7154.7-60.9-47.9000120.5
378V34.7Very low32.3Very low136 Ų136135.1 Ų135.182%0.82476%0.759SS**  trans67.582.7155.7-172.50000118
379G32.6Very low32.5Very low72 Ų72132.8 Ų132.874%0.74275%0.749SS**  78.9161.394.500000121.7
380V31Very low32.5Very low129 Ų129131.6 Ų131.678%0.78275%0.746SS**  trans81.497.7147.2178.70000118.8
381V33.4Very low32.9Very low113 Ų113132.1 Ų132.169%0.68575%0.747SS**  87.2110.7125.6164.90000121.5
382N33Very low33Very low121 Ų121130.8 Ų130.865%0.64774%0.741SS**  65.2127128.6-57.54000123.8
383N31.1Very low33.3Very low134 Ų134132.9 Ų132.972%0.71774%0.737SS**  42124.7118.5-39-19.2000120.3
384I34.4Very low33.9Very low153 Ų153133.7 Ų133.779%0.78573%0.73SS**  177.9139.9103.6-91.5159.3000110.8
385P36.3Very low33.9Very low115 Ų115133 Ų13375%0.74773%0.732SS**  trans-101.8160.6171.439-33.4000113.1
386T31.3Very low33.9Very low119 Ų119133.1 Ų133.173%0.7373%0.732SS**  trans-161.8135.2164.420.80000113.2
387T34.3Very low33.9Very low125 Ų125132.3 Ų132.377%0.76773%0.732SS**  trans60151.1154.353.60000118.1
388R33.7Very low33.7Very low196 Ų196133.3 Ų133.374%0.7474%0.738SS**  cis-163.8161.73.7-120.4-178.4147.6102.422105.5
389E35.4Very low33.3Very low135 Ų135132 Ų13263%0.63173%0.732SS**  cis-161.6-164.4-13.8-135.8164.4-156.500104.2
390S34.8Very low33Very low100 Ų100132.7 Ų132.770%0.69973%0.73SS**  cis-170.4149.6-542.50000106.4
391V37.3Very low32.9Very low119 Ų119132.5 Ų132.572%0.72173%0.729SS**  cis-165.6147.5-12.2124.50000107.5
392S38.3Very low32.6Very low105 Ų105132.5 Ų132.573%0.73473%0.73SS**  trans70.6157167.1840000117.8
393R37Very low32.6Very low192 Ų192135.2 Ų135.273%0.72574%0.736SS**  cis-154.31612-142.9174.7165111.721.4112.8
394E36.5Very low32.5Very low123 Ų123132.1 Ų132.158%0.57573%0.725SS**  trans2.1146.2146.3-63.9154.6-156.500118.7
395N34.1Very low32.4Very low142 Ų142130 Ų13076%0.75972%0.715SS**  cis-168.3176.13.6-111.8-20.7000111.1
396L31.8Very low32.2Very low149 Ų149127.8 Ų127.878%0.7870%0.703SS**  trans79126.8161.8-131.774.1000118.8
397L30.2Very low32Very low155 Ų155127.2 Ų127.281%0.81270%0.702SS**SBendtrans33.290.6162.5-99.964000119.5P399L397-P399 VanDerWaalsContact C-CD 3.42Å; L397-P399 WeakPolarHBondContact O-CD 3.34Å
398N27.6Very low31.6Very low166 Ų166125.3 Ų125.389%0.88869%0.694SS**  trans50.652.3151.6-60.12.6000119.6
399P24.7Very low31.5Very low110 Ų110119.2 Ų119.271%0.71468%0.681SS**  trans-85.2170.8153.937.6-34.3000111.3L397L397-P399 VanDerWaalsContact C-CD 3.42Å; L397-P399 WeakPolarHBondContact O-CD 3.34Å
400A27.7Very low31.2Very low85 Ų85117.7 Ų117.770%0.70268%0.681SS**  cis179.3164.2-35.100000107.9
401V27.6Very low31.2Very low124.5 Ų124.5119.2 Ų119.276%0.75568%0.682SS**  trans83.8114.3163.9-168.60000118.8
402T27.6Very low30.7Very low113 Ų113121.5 Ų121.569%0.69369%0.689SS**  trans9.6137.6161.8470000118.9
403F32.5Very low30.6Very low178 Ų178121.8 Ų121.878%0.78169%0.687SS**  -145155.768.8-88.1-92.4000108.7N506F403-N506 VanDerWaalsContact CA-OD1 3.32Å; F403-N506 WeakPolarHBondContact CA-OD1 3.3Å
404S30.2Very low30.2Very low69.5 Ų69.5118.2 Ų118.249%0.48669%0.686SS.*  138.3162.1-1298.80000113.8N506 S507 N508S404-N506 PolarHBondContact N-O 2.77Å; S404-N506 PolarHBondContact N-OD1 3.19Å; S404-S507 WeakPolarHBondContact CA-O 3.37Å; S404-S507 VanDerWaalsContact CB-O 3.27Å; S404-S507 WeakPolarHBondContact CB-O 3.34Å; S404-S507 PolarHBondContact OG-O 3.16Å; S404-N508 WeakPolarHBondContact OG-CB 3.41Å; S404-N508 PolarHBondContact OG-ND2 3.2Å
405D31Very low30.1Very low108.5 Ų108.5116.8 Ų116.858%0.5869%0.686SS**  139.1142.675-111.6-1000114S507 N508 E509D405-S507 VanDerWaalsContact CG-C 3.5Å; D405-S507 WeakPolarHBondContact OD1-CA 3.45Å; D405-S507 PolarHBondContact OD1-N 3.27Å; D405-S507 WeakPolarHBondContact OD2-CA 3.36Å; D405-N508 VanDerWaalsContact CG-N 3.31Å; D405-N508 PolarHBondContact OD2-N 3.2Å; D405-E509 PolarHBondContact OD2-N 3.27Å
406S32.2Very low29.7Very low70 Ų70116.9 Ų116.949%0.4969%0.691SS.*  -169.3162.4-91.941.80000114.7E504 N505S406-E504 CarbonylContact C-O 3.57Å; S406-E504 VanDerWaalsContact CB-N 3.34Å; S406-E504 VanDerWaalsContact CB-O 3.27Å; S406-E504 WeakPolarHBondContact CB-O 3.3Å; S406-E504 WeakPolarHBondContact OG-CA 3.5Å; S406-E504 WeakPolarHBondContact OG-CB 3.42Å; S406-E504 PolarHBondContact OG-N 2.97Å; S406-E504 PolarHBondContact OG-O 2.75Å; S406-N505 WeakPolarHBondContact O-CA 3.37Å; S406-N505 PolarHBondContact OG-N 2.94Å; S406-N505 VanDerWaalsContact OG-N 3.08Å
407C26.6Very low29.6Very low106 Ų106114.6 Ų114.672%0.71669%0.688SS**  trans147.3115.4171.5-116.10000113.3P503 E504C407-P503 VanDerWaalsContact O-CB 3.22Å; C407-P503 WeakPolarHBondContact O-CB 3.32Å; C407-P503 WeakPolarHBondContact O-CD 2.94Å; C407-P503 WeakPolarHBondContact O-CG 3.48Å; C407-E504 WeakPolarHBondContact CA-O 3.47Å; C407-E504 PolarHBondContact N-O 3.01Å
408S27.4Very low29.6Very low85.5 Ų85.5110.6 Ų110.660%0.59868%0.677SS**  trans-8.5145.6132.982.70000115.7T410 P503S408-T410 PolarHBondContact OG-O 2.84Å; S408-T410 VanDerWaalsContact OG-O 3.11Å; S408-P503 WeakPolarHBondContact CA-O 3.36Å; S408-P503 WeakPolarHBondContact CB-O 3.43Å; S408-P503 PolarHBondContact N-O 3.28Å
409S30.4Very low29.6Very low66.5 Ų66.5110.1 Ų110.147%0.46567%0.674SS.*  -115.2153.189.661.50000112.3E502S409-E502 WeakPolarHBondContact O-CG 3.35Å; S409-E502 WeakPolarHBondContact OG-CA 3.3Å; S409-E502 VanDerWaalsContact OG-CB 3.24Å; S409-E502 WeakPolarHBondContact OG-CB 3.26Å; S409-E502 VanDerWaalsContact OG-CG 3.3Å; S409-E502 WeakPolarHBondContact OG-CG 3.34Å
410T29.1Very low30Very low104 Ų104109.8 Ų109.864%0.63867%0.672SS**  trans61.5163.3153.937.70000118.8S408 E502S408-T410 PolarHBondContact OG-O 2.84Å; S408-T410 VanDerWaalsContact OG-O 3.11Å; T410-E502 WeakPolarHBondContact CB-OE1 3.29Å; T410-E502 PolarHBondContact OG1-OE1 3.43Å; T410-E502 PolarHBondContact OG1-OE2 3.28Å
411N34.6Very low30.1Very low132 Ų132111.3 Ų111.371%0.70667%0.673SS**  trans-1.7126.2-173.7-53.2-37000115T413N411-T413 HydrophobicContact CB-CG2 3.8Å; N411-T413 PolarHBondContact O-N 3.22Å; N411-T413 PolarHBondContact O-OG1 2.91Å
412L28.3Very low30.1Very low167.5 Ų167.5112 Ų11288%0.87767%0.672SS**  4.877.487.9-167.5125.9000111.3T414L412-T414 PolarHBondContact O-N 2.92Å
413T34.9Very low30Very low111.5 Ų111.5112.1 Ų112.168%0.68468%0.676SS**  trans-109.292168.223.20000110.8N411 T415N411-T413 HydrophobicContact CB-CG2 3.8Å; N411-T413 PolarHBondContact O-N 3.22Å; N411-T413 PolarHBondContact O-OG1 2.91Å; T413-T415 PolarHBondContact O-N 3.26Å
414T29.2Very low29.9Very low116.5 Ų116.5107 Ų10772%0.71567%0.673SS**  trans7.5110146.7-49.10000112.6L412 V416L412-T414 PolarHBondContact O-N 2.92Å; T414-V416 HydrophobicContact CG2-CG2 4.37Å
415T33.6Very low29.8Very low93.5 Ų93.5110.6 Ų110.657%0.57469%0.687SS**  trans-25.793.616253.30000117.1T413 S417 A418T413-T415 PolarHBondContact O-N 3.26Å; T415-S417 WeakPolarHBondContact CB-O 3.37Å; T415-S417 WeakPolarHBondContact CG2-O 3.48Å; T415-S417 PolarHBondContact O-N 2.86Å; T415-A418 PolarHBondContact OG1-O 2.86Å
416V27.3Very low29.9Very low142.5 Ų142.5113.1 Ų113.186%0.86470%0.696SS**  -87121.7126.5176.80000106.6T414T414-V416 HydrophobicContact CG2-CG2 4.37Å
417S28.9Very low29.8Very low102 Ų102116.1 Ų116.171%0.71371%0.706SS**SBend-112.7114.689.7-63.30000110.9T415T415-S417 WeakPolarHBondContact CB-O 3.37Å; T415-S417 WeakPolarHBondContact CG2-O 3.48Å; T415-S417 PolarHBondContact O-N 2.86Å
418A29.6Very low30.3Very low71 Ų71118 Ų11859%0.58771%0.707SS**  63.2119.2120.800000115T415T415-A418 PolarHBondContact OG1-O 2.86Å
419L29.2Very low30.6Very low155.5 Ų155.5119.5 Ų119.581%0.81471%0.713SS**  -14.1138.296-93.384.5000110.9
420P31.9Very low30.5Very low103 Ų103121.2 Ų121.267%0.66972%0.724SS**  cis-86.5164.947.633.5-20.6000107.6
421T29.1Very low30.6Very low117.5 Ų117.5123.9 Ų123.972%0.72173%0.727SS**  cis-38.9148.737.265.30000110.2
422D27.9Very low30.4Very low139.5 Ų139.5122.8 Ų122.875%0.74672%0.721SS**  70.1124.6102.7-112-12.8000115.7
423C26Very low30.7Very low113.5 Ų113.5121.9 Ų121.977%0.76771%0.712SS**  54.8133.5123.3-690000115N425C423-N425 PolarHBondContact O-N 3.09Å
424G30.3Very low30.5Very low70.5 Ų70.5122 Ų12273%0.72772%0.717SS**  -90.4144.8-95.600000111.3
425N29.5Very low30.7Very low145.5 Ų145.5126.7 Ų126.778%0.77872%0.724SS**  128.5125.190.6-78.2-14.1000108.1C423C423-N425 PolarHBondContact O-N 3.09Å
426E32.4Very low30.8Very low162.5 Ų162.5126.5 Ų126.576%0.75973%0.731SS**  137.9145.569-65.2-167.2121.900114.9
427N30.5Very low31.2Very low132.5 Ų132.5126.3 Ų126.371%0.70973%0.725SS**  trans64.9121.2153.9-50.5-50.5000117
428I36.3Very low31.5Very low145 Ų145128 Ų12874%0.74473%0.725SS**  147.9124.664.7-82.6166.2000111.4
429T34.2Very low31.9Very low116.5 Ų116.5131.1 Ų131.172%0.71573%0.732SS**  trans47.2134.4152.2580000121.6
430C28Very low32Very low102.5 Ų102.5130.6 Ų130.669%0.69373%0.73SS**  138.6146.258.7-90.80000114.3
431K31Very low32.2Very low162 Ų162130.9 Ų130.970%0.70473%0.734SS**  144.3157.260.3-90.9-167.2162.4-1600112.6
432D31.4Very low32.2Very low108 Ų108133.6 Ų133.658%0.57874%0.739SS**  cis128.3149.933.2-98.8-14.4000114.1
433Q33.4Very low32.3Very low148 Ų148133.5 Ų133.569%0.69274%0.738SS**  122.2147.378.4-95.2152.934.300116
434S31Very low32.6Very low114.5 Ų114.5136.1 Ų136.180%0.80174%0.738SS**  -136.7172.5116.346.10000111.2
435Y33.5Very low32.9Very low216 Ų216137.5 Ų137.585%0.84773%0.734SS**  -151.6144-116.6-139.1-84.2000109.1
436A36.2Very low33.3Very low87.5 Ų87.5136.8 Ų136.872%0.72373%0.73SS**  trans124.5139.7164.500000113.3
437D34.8Very low33.5Very low138.5 Ų138.5135.7 Ų135.774%0.74173%0.725SS**  -136.1155.6-90.1-78.5-43.6000111.3
438I35.2Very low33.5Very low138 Ų138135.9 Ų135.971%0.70873%0.726SS**  -156.313866.4-104.1-178.2000110.3
439N37.9Very low33.3Very low137.5 Ų137.5136.5 Ų136.574%0.73573%0.73SS**  trans125154.4149.6-88.8-23.9000116.1
440N32.3Very low33.3Very low144.5 Ų144.5135.4 Ų135.477%0.77373%0.733SS**  123.5147.3-101.2-77.1-19.6000110.6
441S34.4Very low33.6Very low109.5 Ų109.5137.7 Ų137.777%0.76673%0.734SS**  -18.4173.980.6-66.10000114.9
442E30.2Very low33.5Very low173 Ų173138.1 Ų138.181%0.80874%0.735SS**  -121161.8-95.8-82.117183.700111.5
443L29Very low33.4Very low138.5 Ų138.5139.1 Ų139.173%0.72575%0.749SS**  134.1134.966.8-159.367.1000115.6
444H33.7Very low33.5Very low168 Ų168136.8 Ų136.878%0.77875%0.749SS**  trans74160150.4-94.2-125.6000121
445P36.9Very low33.8Very low99 Ų99136.8 Ų136.864%0.64375%0.747SS**  trans-120.9-160.8-155.540-24.1000113.9
446D36.1Very low33.7Very low130.5 Ų130.5131.2 Ų131.270%0.69874%0.739SS**  trans134.1149.3148.7-93.7-12.9000117.2
447Q37.3Very low33.7Very low140.5 Ų140.5136.7 Ų136.766%0.65775%0.747SS**  114142.171-95.7170.963.600118.4
448N31.5Very low33.6Very low136 Ų136137.7 Ų137.773%0.72775%0.747SS**  trans48.4142.1135.3-61-35.7000123.1
449L31Very low33.2Very low158 Ų158136.3 Ų136.383%0.82775%0.748SS**  114.312572.6-164.480000115.6
450A35.3Very low33.1Very low92.5 Ų92.5135.1 Ų135.176%0.76475%0.746SS**  trans130142.6149.600000114.4
451Q32.5Very low33.1Very low152.5 Ų152.5133.6 Ų133.671%0.71374%0.742SS**  cis148131-7.2-172.7170.6-13.200113.5
452K29.3Very low33Very low170 Ų170136.1 Ų136.174%0.73974%0.744SS**  trans65.1140.9159.8-79.9158.9-177.3165.40118.1
453C30.3Very low33.2Very low128 Ų128132.9 Ų132.987%0.86573%0.732SS**  -135165.970.8-132.90000113.7
454S34.2Very low33.4Very low99.5 Ų99.5133.1 Ų133.170%0.69673%0.73SS**  trans-124.4-150.2-177.6-39.80000108.7
455P38.2Very low33.3Very low115.5 Ų115.5131.5 Ų131.575%0.7572%0.721SS**  cis-126.8-171.9-28.538.5-21.3000113
456S31.8Very low33.2Very low98.5 Ų98.5133 Ų13369%0.68972%0.719SS**  trans120.5141.1-140.566.70000116.5
457K36.5Very low32.9Very low202 Ų202135 Ų13588%0.87872%0.724SS**  trans-167.2154.4140.4-108.5172.1-179.2-179.60111.6
458Q31.5Very low32.6Very low160 Ų160133.5 Ų133.575%0.74873%0.729SS**  -143.1156.2-99.9-122.8160.4-36.800111.3
459C28.4Very low32.4Very low109 Ų109134.9 Ų134.974%0.73674%0.735SS**  trans127.5136.2145-87.50000112.7
460T34.8Very low32.3Very low113 Ų113132.7 Ų132.769%0.69373%0.734SS**  cis139.8128.844.645.80000110.9
461T31.5Very low31.8Very low112.5 Ų112.5136 Ų13669%0.6974%0.737SS**  cis126.3133.737.338.90000113.2
462M33.4Very low31.8Very low161 Ų161132.3 Ų132.379%0.79374%0.74SS**  trans116.4130.6147.4-77.8-134.613000111.9
463D33Very low31.8Very low106.5 Ų106.5131.1 Ų131.157%0.5774%0.741SS**  cis135.6149.837.6-97-50.8000111.9
464Q33.7Very low31.8Very low143.5 Ų143.5129.5 Ų129.567%0.67173%0.731SS**  119.3172.371.2-99.5165.960.900115
465K33Very low31.8Very low134.5 Ų134.5132.4 Ų132.459%0.58573%0.733SS**  cis-165.816816.2-132.6166.8-177.6-79.50110.9
466E32.9Very low31.6Very low130 Ų130133.4 Ų133.461%0.60773%0.73SS**  trans33.7136.5141.6-77.9147-152.800122.1
467E31.3Very low31.7Very low171.5 Ų171.5139.1 Ų139.180%0.80174%0.737SS**  cis138.7155.444.3-101.5-175.7154.900113.6
468S31.2Very low31.6Very low109.5 Ų109.5132.5 Ų132.577%0.76673%0.726SS**  135.715785.460.40000115.4
469L26.7Very low31.6Very low165 Ų165132.3 Ų132.386%0.86473%0.725SS**  14.6143.594.7-123.5102.1000113
470S28Very low31.8Very low112.5 Ų112.5133 Ų13379%0.78773%0.726SS**  trans142.9127.817763.10000112.4
471L26.4Very low31.5Very low161 Ų161132.4 Ų132.484%0.84373%0.726SS**  -7.579.9103.4-163.6101.2000111.8I473L471-I473 HydrophobicContact CD2-CD1 3.64Å; L471-I473 HydrophobicContact CD2-CG1 4.15Å; L471-I473 HydrophobicContact CG-CD1 4.27Å; L471-I473 HydrophobicContact CG-CG1 4.23Å; L471-I473 PolarHBondContact O-N 2.83Å; L471-I473 VanDerWaalsContact O-N 3.13Å
472G31.7Very low31.6Very low75.5 Ų75.5133 Ų13378%0.77873%0.729SS**  trans-158.6113.9169.600000115.3
473I30Very low31.3Very low145 Ų145132.2 Ų132.274%0.74473%0.728SS**  trans-11.6123.5159.3-61.3175.7000114.9L471L471-I473 HydrophobicContact CD2-CD1 3.64Å; L471-I473 HydrophobicContact CD2-CG1 4.15Å; L471-I473 HydrophobicContact CG-CD1 4.27Å; L471-I473 HydrophobicContact CG-CG1 4.23Å; L471-I473 PolarHBondContact O-N 2.83Å; L471-I473 VanDerWaalsContact O-N 3.13Å
474S29.7Very low31.1Very low93.5 Ų93.5133 Ų13365%0.65474%0.741SS**  trans80.7148.3148.885.90000120.7
475H33Very low30.9Very low160 Ų160132.4 Ų132.474%0.74175%0.747SS**  149.6144.366.6-110.8-37.8000118.1
476I35.7Very low30.7Very low136.5 Ų136.5130.6 Ų130.670%0.775%0.752SS**  trans73.8129.2143.7-64.4165.9000115.5
477R32.7Very low30.5Very low220 Ų220132.8 Ų132.883%0.8376%0.761SS**  cis160.3161.923.6-155.6169.1-169.6163.91.7109.1
478G34.5Very low30.4Very low62 Ų62130.6 Ų130.664%0.63976%0.76SS**  cis-161.8-173.811.200000112.8
479E31.8Very low30.4Very low156.5 Ų156.5130.9 Ų130.973%0.73176%0.759SS**  -105.8-178.486-55.5153.3119.400108.9
480V33.4Very low30.4Very low124.5 Ų124.5132.3 Ų132.376%0.75576%0.758SS**  cis-150.714133.2135.40000107.3
481S28.4Very low30.3Very low99.5 Ų99.5132.3 Ų132.370%0.69676%0.758SS**  -119.2169.680.4-70.40000108.2
482T33.5Very low30.4Very low124 Ų124132.2 Ų132.276%0.76176%0.758SS**  -158142.277.8-180000110.9
483D27.5Very low30.1Very low145 Ų145132.7 Ų132.778%0.77575%0.749SS**  trans-24.8152.3164-46.1-64.1000117.2
484C29Very low30Very low123 Ų123134.6 Ų134.683%0.83176%0.755SS**  -153.7129.278.6-92.10000114.1
485T28.4Very low29.8Very low131 Ų131137.5 Ų137.580%0.80476%0.758SS**  trans-33.5115.1154.448.90000117.9
486S29.1Very low29.5Very low97.5 Ų97.5136.4 Ų136.468%0.68276%0.762SS**  trans142129138.6660000117.1
487H28.7Very low29Very low175 Ų175134.4 Ų134.481%0.8176%0.756SS**  66112.3121.6-73.5-73.6000118.9
488V29.5Very low28.9Very low126.5 Ų126.5130.4 Ų130.477%0.76776%0.756SS**  121.7144.1127.7165.40000113.6
489P29.7Very low28.5Very low115.5 Ų115.5133.8 Ų133.875%0.7576%0.759SS**  -109.9153.881.228.6-13.8000114.7
490K26.7Very low28.3Very low195 Ų195134.2 Ų134.285%0.84876%0.76SS**  trans-114126.4165-76.8150.7-179.51780110.9
491S27.5Very low28.1Very low112.5 Ų112.5136.2 Ų136.279%0.78777%0.766SS**  114.2130106.8640000112
492L28.6Very low28.1Very low159 Ų159138.2 Ų138.283%0.83276%0.764SS**  -140.3135.564.2-168.866.7000110.1
493S25.7Very low28.1Very low86 Ų86136.3 Ų136.360%0.60175%0.754SS**  trans-84.4142.217651.80000112
494H27.9Very low28.2Very low184 Ų184136.6 Ų136.685%0.85275%0.751SS**  trans-127.9105.3146-106.4-78000109.8
495Q25.3Very low28.2Very low155.5 Ų155.5137.4 Ų137.473%0.72775%0.747SS**  trans-78.6135.7171.8-66.8159.5-41.300109.3
496V26.9Very low28.3Very low136 Ų136135.4 Ų135.482%0.82473%0.731SS**  trans-125.5101.2143179.20000106.2V498V496-V498 PolarHBondContact O-N 2.9Å
497T25.2Very low28.4Very low94.5 Ų94.5134.5 Ų134.558%0.5873%0.725SS**  trans-81.8111.6-174.5-50.70000110.2L499T497-L499 HydrophobicContact CG2-CB 4.21Å; T497-L499 HydrophobicContact CG2-CD1 4.14Å; T497-L499 HydrophobicContact CG2-CG 3.93Å
498V28.9Very low28.2Very low135 Ų135132.7 Ų132.782%0.81872%0.721SS**  trans-110.787.3159.2-176.70000106.3V496V496-V498 PolarHBondContact O-N 2.9Å
499L26.9Very low28.3Very low134.5 Ų134.5134.7 Ų134.770%0.70472%0.722SS**  trans-13.4125.7134.8-97156.3000112T497T497-L499 HydrophobicContact CG2-CB 4.21Å; T497-L499 HydrophobicContact CG2-CD1 4.14Å; T497-L499 HydrophobicContact CG2-CG 3.93Å
500H26.9Very low28.1Very low164.5 Ų164.5136.9 Ų136.976%0.76272%0.722SS**  trans-10.8133.5153.8-78-115.1000114.8
501L30Very low28.1Very low167 Ų167135.6 Ų135.687%0.87472%0.717SS**  -158.2144.9112.1-104.1160000110.9
502E29.2Very low28.1Very low142 Ų142135.1 Ų135.166%0.66471%0.705SS**  trans-102.9146.9-175.5-147.1-177.2152.200109.5S409 T410S409-E502 WeakPolarHBondContact O-CG 3.35Å; S409-E502 WeakPolarHBondContact OG-CA 3.3Å; S409-E502 VanDerWaalsContact OG-CB 3.24Å; S409-E502 WeakPolarHBondContact OG-CB 3.26Å; S409-E502 VanDerWaalsContact OG-CG 3.3Å; S409-E502 WeakPolarHBondContact OG-CG 3.34Å; T410-E502 WeakPolarHBondContact CB-OE1 3.29Å; T410-E502 PolarHBondContact OG1-OE1 3.43Å; T410-E502 PolarHBondContact OG1-OE2 3.28Å
503P32.4Very low28Very low83.5 Ų83.5132.3 Ų132.354%0.54270%0.699SS.*  trans-89.7160.5-159.111.6-4000114.7C407 S408C407-P503 VanDerWaalsContact O-CB 3.22Å; C407-P503 WeakPolarHBondContact O-CB 3.32Å; C407-P503 WeakPolarHBondContact O-CD 2.94Å; C407-P503 WeakPolarHBondContact O-CG 3.48Å; S408-P503 WeakPolarHBondContact CA-O 3.36Å; S408-P503 WeakPolarHBondContact CB-O 3.43Å; S408-P503 PolarHBondContact N-O 3.28Å
504E29.9Very low28.2Very low152 Ų152132.9 Ų132.971%0.7170%0.7SS**  trans-112.3-177165.3-146.7-151.2119.800112.8S406 C407 N506S406-E504 CarbonylContact C-O 3.57Å; S406-E504 VanDerWaalsContact CB-N 3.34Å; S406-E504 VanDerWaalsContact CB-O 3.27Å; S406-E504 WeakPolarHBondContact CB-O 3.3Å; S406-E504 WeakPolarHBondContact OG-CA 3.5Å; S406-E504 WeakPolarHBondContact OG-CB 3.42Å; S406-E504 PolarHBondContact OG-N 2.97Å; S406-E504 PolarHBondContact OG-O 2.75Å; C407-E504 WeakPolarHBondContact CA-O 3.47Å; C407-E504 PolarHBondContact N-O 3.01Å; E504-N506 WeakPolarHBondContact OE1-CB 3.47Å; E504-N506 PolarHBondContact OE1-ND2 3.13Å; E504-N506 PolarHBondContact OE2-ND2 3.25Å
505N29.2Very low28.3Very low139 Ų139128.9 Ų128.974%0.74369%0.691SS**  trans-118.4112.7172.4-130.4-18.2000111.4S406S406-N505 WeakPolarHBondContact O-CA 3.37Å; S406-N505 PolarHBondContact OG-N 2.94Å; S406-N505 VanDerWaalsContact OG-N 3.08Å
506N30.3Very low28.7Very low89.5 Ų89.5126 Ų12648%0.47968%0.684SS.*  trans-152.146.9174.2-111.3-58.6000113.7F403 S404 E504F403-N506 VanDerWaalsContact CA-OD1 3.32Å; F403-N506 WeakPolarHBondContact CA-OD1 3.3Å; S404-N506 PolarHBondContact N-O 2.77Å; S404-N506 PolarHBondContact N-OD1 3.19Å; E504-N506 WeakPolarHBondContact OE1-CB 3.47Å; E504-N506 PolarHBondContact OE1-ND2 3.13Å; E504-N506 PolarHBondContact OE2-ND2 3.25Å
507S30.2Very low29Very low78 Ų78126 Ų12655%0.54568%0.675SS.*  75111.5127.473.50000117.1S404 D405 E509S404-S507 WeakPolarHBondContact CA-O 3.37Å; S404-S507 VanDerWaalsContact CB-O 3.27Å; S404-S507 WeakPolarHBondContact CB-O 3.34Å; S404-S507 PolarHBondContact OG-O 3.16Å; D405-S507 VanDerWaalsContact CG-C 3.5Å; D405-S507 WeakPolarHBondContact OD1-CA 3.45Å; D405-S507 PolarHBondContact OD1-N 3.27Å; D405-S507 WeakPolarHBondContact OD2-CA 3.36Å; S507-E509 PolarHBondContact O-N 3.1Å
508N26.2Very low29.7Very low137.5 Ų137.5125 Ų12574%0.73567%0.67SS**  trans108.830.5145.8-69.7-31.7000118.1S404 D405 Q510S404-N508 WeakPolarHBondContact OG-CB 3.41Å; S404-N508 PolarHBondContact OG-ND2 3.2Å; D405-N508 VanDerWaalsContact CG-N 3.31Å; D405-N508 PolarHBondContact OD2-N 3.2Å; N508-Q510 PolarHBondContact O-N 3.03Å; N508-Q510 VanDerWaalsContact O-N 3.17Å
509E29.7Very low30.6Very low169 Ų169124.1 Ų124.179%0.7966%0.656SS**  trans-74110.5162.7-76.8-137.3133.100111.9D405 S507 F511D405-E509 PolarHBondContact OD2-N 3.27Å; S507-E509 PolarHBondContact O-N 3.1Å; E509-F511 VanDerWaalsContact C-N 3.32Å; E509-F511 PolarHBondContact O-N 3.24Å
510Q26.3Very low31.4Very low160 Ų160118.7 Ų118.775%0.74863%0.627SS**  trans-71.781.1169.8-69.6-174.29.500110.4N508 L512N508-Q510 PolarHBondContact O-N 3.03Å; N508-Q510 VanDerWaalsContact O-N 3.17Å; Q510-L512 VanDerWaalsContact C-N 3.34Å; Q510-L512 PolarHBondContact O-N 3.19Å
511F27.9Very low32.3Very low169.5 Ų169.5113.1 Ų113.174%0.74360%0.603SS**  trans-62.3102.5177-156.1-87.2000110.2E509 S513E509-F511 VanDerWaalsContact C-N 3.32Å; E509-F511 PolarHBondContact O-N 3.24Å; F511-S513 VanDerWaalsContact C-N 3.35Å; F511-S513 PolarHBondContact O-N 3.02Å; F511-S513 VanDerWaalsContact O-N 3.16Å
512L27.1Very low33.2Very low101.5 Ų101.5106 Ų10653%0.53157%0.568SS.*PPolyproline II helixtrans-61.3106.5-174-134.778.1000109.3Q510 P514Q510-L512 VanDerWaalsContact C-N 3.34Å; Q510-L512 PolarHBondContact O-N 3.19Å; L512-P514 WeakPolarHBondContact O-CD 3.37Å; L512-P514 VanDerWaalsContact O-N 3.13Å
513S26Very low33.8Very low100 Ų100100.6 Ų100.670%0.69954%0.544SS*.PPolyproline II helixtrans-57.7119.3176.957.40000108.6F511F511-S513 VanDerWaalsContact C-N 3.35Å; F511-S513 PolarHBondContact O-N 3.02Å; F511-S513 VanDerWaalsContact O-N 3.16Å
514P29.2Very low34.6Very low97.5 Ų97.599.4 Ų99.463%0.63353%0.53SS*.PPolyproline II helixtrans-59.7145-178.924.8-33.9000109.5L512 V516L512-P514 WeakPolarHBondContact O-CD 3.37Å; L512-P514 VanDerWaalsContact O-N 3.13Å; P514-V516 PolarHBondContact O-N 3.32Å
515P30.4Very low35.5Very low100.5 Ų100.593.3 Ų93.365%0.65351%0.508SS*.PPolyproline II helixtrans-57.1121.6179.524.2-33.3000108.9E517P515-E517 PolarHBondContact O-N 3.02Å
516V34.5Very low36.4Very low95.5 Ų95.593.5 Ų93.558%0.57951%0.508SS*.  trans-66.498.9-173.9178.70000108.9P514P514-V516 PolarHBondContact O-N 3.32Å
517E33.4Very low37.2Very low136.5 Ų136.592.2 Ų92.264%0.63850%0.504SS*.  trans-60129177.8-68.1-161.9131.500109.9P515 H519P515-E517 PolarHBondContact O-N 3.02Å; E517-H519 PolarHBondContact O-N 2.73Å; E517-H519 VanDerWaalsContact O-N 3.15Å
518P38.5Very low37.9Very low72.5 Ų72.589.8 Ų89.847%0.47149%0.486SS..  trans-7593.8-177.428.7-34000110.9D208 F520D208-P518 HydrophobicContact CB-CB 3.91Å; D208-P518 HydrophobicContact CB-CG 4.36Å; P518-F520 PolarHBondContact O-N 3Å; P518-F520 VanDerWaalsContact O-N 3.16Å
519H47.4Very low38.8Very low116 Ų11685.3 Ų85.354%0.53746%0.464SS..  trans-60.1116.8177.4-81.2-78.1000111.8E517 D521 A522E517-H519 PolarHBondContact O-N 2.73Å; E517-H519 VanDerWaalsContact O-N 3.15Å; H519-D521 IonicContact CE1-OD2 3.81Å; H519-D521 IonicContact CG-OD2 3.15Å; H519-D521 IonicContact ND1-OD2 2.63Å; H519-D521 PolarHBondContact ND1-OD2 3.29Å; H519-D521 PolarHBondContact O-N 3.33Å; H519-D521 VanDerWaalsContact O-N 3.08Å; H519-A522 PolarHBondContact O-N 2.92Å
520F44.3Very low39.6Very low22 Ų2281.2 Ų81.210%0.09644%0.444CS..THydrogen-bonded Turntrans-53.1-26.3174.4-149.1-64.5000112.7M212 I241 W245 V251 F256 P518 A522 L523 F524M212-F520 HydrophobicContact CE-CD2 3.42Å; M212-F520 VanDerWaalsContact CE-CD2 3.42Å; M212-F520 HydrophobicContact CE-CE2 3.54Å; M212-F520 HydrophobicContact CE-CG 4.49Å; I241-F520 HydrophobicContact CG2-CE2 4.3Å; I241-F520 HydrophobicContact CG2-CZ 3.91Å; W245-F520 HydrophobicContact CB-CD1 4.16Å; W245-F520 HydrophobicContact CB-CE1 3.62Å; W245-F520 HydrophobicContact CB-CZ 4.36Å; W245-F520 AromaticContact CD1-CD1 3.34Å; W245-F520 AromaticContact CD1-CE1 3.53Å; W245-F520 HydrophobicContact CD2-CE1 4.41Å; W245-F520 AromaticContact CG-CD1 3.84Å; W245-F520 HydrophobicContact CG-CD1 3.84Å; W245-F520 AromaticContact CG-CE1 3.52Å; W245-F520 HydrophobicContact CG-CE1 3.52Å; V251-F520 HydrophobicContact CB-CB 3.96Å; V251-F520 HydrophobicContact CG1-CB 4.13Å; V251-F520 HydrophobicContact CG1-CD2 4.46Å; V251-F520 HydrophobicContact CG1-CG 4.4Å; V251-F520 HydrophobicContact CG2-CB 3.94Å; V251-F520 HydrophobicContact CG2-CD1 4.34Å; V251-F520 HydrophobicContact CG2-CG 4.2Å; F256-F520 HydrophobicContact CD2-CE2 4.49Å; F256-F520 HydrophobicContact CE2-CE2 4.02Å; F256-F520 HydrophobicContact CZ-CE2 4.2Å; P518-F520 PolarHBondContact O-N 3Å; P518-F520 VanDerWaalsContact O-N 3.16Å; F520-A522 VanDerWaalsContact C-N 3.29Å; F520-A522 PolarHBondContact O-N 3.33Å; F520-A522 VanDerWaalsContact O-N 3.13Å; F520-L523 HydrophobicContact CD1-CD1 4.38Å; F520-L523 HydrophobicContact CE1-CD1 4.37Å; F520-L523 WeakPolarHBondContact O-CB 3.47Å; F520-L523 PolarHBondContact O-N 2.86Å; F520-F524 HydrophobicContact CE1-CD2 4.02Å; F520-F524 AromaticContact CE1-CE2 3.8Å; F520-F524 HydrophobicContact CE1-CE2 3.8Å; F520-F524 HydrophobicContact CZ-CE2 4.36Å
521D47.1Very low40.6Very low46 Ų4675.4 Ų75.425%0.24642%0.424CS..Hα-helixtrans-61-26.8-177.9-56.2-66.5000113.8H519 G525 R671H519-D521 IonicContact CE1-OD2 3.81Å; H519-D521 IonicContact CG-OD2 3.15Å; H519-D521 IonicContact ND1-OD2 2.63Å; H519-D521 PolarHBondContact ND1-OD2 3.29Å; H519-D521 PolarHBondContact O-N 3.33Å; H519-D521 VanDerWaalsContact O-N 3.08Å; D521-G525 WeakPolarHBondContact O-CA 3.35Å; D521-G525 PolarHBondContact O-N 3.03Å; D521-G525 VanDerWaalsContact O-N 3.1Å; D521-R671 IonicContact OD1-CZ 3.38Å; D521-R671 VanDerWaalsContact OD1-CZ 3.26Å; D521-R671 IonicContact OD1-NH1 2.66Å; D521-R671 PolarHBondContact OD1-NH1 2.88Å; D521-R671 IonicContact OD1-NH2 3.2Å; D521-R671 PolarHBondContact OD1-NH2 2.85Å
522A47.6Very low41.6Very low18 Ų1872.5 Ų72.515%0.14942%0.42CS..Hα-helixtrans-92.5-0.8179.300000114.2W205 H519 F520 F524 G525 P529W205-A522 WeakPolarHBondContact CZ2-O 3.22Å; H519-A522 PolarHBondContact O-N 2.92Å; F520-A522 VanDerWaalsContact C-N 3.29Å; F520-A522 PolarHBondContact O-N 3.33Å; F520-A522 VanDerWaalsContact O-N 3.13Å; A522-F524 VanDerWaalsContact C-N 3.34Å; A522-G525 VanDerWaalsContact O-O 3.04Å; A522-P529 HydrophobicContact CB-CG 4.19Å
523L42.4Very low42.4Very low28 Ų2876.3 Ų76.315%0.14743%0.428CS..Hα-helixtrans-75.1-32-179.8-165.5152.9000112.4S209 M212 L213 F520S209-L523 WeakPolarHBondContact O-CD1 3.49Å; M212-L523 HydrophobicContact CB-CD1 3.27Å; M212-L523 HydrophobicContact CG-CD1 4.44Å; L213-L523 HydrophobicContact CB-CD2 4.16Å; L213-L523 HydrophobicContact CD1-CD2 4.17Å; F520-L523 HydrophobicContact CD1-CD1 4.38Å; F520-L523 HydrophobicContact CE1-CD1 4.37Å; F520-L523 WeakPolarHBondContact O-CB 3.47Å; F520-L523 PolarHBondContact O-N 2.86Å
524F49.4Very low43.1Very low59.5 Ų59.577.3 Ų77.326%0.26142%0.423SS..Hα-helixtrans-111.4-11.3172.8-68.1-82.5000112.9W245 F520 A522 L526 L668W245-F524 HydrophobicContact CD2-CB 4.48Å; W245-F524 AromaticContact CD2-CD2 3.72Å; W245-F524 HydrophobicContact CD2-CD2 3.72Å; W245-F524 HydrophobicContact CD2-CE2 4.23Å; W245-F524 HydrophobicContact CD2-CG 4.27Å; W245-F524 AromaticContact CE2-CD2 3.65Å; W245-F524 AromaticContact CE2-CG 3.92Å; W245-F524 HydrophobicContact CE3-CD2 4.02Å; W245-F524 HydrophobicContact CE3-CE2 4.31Å; W245-F524 HydrophobicContact CE3-CG 4.33Å; W245-F524 HydrophobicContact CG-CD2 4.27Å; W245-F524 HydrophobicContact CH2-CB 3.51Å; W245-F524 HydrophobicContact CH2-CD1 4.34Å; W245-F524 HydrophobicContact CH2-CD2 4.27Å; W245-F524 AromaticContact CH2-CG 3.82Å; W245-F524 HydrophobicContact CH2-CG 3.82Å; W245-F524 HydrophobicContact CZ2-CB 3.14Å; W245-F524 AromaticContact CZ2-CD2 3.98Å; W245-F524 HydrophobicContact CZ2-CD2 3.98Å; W245-F524 AromaticContact CZ2-CG 3.73Å; W245-F524 HydrophobicContact CZ2-CG 3.73Å; W245-F524 HydrophobicContact CZ3-CB 4.29Å; W245-F524 HydrophobicContact CZ3-CD1 4.44Å; W245-F524 HydrophobicContact CZ3-CD2 4.27Å; W245-F524 HydrophobicContact CZ3-CG 4.1Å; W245-F524 AromaticContact NE1-CD2 4Å; F520-F524 HydrophobicContact CE1-CD2 4.02Å; F520-F524 AromaticContact CE1-CE2 3.8Å; F520-F524 HydrophobicContact CE1-CE2 3.8Å; F520-F524 HydrophobicContact CZ-CE2 4.36Å; A522-F524 VanDerWaalsContact C-N 3.34Å; F524-L526 PolarHBondContact O-N 3.24Å; F524-L526 VanDerWaalsContact O-N 3.1Å; F524-L668 HydrophobicContact CB-CD2 4.23Å
525G48.3Very low43.8Very low23.5 Ų23.580.7 Ų80.724%0.24243%0.425CS..SBendtrans-84.5101.517000000110D521 A522 T527D521-G525 WeakPolarHBondContact O-CA 3.35Å; D521-G525 PolarHBondContact O-N 3.03Å; D521-G525 VanDerWaalsContact O-N 3.1Å; A522-G525 VanDerWaalsContact O-O 3.04Å; G525-T527 CarbonylContact O-C 3.58Å; G525-T527 PolarHBondContact O-N 3.16Å
526L47.5Very low44.1Very low142.5 Ų142.578.7 Ų78.775%0.74642%0.423SS*.SBendtrans-60.96.5-178.1-67.3167.7000115.3F524 P528 H553F524-L526 PolarHBondContact O-N 3.24Å; F524-L526 VanDerWaalsContact O-N 3.1Å; L526-P528 VanDerWaalsContact O-CD 3.25Å; L526-P528 WeakPolarHBondContact O-CD 3.4Å; L526-H553 WeakPolarHBondContact CB-NE2 3.47Å; L526-H553 PolarHBondContact O-CE1 3.3Å
527T48Very low43.8Very low63.5 Ų63.586.4 Ų86.439%0.3944%0.441SS..SBendtrans-94.1102.6171.547.20000110.2G525 H553G525-T527 CarbonylContact O-C 3.58Å; G525-T527 PolarHBondContact O-N 3.16Å; T527-H553 VanDerWaalsContact CG2-CE1 3.48Å; T527-H553 WeakPolarHBondContact CG2-CE1 3.39Å
528P44.3Very low43.8Very low27 Ų2785.3 Ų85.318%0.17545%0.449CS..  trans-66.5148.517728.5-35.9000111.1W205 L526 F530 A531W205-P528 HydrophobicContact CD2-CB 4.36Å; W205-P528 HydrophobicContact CE3-CB 4.08Å; W205-P528 HydrophobicContact CH2-CB 3.66Å; W205-P528 HydrophobicContact CZ2-CB 3.94Å; W205-P528 HydrophobicContact CZ3-CB 3.73Å; L526-P528 VanDerWaalsContact O-CD 3.25Å; L526-P528 WeakPolarHBondContact O-CD 3.4Å; P528-F530 HydrophobicContact CB-CD1 3.74Å; P528-F530 HydrophobicContact CB-CE1 3.61Å; P528-F530 HydrophobicContact CB-CZ 4.41Å; P528-F530 HydrophobicContact CG-CD1 3.75Å; P528-F530 HydrophobicContact CG-CE1 3.22Å; P528-F530 HydrophobicContact CG-CE2 4.39Å; P528-F530 HydrophobicContact CG-CZ 3.65Å; P528-F530 PolarHBondContact O-N 3.29Å; P528-A531 WeakPolarHBondContact O-CB 3.31Å; P528-A531 PolarHBondContact O-N 2.86Å
529P45.2Very low43.5Very low42.5 Ų42.585.2 Ų85.228%0.27646%0.461SS..THydrogen-bonded Turntrans-56-28.4-172.7-29.435.7000115.6W205 A522 A531 T532 Y533W205-P529 VanDerWaalsContact CD1-CD 3.48Å; W205-P529 HydrophobicContact CG-CG 4.12Å; W205-P529 VanDerWaalsContact NE1-CD 3.33Å; A522-P529 HydrophobicContact CB-CG 4.19Å; P529-A531 PolarHBondContact O-N 3.22Å; P529-A531 VanDerWaalsContact O-N 3.16Å; P529-T532 WeakPolarHBondContact O-CB 3.46Å; P529-T532 PolarHBondContact O-N 2.87Å; P529-T532 PolarHBondContact O-OG1 3.24Å; P529-Y533 VanDerWaalsContact O-CD2 3.28Å; P529-Y533 WeakPolarHBondContact O-CD2 3.35Å; P529-Y533 PolarHBondContact O-N 3.06Å
530F46.7Very low43Very low84 Ų8486.4 Ų86.437%0.36847%0.471SS..Hα-helixtrans-60.9-29.3177.674.4-101.3000112.8W194 W202 P528 T532 Y533 M534W194-F530 HydrophobicContact CH2-CD1 4.35Å; W194-F530 AromaticContact CH2-CE1 3.85Å; W194-F530 HydrophobicContact CH2-CE1 3.85Å; W194-F530 HydrophobicContact CH2-CE2 4.3Å; W194-F530 AromaticContact CH2-CZ 3.83Å; W194-F530 HydrophobicContact CH2-CZ 3.83Å; W194-F530 HydrophobicContact CZ2-CE1 4.29Å; W194-F530 AromaticContact CZ2-CE2 3.93Å; W194-F530 HydrophobicContact CZ2-CE2 3.93Å; W194-F530 AromaticContact CZ2-CZ 3.81Å; W194-F530 HydrophobicContact CZ2-CZ 3.81Å; W202-F530 AromaticContact CD1-CD1 3.82Å; W202-F530 AromaticContact CD1-CE1 3.56Å; P528-F530 HydrophobicContact CB-CD1 3.74Å; P528-F530 HydrophobicContact CB-CE1 3.61Å; P528-F530 HydrophobicContact CB-CZ 4.41Å; P528-F530 HydrophobicContact CG-CD1 3.75Å; P528-F530 HydrophobicContact CG-CE1 3.22Å; P528-F530 HydrophobicContact CG-CE2 4.39Å; P528-F530 HydrophobicContact CG-CZ 3.65Å; P528-F530 PolarHBondContact O-N 3.29Å; F530-T532 PolarHBondContact O-N 3.26Å; F530-T532 VanDerWaalsContact O-N 3.12Å; F530-Y533 PolarHBondContact O-N 3.44Å; F530-Y533 VanDerWaalsContact O-N 3.13Å; F530-M534 HydrophobicContact CD2-SD 4.38Å; F530-M534 VanDerWaalsContact O-CB 3.26Å; F530-M534 WeakPolarHBondContact O-CB 3.26Å; F530-M534 PolarHBondContact O-N 3.25Å
531A47.3Very low42.6Very low38 Ų3893.6 Ų93.631%0.31451%0.511SS..Hα-helixtrans-66.8-17.117600000113.2P528 P529P528-A531 WeakPolarHBondContact O-CB 3.31Å; P528-A531 PolarHBondContact O-N 2.86Å; P529-A531 PolarHBondContact O-N 3.22Å; P529-A531 VanDerWaalsContact O-N 3.16Å
532T48.3Very low42.4Very low109 Ų10997.4 Ų97.467%0.66954%0.535SS*.Hα-helixtrans-94.3-24.11744.40000113P529 F530P529-T532 WeakPolarHBondContact O-CB 3.46Å; P529-T532 PolarHBondContact O-N 2.87Å; P529-T532 PolarHBondContact O-OG1 3.24Å; F530-T532 PolarHBondContact O-N 3.26Å; F530-T532 VanDerWaalsContact O-N 3.12Å
533Y44.6Very low42.1Very low180 Ų180102.3 Ų102.371%0.70656%0.564SS**Hα-helixtrans-98.5-22.6-179.8-73.1-74.9000114.5P529 F530 Y535 G536P529-Y533 VanDerWaalsContact O-CD2 3.28Å; P529-Y533 WeakPolarHBondContact O-CD2 3.35Å; P529-Y533 PolarHBondContact O-N 3.06Å; F530-Y533 PolarHBondContact O-N 3.44Å; F530-Y533 VanDerWaalsContact O-N 3.13Å; Y533-Y535 PolarHBondContact O-N 3.24Å; Y533-Y535 VanDerWaalsContact O-N 3.13Å; Y533-G536 PolarHBondContact O-N 2.87Å
534M41.5Very low42.5Very low121 Ų121106.4 Ų106.460%0.59659%0.59SS**THydrogen-bonded Turntrans-70-12.9-174-172.8169.1-176.700114.7F530F530-M534 HydrophobicContact CD2-SD 4.38Å; F530-M534 VanDerWaalsContact O-CB 3.26Å; F530-M534 WeakPolarHBondContact O-CB 3.26Å; F530-M534 PolarHBondContact O-N 3.25Å
535Y43.2Very low42.7Very low170 Ų170106.9 Ų106.967%0.66759%0.593SS**THydrogen-bonded Turntrans-127.131-175.4-61.7-79.2000112.8Y533 L550Y533-Y535 PolarHBondContact O-N 3.24Å; Y533-Y535 VanDerWaalsContact O-N 3.13Å; Y535-L550 HydrophobicContact CE2-CD2 4.41Å
536G35.6Very low43.2Very low58.5 Ų58.5108.6 Ų108.660%0.60359%0.592SS**SBendtrans-129.367.6-176.900000114.6Y533Y533-G536 PolarHBondContact O-N 2.87Å
537W28.6Very low43.9Very low257 Ų257105.1 Ų105.197%0.97358%0.578SS**SBendtrans138.777.9176.6-153.9-34.2000114.3
538S33.9Very low44.7Very low112.5 Ų112.5105.9 Ų105.979%0.78758%0.576SS**  trans-148.1128148.7-172.60000108.1N540S538-N540 PolarHBondContact O-N 3.24Å
539G33.2Very low45.9Very low71 Ų71111.1 Ų111.173%0.73260%0.602SS**  trans-83.253.3-169.600000113.8
540N36.6Very low46.6Very low141.5 Ų141.5111.9 Ų111.976%0.75760%0.604SS**SBendtrans-146128.3168.5-79.1-16.6000111.6S538 V542S538-N540 PolarHBondContact O-N 3.24Å; N540-V542 VanDerWaalsContact C-N 3.33Å; N540-V542 PolarHBondContact O-N 3.18Å; N540-V542 VanDerWaalsContact O-N 3.1Å
541N36.4Very low47.5Very low173.5 Ų173.5108 Ų10893%0.92859%0.587SS**  trans-14.963.2175.5-66-19.4000117.5
542V41.7Very low48.5Very low124 Ų124109.8 Ų109.875%0.75259%0.591SS**  trans-101128.6169.1-177.80000110.2N540 T544N540-V542 VanDerWaalsContact C-N 3.33Å; N540-V542 PolarHBondContact O-N 3.18Å; N540-V542 VanDerWaalsContact O-N 3.1Å; V542-T544 PolarHBondContact O-N 2.91Å; V542-T544 VanDerWaalsContact O-N 3.12Å
543T42.1Very low49.4Very low122.5 Ų122.5107.5 Ų107.575%0.75257%0.572SS**  trans-64.5124.9-174.947.30000113.2E545T543-E545 PolarHBondContact O-N 3.21Å
544T49.7Very low50.5Low112.5 Ų112.5103.8 Ų103.869%0.6956%0.557SS**  trans-79.342.7-174.158.60000114.7V542V542-T544 PolarHBondContact O-N 2.91Å; V542-T544 VanDerWaalsContact O-N 3.12Å
545E54.9Low51.9Low71 Ų7199.3 Ų99.333%0.33254%0.538SS..PPolyproline II helixtrans-77.7136.2170.4-70.3-151.8153.100111.2T543 N764 N765T543-E545 PolarHBondContact O-N 3.21Å; E545-N764 PolarHBondContact OE2-ND2 3Å; E545-N765 PolarHBondContact OE1-N 3.25Å; E545-N765 PolarHBondContact OE1-ND2 3.11Å
546R57.3Low53.2Low58.5 Ų58.594 Ų9422%0.22153%0.53CS..PPolyproline II helixtrans-69.7140.3170.1-66.6-178.9-177.8169.73.5110.3T761 N764R546-T761 VanDerWaalsContact CZ-OG1 3.23Å; R546-T761 PolarHBondContact NE-OG1 3.4Å; R546-T761 PolarHBondContact NH2-OG1 2.9Å; R546-N764 WeakPolarHBondContact O-CB 3.43Å; R546-N764 PolarHBondContact O-ND2 3.09Å
547P63.4Low54.9Low70 Ų7094.3 Ų94.346%0.45552%0.517SS..PPolyproline II helixtrans-63.9139.8171.526.3-33000110.3L549 L550 S551P547-L549 VanDerWaalsContact C-N 3.28Å; P547-L549 PolarHBondContact O-N 3.23Å; P547-L549 VanDerWaalsContact O-N 3.1Å; P547-L550 HydrophobicContact CG-CB 3.95Å; P547-L550 HydrophobicContact CG-CD2 4.45Å; P547-L550 WeakPolarHBondContact O-CB 3.38Å; P547-L550 PolarHBondContact O-N 2.98Å; P547-S551 PolarHBondContact O-N 3.04Å
548F64.7Low57.1Low80.5 Ų80.587.1 Ų87.135%0.35349%0.492SS..Hα-helixtrans-48.4-43.3-171.7176-103000114.2L550 S551 L552 Y767F548-L550 VanDerWaalsContact C-N 3.3Å; F548-L550 PolarHBondContact O-N 3.22Å; F548-S551 PolarHBondContact O-N 3.03Å; F548-L552 HydrophobicContact CD1-CD1 3.92Å; F548-L552 HydrophobicContact CD1-CG 4.46Å; F548-L552 HydrophobicContact CE1-CD1 3.64Å; F548-L552 VanDerWaalsContact CE1-CD1 3.4Å; F548-L552 HydrophobicContact CE1-CG 4.14Å; F548-L552 HydrophobicContact CE2-CD1 4.48Å; F548-L552 HydrophobicContact CE2-CG 4.42Å; F548-L552 HydrophobicContact CZ-CD1 3.95Å; F548-L552 HydrophobicContact CZ-CD2 4.36Å; F548-L552 HydrophobicContact CZ-CG 4.11Å; F548-L552 WeakPolarHBondContact O-CB 3.44Å; F548-L552 PolarHBondContact O-N 2.95Å; F548-Y767 HydrophobicContact CD2-CD2 4.28Å; F548-Y767 HydrophobicContact CE2-CD2 4.1Å
549L68Low59.3Low135 Ų13585 Ų8571%0.70747%0.472SS*.Hα-helixtrans-62.5-32.8178.3-64.9177.1000113.3P547 H553P547-L549 VanDerWaalsContact C-N 3.28Å; P547-L549 PolarHBondContact O-N 3.23Å; P547-L549 VanDerWaalsContact O-N 3.1Å; L549-H553 VanDerWaalsContact O-CB 3.29Å; L549-H553 WeakPolarHBondContact O-CB 3.38Å; L549-H553 PolarHBondContact O-N 3.02Å
550L61.5Low61.7Low60 Ų6083.3 Ų83.331%0.31445%0.449SS..Hα-helixtrans-75.2-37.7178-173.563.4000111.5Y535 P547 F548 L552 H553 Y554Y535-L550 HydrophobicContact CE2-CD2 4.41Å; P547-L550 HydrophobicContact CG-CB 3.95Å; P547-L550 HydrophobicContact CG-CD2 4.45Å; P547-L550 WeakPolarHBondContact O-CB 3.38Å; P547-L550 PolarHBondContact O-N 2.98Å; F548-L550 VanDerWaalsContact C-N 3.3Å; F548-L550 PolarHBondContact O-N 3.22Å; L550-L552 VanDerWaalsContact C-N 3.34Å; L550-H553 PolarHBondContact O-N 3.13Å; L550-Y554 VanDerWaalsContact O-CB 3.29Å; L550-Y554 WeakPolarHBondContact O-CB 3.33Å; L550-Y554 PolarHBondContact O-N 3.3Å
551S64.9Low64.1Low2.5 Ų2.577.1 Ų77.12%0.01742%0.415CS..Hα-helixtrans-65.1-39.8171.1-68.80000111.7P547 F548 Y554 S555 D763P547-S551 PolarHBondContact O-N 3.04Å; F548-S551 PolarHBondContact O-N 3.03Å; S551-Y554 PolarHBondContact O-N 3.05Å; S551-S555 WeakPolarHBondContact O-CB 3.35Å; S551-S555 PolarHBondContact O-N 3.15Å; S551-D763 WeakPolarHBondContact CB-OD1 3.47Å; S551-D763 PolarHBondContact OG-OD1 3.41Å
552L69.3Low66.5Low75.5 Ų75.571.8 Ų71.840%0.39539%0.386SS..Hα-helixtrans-62.6-47.9172.8-120.3171.7000111.7F548 L550 Y554 S555 A556 Y767F548-L552 HydrophobicContact CD1-CD1 3.92Å; F548-L552 HydrophobicContact CD1-CG 4.46Å; F548-L552 HydrophobicContact CE1-CD1 3.64Å; F548-L552 VanDerWaalsContact CE1-CD1 3.4Å; F548-L552 HydrophobicContact CE1-CG 4.14Å; F548-L552 HydrophobicContact CE2-CD1 4.48Å; F548-L552 HydrophobicContact CE2-CG 4.42Å; F548-L552 HydrophobicContact CZ-CD1 3.95Å; F548-L552 HydrophobicContact CZ-CD2 4.36Å; F548-L552 HydrophobicContact CZ-CG 4.11Å; F548-L552 WeakPolarHBondContact O-CB 3.44Å; F548-L552 PolarHBondContact O-N 2.95Å; L550-L552 VanDerWaalsContact C-N 3.34Å; L552-Y554 PolarHBondContact O-N 3.27Å; L552-S555 WeakPolarHBondContact O-CB 3.4Å; L552-S555 PolarHBondContact O-N 3.15Å; L552-S555 VanDerWaalsContact O-N 3.14Å; L552-A556 PolarHBondContact O-N 3.22Å; L552-Y767 HydrophobicContact CD2-CE2 4.13Å
553H66.6Low68.6Low60 Ų6070.2 Ų70.228%0.27837%0.373SS..Hα-helixtrans-61.2-41.7177.6-178.7-113.7000112.4L526 T527 L549 L550 S555 A556 I557L526-H553 WeakPolarHBondContact CB-NE2 3.47Å; L526-H553 PolarHBondContact O-CE1 3.3Å; T527-H553 VanDerWaalsContact CG2-CE1 3.48Å; T527-H553 WeakPolarHBondContact CG2-CE1 3.39Å; L549-H553 VanDerWaalsContact O-CB 3.29Å; L549-H553 WeakPolarHBondContact O-CB 3.38Å; L549-H553 PolarHBondContact O-N 3.02Å; L550-H553 PolarHBondContact O-N 3.13Å; H553-S555 VanDerWaalsContact C-N 3.34Å; H553-S555 PolarHBondContact O-N 2.99Å; H553-A556 WeakPolarHBondContact O-CB 3.39Å; H553-A556 PolarHBondContact O-N 3.42Å; H553-I557 VanDerWaalsContact CE1-CD1 3.43Å; H553-I557 WeakPolarHBondContact CE1-CD1 3.45Å; H553-I557 WeakPolarHBondContact O-CG1 3.43Å; H553-I557 PolarHBondContact O-N 3.14Å
554Y67.4Low70.9Confident102 Ų10264.5 Ų64.540%0.434%0.338SS..Hα-helixtrans-62.9-39.9173.3180-108000112.2L550 S551 L552 I557 K558L550-Y554 VanDerWaalsContact O-CB 3.29Å; L550-Y554 WeakPolarHBondContact O-CB 3.33Å; L550-Y554 PolarHBondContact O-N 3.3Å; S551-Y554 PolarHBondContact O-N 3.05Å; L552-Y554 PolarHBondContact O-N 3.27Å; Y554-I557 PolarHBondContact O-N 3.31Å; Y554-K558 VanDerWaalsContact O-CB 3.32Å; Y554-K558 WeakPolarHBondContact O-CB 3.25Å; Y554-K558 PolarHBondContact O-N 3.38Å
555S70.1Confident72.8Confident28 Ų2859.1 Ų59.120%0.19631%0.305CS..Hα-helixtrans-64.2-39.2174.3-160.90000112.1S551 L552 H553 K558 N559 Y767S551-S555 WeakPolarHBondContact O-CB 3.35Å; S551-S555 PolarHBondContact O-N 3.15Å; L552-S555 WeakPolarHBondContact O-CB 3.4Å; L552-S555 PolarHBondContact O-N 3.15Å; L552-S555 VanDerWaalsContact O-N 3.14Å; H553-S555 VanDerWaalsContact C-N 3.34Å; H553-S555 PolarHBondContact O-N 2.99Å; S555-K558 PolarHBondContact O-N 2.94Å; S555-N559 WeakPolarHBondContact O-CB 3.31Å; S555-N559 PolarHBondContact O-N 3.34Å; S555-N559 VanDerWaalsContact O-N 3.12Å; S555-N559 PolarHBondContact O-ND2 3.14Å; S555-Y767 PolarHBondContact OG-OH 3.27Å
556A71.3Confident74.3Confident58 Ų5860 Ų6048%0.47931%0.311SS..Hα-helixtrans-63.4-47.7174.400000112.1L552 H553 K558 N559 S560L552-A556 PolarHBondContact O-N 3.22Å; H553-A556 WeakPolarHBondContact O-CB 3.39Å; H553-A556 PolarHBondContact O-N 3.42Å; A556-K558 VanDerWaalsContact C-N 3.34Å; A556-K558 PolarHBondContact O-N 3.15Å; A556-N559 CarbonylContact O-C 3.58Å; A556-N559 PolarHBondContact O-N 3.36Å; A556-N559 VanDerWaalsContact O-N 3.15Å; A556-S560 PolarHBondContact O-N 3.16Å; A556-S560 VanDerWaalsContact O-N 3.08Å
557I71.8Confident75.9Confident65 Ų6557.5 Ų57.533%0.33330%0.302SS..Hα-helixtrans-58.8-45.4173.5-69.2170.3000110.7H553 Y554 N559 S560 L672H553-I557 VanDerWaalsContact CE1-CD1 3.43Å; H553-I557 WeakPolarHBondContact CE1-CD1 3.45Å; H553-I557 WeakPolarHBondContact O-CG1 3.43Å; H553-I557 PolarHBondContact O-N 3.14Å; Y554-I557 PolarHBondContact O-N 3.31Å; I557-N559 PolarHBondContact O-N 2.86Å; I557-N559 VanDerWaalsContact O-N 3.13Å; I557-S560 WeakPolarHBondContact O-CB 3.25Å; I557-S560 PolarHBondContact O-N 3.39Å; I557-S560 VanDerWaalsContact O-N 3.15Å; I557-S560 PolarHBondContact O-OG 3.05Å; I557-L672 HydrophobicContact CG2-CD1 4.25Å; I557-L672 WeakPolarHBondContact O-CD2 3.4Å
558K73.3Confident77.1Confident105.5 Ų105.554.1 Ų54.146%0.45928%0.281SS..Hα-helixtrans-58.4-28.6179.2-172.1-178.9178.8-176.50112.5Y554 S555 A556 R597Y554-K558 VanDerWaalsContact O-CB 3.32Å; Y554-K558 WeakPolarHBondContact O-CB 3.25Å; Y554-K558 PolarHBondContact O-N 3.38Å; S555-K558 PolarHBondContact O-N 2.94Å; A556-K558 VanDerWaalsContact C-N 3.34Å; A556-K558 PolarHBondContact O-N 3.15Å; K558-R597 VanDerWaalsContact O-CZ 3.26Å; K558-R597 PolarHBondContact O-NE 3.06Å; K558-R597 PolarHBondContact O-NH2 3.21Å
559N80.2Confident78.1Confident69 Ų6950.9 Ų50.937%0.36927%0.267SS..THydrogen-bonded Turntrans-103.96-177.6-64-26.6000114S555 A556 I557 Y561 I562S555-N559 WeakPolarHBondContact O-CB 3.31Å; S555-N559 PolarHBondContact O-N 3.34Å; S555-N559 VanDerWaalsContact O-N 3.12Å; S555-N559 PolarHBondContact O-ND2 3.14Å; A556-N559 CarbonylContact O-C 3.58Å; A556-N559 PolarHBondContact O-N 3.36Å; A556-N559 VanDerWaalsContact O-N 3.15Å; I557-N559 PolarHBondContact O-N 2.86Å; I557-N559 VanDerWaalsContact O-N 3.13Å; N559-Y561 PolarHBondContact O-N 3.2Å; N559-I562 HydrophobicContact CB-CD1 4.41Å; N559-I562 WeakPolarHBondContact O-CG1 3.32Å; N559-I562 PolarHBondContact O-N 3.46Å; N559-I562 VanDerWaalsContact O-N 3.1Å
560S83.8Confident79Confident34 Ų3445.5 Ų45.524%0.23824%0.241CC..THydrogen-bonded Turntrans-59.6-21.2-175.272.50000114.5A556 I557 I562 L563A556-S560 PolarHBondContact O-N 3.16Å; A556-S560 VanDerWaalsContact O-N 3.08Å; I557-S560 WeakPolarHBondContact O-CB 3.25Å; I557-S560 PolarHBondContact O-N 3.39Å; I557-S560 VanDerWaalsContact O-N 3.15Å; I557-S560 PolarHBondContact O-OG 3.05Å; S560-I562 PolarHBondContact O-N 2.96Å; S560-I562 VanDerWaalsContact O-N 3.1Å; S560-L563 VanDerWaalsContact O-CB 3.29Å; S560-L563 WeakPolarHBondContact O-CB 3.45Å; S560-L563 PolarHBondContact O-N 3.2Å
561Y87.8Confident80.4Confident11.5 Ų11.542.7 Ų42.75%0.04523%0.227CC..Hα-helixtrans-56.5-24.5175.183-83.8000113.3N559 L563 T564 L565 R597 C600N559-Y561 PolarHBondContact O-N 3.2Å; Y561-L563 VanDerWaalsContact C-N 3.28Å; Y561-L563 PolarHBondContact O-N 3.37Å; Y561-T564 VanDerWaalsContact O-CB 3.3Å; Y561-T564 WeakPolarHBondContact O-CB 3.26Å; Y561-T564 PolarHBondContact O-N 3.15Å; Y561-T564 VanDerWaalsContact O-N 3.12Å; Y561-L565 HydrophobicContact CD2-CD1 4.01Å; Y561-L565 HydrophobicContact CD2-CG 4.46Å; Y561-L565 HydrophobicContact CE2-CD1 3.91Å; Y561-L565 PolarHBondContact O-N 3.42Å; Y561-L565 VanDerWaalsContact O-N 3.08Å; Y561-R597 HydrophobicContact CD1-CB 4.02Å; Y561-R597 HydrophobicContact CD1-CG 3.63Å; Y561-R597 HydrophobicContact CD2-CB 4.33Å; Y561-R597 HydrophobicContact CE1-CB 3.64Å; Y561-R597 HydrophobicContact CE1-CG 3.65Å; Y561-R597 HydrophobicContact CE2-CB 3.99Å; Y561-R597 HydrophobicContact CG-CB 4.34Å; Y561-R597 HydrophobicContact CG-CG 4.13Å; Y561-C600 HydrophobicContact CD2-CB 4.12Å
562I86.5Confident81.4Confident62 Ų6242.6 Ų42.632%0.31823%0.226SC..Hα-helixtrans-64.2-36.3174.9-60.9173.5000110.4N559 S560 T564 L565 I566 W591N559-I562 HydrophobicContact CB-CD1 4.41Å; N559-I562 WeakPolarHBondContact O-CG1 3.32Å; N559-I562 PolarHBondContact O-N 3.46Å; N559-I562 VanDerWaalsContact O-N 3.1Å; S560-I562 PolarHBondContact O-N 2.96Å; S560-I562 VanDerWaalsContact O-N 3.1Å; I562-T564 VanDerWaalsContact C-N 3.32Å; I562-T564 PolarHBondContact O-N 3.1Å; I562-L565 PolarHBondContact O-N 3.23Å; I562-I566 HydrophobicContact CG2-CD1 3.97Å; I562-I566 WeakPolarHBondContact O-CG1 3.29Å; I562-I566 PolarHBondContact O-N 3.25Å; I562-W591 HydrophobicContact CG2-CH2 4.11Å
563L86.6Confident82Confident91 Ų9139.6 Ų39.648%0.47621%0.211SC..Hα-helixtrans-65.9-34.6174.3-174.163.5000111.6S560 Y561 I566 A567 C665S560-L563 VanDerWaalsContact O-CB 3.29Å; S560-L563 WeakPolarHBondContact O-CB 3.45Å; S560-L563 PolarHBondContact O-N 3.2Å; Y561-L563 VanDerWaalsContact C-N 3.28Å; Y561-L563 PolarHBondContact O-N 3.37Å; L563-I566 PolarHBondContact O-N 3.31Å; L563-A567 WeakPolarHBondContact O-CB 3.23Å; L563-A567 PolarHBondContact O-N 2.82Å; L563-C665 HydrophobicContact CG-CB 4.37Å
564T89.9Confident82.8Confident2 Ų239.6 Ų39.61%0.01222%0.215CC..Hα-helixtrans-63.8-44.1171.5-55.70000111.8Y561 I562 A567 M568 C665 F666 T669Y561-T564 VanDerWaalsContact O-CB 3.3Å; Y561-T564 WeakPolarHBondContact O-CB 3.26Å; Y561-T564 PolarHBondContact O-N 3.15Å; Y561-T564 VanDerWaalsContact O-N 3.12Å; I562-T564 VanDerWaalsContact C-N 3.32Å; I562-T564 PolarHBondContact O-N 3.1Å; T564-A567 PolarHBondContact O-N 3.26Å; T564-M568 HydrophobicContact CG2-CE 4.3Å; T564-M568 WeakPolarHBondContact O-CG 3.43Å; T564-M568 PolarHBondContact O-N 3.27Å; T564-C665 PolarHBondContact OG1-O 2.96Å; T564-F666 HydrophobicContact CG2-CD1 3.66Å; T564-F666 HydrophobicContact CG2-CE1 4.17Å; T564-T669 HydrophobicContact CG2-CG2 4.49Å; T564-T669 VanDerWaalsContact OG1-CB 3.24Å; T564-T669 WeakPolarHBondContact OG1-CB 3.4Å; T564-T669 PolarHBondContact OG1-OG1 3.17Å
565L89.1Confident83.6Confident0 Ų036.7 Ų36.70%020%0.204CC..Hα-helixtrans-61.4-45.5176-65176.1000111.4Y561 I562 M568 M569 L590 W591 C600Y561-L565 HydrophobicContact CD2-CD1 4.01Å; Y561-L565 HydrophobicContact CD2-CG 4.46Å; Y561-L565 HydrophobicContact CE2-CD1 3.91Å; Y561-L565 PolarHBondContact O-N 3.42Å; Y561-L565 VanDerWaalsContact O-N 3.08Å; I562-L565 PolarHBondContact O-N 3.23Å; L565-M568 HydrophobicContact CD2-CE 3.73Å; L565-M568 PolarHBondContact O-N 3.23Å; L565-M569 WeakPolarHBondContact O-CG 3.27Å; L565-M569 PolarHBondContact O-N 3Å; L565-L590 HydrophobicContact CD2-CB 3.66Å; L565-L590 HydrophobicContact CD2-CD1 4.09Å; L565-W591 HydrophobicContact CB-CZ2 3.97Å; L565-W591 HydrophobicContact CD1-CD2 4Å; L565-W591 HydrophobicContact CD1-CE3 4.3Å; L565-W591 HydrophobicContact CD1-CG 4.39Å; L565-W591 HydrophobicContact CD1-CH2 4.36Å; L565-W591 HydrophobicContact CD1-CZ2 4.05Å; L565-W591 HydrophobicContact CD1-CZ3 4.39Å; L565-C600 HydrophobicContact CD2-CB 4.37Å
566I87.1Confident84.3Confident91 Ų9139.6 Ų39.647%0.46721%0.21SC..Hα-helixtrans-63.5-44.3176.4-66.8166.7000111I562 L563 M568 M569 A570I562-I566 HydrophobicContact CG2-CD1 3.97Å; I562-I566 WeakPolarHBondContact O-CG1 3.29Å; I562-I566 PolarHBondContact O-N 3.25Å; L563-I566 PolarHBondContact O-N 3.31Å; I566-M568 PolarHBondContact O-N 3.38Å; I566-M569 PolarHBondContact O-N 3.3Å; I566-A570 WeakPolarHBondContact O-CB 3.23Å; I566-A570 PolarHBondContact O-N 3.23Å
567A89.6Confident85Confident4.5 Ų4.537.1 Ų37.14%0.03719%0.189CC..Hα-helixtrans-64.9-35.3-179.700000113.1L563 T564 A570 W571 F662 C665 F666L563-A567 WeakPolarHBondContact O-CB 3.23Å; L563-A567 PolarHBondContact O-N 2.82Å; T564-A567 PolarHBondContact O-N 3.26Å; A567-A570 PolarHBondContact O-N 2.9Å; A567-W571 WeakPolarHBondContact O-CB 3.31Å; A567-W571 PolarHBondContact O-N 3Å; A567-F662 HydrophobicContact CB-CB 4.45Å; A567-F662 HydrophobicContact CB-CD1 4.01Å; A567-C665 HydrophobicContact CB-CB 3.96Å; A567-F666 HydrophobicContact CB-CE1 3.79Å; A567-F666 HydrophobicContact CB-CZ 4.47Å
568M89.9Confident85.8Confident0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-64.7-39.4172.3-72.9-173.8-6700112.4T564 L565 I566 A572 L583 A587 L590 I607 F666T564-M568 HydrophobicContact CG2-CE 4.3Å; T564-M568 WeakPolarHBondContact O-CG 3.43Å; T564-M568 PolarHBondContact O-N 3.27Å; L565-M568 HydrophobicContact CD2-CE 3.73Å; L565-M568 PolarHBondContact O-N 3.23Å; I566-M568 PolarHBondContact O-N 3.38Å; M568-A572 PolarHBondContact O-N 3.09Å; M568-L583 HydrophobicContact CB-CB 4.46Å; M568-L583 HydrophobicContact CG-CD2 4.22Å; M568-L583 HydrophobicContact SD-CD2 4.4Å; M568-A587 HydrophobicContact CB-CB 3.98Å; M568-A587 HydrophobicContact CE-CB 4.12Å; M568-L590 HydrophobicContact CE-CD1 3.88Å; M568-I607 HydrophobicContact CE-CD1 4.04Å; M568-I607 HydrophobicContact CG-CG2 4.22Å; M568-I607 HydrophobicContact SD-CB 4.47Å; M568-I607 HydrophobicContact SD-CD1 3.67Å; M568-I607 HydrophobicContact SD-CG1 3.93Å; M568-I607 HydrophobicContact SD-CG2 3.67Å; M568-F666 HydrophobicContact CB-CE1 4.48Å; M568-F666 HydrophobicContact CB-CZ 4.4Å; M568-F666 HydrophobicContact CG-CD1 4.47Å; M568-F666 HydrophobicContact CG-CE1 3.53Å; M568-F666 HydrophobicContact CG-CE2 4.45Å; M568-F666 HydrophobicContact CG-CZ 3.51Å
569M84.9Confident86.6Confident12 Ų1236 Ų366%0.05918%0.181CC..Hα-helixtrans-70.8-42.1176.5-61.2178.580.300111.3L565 I566 A572 V573 L584 A587 W591 L843 V890L565-M569 WeakPolarHBondContact O-CG 3.27Å; L565-M569 PolarHBondContact O-N 3Å; I566-M569 PolarHBondContact O-N 3.3Å; M569-A572 PolarHBondContact O-N 3.13Å; M569-V573 WeakPolarHBondContact O-CG2 3.36Å; M569-V573 PolarHBondContact O-N 3.06Å; M569-V573 VanDerWaalsContact O-N 3.14Å; M569-L584 HydrophobicContact CB-CD1 4.32Å; M569-L584 HydrophobicContact CE-CD1 4.36Å; M569-L584 HydrophobicContact CG-CD1 4.31Å; M569-A587 HydrophobicContact CG-CB 3.51Å; M569-A587 VanDerWaalsContact CG-CB 3.49Å; M569-A587 HydrophobicContact SD-CB 4.25Å; M569-W591 PolarHBondContact SD-NE1 3.2Å; M569-W591 VanDerWaalsContact SD-NE1 3.45Å; M569-L843 HydrophobicContact CE-CD1 4.38Å; M569-V890 HydrophobicContact CE-CB 4.29Å; M569-V890 HydrophobicContact CE-CG1 3.71Å; M569-V890 HydrophobicContact CE-CG2 3.58Å; M569-V890 HydrophobicContact SD-CG1 4.24Å
570A86.6Confident86.9Confident21.5 Ų21.532.8 Ų32.818%0.17816%0.164CC..Hα-helixtrans-63.8-43.8177.800000112.3I566 A567 A572 V573 V574 F662I566-A570 WeakPolarHBondContact O-CB 3.23Å; I566-A570 PolarHBondContact O-N 3.23Å; A567-A570 PolarHBondContact O-N 2.9Å; A570-A572 VanDerWaalsContact C-N 3.27Å; A570-A572 PolarHBondContact O-N 3.02Å; A570-V573 PolarHBondContact O-N 3.08Å; A570-V574 WeakPolarHBondContact O-CG2 3.35Å; A570-V574 PolarHBondContact O-N 3.41Å; A570-F662 HydrophobicContact CB-CE1 3.75Å; A570-F662 HydrophobicContact CB-CZ 3.91Å
571W90.9Very high87.2Confident2 Ų232.9 Ų32.91%0.00816%0.16CC..Hα-helixtrans-52.5-48.8172.9-171.8-46.2000110.7A567 V573 V574 Y575 L583 A611 L614 I615 Q659 F662 F666A567-W571 WeakPolarHBondContact O-CB 3.31Å; A567-W571 PolarHBondContact O-N 3Å; W571-V573 VanDerWaalsContact C-N 3.34Å; W571-V573 PolarHBondContact O-N 3.42Å; W571-V574 PolarHBondContact O-N 3.19Å; W571-Y575 AromaticContact CD1-CD2 3.87Å; W571-Y575 HydrophobicContact CG-CD2 4.45Å; W571-Y575 PolarHBondContact O-N 2.96Å; W571-L583 HydrophobicContact CB-CD1 4.09Å; W571-L583 HydrophobicContact CD2-CD1 3.78Å; W571-L583 HydrophobicContact CE3-CD1 4.31Å; W571-L583 HydrophobicContact CG-CD1 3.64Å; W571-A611 HydrophobicContact CH2-CB 3.84Å; W571-A611 HydrophobicContact CZ3-CB 3.85Å; W571-L614 HydrophobicContact CZ2-CB 3.95Å; W571-L614 HydrophobicContact CZ2-CD1 4.19Å; W571-I615 HydrophobicContact CH2-CD1 3.73Å; W571-I615 HydrophobicContact CH2-CG1 3.85Å; W571-I615 HydrophobicContact CZ2-CG1 4.24Å; W571-I615 HydrophobicContact CZ3-CD1 4.47Å; W571-Q659 HydrophobicContact CH2-CB 3.96Å; W571-Q659 HydrophobicContact CH2-CG 4.39Å; W571-Q659 HydrophobicContact CZ2-CB 3.94Å; W571-Q659 HydrophobicContact CZ2-CG 3.86Å; W571-Q659 HydrophobicContact CZ3-CB 4.42Å; W571-Q659 WeakPolarHBondContact CZ3-O 3.41Å; W571-F662 HydrophobicContact CB-CD2 3.84Å; W571-F662 HydrophobicContact CB-CE2 4.15Å; W571-F662 HydrophobicContact CB-CG 4.38Å; W571-F662 HydrophobicContact CD2-CB 4.44Å; W571-F662 HydrophobicContact CD2-CD2 4.11Å; W571-F662 HydrophobicContact CE3-CB 3.48Å; W571-F662 VanDerWaalsContact CE3-CB 3.48Å; W571-F662 AromaticContact CE3-CD2 3.95Å; W571-F662 HydrophobicContact CE3-CD2 3.95Å; W571-F662 HydrophobicContact CE3-CG 4.14Å; W571-F662 HydrophobicContact CG-CD2 4.11Å; W571-F662 HydrophobicContact CZ3-CB 3.94Å; W571-F666 AromaticContact CE3-CE2 3.77Å; W571-F666 HydrophobicContact CE3-CE2 3.77Å; W571-F666 AromaticContact CE3-CZ 3.98Å; W571-F666 HydrophobicContact CE3-CZ 4.01Å; W571-F666 HydrophobicContact CZ3-CD2 4.48Å; W571-F666 AromaticContact CZ3-CE2 3.75Å; W571-F666 HydrophobicContact CZ3-CE2 3.75Å; W571-F666 HydrophobicContact CZ3-CZ 4.42Å
572A87.6Confident87.4Confident0 Ų036.5 Ų36.50%018%0.179CC..Hα-helixtrans-66.7-35.7-17600000113.9M568 M569 A570 S580 L584 Y847M568-A572 PolarHBondContact O-N 3.09Å; M569-A572 PolarHBondContact O-N 3.13Å; A570-A572 VanDerWaalsContact C-N 3.27Å; A570-A572 PolarHBondContact O-N 3.02Å; A572-S580 VanDerWaalsContact CB-O 3.28Å; A572-S580 WeakPolarHBondContact CB-O 3.29Å; A572-L584 HydrophobicContact CB-CB 3.7Å; A572-L584 HydrophobicContact CB-CD1 4.35Å; A572-L584 HydrophobicContact CB-CG 4.43Å; A572-Y847 WeakPolarHBondContact O-CE2 3.34Å
573V82Confident87.6Confident13.5 Ų13.533.7 Ų33.78%0.08217%0.165CC..Hα-helixtrans-74.6-35.2177178.80000112.1M569 A570 W571 F883 L886M569-V573 WeakPolarHBondContact O-CG2 3.36Å; M569-V573 PolarHBondContact O-N 3.06Å; M569-V573 VanDerWaalsContact O-N 3.14Å; A570-V573 PolarHBondContact O-N 3.08Å; W571-V573 VanDerWaalsContact C-N 3.34Å; W571-V573 PolarHBondContact O-N 3.42Å; V573-F883 HydrophobicContact CB-CD2 4.49Å; V573-F883 HydrophobicContact CG1-CB 4.07Å; V573-F883 HydrophobicContact CG1-CD2 3.89Å; V573-F883 HydrophobicContact CG1-CG 4.47Å; V573-L886 HydrophobicContact CG1-CD1 4.14Å; V573-L886 HydrophobicContact CG2-CD1 3.71Å
574V83.5Confident87.7Confident59.5 Ų59.529.5 Ų29.536%0.36114%0.143SC..Hα-helixtrans-73.2-45.1177.5174.70000111.6A570 W571 L658 F662A570-V574 WeakPolarHBondContact O-CG2 3.35Å; A570-V574 PolarHBondContact O-N 3.41Å; W571-V574 PolarHBondContact O-N 3.19Å; V574-L658 HydrophobicContact CG1-CD2 3.96Å; V574-F662 HydrophobicContact CG2-CZ 4.48Å
575Y83Confident87.7Confident40.5 Ų40.532.5 Ų32.516%0.15916%0.158CC..SBendtrans-107.172-178.5-60.3-71.6000110.6W571 S577 S580 A655 L658 Q659 F662W571-Y575 AromaticContact CD1-CD2 3.87Å; W571-Y575 HydrophobicContact CG-CD2 4.45Å; W571-Y575 PolarHBondContact O-N 2.96Å; Y575-S577 PolarHBondContact O-N 2.78Å; Y575-S577 PolarHBondContact O-OG 3.42Å; Y575-S580 WeakPolarHBondContact O-CB 3.49Å; Y575-S580 PolarHBondContact O-OG 3.04Å; Y575-A655 HydrophobicContact CE1-CB 4.07Å; Y575-A655 WeakPolarHBondContact OH-CA 3.49Å; Y575-A655 PolarHBondContact OH-O 3.07Å; Y575-A655 VanDerWaalsContact OH-O 3.09Å; Y575-L658 WeakPolarHBondContact OH-CB 3.47Å; Y575-Q659 HydrophobicContact CD2-CG 3.84Å; Y575-Q659 HydrophobicContact CE1-CG 4.49Å; Y575-Q659 HydrophobicContact CE2-CG 3.4Å; Y575-Q659 VanDerWaalsContact CE2-CG 3.42Å; Y575-F662 HydrophobicContact CE2-CE2 4.33Å
576R84.6Confident87.7Confident89.5 Ų89.534 Ų3434%0.33817%0.169SC..  trans-53.5111.4178.1174.5169.368.390.7-18.4110.9E643 Q850 F851R576-E643 IonicContact NH1-OE1 2.69Å; R576-Q850 PolarHBondContact NH1-O 2.98Å; R576-Q850 PolarHBondContact NH2-O 3.15Å; R576-Q850 VanDerWaalsContact NH2-O 3.15Å; R576-F851 HydrophobicContact CG-CE1 4.33Å
577S87.2Confident87.8Confident5.5 Ų5.529.7 Ų29.74%0.03815%0.147CC..SBendtrans-162.2166.3173.667.30000112.6Y575 L579 S580 F581 E643 Y847Y575-S577 PolarHBondContact O-N 2.78Å; Y575-S577 PolarHBondContact O-OG 3.42Å; S577-L579 VanDerWaalsContact C-N 3.31Å; S577-L579 PolarHBondContact OG-N 3.24Å; S577-S580 PolarHBondContact O-N 3.38Å; S577-S580 VanDerWaalsContact OG-CB 3.23Å; S577-S580 WeakPolarHBondContact OG-CB 3.36Å; S577-S580 PolarHBondContact OG-N 3.25Å; S577-S580 PolarHBondContact OG-OG 3.35Å; S577-F581 WeakPolarHBondContact O-CB 3.4Å; S577-F581 PolarHBondContact O-N 3.2Å; S577-E643 CarbonylContact C-O 3.28Å; S577-E643 WeakPolarHBondContact CA-O 3.31Å; S577-Y847 PolarHBondContact N-OH 2.88Å; S577-Y847 VanDerWaalsContact N-OH 3.1Å; S577-Y847 PolarHBondContact O-OH 3.07Å
578W87.4Confident87.6Confident108.5 Ų108.529.5 Ų29.541%0.41115%0.146SC..Hα-helixtrans-68-26.9171.1-75.4105.3000113.6F581 E643 L644 T848 F851W578-F581 HydrophobicContact CE3-CD1 4.17Å; W578-F581 HydrophobicContact CE3-CG 4.43Å; W578-F581 HydrophobicContact CZ3-CD1 4.21Å; W578-F581 HydrophobicContact CZ3-CE1 4.31Å; W578-F581 WeakPolarHBondContact O-CB 3.34Å; W578-E643 PolarHBondContact N-O 3.15Å; W578-L644 HydrophobicContact CB-CD1 4.2Å; W578-T848 HydrophobicContact CH2-CG2 4.22Å; W578-F851 AromaticContact CD1-CE1 3.69Å; W578-F851 AromaticContact CD1-CZ 3.78Å; W578-F851 HydrophobicContact CD2-CE1 4.49Å; W578-F851 AromaticContact CD2-CE2 3.93Å; W578-F851 HydrophobicContact CD2-CE2 3.93Å; W578-F851 AromaticContact CD2-CZ 3.88Å; W578-F851 HydrophobicContact CD2-CZ 3.88Å; W578-F851 AromaticContact CE2-CD2 3.8Å; W578-F851 AromaticContact CE2-CE2 3.54Å; W578-F851 AromaticContact CE2-CZ 3.77Å; W578-F851 HydrophobicContact CE3-CE2 4.38Å; W578-F851 HydrophobicContact CG-CE1 4.24Å; W578-F851 HydrophobicContact CG-CE2 4.43Å; W578-F851 AromaticContact CG-CZ 3.9Å; W578-F851 HydrophobicContact CG-CZ 3.9Å; W578-F851 HydrophobicContact CH2-CD2 4.42Å; W578-F851 HydrophobicContact CH2-CE2 4.19Å; W578-F851 AromaticContact CZ2-CD2 3.69Å; W578-F851 HydrophobicContact CZ2-CD2 3.69Å; W578-F851 AromaticContact CZ2-CE2 3.69Å; W578-F851 HydrophobicContact CZ2-CE2 3.69Å; W578-F851 HydrophobicContact CZ2-CG 4.4Å; W578-F851 HydrophobicContact CZ2-CZ 4.39Å; W578-F851 HydrophobicContact CZ3-CE2 4.49Å; W578-F851 AromaticContact NE1-CD1 3.79Å; W578-F851 AromaticContact NE1-CD2 3.92Å; W578-F851 AromaticContact NE1-CE1 3.67Å; W578-F851 AromaticContact NE1-CE2 3.81Å; W578-F851 AromaticContact NE1-CG 3.93Å; W578-F851 AromaticContact NE1-CZ 3.68Å
579L89.6Confident87.5Confident38 Ų3833.9 Ų33.920%0.19917%0.168CC..Hα-helixtrans-70.5-48.1170.6-72.9171000111.2S577 F581 I582 Y610 L614 I617 L644S577-L579 VanDerWaalsContact C-N 3.31Å; S577-L579 PolarHBondContact OG-N 3.24Å; L579-F581 PolarHBondContact O-N 3.18Å; L579-I582 WeakPolarHBondContact O-CB 3.46Å; L579-I582 PolarHBondContact O-N 2.94Å; L579-I582 VanDerWaalsContact O-N 3.09Å; L579-Y610 WeakPolarHBondContact CD2-OH 3.41Å; L579-Y610 PolarHBondContact O-OH 3.32Å; L579-Y610 VanDerWaalsContact O-OH 3.06Å; L579-L614 HydrophobicContact CB-CD2 3.79Å; L579-L614 HydrophobicContact CD1-CD2 3.97Å; L579-L614 HydrophobicContact CD2-CD2 4.33Å; L579-L614 HydrophobicContact CG-CD2 4.25Å; L579-I617 HydrophobicContact CD1-CD1 4.25Å; L579-L644 WeakPolarHBondContact CB-O 3.23Å; L579-L644 VanDerWaalsContact CD1-O 3.32Å; L579-L644 WeakPolarHBondContact CD1-O 3.3Å; L579-L644 VanDerWaalsContact CG-O 3.23Å; L579-L644 WeakPolarHBondContact CG-O 3.41Å; L579-L644 PolarHBondContact N-O 3.17Å
580S88.4Confident87.7Confident3 Ų334.1 Ų34.12%0.02117%0.17CC..Hα-helixtrans-62.6-27.9176.2-64.10000113.5A572 Y575 S577 I582 L583 L584A572-S580 VanDerWaalsContact CB-O 3.28Å; A572-S580 WeakPolarHBondContact CB-O 3.29Å; Y575-S580 WeakPolarHBondContact O-CB 3.49Å; Y575-S580 PolarHBondContact O-OG 3.04Å; S577-S580 PolarHBondContact O-N 3.38Å; S577-S580 VanDerWaalsContact OG-CB 3.23Å; S577-S580 WeakPolarHBondContact OG-CB 3.36Å; S577-S580 PolarHBondContact OG-N 3.25Å; S577-S580 PolarHBondContact OG-OG 3.35Å; S580-I582 PolarHBondContact O-N 3.16Å; S580-L583 WeakPolarHBondContact O-CB 3.5Å; S580-L583 PolarHBondContact O-N 2.97Å; S580-L584 PolarHBondContact O-N 2.99Å; S580-L584 VanDerWaalsContact O-N 3.14Å
581F89.4Confident87.6Confident36 Ų3633.9 Ų33.916%0.15816%0.164CC..Hα-helixtrans-55.9-32.3172.8-179.2-109.2000112.6S577 W578 L579 L584 L585 L844 Y847 T848S577-F581 WeakPolarHBondContact O-CB 3.4Å; S577-F581 PolarHBondContact O-N 3.2Å; W578-F581 HydrophobicContact CE3-CD1 4.17Å; W578-F581 HydrophobicContact CE3-CG 4.43Å; W578-F581 HydrophobicContact CZ3-CD1 4.21Å; W578-F581 HydrophobicContact CZ3-CE1 4.31Å; W578-F581 WeakPolarHBondContact O-CB 3.34Å; L579-F581 PolarHBondContact O-N 3.18Å; F581-L584 PolarHBondContact O-N 3.39Å; F581-L585 WeakPolarHBondContact O-CB 3.34Å; F581-L585 PolarHBondContact O-N 3.22Å; F581-L844 HydrophobicContact CD2-CD2 4.47Å; F581-L844 HydrophobicContact CE2-CD2 3.52Å; F581-L844 HydrophobicContact CZ-CD2 3.87Å; F581-Y847 HydrophobicContact CB-CE1 3.85Å; F581-Y847 AromaticContact CD2-CD1 3.58Å; F581-Y847 HydrophobicContact CD2-CD1 3.58Å; F581-Y847 AromaticContact CD2-CE1 3.6Å; F581-Y847 HydrophobicContact CD2-CE1 3.6Å; F581-Y847 HydrophobicContact CE2-CD1 4.19Å; F581-Y847 HydrophobicContact CG-CE1 4.16Å; F581-T848 HydrophobicContact CD2-CG2 4.5Å; F581-T848 HydrophobicContact CE2-CG2 4.01Å; F581-T848 HydrophobicContact CZ-CG2 4.25Å
582I92.1Very high87.3Confident86.5 Ų86.536.3 Ų36.344%0.44418%0.176SC..Hα-helixtrans-67.7-37.1176.7-60.1177.7000110.8L579 S580 S586 Y610L579-I582 WeakPolarHBondContact O-CB 3.46Å; L579-I582 PolarHBondContact O-N 2.94Å; L579-I582 VanDerWaalsContact O-N 3.09Å; S580-I582 PolarHBondContact O-N 3.16Å; I582-S586 VanDerWaalsContact O-CB 3.23Å; I582-S586 WeakPolarHBondContact O-CB 3.39Å; I582-S586 PolarHBondContact O-N 3.13Å; I582-S586 PolarHBondContact O-OG 2.82Å; I582-Y610 HydrophobicContact CB-CE1 4.34Å; I582-Y610 HydrophobicContact CG2-CE1 4.37Å
583L91Very high87.2Confident3 Ų338.5 Ų38.52%0.01619%0.19CC..Hα-helixtrans-63.4-47171.8-70.8176.5000111.1M568 W571 S580 L585 S586 A587 Y610 L614M568-L583 HydrophobicContact CB-CB 4.46Å; M568-L583 HydrophobicContact CG-CD2 4.22Å; M568-L583 HydrophobicContact SD-CD2 4.4Å; W571-L583 HydrophobicContact CB-CD1 4.09Å; W571-L583 HydrophobicContact CD2-CD1 3.78Å; W571-L583 HydrophobicContact CE3-CD1 4.31Å; W571-L583 HydrophobicContact CG-CD1 3.64Å; S580-L583 WeakPolarHBondContact O-CB 3.5Å; S580-L583 PolarHBondContact O-N 2.97Å; L583-L585 PolarHBondContact O-N 3.03Å; L583-S586 PolarHBondContact O-N 3.34Å; L583-S586 PolarHBondContact O-OG 2.86Å; L583-A587 WeakPolarHBondContact O-CB 3.47Å; L583-A587 PolarHBondContact O-N 3.11Å; L583-Y610 HydrophobicContact CD2-CD1 3.87Å; L583-Y610 HydrophobicContact CD2-CE1 4.24Å; L583-Y610 HydrophobicContact CG-CD1 4.21Å; L583-Y610 HydrophobicContact CG-CE1 4.09Å; L583-L614 HydrophobicContact CD1-CD1 3.98Å
584L88.1Confident87.1Confident2.5 Ų2.542.7 Ų42.71%0.01322%0.218CC..Hα-helixtrans-58.2-49.8178-170.362.4000111.7M569 A572 S580 F581 S586 A587 C588 L843 Y847M569-L584 HydrophobicContact CB-CD1 4.32Å; M569-L584 HydrophobicContact CE-CD1 4.36Å; M569-L584 HydrophobicContact CG-CD1 4.31Å; A572-L584 HydrophobicContact CB-CB 3.7Å; A572-L584 HydrophobicContact CB-CD1 4.35Å; A572-L584 HydrophobicContact CB-CG 4.43Å; S580-L584 PolarHBondContact O-N 2.99Å; S580-L584 VanDerWaalsContact O-N 3.14Å; F581-L584 PolarHBondContact O-N 3.39Å; L584-S586 PolarHBondContact O-N 3.16Å; L584-A587 PolarHBondContact O-N 3.16Å; L584-C588 VanDerWaalsContact O-CB 3.31Å; L584-C588 WeakPolarHBondContact O-CB 3.48Å; L584-C588 PolarHBondContact O-N 3.4Å; L584-C588 PolarHBondContact O-SG 3.07Å; L584-C588 VanDerWaalsContact O-SG 3.34Å; L584-L843 HydrophobicContact CD1-CD2 4.2Å; L584-L843 HydrophobicContact CD2-CD2 3.87Å; L584-L843 HydrophobicContact CG-CD2 4.03Å; L584-Y847 HydrophobicContact CD2-CD1 4.43Å; L584-Y847 HydrophobicContact CD2-CD2 3.69Å; L584-Y847 HydrophobicContact CD2-CE2 4.13Å; L584-Y847 HydrophobicContact CD2-CG 3.85Å
585L89.4Confident87.1Confident64.5 Ų64.547.8 Ų47.834%0.33824%0.235SC..Hα-helixtrans-62.5-42178.1-176.962.2000111.6F581 L583 C588 I589 L844F581-L585 WeakPolarHBondContact O-CB 3.34Å; F581-L585 PolarHBondContact O-N 3.22Å; L583-L585 PolarHBondContact O-N 3.03Å; L585-C588 WeakPolarHBondContact O-CB 3.12Å; L585-C588 PolarHBondContact O-N 3.05Å; L585-I589 HydrophobicContact CD1-CD1 4.18Å; L585-I589 HydrophobicContact CD1-CG1 4.5Å; L585-I589 HydrophobicContact CG-CD1 3.99Å; L585-I589 VanDerWaalsContact O-CG1 3.3Å; L585-I589 WeakPolarHBondContact O-CG1 3.35Å; L585-I589 PolarHBondContact O-N 3.29Å; L585-L844 HydrophobicContact CD1-CD1 4.42Å; L585-L844 HydrophobicContact CD1-CD2 4.44Å
586S90.2Very high87.2Confident33 Ų3346.2 Ų46.223%0.23123%0.23CC..Hα-helixtrans-65.5-40.7178.277.10000112.5I582 L583 L584 I589 L590I582-S586 VanDerWaalsContact O-CB 3.23Å; I582-S586 WeakPolarHBondContact O-CB 3.39Å; I582-S586 PolarHBondContact O-N 3.13Å; I582-S586 PolarHBondContact O-OG 2.82Å; L583-S586 PolarHBondContact O-N 3.34Å; L583-S586 PolarHBondContact O-OG 2.86Å; L584-S586 PolarHBondContact O-N 3.16Å; S586-I589 PolarHBondContact O-N 3.09Å; S586-L590 WeakPolarHBondContact O-CB 3.45Å; S586-L590 WeakPolarHBondContact O-CD1 3.36Å; S586-L590 VanDerWaalsContact O-CG 3.22Å; S586-L590 WeakPolarHBondContact O-CG 3.42Å; S586-L590 PolarHBondContact O-N 3.14Å
587A88.7Confident87.3Confident0 Ų044.5 Ų44.50%022%0.223CC..Hα-helixtrans-64.6-46.7175.200000110.9M568 M569 L583 L584 I589 L590 W591M568-A587 HydrophobicContact CB-CB 3.98Å; M568-A587 HydrophobicContact CE-CB 4.12Å; M569-A587 HydrophobicContact CG-CB 3.51Å; M569-A587 VanDerWaalsContact CG-CB 3.49Å; M569-A587 HydrophobicContact SD-CB 4.25Å; L583-A587 WeakPolarHBondContact O-CB 3.47Å; L583-A587 PolarHBondContact O-N 3.11Å; L584-A587 PolarHBondContact O-N 3.16Å; A587-I589 VanDerWaalsContact C-N 3.34Å; A587-I589 PolarHBondContact O-N 3.14Å; A587-L590 PolarHBondContact O-N 3.1Å; A587-L590 VanDerWaalsContact O-N 3.16Å; A587-W591 PolarHBondContact O-N 3.27Å
588C85.3Confident87.3Confident1.5 Ų1.546.1 Ų46.11%0.0124%0.237CC..Hα-helixtrans-54-45.5173.3-83.90000112.6L584 L585 W591 I592 M840L584-C588 VanDerWaalsContact O-CB 3.31Å; L584-C588 WeakPolarHBondContact O-CB 3.48Å; L584-C588 PolarHBondContact O-N 3.4Å; L584-C588 PolarHBondContact O-SG 3.07Å; L584-C588 VanDerWaalsContact O-SG 3.34Å; L585-C588 WeakPolarHBondContact O-CB 3.12Å; L585-C588 PolarHBondContact O-N 3.05Å; C588-W591 PolarHBondContact O-N 3.3Å; C588-I592 PolarHBondContact O-N 3.04Å; C588-M840 HydrophobicContact CB-CE 3.6Å; C588-M840 VanDerWaalsContact CB-CE 3.49Å; C588-M840 WeakPolarHBondContact O-CE 3.48Å
589I87.8Confident87.4Confident91.5 Ų91.542.2 Ų42.247%0.46923%0.228SC..Hα-helixtrans-66.8-42.6175.7-68.8165.7000111.3L585 S586 A587 W591 I592 V593L585-I589 HydrophobicContact CD1-CD1 4.18Å; L585-I589 HydrophobicContact CD1-CG1 4.5Å; L585-I589 HydrophobicContact CG-CD1 3.99Å; L585-I589 VanDerWaalsContact O-CG1 3.3Å; L585-I589 WeakPolarHBondContact O-CG1 3.35Å; L585-I589 PolarHBondContact O-N 3.29Å; S586-I589 PolarHBondContact O-N 3.09Å; A587-I589 VanDerWaalsContact C-N 3.34Å; A587-I589 PolarHBondContact O-N 3.14Å; I589-W591 VanDerWaalsContact C-N 3.28Å; I589-W591 PolarHBondContact O-N 2.91Å; I589-I592 WeakPolarHBondContact O-CB 3.34Å; I589-I592 PolarHBondContact O-N 3.34Å; I589-I592 VanDerWaalsContact O-N 3.14Å; I589-V593 PolarHBondContact O-N 3.3Å
590L88.7Confident87.5Confident17 Ų1740.4 Ų40.49%0.08922%0.218CC..Hα-helixtrans-65.5-28.8179.4-73.9166000113.1L565 M568 S586 A587 S596 A599 I607L565-L590 HydrophobicContact CD2-CB 3.66Å; L565-L590 HydrophobicContact CD2-CD1 4.09Å; M568-L590 HydrophobicContact CE-CD1 3.88Å; S586-L590 WeakPolarHBondContact O-CB 3.45Å; S586-L590 WeakPolarHBondContact O-CD1 3.36Å; S586-L590 VanDerWaalsContact O-CG 3.22Å; S586-L590 WeakPolarHBondContact O-CG 3.42Å; S586-L590 PolarHBondContact O-N 3.14Å; A587-L590 PolarHBondContact O-N 3.1Å; A587-L590 VanDerWaalsContact O-N 3.16Å; L590-S596 WeakPolarHBondContact O-CB 3.4Å; L590-A599 HydrophobicContact CD2-CB 3.74Å; L590-I607 HydrophobicContact CD1-CD1 4.13Å
591W84.5Confident87.5Confident15.5 Ų15.540.6 Ų40.66%0.05922%0.219CC..Hα-helixtrans-68.1-34.7171.8-82.1115.3000113.2I562 L565 M569 A587 C588 I589 V593 V894 I897I562-W591 HydrophobicContact CG2-CH2 4.11Å; L565-W591 HydrophobicContact CB-CZ2 3.97Å; L565-W591 HydrophobicContact CD1-CD2 4Å; L565-W591 HydrophobicContact CD1-CE3 4.3Å; L565-W591 HydrophobicContact CD1-CG 4.39Å; L565-W591 HydrophobicContact CD1-CH2 4.36Å; L565-W591 HydrophobicContact CD1-CZ2 4.05Å; L565-W591 HydrophobicContact CD1-CZ3 4.39Å; M569-W591 PolarHBondContact SD-NE1 3.2Å; M569-W591 VanDerWaalsContact SD-NE1 3.45Å; A587-W591 PolarHBondContact O-N 3.27Å; C588-W591 PolarHBondContact O-N 3.3Å; I589-W591 VanDerWaalsContact C-N 3.28Å; I589-W591 PolarHBondContact O-N 2.91Å; W591-V593 VanDerWaalsContact C-N 3.32Å; W591-V593 PolarHBondContact O-N 3.28Å; W591-V894 HydrophobicContact CD2-CG2 4.33Å; W591-V894 HydrophobicContact CE3-CG2 4.38Å; W591-V894 HydrophobicContact CH2-CG1 3.92Å; W591-V894 HydrophobicContact CH2-CG2 3.83Å; W591-V894 HydrophobicContact CZ2-CG2 3.76Å; W591-V894 HydrophobicContact CZ3-CG1 4.04Å; W591-V894 HydrophobicContact CZ3-CG2 4.15Å; W591-I897 HydrophobicContact CB-CD1 3.85Å; W591-I897 HydrophobicContact CE3-CG2 4.37Å; W591-I897 WeakPolarHBondContact O-CG2 3.49Å
592I84.8Confident87.6Confident52.5 Ų52.547 Ų4727%0.26924%0.244SC..Hα-helixtrans-66.6-30.6177.6-72.9170000112.7C588 I589 W833 V836 M840 H901C588-I592 PolarHBondContact O-N 3.04Å; I589-I592 WeakPolarHBondContact O-CB 3.34Å; I589-I592 PolarHBondContact O-N 3.34Å; I589-I592 VanDerWaalsContact O-N 3.14Å; I592-W833 HydrophobicContact CG1-CZ3 4.35Å; I592-W833 HydrophobicContact CG2-CH2 3.96Å; I592-W833 HydrophobicContact CG2-CZ3 3.96Å; I592-V836 HydrophobicContact CG1-CG1 4.4Å; I592-M840 HydrophobicContact CD1-CE 3.44Å; I592-M840 HydrophobicContact CD1-SD 3.61Å; I592-M840 VanDerWaalsContact CD1-SD 3.58Å; I592-M840 HydrophobicContact CG1-CE 4.04Å; I592-M840 HydrophobicContact CG1-SD 3.95Å; I592-H901 PolarHBondContact O-CE1 2.9Å; I592-H901 VanDerWaalsContact O-CE1 3.26Å; I592-H901 PolarHBondContact O-NE2 3.11Å
593V85.1Confident87.5Confident48 Ų4844.1 Ų44.129%0.29123%0.231SC..SBendtrans-72125.1-1681740000110.7I589 W591 K595 S596 A599I589-V593 PolarHBondContact O-N 3.3Å; W591-V593 VanDerWaalsContact C-N 3.32Å; W591-V593 PolarHBondContact O-N 3.28Å; V593-K595 PolarHBondContact O-N 3.05Å; V593-S596 VanDerWaalsContact O-CA 3.32Å; V593-S596 WeakPolarHBondContact O-CA 3.44Å; V593-S596 VanDerWaalsContact O-CB 3.28Å; V593-S596 WeakPolarHBondContact O-CB 3.45Å; V593-S596 PolarHBondContact O-N 3.02Å; V593-A599 HydrophobicContact CB-CB 4.37Å; V593-A599 HydrophobicContact CG1-CB 3.91Å
594P79.8Confident87.5Confident101.5 Ų101.544.1 Ų44.166%0.65923%0.231SC*.THydrogen-bonded Turntrans-66.3-10.9-175.226-36.2000114.7
595K83.8Confident87.7Confident165 Ų16546.6 Ų46.672%0.71725%0.247SC*.THydrogen-bonded Turntrans-117.643.9167.8-64.7-177.7179.3175.90110.4V593 R597 A598 A599V593-K595 PolarHBondContact O-N 3.05Å; K595-R597 VanDerWaalsContact C-N 3.25Å; K595-R597 PolarHBondContact O-N 3.07Å; K595-R597 VanDerWaalsContact O-N 3.14Å; K595-A598 HydrophobicContact CB-CB 4.29Å; K595-A598 WeakPolarHBondContact O-CA 3.43Å; K595-A598 WeakPolarHBondContact O-CB 3.43Å; K595-A598 PolarHBondContact O-N 3.47Å; K595-A599 PolarHBondContact O-N 3.33Å
596S84.8Confident87.8Confident8.5 Ų8.549.3 Ų49.36%0.05926%0.262CS..Hα-helixtrans-45.6-44.2-175.155.40000113.4L590 V593 A598 A599 C600L590-S596 WeakPolarHBondContact O-CB 3.4Å; V593-S596 VanDerWaalsContact O-CA 3.32Å; V593-S596 WeakPolarHBondContact O-CA 3.44Å; V593-S596 VanDerWaalsContact O-CB 3.28Å; V593-S596 WeakPolarHBondContact O-CB 3.45Å; V593-S596 PolarHBondContact O-N 3.02Å; S596-A598 PolarHBondContact O-N 3.09Å; S596-A599 PolarHBondContact O-N 3.36Å; S596-C600 WeakPolarHBondContact O-CB 3.31Å; S596-C600 PolarHBondContact O-N 3.03Å
597R87.2Confident87.9Confident52.5 Ų52.548.3 Ų48.320%0.19825%0.254CS..Hα-helixtrans-52.4-50.7172-175.4177.6-169.4-74.7-6.2113.1K558 Y561 K595 L601 E676K558-R597 VanDerWaalsContact O-CZ 3.26Å; K558-R597 PolarHBondContact O-NE 3.06Å; K558-R597 PolarHBondContact O-NH2 3.21Å; Y561-R597 HydrophobicContact CD1-CB 4.02Å; Y561-R597 HydrophobicContact CD1-CG 3.63Å; Y561-R597 HydrophobicContact CD2-CB 4.33Å; Y561-R597 HydrophobicContact CE1-CB 3.64Å; Y561-R597 HydrophobicContact CE1-CG 3.65Å; Y561-R597 HydrophobicContact CE2-CB 3.99Å; Y561-R597 HydrophobicContact CG-CB 4.34Å; Y561-R597 HydrophobicContact CG-CG 4.13Å; K595-R597 VanDerWaalsContact C-N 3.25Å; K595-R597 PolarHBondContact O-N 3.07Å; K595-R597 VanDerWaalsContact O-N 3.14Å; R597-L601 HydrophobicContact CG-CD1 4.04Å; R597-L601 WeakPolarHBondContact O-CB 3.33Å; R597-L601 WeakPolarHBondContact O-CD1 3.36Å; R597-L601 WeakPolarHBondContact O-CG 3.45Å; R597-L601 PolarHBondContact O-N 3Å; R597-E676 IonicContact CZ-OE1 2.72Å; R597-E676 IonicContact NH1-OE1 3.48Å; R597-E676 PolarHBondContact NH1-OE1 3.07Å; R597-E676 IonicContact NH1-OE2 3.15Å; R597-E676 PolarHBondContact NH1-OE2 3.11Å; R597-E676 IonicContact NH2-OE1 3.67Å; R597-E676 PolarHBondContact NH2-OE1 3.14Å
598A87.4Confident88.2Confident39 Ų3948.6 Ų48.632%0.32226%0.256SS..Hα-helixtrans-69.6-40.3-179.700000111.4K595 S596 L601 Y602K595-A598 HydrophobicContact CB-CB 4.29Å; K595-A598 WeakPolarHBondContact O-CA 3.43Å; K595-A598 WeakPolarHBondContact O-CB 3.43Å; K595-A598 PolarHBondContact O-N 3.47Å; S596-A598 PolarHBondContact O-N 3.09Å; A598-L601 PolarHBondContact O-N 3.18Å; A598-Y602 WeakPolarHBondContact O-CB 3.37Å; A598-Y602 WeakPolarHBondContact O-CD2 3.38Å; A598-Y602 PolarHBondContact O-N 3.22Å
599A89.9Confident88.5Confident26.5 Ų26.553.6 Ų53.622%0.21928%0.282CS..Hα-helixtrans-61.1-46.6175.900000111.8L590 V593 K595 S596 Y602 S603L590-A599 HydrophobicContact CD2-CB 3.74Å; V593-A599 HydrophobicContact CB-CB 4.37Å; V593-A599 HydrophobicContact CG1-CB 3.91Å; K595-A599 PolarHBondContact O-N 3.33Å; S596-A599 PolarHBondContact O-N 3.36Å; A599-Y602 PolarHBondContact O-N 3.31Å; A599-S603 WeakPolarHBondContact O-CB 3.49Å; A599-S603 PolarHBondContact O-N 2.9Å; A599-S603 PolarHBondContact O-OG 3.07Å; A599-S603 VanDerWaalsContact O-OG 3.09Å
600C90.7Very high88.8Confident0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-63.4-40.8176.6-177.30000112.3Y561 L565 S596 S603 S604Y561-C600 HydrophobicContact CD2-CB 4.12Å; L565-C600 HydrophobicContact CD2-CB 4.37Å; S596-C600 WeakPolarHBondContact O-CB 3.31Å; S596-C600 PolarHBondContact O-N 3.03Å; C600-S603 WeakPolarHBondContact CA-OG 3.22Å; C600-S603 PolarHBondContact O-N 2.93Å; C600-S603 PolarHBondContact O-OG 3.01Å; C600-S604 WeakPolarHBondContact O-CB 3.23Å; C600-S604 PolarHBondContact O-N 2.91Å
601L89.2Confident89Confident8.66667 Ų8.6666751.2 Ų51.25%0.04527%0.266CS..Hα-helixtrans-64.9-39.8174-71.1167000112R597 A598 S604 T669 L672 F673R597-L601 HydrophobicContact CG-CD1 4.04Å; R597-L601 WeakPolarHBondContact O-CB 3.33Å; R597-L601 WeakPolarHBondContact O-CD1 3.36Å; R597-L601 WeakPolarHBondContact O-CG 3.45Å; R597-L601 PolarHBondContact O-N 3Å; A598-L601 PolarHBondContact O-N 3.18Å; L601-S604 PolarHBondContact O-N 3.03Å; L601-S604 PolarHBondContact O-OG 3.3Å; L601-T669 HydrophobicContact CD2-CG2 3.88Å; L601-T669 WeakPolarHBondContact CD2-O 3.32Å; L601-L672 HydrophobicContact CD2-CB 4.25Å; L601-L672 HydrophobicContact CD2-CD2 4.17Å; L601-L672 HydrophobicContact CD2-CG 4.07Å; L601-F673 HydrophobicContact CB-CB 4.21Å; L601-F673 HydrophobicContact CB-CD2 4.05Å; L601-F673 HydrophobicContact CB-CG 4.42Å; L601-F673 HydrophobicContact CD2-CB 3.81Å; L601-F673 WeakPolarHBondContact O-CD2 3.25Å; L601-F673 WeakPolarHBondContact O-CG 3.46Å
602Y90.5Very high89.5Confident170 Ų17052.5 Ų52.567%0.66727%0.273SS*.Hα-helixtrans-71.8-32175.9-76.1-56000114A598 A599 P605 F673A598-Y602 WeakPolarHBondContact O-CB 3.37Å; A598-Y602 WeakPolarHBondContact O-CD2 3.38Å; A598-Y602 PolarHBondContact O-N 3.22Å; A599-Y602 PolarHBondContact O-N 3.31Å; Y602-P605 WeakPolarHBondContact O-CD 3.27Å; Y602-F673 AromaticContact CD1-CE2 3.78Å; Y602-F673 HydrophobicContact CD1-CE2 3.78Å; Y602-F673 HydrophobicContact CD1-CZ 4.16Å; Y602-F673 AromaticContact CE1-CE2 3.9Å; Y602-F673 HydrophobicContact CE1-CE2 3.94Å; Y602-F673 HydrophobicContact CE1-CZ 4.41Å
603S90.5Very high89.8Confident26 Ų2653.1 Ų53.118%0.18228%0.279CS..Hα-helixtrans-84.4-15.9175.458.60000113.6A599 C600 P605 L606 I607A599-S603 WeakPolarHBondContact O-CB 3.49Å; A599-S603 PolarHBondContact O-N 2.9Å; A599-S603 PolarHBondContact O-OG 3.07Å; A599-S603 VanDerWaalsContact O-OG 3.09Å; C600-S603 WeakPolarHBondContact CA-OG 3.22Å; C600-S603 PolarHBondContact O-N 2.93Å; C600-S603 PolarHBondContact O-OG 3.01Å; S603-P605 VanDerWaalsContact C-CD 3.45Å; S603-L606 WeakPolarHBondContact O-CA 3.35Å; S603-L606 WeakPolarHBondContact O-CB 3.32Å; S603-L606 PolarHBondContact O-N 3.24Å; S603-I607 PolarHBondContact O-N 2.99Å; S603-I607 VanDerWaalsContact OG-CD1 3.3Å; S603-I607 WeakPolarHBondContact OG-CD1 3.21Å
604S91.4Very high90.1Very high2 Ų251.4 Ų51.41%0.01427%0.269CS..Hα-helixtrans-47.1-42.4-179.368.30000116.1C600 L601 L606 I607 V608C600-S604 WeakPolarHBondContact O-CB 3.23Å; C600-S604 PolarHBondContact O-N 2.91Å; L601-S604 PolarHBondContact O-N 3.03Å; L601-S604 PolarHBondContact O-OG 3.3Å; S604-L606 VanDerWaalsContact C-N 3.33Å; S604-L606 PolarHBondContact O-N 3.03Å; S604-I607 PolarHBondContact O-N 3.17Å; S604-V608 WeakPolarHBondContact O-CB 3.33Å; S604-V608 WeakPolarHBondContact O-CG2 3.45Å; S604-V608 PolarHBondContact O-N 3.23Å
605P91.9Very high90.7Very high54.6667 Ų54.666747 Ų4736%0.35524%0.239SC..Hα-helixtrans-66.3-32.517626.3-36000113.3Y602 S603 L609 L670Y602-P605 WeakPolarHBondContact O-CD 3.27Å; S603-P605 VanDerWaalsContact C-CD 3.45Å; P605-L609 VanDerWaalsContact O-CB 3.29Å; P605-L609 WeakPolarHBondContact O-CB 3.4Å; P605-L609 PolarHBondContact O-N 3.19Å; P605-L609 VanDerWaalsContact O-N 3.08Å; P605-L670 HydrophobicContact CB-CD1 4.08Å
606L92.8Very high91Very high122 Ų12242.2 Ų42.264%0.63922%0.221SC*.Hα-helixtrans-74.8-39176.8-60.8175.8000111.2S603 S604 L609 Y610S603-L606 WeakPolarHBondContact O-CA 3.35Å; S603-L606 WeakPolarHBondContact O-CB 3.32Å; S603-L606 PolarHBondContact O-N 3.24Å; S604-L606 VanDerWaalsContact C-N 3.33Å; S604-L606 PolarHBondContact O-N 3.03Å; L606-L609 PolarHBondContact O-N 2.88Å; L606-Y610 VanDerWaalsContact O-CB 3.29Å; L606-Y610 WeakPolarHBondContact O-CB 3.39Å; L606-Y610 PolarHBondContact O-N 3.12Å
607I92.1Very high91.2Very high12.6667 Ų12.666743.9 Ų43.97%0.06523%0.229CC..Hα-helixtrans-62.9-46.6175.6-65.2162.6000110.5M568 L590 S603 S604 Y610 A611 F666M568-I607 HydrophobicContact CE-CD1 4.04Å; M568-I607 HydrophobicContact CG-CG2 4.22Å; M568-I607 HydrophobicContact SD-CB 4.47Å; M568-I607 HydrophobicContact SD-CD1 3.67Å; M568-I607 HydrophobicContact SD-CG1 3.93Å; M568-I607 HydrophobicContact SD-CG2 3.67Å; L590-I607 HydrophobicContact CD1-CD1 4.13Å; S603-I607 PolarHBondContact O-N 2.99Å; S603-I607 VanDerWaalsContact OG-CD1 3.3Å; S603-I607 WeakPolarHBondContact OG-CD1 3.21Å; S604-I607 PolarHBondContact O-N 3.17Å; I607-Y610 PolarHBondContact O-N 3.17Å; I607-A611 VanDerWaalsContact O-CB 3.3Å; I607-A611 WeakPolarHBondContact O-CB 3.42Å; I607-A611 PolarHBondContact O-N 3.4Å; I607-F666 HydrophobicContact CG2-CB 4.39Å; I607-F666 HydrophobicContact CG2-CD1 4.25Å; I607-F666 HydrophobicContact CG2-CD2 3.85Å; I607-F666 HydrophobicContact CG2-CE1 4.43Å; I607-F666 HydrophobicContact CG2-CE2 4.16Å; I607-F666 HydrophobicContact CG2-CG 3.92Å; I607-F666 HydrophobicContact CG2-CZ 4.4Å
608V93.2Very high91.2Very high6.33333 Ų6.3333342.5 Ų42.54%0.03823%0.225CC..Hα-helixtrans-62.1-45.8176.3169.20000111.1T243 S604 Y610 A611 I612 L663 F666 L670T243-V608 HydrophobicContact CG2-CG1 4.42Å; S604-V608 WeakPolarHBondContact O-CB 3.33Å; S604-V608 WeakPolarHBondContact O-CG2 3.45Å; S604-V608 PolarHBondContact O-N 3.23Å; V608-Y610 PolarHBondContact O-N 3.41Å; V608-A611 PolarHBondContact O-N 3.04Å; V608-I612 HydrophobicContact CG1-CD1 3.78Å; V608-I612 WeakPolarHBondContact O-CB 3.39Å; V608-I612 WeakPolarHBondContact O-CD1 3.35Å; V608-I612 VanDerWaalsContact O-CG1 3.26Å; V608-I612 WeakPolarHBondContact O-CG1 3.36Å; V608-I612 PolarHBondContact O-N 3.39Å; V608-L663 HydrophobicContact CG1-CD1 4.46Å; V608-F666 HydrophobicContact CG2-CB 3.64Å; V608-L670 HydrophobicContact CB-CD2 4.19Å; V608-L670 HydrophobicContact CG1-CD2 4.15Å; V608-L670 HydrophobicContact CG2-CB 4.15Å; V608-L670 HydrophobicContact CG2-CD2 3.98Å
609L93.5Very high91.2Very high106.333 Ų106.33342.9 Ų42.956%0.55722%0.219SC*.Hα-helixtrans-60.2-45.6177.2-179.463.8000111.9P605 L606 I612 V613P605-L609 VanDerWaalsContact O-CB 3.29Å; P605-L609 WeakPolarHBondContact O-CB 3.4Å; P605-L609 PolarHBondContact O-N 3.19Å; P605-L609 VanDerWaalsContact O-N 3.08Å; L606-L609 PolarHBondContact O-N 2.88Å; L609-I612 PolarHBondContact O-N 3.09Å; L609-V613 WeakPolarHBondContact O-CG2 3.37Å; L609-V613 PolarHBondContact O-N 3.43Å; L609-V613 VanDerWaalsContact O-N 3.12Å
610Y94.1Very high91.1Very high57.6667 Ų57.666745.7 Ų45.723%0.22623%0.229CC..Hα-helixtrans-64.5-44.9179.3-172.1-109.8000111.9L579 I582 L583 L606 I607 V608 I612 V613 L614L579-Y610 WeakPolarHBondContact CD2-OH 3.41Å; L579-Y610 PolarHBondContact O-OH 3.32Å; L579-Y610 VanDerWaalsContact O-OH 3.06Å; I582-Y610 HydrophobicContact CB-CE1 4.34Å; I582-Y610 HydrophobicContact CG2-CE1 4.37Å; L583-Y610 HydrophobicContact CD2-CD1 3.87Å; L583-Y610 HydrophobicContact CD2-CE1 4.24Å; L583-Y610 HydrophobicContact CG-CD1 4.21Å; L583-Y610 HydrophobicContact CG-CE1 4.09Å; L606-Y610 VanDerWaalsContact O-CB 3.29Å; L606-Y610 WeakPolarHBondContact O-CB 3.39Å; L606-Y610 PolarHBondContact O-N 3.12Å; I607-Y610 PolarHBondContact O-N 3.17Å; V608-Y610 PolarHBondContact O-N 3.41Å; Y610-I612 VanDerWaalsContact C-N 3.32Å; Y610-I612 PolarHBondContact O-N 3.15Å; Y610-V613 WeakPolarHBondContact O-CB 3.17Å; Y610-V613 PolarHBondContact O-N 3.25Å; Y610-V613 VanDerWaalsContact O-N 3.12Å; Y610-L614 HydrophobicContact CD1-CD1 4.18Å; Y610-L614 HydrophobicContact CD1-CG 4.34Å; Y610-L614 HydrophobicContact CE1-CD1 3.75Å; Y610-L614 HydrophobicContact CE1-CD2 4.19Å; Y610-L614 HydrophobicContact CE1-CG 4.05Å; Y610-L614 HydrophobicContact CE2-CD2 4.46Å; Y610-L614 WeakPolarHBondContact O-CG 3.41Å; Y610-L614 PolarHBondContact O-N 3.09Å
611A92.9Very high90.8Very high0 Ų046.9 Ų46.90%023%0.233CC..Hα-helixtrans-62.7-35.7176.800000113.1W571 I607 V608 L614 I615 L663 F666W571-A611 HydrophobicContact CH2-CB 3.84Å; W571-A611 HydrophobicContact CZ3-CB 3.85Å; I607-A611 VanDerWaalsContact O-CB 3.3Å; I607-A611 WeakPolarHBondContact O-CB 3.42Å; I607-A611 PolarHBondContact O-N 3.4Å; V608-A611 PolarHBondContact O-N 3.04Å; A611-L614 PolarHBondContact O-N 3.36Å; A611-I615 WeakPolarHBondContact O-CG1 3.34Å; A611-I615 PolarHBondContact O-N 3.33Å; A611-L663 HydrophobicContact CB-CD1 3.83Å; A611-F666 HydrophobicContact CB-CD2 3.63Å; A611-F666 HydrophobicContact CB-CE2 3.68Å
612I93.1Very high90.4Very high41.6667 Ų41.666747.1 Ų47.121%0.21424%0.237CC..Hα-helixtrans-63.1-44172-71.9165.5000110.8L239 T243 V608 L609 Y610 L614 I615 L616 L663L239-I612 HydrophobicContact CD1-CG2 4.46Å; L239-I612 HydrophobicContact CD2-CG1 4.49Å; T243-I612 HydrophobicContact CG2-CD1 4.46Å; T243-I612 WeakPolarHBondContact OG1-CD1 3.45Å; V608-I612 HydrophobicContact CG1-CD1 3.78Å; V608-I612 WeakPolarHBondContact O-CB 3.39Å; V608-I612 WeakPolarHBondContact O-CD1 3.35Å; V608-I612 VanDerWaalsContact O-CG1 3.26Å; V608-I612 WeakPolarHBondContact O-CG1 3.36Å; V608-I612 PolarHBondContact O-N 3.39Å; L609-I612 PolarHBondContact O-N 3.09Å; Y610-I612 VanDerWaalsContact C-N 3.32Å; Y610-I612 PolarHBondContact O-N 3.15Å; I612-L614 VanDerWaalsContact C-N 3.35Å; I612-L614 PolarHBondContact O-N 3.05Å; I612-I615 PolarHBondContact O-N 2.86Å; I612-L616 HydrophobicContact CG2-CD1 4.04Å; I612-L616 HydrophobicContact CG2-CG 4.47Å; I612-L616 WeakPolarHBondContact O-CG 3.39Å; I612-L616 PolarHBondContact O-N 3.23Å; I612-L663 HydrophobicContact CG1-CD1 4.22Å; I612-L663 HydrophobicContact CG1-CD2 4.17Å
613V92.7Very high90Very high65.6667 Ų65.666740.8 Ų40.840%0.39822%0.215SC..Hα-helixtrans-61.7-41.8176172.30000111.5L609 Y610 L616 I617L609-V613 WeakPolarHBondContact O-CG2 3.37Å; L609-V613 PolarHBondContact O-N 3.43Å; L609-V613 VanDerWaalsContact O-N 3.12Å; Y610-V613 WeakPolarHBondContact O-CB 3.17Å; Y610-V613 PolarHBondContact O-N 3.25Å; Y610-V613 VanDerWaalsContact O-N 3.12Å; V613-L616 PolarHBondContact O-N 3.06Å; V613-I617 HydrophobicContact CG1-CD1 3.97Å; V613-I617 WeakPolarHBondContact O-CG1 3.33Å; V613-I617 PolarHBondContact O-N 3.23Å
614L91.4Very high89.4Confident13.6667 Ų13.666742.8 Ų42.87%0.07222%0.224CC..Hα-helixtrans-62.6-42.7175.6-63-170.5000112.6W571 L579 L583 Y610 A611 I612 L616 I617 Q618W571-L614 HydrophobicContact CZ2-CB 3.95Å; W571-L614 HydrophobicContact CZ2-CD1 4.19Å; L579-L614 HydrophobicContact CB-CD2 3.79Å; L579-L614 HydrophobicContact CD1-CD2 3.97Å; L579-L614 HydrophobicContact CD2-CD2 4.33Å; L579-L614 HydrophobicContact CG-CD2 4.25Å; L583-L614 HydrophobicContact CD1-CD1 3.98Å; Y610-L614 HydrophobicContact CD1-CD1 4.18Å; Y610-L614 HydrophobicContact CD1-CG 4.34Å; Y610-L614 HydrophobicContact CE1-CD1 3.75Å; Y610-L614 HydrophobicContact CE1-CD2 4.19Å; Y610-L614 HydrophobicContact CE1-CG 4.05Å; Y610-L614 HydrophobicContact CE2-CD2 4.46Å; Y610-L614 WeakPolarHBondContact O-CG 3.41Å; Y610-L614 PolarHBondContact O-N 3.09Å; A611-L614 PolarHBondContact O-N 3.36Å; I612-L614 VanDerWaalsContact C-N 3.35Å; I612-L614 PolarHBondContact O-N 3.05Å; L614-L616 VanDerWaalsContact C-N 3.33Å; L614-L616 PolarHBondContact O-N 2.96Å; L614-I617 PolarHBondContact O-N 3.36Å; L614-Q618 WeakPolarHBondContact O-CB 3.36Å; L614-Q618 PolarHBondContact O-N 2.93Å
615I91.4Very high88.6Confident7.33333 Ų7.3333344.3 Ų44.34%0.03823%0.231CC..Hα-helixtrans-64.2-38.8176.5-74.4161.7000111.2L239 W571 A611 I612 I617 Q618 Y619 L656 Q659 I660 L663L239-I615 HydrophobicContact CD1-CG2 4.4Å; W571-I615 HydrophobicContact CH2-CD1 3.73Å; W571-I615 HydrophobicContact CH2-CG1 3.85Å; W571-I615 HydrophobicContact CZ2-CG1 4.24Å; W571-I615 HydrophobicContact CZ3-CD1 4.47Å; A611-I615 WeakPolarHBondContact O-CG1 3.34Å; A611-I615 PolarHBondContact O-N 3.33Å; I612-I615 PolarHBondContact O-N 2.86Å; I615-I617 PolarHBondContact O-N 2.96Å; I615-Q618 PolarHBondContact O-N 3Å; I615-Y619 VanDerWaalsContact O-CB 3.27Å; I615-Y619 WeakPolarHBondContact O-CB 3.33Å; I615-Y619 PolarHBondContact O-N 3.17Å; I615-L656 HydrophobicContact CG2-CD2 4.41Å; I615-Q659 HydrophobicContact CD1-CB 4.16Å; I615-Q659 HydrophobicContact CG1-CB 3.95Å; I615-I660 HydrophobicContact CD1-CG1 4.03Å; I615-L663 HydrophobicContact CD1-CB 4.09Å; I615-L663 HydrophobicContact CD1-CD1 4.47Å; I615-L663 HydrophobicContact CD1-CD2 3.75Å; I615-L663 HydrophobicContact CD1-CG 4.39Å
616L91Very high87.7Confident64 Ų6445.4 Ų45.434%0.33524%0.235SC..Hα-helixtrans-65.7-40.6176.2-70.3170.6000112L236 L239 I612 V613 L614 Y619 I620L236-L616 HydrophobicContact CD2-CD1 4.5Å; L236-L616 HydrophobicContact CD2-CD2 3.79Å; L239-L616 HydrophobicContact CD1-CD2 4.25Å; I612-L616 HydrophobicContact CG2-CD1 4.04Å; I612-L616 HydrophobicContact CG2-CG 4.47Å; I612-L616 WeakPolarHBondContact O-CG 3.39Å; I612-L616 PolarHBondContact O-N 3.23Å; V613-L616 PolarHBondContact O-N 3.06Å; L614-L616 VanDerWaalsContact C-N 3.33Å; L614-L616 PolarHBondContact O-N 2.96Å; L616-Y619 WeakPolarHBondContact O-CB 3.38Å; L616-Y619 PolarHBondContact O-N 3.22Å; L616-I620 WeakPolarHBondContact O-CD1 3.45Å; L616-I620 VanDerWaalsContact O-CG1 3.3Å; L616-I620 WeakPolarHBondContact O-CG1 3.37Å; L616-I620 PolarHBondContact O-N 3.23Å; L616-I620 VanDerWaalsContact O-N 3.11Å
617I87.6Confident86.6Confident45.3333 Ų45.333343.6 Ų43.623%0.23223%0.232CC..Hα-helixtrans-62.6-48.8172.9-66.8165.2000110.2L579 V613 L614 I615 Y619 I620 Y621 M646L579-I617 HydrophobicContact CD1-CD1 4.25Å; V613-I617 HydrophobicContact CG1-CD1 3.97Å; V613-I617 WeakPolarHBondContact O-CG1 3.33Å; V613-I617 PolarHBondContact O-N 3.23Å; L614-I617 PolarHBondContact O-N 3.36Å; I615-I617 PolarHBondContact O-N 2.96Å; I617-Y619 VanDerWaalsContact C-N 3.28Å; I617-Y619 PolarHBondContact O-N 3.16Å; I617-I620 PolarHBondContact O-N 3.21Å; I617-Y621 HydrophobicContact CG2-CD2 4.24Å; I617-Y621 WeakPolarHBondContact O-CD2 3.22Å; I617-Y621 PolarHBondContact O-N 3.1Å; I617-M646 HydrophobicContact CG2-CG 3.86Å; I617-M646 HydrophobicContact CG2-SD 4.38Å
618Q87.1Confident85.6Confident22 Ų2249.6 Ų49.610%0.10326%0.264CS..Hα-helixtrans-62.5-33.7179.3-174.664.388.600112.6L614 I615 Y621 G622 Q647 L656L614-Q618 WeakPolarHBondContact O-CB 3.36Å; L614-Q618 PolarHBondContact O-N 2.93Å; I615-Q618 PolarHBondContact O-N 3Å; Q618-Y621 CarbonylContact O-C 3.46Å; Q618-Y621 PolarHBondContact O-N 3.04Å; Q618-G622 PolarHBondContact O-N 3.19Å; Q618-Q647 PolarHBondContact NE2-O 3.17Å; Q618-L656 HydrophobicContact CB-CD2 4.13Å; Q618-L656 HydrophobicContact CG-CD2 3.91Å; Q618-L656 HydrophobicContact CG-CG 4.48Å
619Y89Confident84.7Confident49 Ų4953.3 Ų53.319%0.19228%0.281CS..Hα-helixtrans-67.1-44175.6-175.2-98.5000112G223 P227 S228 S231 C232 L235 I615 L616 I617 Y621 G622 L623 L656G223-Y619 WeakPolarHBondContact O-CE2 3.33Å; P227-Y619 HydrophobicContact CB-CD2 4.23Å; P227-Y619 HydrophobicContact CB-CE2 3.81Å; S228-Y619 PolarHBondContact N-OH 3.39Å; S228-Y619 PolarHBondContact O-OH 3.35Å; S231-Y619 WeakPolarHBondContact CB-OH 3.22Å; C232-Y619 HydrophobicContact CB-CE1 3.73Å; C232-Y619 PolarHBondContact N-OH 3.33Å; L235-Y619 HydrophobicContact CD2-CD1 4.29Å; L235-Y619 HydrophobicContact CD2-CD2 3.35Å; L235-Y619 HydrophobicContact CD2-CE2 3.81Å; L235-Y619 HydrophobicContact CD2-CG 3.62Å; I615-Y619 VanDerWaalsContact O-CB 3.27Å; I615-Y619 WeakPolarHBondContact O-CB 3.33Å; I615-Y619 PolarHBondContact O-N 3.17Å; L616-Y619 WeakPolarHBondContact O-CB 3.38Å; L616-Y619 PolarHBondContact O-N 3.22Å; I617-Y619 VanDerWaalsContact C-N 3.28Å; I617-Y619 PolarHBondContact O-N 3.16Å; Y619-Y621 VanDerWaalsContact C-N 3.34Å; Y619-Y621 PolarHBondContact O-N 2.97Å; Y619-G622 WeakPolarHBondContact O-CA 3.37Å; Y619-G622 PolarHBondContact O-N 3.03Å; Y619-L623 HydrophobicContact CE1-CD2 4.5Å; Y619-L623 PolarHBondContact O-N 3.33Å; Y619-L656 HydrophobicContact CD2-CD1 3.83Å; Y619-L656 HydrophobicContact CD2-CD2 4.46Å; Y619-L656 HydrophobicContact CE2-CD1 4.37Å; Y619-L656 HydrophobicContact CG-CD1 4.36Å
620I87Confident83.7Confident84.3333 Ų84.333350.1 Ų50.143%0.43226%0.264SS..Hα-helixtrans-61.4-44.6174.9-68163.5000110.5L616 I617 G622 L623L616-I620 WeakPolarHBondContact O-CD1 3.45Å; L616-I620 VanDerWaalsContact O-CG1 3.3Å; L616-I620 WeakPolarHBondContact O-CG1 3.37Å; L616-I620 PolarHBondContact O-N 3.23Å; L616-I620 VanDerWaalsContact O-N 3.11Å; I617-I620 PolarHBondContact O-N 3.21Å; I620-G622 PolarHBondContact O-N 3.17Å; I620-L623 HydrophobicContact CG2-CD1 4.45Å; I620-L623 VanDerWaalsContact O-CB 3.3Å; I620-L623 WeakPolarHBondContact O-CB 3.42Å; I620-L623 VanDerWaalsContact O-CG 3.29Å; I620-L623 WeakPolarHBondContact O-CG 3.34Å; I620-L623 PolarHBondContact O-N 3.05Å; I620-L623 VanDerWaalsContact O-N 3.14Å
621Y83.4Confident82.6Confident25 Ų2550 Ų5010%0.09827%0.271CS..THydrogen-bonded Turntrans-73-4.4174-82.9-93.7000114.3I617 Q618 Y619 L630 M646 R648I617-Y621 HydrophobicContact CG2-CD2 4.24Å; I617-Y621 WeakPolarHBondContact O-CD2 3.22Å; I617-Y621 PolarHBondContact O-N 3.1Å; Q618-Y621 CarbonylContact O-C 3.46Å; Q618-Y621 PolarHBondContact O-N 3.04Å; Y619-Y621 VanDerWaalsContact C-N 3.34Å; Y619-Y621 PolarHBondContact O-N 2.97Å; Y621-L630 HydrophobicContact CD1-CD2 3.58Å; Y621-L630 HydrophobicContact CD1-CG 4.22Å; Y621-L630 HydrophobicContact CD2-CD2 4.14Å; Y621-L630 HydrophobicContact CE1-CD1 4.16Å; Y621-L630 HydrophobicContact CE1-CD2 3.54Å; Y621-L630 VanDerWaalsContact CE1-CD2 3.47Å; Y621-L630 HydrophobicContact CE1-CG 3.66Å; Y621-L630 HydrophobicContact CE2-CD1 4.18Å; Y621-L630 HydrophobicContact CE2-CD2 4.1Å; Y621-L630 HydrophobicContact CE2-CG 4.43Å; Y621-L630 HydrophobicContact CG-CD2 3.88Å; Y621-M646 VanDerWaalsContact CD1-C 3.5Å; Y621-M646 HydrophobicContact CD1-CB 4.2Å; Y621-M646 WeakPolarHBondContact CD1-O 3.41Å; Y621-M646 HydrophobicContact CD2-CB 4.13Å; Y621-M646 HydrophobicContact CD2-CG 4.13Å; Y621-M646 HydrophobicContact CE1-CB 3.76Å; Y621-M646 VanDerWaalsContact CE1-O 3.3Å; Y621-M646 WeakPolarHBondContact CE1-O 3.29Å; Y621-M646 HydrophobicContact CE2-CB 3.69Å; Y621-M646 HydrophobicContact CE2-CG 3.65Å; Y621-M646 VanDerWaalsContact CE2-CG 3.46Å; Y621-M646 HydrophobicContact CE2-SD 3.64Å; Y621-M646 VanDerWaalsContact CE2-SD 3.51Å; Y621-M646 HydrophobicContact CG-CB 4.38Å; Y621-M646 VanDerWaalsContact CZ-CB 3.47Å; Y621-R648 WeakPolarHBondContact O-CA 3.47Å
622G81.4Confident81.3Confident12.6667 Ų12.666754 Ų5413%0.13129%0.289CS..THydrogen-bonded Turntrans-91.8-11.6169.900000114.2P227 Q618 Y619 I620 C652P227-G622 WeakPolarHBondContact CG-O 3.45Å; Q618-G622 PolarHBondContact O-N 3.19Å; Y619-G622 WeakPolarHBondContact O-CA 3.37Å; Y619-G622 PolarHBondContact O-N 3.03Å; I620-G622 PolarHBondContact O-N 3.17Å; G622-C652 WeakPolarHBondContact CA-SG 3.22Å
623L83.3Confident80Confident38.3333 Ų38.333354.8 Ų54.820%0.20130%0.302CS..SBendtrans-63.4149.9174.7-62.2174.2000110.7L295 Y619 I620 L625L295-L623 HydrophobicContact CD1-CD1 4.35Å; Y619-L623 HydrophobicContact CE1-CD2 4.5Å; Y619-L623 PolarHBondContact O-N 3.33Å; I620-L623 HydrophobicContact CG2-CD1 4.45Å; I620-L623 VanDerWaalsContact O-CB 3.3Å; I620-L623 WeakPolarHBondContact O-CB 3.42Å; I620-L623 VanDerWaalsContact O-CG 3.29Å; I620-L623 WeakPolarHBondContact O-CG 3.34Å; I620-L623 PolarHBondContact O-N 3.05Å; I620-L623 VanDerWaalsContact O-N 3.14Å; L623-L625 HydrophobicContact CB-CD1 4.24Å; L623-L625 HydrophobicContact CB-CG 4.03Å; L623-L625 HydrophobicContact CD1-CD1 4.3Å; L623-L625 PolarHBondContact O-N 3.27Å
624N76.5Confident78.7Confident68.3333 Ų68.333355.4 Ų55.437%0.36531%0.306SS..  trans-79.851.9-178.9-165.426.6000112.8R294 R648R294-N624 HydrophobicContact CB-CB 4.47Å; R294-N624 WeakPolarHBondContact CD-O 3.18Å; R294-N624 PolarHBondContact NH1-O 2.93Å; N624-R648 PolarHBondContact OD1-NH1 3.32Å; N624-R648 PolarHBondContact OD1-NH2 3.34Å
625L75.8Confident77.3Confident32.3333 Ų32.333359.7 Ų59.717%0.16933%0.333CS..  trans-86.3151.1177.2-62.1175.9000111.1F291 L623 E629 L630 R648F291-L625 HydrophobicContact CD2-CD2 3.94Å; F291-L625 HydrophobicContact CE2-CD2 3.73Å; L623-L625 HydrophobicContact CB-CD1 4.24Å; L623-L625 HydrophobicContact CB-CG 4.03Å; L623-L625 HydrophobicContact CD1-CD1 4.3Å; L623-L625 PolarHBondContact O-N 3.27Å; L625-E629 WeakPolarHBondContact CA-OE2 3.32Å; L625-E629 HydrophobicContact CB-CB 4.27Å; L625-E629 WeakPolarHBondContact CD2-OE2 3.22Å; L625-L630 HydrophobicContact CB-CB 4.04Å; L625-L630 HydrophobicContact CD1-CB 4.18Å; L625-L630 HydrophobicContact CD1-CD2 4.36Å; L625-R648 PolarHBondContact O-NH1 3.15Å
626N73.1Confident75.8Confident79.6667 Ų79.666765.3 Ų65.343%0.42637%0.37SS..  trans-77163.4177.8-73.1-7.4000111.5R294 D628 E629 L630R294-N626 PolarHBondContact NH1-OD1 3.1Å; N626-D628 PolarHBondContact O-N 3.33Å; N626-D628 VanDerWaalsContact O-N 3.11Å; N626-E629 HydrophobicContact CB-CG 4.24Å; N626-E629 PolarHBondContact N-OE2 3.13Å; N626-E629 PolarHBondContact O-N 3.17Å; N626-E629 VanDerWaalsContact O-N 3.11Å; N626-L630 PolarHBondContact O-N 3.37Å
627S69.5Low74.3Confident82.3333 Ų82.333370 Ų7058%0.57640%0.395SS*.THydrogen-bonded Turntrans-50.5-33.5172.541.40000113.4L630 P631S627-L630 CarbonylContact O-C 3.34Å; S627-P631 WeakPolarHBondContact O-CA 3.34Å
628D70.5Confident72.9Confident139.667 Ų139.66769.6 Ų69.675%0.74740%0.402SS*.THydrogen-bonded Turntrans-87.6-18.5-170.7-34.5-29000111.2N626N626-D628 PolarHBondContact O-N 3.33Å; N626-D628 VanDerWaalsContact O-N 3.11Å
629E73.7Confident71.8Confident84.3333 Ų84.333374.8 Ų74.839%0.39443%0.429SS..THydrogen-bonded Turntrans-93-31.1177.3-62.2171.1151.700111.7F291 R294 L625 N626F291-E629 HydrophobicContact CD2-CG 4.45Å; F291-E629 WeakPolarHBondContact CD2-OE1 3.37Å; R294-E629 IonicContact CZ-OE1 3.71Å; R294-E629 IonicContact CZ-OE2 2.61Å; R294-E629 IonicContact NH1-OE1 3.91Å; R294-E629 IonicContact NH1-OE2 2.7Å; R294-E629 PolarHBondContact NH1-OE2 3.06Å; R294-E629 IonicContact NH2-OE1 3.51Å; R294-E629 PolarHBondContact NH2-OE1 3.39Å; R294-E629 IonicContact NH2-OE2 3.09Å; R294-E629 PolarHBondContact NH2-OE2 3.01Å; L625-E629 WeakPolarHBondContact CA-OE2 3.32Å; L625-E629 HydrophobicContact CB-CB 4.27Å; L625-E629 WeakPolarHBondContact CD2-OE2 3.22Å; N626-E629 HydrophobicContact CB-CG 4.24Å; N626-E629 PolarHBondContact N-OE2 3.13Å; N626-E629 PolarHBondContact O-N 3.17Å; N626-E629 VanDerWaalsContact O-N 3.11Å
630L73.8Confident70.8Confident38.3333 Ų38.333375.9 Ų75.920%0.20144%0.436CS..SBendtrans-138.979.8178.8-156.769.8000110Y621 L625 N626 S627 Q632Y621-L630 HydrophobicContact CD1-CD2 3.58Å; Y621-L630 HydrophobicContact CD1-CG 4.22Å; Y621-L630 HydrophobicContact CD2-CD2 4.14Å; Y621-L630 HydrophobicContact CE1-CD1 4.16Å; Y621-L630 HydrophobicContact CE1-CD2 3.54Å; Y621-L630 VanDerWaalsContact CE1-CD2 3.47Å; Y621-L630 HydrophobicContact CE1-CG 3.66Å; Y621-L630 HydrophobicContact CE2-CD1 4.18Å; Y621-L630 HydrophobicContact CE2-CD2 4.1Å; Y621-L630 HydrophobicContact CE2-CG 4.43Å; Y621-L630 HydrophobicContact CG-CD2 3.88Å; L625-L630 HydrophobicContact CB-CB 4.04Å; L625-L630 HydrophobicContact CD1-CB 4.18Å; L625-L630 HydrophobicContact CD1-CD2 4.36Å; N626-L630 PolarHBondContact O-N 3.37Å; S627-L630 CarbonylContact O-C 3.34Å; L630-Q632 PolarHBondContact O-N 3.32Å
631P69.4Low70.1Confident55.6667 Ų55.666773.3 Ų73.336%0.36142%0.423SS..  trans-63.7138.5-173.824.3-34000112.4S627 A633 V634 L641S627-P631 WeakPolarHBondContact O-CA 3.34Å; P631-A633 VanDerWaalsContact C-N 3.33Å; P631-V634 HydrophobicContact CB-CG2 3.98Å; P631-V634 HydrophobicContact CG-CG2 3.69Å; P631-L641 VanDerWaalsContact O-CD1 3.23Å; P631-L641 WeakPolarHBondContact O-CD1 3.27Å
632Q67Low69.6Low84.3333 Ų84.333373.4 Ų73.439%0.39443%0.427SS..SBendtrans-93.5-13.1176.8-60.5-176.320.100112.8L630 L641 S642L630-Q632 PolarHBondContact O-N 3.32Å; Q632-L641 WeakPolarHBondContact O-CB 3.26Å; Q632-L641 PolarHBondContact O-N 3.23Å; Q632-S642 PolarHBondContact O-N 2.9Å
633A66.3Low69.3Low58.3333 Ų58.333373.9 Ų73.948%0.48243%0.426SS..BIsolated β-bridgetrans-140.5140.4169.200000108.6P631P631-A633 VanDerWaalsContact C-N 3.33Å
634V64.7Low69.1Low79 Ų7975.3 Ų75.348%0.47943%0.433SS..  trans-106.872.4-175.6176.30000110.6P631 G638 L641P631-V634 HydrophobicContact CB-CG2 3.98Å; P631-V634 HydrophobicContact CG-CG2 3.69Å; V634-G638 VanDerWaalsContact O-CA 3.26Å; V634-G638 WeakPolarHBondContact O-CA 3.43Å; V634-L641 HydrophobicContact CB-CD1 4.01Å; V634-L641 HydrophobicContact CG2-CD1 3.57Å; V634-L641 VanDerWaalsContact CG2-CD1 3.48Å; V634-L641 HydrophobicContact CG2-CD2 3.91Å; V634-L641 HydrophobicContact CG2-CG 3.97Å
635T61.5Low69.1Low102.333 Ų102.33372.9 Ų72.963%0.62843%0.425SS*.SBendtrans84.2163.6175.647.80000112.9D637 G638T635-D637 VanDerWaalsContact C-N 3.3Å; T635-D637 PolarHBondContact O-N 3.32Å; T635-G638 WeakPolarHBondContact O-CA 3.22Å; T635-G638 PolarHBondContact O-N 3.33Å; T635-G638 WeakPolarHBondContact OG1-CA 3.39Å; T635-G638 PolarHBondContact OG1-N 3.36Å
636P60.4Low69.2Low127 Ų12773.1 Ų73.183%0.82543%0.425SS*.THydrogen-bonded Turntrans-62.8-29.3-172.56.4-11.5000114.9G638P636-G638 VanDerWaalsContact C-N 3.27Å; P636-G638 PolarHBondContact O-N 3.09Å
637D58.4Low69.3Low162.333 Ų162.33374.4 Ų74.487%0.86843%0.429SS*.THydrogen-bonded Turntrans-92.424-179.4-56.5-62.7000113.8T635 I639T635-D637 VanDerWaalsContact C-N 3.3Å; T635-D637 PolarHBondContact O-N 3.32Å; D637-I639 PolarHBondContact O-N 2.84Å
638G59.9Low69.5Low36.3333 Ų36.333374.5 Ų74.538%0.37542%0.417SS..SBendtrans-105139.1176.400000117V634 T635 P636 Q640V634-G638 VanDerWaalsContact O-CA 3.26Å; V634-G638 WeakPolarHBondContact O-CA 3.43Å; T635-G638 WeakPolarHBondContact O-CA 3.22Å; T635-G638 PolarHBondContact O-N 3.33Å; T635-G638 WeakPolarHBondContact OG1-CA 3.39Å; T635-G638 PolarHBondContact OG1-N 3.36Å; P636-G638 VanDerWaalsContact C-N 3.27Å; P636-G638 PolarHBondContact O-N 3.09Å; G638-Q640 PolarHBondContact O-N 3.26Å; G638-Q640 VanDerWaalsContact O-N 3.14Å
639I62.4Low69.6Low130.333 Ų130.33369.4 Ų69.467%0.66839%0.392SS*.  trans-74.7114.8175.4-57.1174.7000110.2D637 L641D637-I639 PolarHBondContact O-N 2.84Å; I639-L641 PolarHBondContact O-N 3.06Å; I639-L641 VanDerWaalsContact O-N 3.13Å
640Q67.9Low69.4Low73.6667 Ų73.666772.7 Ų72.734%0.34441%0.412SS..BIsolated β-bridgetrans-71.3113.5171.1-66.6-179.28.800109.3G638 S642 E643 N852G638-Q640 PolarHBondContact O-N 3.26Å; G638-Q640 VanDerWaalsContact O-N 3.14Å; Q640-S642 VanDerWaalsContact C-N 3.29Å; Q640-S642 PolarHBondContact O-N 2.91Å; Q640-E643 HydrophobicContact CB-CG 4.19Å; Q640-E643 PolarHBondContact O-N 3.21Å; Q640-E643 VanDerWaalsContact O-N 3.12Å; Q640-N852 PolarHBondContact OE1-ND2 3.02Å; Q640-N852 VanDerWaalsContact OE1-ND2 3.13Å
641L73.6Confident69.6Low29.6667 Ų29.666778.1 Ų78.116%0.15544%0.436CS..Hα-helixtrans-69.4-25.9-174.9-64.8164.9000111.7P631 Q632 V634 I639 E643 L644 G645 M646P631-L641 VanDerWaalsContact O-CD1 3.23Å; P631-L641 WeakPolarHBondContact O-CD1 3.27Å; Q632-L641 WeakPolarHBondContact O-CB 3.26Å; Q632-L641 PolarHBondContact O-N 3.23Å; V634-L641 HydrophobicContact CB-CD1 4.01Å; V634-L641 HydrophobicContact CG2-CD1 3.57Å; V634-L641 VanDerWaalsContact CG2-CD1 3.48Å; V634-L641 HydrophobicContact CG2-CD2 3.91Å; V634-L641 HydrophobicContact CG2-CG 3.97Å; I639-L641 PolarHBondContact O-N 3.06Å; I639-L641 VanDerWaalsContact O-N 3.13Å; L641-E643 VanDerWaalsContact C-N 3.29Å; L641-E643 PolarHBondContact O-N 3.11Å; L641-L644 WeakPolarHBondContact O-CB 3.4Å; L641-L644 PolarHBondContact O-N 3.41Å; L641-L644 VanDerWaalsContact O-N 3.09Å; L641-G645 PolarHBondContact O-N 3.25Å; L641-M646 CarbonylContact C-O 3.59Å; L641-M646 HydrophobicContact CB-CB 4.17Å; L641-M646 HydrophobicContact CB-CE 4.04Å; L641-M646 HydrophobicContact CD1-CE 4.43Å; L641-M646 HydrophobicContact CD2-CE 3.63Å; L641-M646 VanDerWaalsContact CD2-CE 3.43Å; L641-M646 HydrophobicContact CG-CE 4.28Å; L641-M646 WeakPolarHBondContact O-CA 3.42Å; L641-M646 WeakPolarHBondContact O-CB 3.32Å; L641-M646 PolarHBondContact O-N 3.23Å
642S72.1Confident70.1Confident25.6667 Ų25.666776.6 Ų76.618%0.17943%0.426CS..Hα-helixtrans-50.8-43.7168.351.20000112.7Q632 Q640 L644 G645Q632-S642 PolarHBondContact O-N 2.9Å; Q640-S642 VanDerWaalsContact C-N 3.29Å; Q640-S642 PolarHBondContact O-N 2.91Å; S642-L644 VanDerWaalsContact C-N 3.29Å; S642-L644 PolarHBondContact O-N 3.36Å; S642-G645 WeakPolarHBondContact O-CA 3.44Å; S642-G645 PolarHBondContact O-N 3.13Å
643E75.9Confident70.9Confident24 Ų2476 Ų7611%0.11243%0.429CS..Hα-helixtrans-68.8-26.7179.4-61.1-139.512300113.5R576 S577 W578 Q640 L641 G645 F851 N852R576-E643 IonicContact NH1-OE1 2.69Å; S577-E643 CarbonylContact C-O 3.28Å; S577-E643 WeakPolarHBondContact CA-O 3.31Å; W578-E643 PolarHBondContact N-O 3.15Å; Q640-E643 HydrophobicContact CB-CG 4.19Å; Q640-E643 PolarHBondContact O-N 3.21Å; Q640-E643 VanDerWaalsContact O-N 3.12Å; L641-E643 VanDerWaalsContact C-N 3.29Å; L641-E643 PolarHBondContact O-N 3.11Å; E643-G645 PolarHBondContact O-N 3.31Å; E643-F851 HydrophobicContact CB-CD1 4.07Å; E643-F851 HydrophobicContact CB-CE1 4.35Å; E643-F851 HydrophobicContact CG-CD1 4.3Å; E643-F851 VanDerWaalsContact OE1-CA 3.26Å; E643-F851 WeakPolarHBondContact OE1-CA 3.44Å; E643-F851 WeakPolarHBondContact OE1-CB 3.37Å; E643-F851 WeakPolarHBondContact OE1-CD1 3.34Å; E643-N852 PolarHBondContact OE1-N 3.24Å
644L79.8Confident71.8Confident67.3333 Ų67.333375.4 Ų75.435%0.35343%0.428SS..Hα-helixtrans-67.7-18172.4-153.976.8000111.7W578 L579 L641 S642 M646W578-L644 HydrophobicContact CB-CD1 4.2Å; L579-L644 WeakPolarHBondContact CB-O 3.23Å; L579-L644 VanDerWaalsContact CD1-O 3.32Å; L579-L644 WeakPolarHBondContact CD1-O 3.3Å; L579-L644 VanDerWaalsContact CG-O 3.23Å; L579-L644 WeakPolarHBondContact CG-O 3.41Å; L579-L644 PolarHBondContact N-O 3.17Å; L641-L644 WeakPolarHBondContact O-CB 3.4Å; L641-L644 PolarHBondContact O-N 3.41Å; L641-L644 VanDerWaalsContact O-N 3.09Å; S642-L644 VanDerWaalsContact C-N 3.29Å; S642-L644 PolarHBondContact O-N 3.36Å; L644-M646 HydrophobicContact CD2-CE 3.7Å; L644-M646 HydrophobicContact CD2-SD 4.34Å
645G75.6Confident72.7Confident18 Ų1872.1 Ų72.119%0.18641%0.409CS..THydrogen-bonded Turntrans103.66.4-17200000113.1L641 S642 E643 Q647L641-G645 PolarHBondContact O-N 3.25Å; S642-G645 WeakPolarHBondContact O-CA 3.44Å; S642-G645 PolarHBondContact O-N 3.13Å; E643-G645 PolarHBondContact O-N 3.31Å; G645-Q647 VanDerWaalsContact C-N 3.3Å; G645-Q647 PolarHBondContact O-N 3.15Å
646M77.5Confident74Confident37 Ų3767.9 Ų67.918%0.18238%0.383CS..  trans-93.765177.1-71.8-166.6-55.700109.6I617 Y621 L641 L644I617-M646 HydrophobicContact CG2-CG 3.86Å; I617-M646 HydrophobicContact CG2-SD 4.38Å; Y621-M646 VanDerWaalsContact CD1-C 3.5Å; Y621-M646 HydrophobicContact CD1-CB 4.2Å; Y621-M646 WeakPolarHBondContact CD1-O 3.41Å; Y621-M646 HydrophobicContact CD2-CB 4.13Å; Y621-M646 HydrophobicContact CD2-CG 4.13Å; Y621-M646 HydrophobicContact CE1-CB 3.76Å; Y621-M646 VanDerWaalsContact CE1-O 3.3Å; Y621-M646 WeakPolarHBondContact CE1-O 3.29Å; Y621-M646 HydrophobicContact CE2-CB 3.69Å; Y621-M646 HydrophobicContact CE2-CG 3.65Å; Y621-M646 VanDerWaalsContact CE2-CG 3.46Å; Y621-M646 HydrophobicContact CE2-SD 3.64Å; Y621-M646 VanDerWaalsContact CE2-SD 3.51Å; Y621-M646 HydrophobicContact CG-CB 4.38Å; Y621-M646 VanDerWaalsContact CZ-CB 3.47Å; L641-M646 CarbonylContact C-O 3.59Å; L641-M646 HydrophobicContact CB-CB 4.17Å; L641-M646 HydrophobicContact CB-CE 4.04Å; L641-M646 HydrophobicContact CD1-CE 4.43Å; L641-M646 HydrophobicContact CD2-CE 3.63Å; L641-M646 VanDerWaalsContact CD2-CE 3.43Å; L641-M646 HydrophobicContact CG-CE 4.28Å; L641-M646 WeakPolarHBondContact O-CA 3.42Å; L641-M646 WeakPolarHBondContact O-CB 3.32Å; L641-M646 PolarHBondContact O-N 3.23Å; L644-M646 HydrophobicContact CD2-CE 3.7Å; L644-M646 HydrophobicContact CD2-SD 4.34Å
647Q74.7Confident75.4Confident107 Ų10764.2 Ų64.250%0.536%0.363SS..  trans-117.6136.5-179.8-170.1180-5.400110.8Q618 G645 S649Q618-Q647 PolarHBondContact NE2-O 3.17Å; G645-Q647 VanDerWaalsContact C-N 3.3Å; G645-Q647 PolarHBondContact O-N 3.15Å; Q647-S649 PolarHBondContact O-N 3.35Å
648R74.9Confident76.9Confident84.6667 Ų84.666760.3 Ų60.332%0.31934%0.342SS..  trans-72.9126.5169-176.8173176.3158.91.1109.4Y621 N624 L625Y621-R648 WeakPolarHBondContact O-CA 3.47Å; N624-R648 PolarHBondContact OD1-NH1 3.32Å; N624-R648 PolarHBondContact OD1-NH2 3.34Å; L625-R648 PolarHBondContact O-NH1 3.15Å
649S71.7Confident78.4Confident32.3333 Ų32.333358.8 Ų58.823%0.22633%0.325CS..  trans-98.5135.9179.683.30000111.5Q647 H651 C652Q647-S649 PolarHBondContact O-N 3.35Å; S649-H651 PolarHBondContact O-N 3.12Å; S649-H651 VanDerWaalsContact O-N 3.13Å; S649-H651 PolarHBondContact OG-N 3.02Å; S649-C652 PolarHBondContact O-N 3.37Å; S649-C652 PolarHBondContact O-SG 3.01Å
650D69.7Low79.8Confident152.333 Ų152.33354 Ų5482%0.81530%0.3SS*.THydrogen-bonded Turntrans-60.5-26.2-179.8-54.3-51.8000112.8
651H77.6Confident80.9Confident153.667 Ų153.66752.1 Ų52.171%0.71130%0.3SS*.THydrogen-bonded Turntrans-125.358.7-179.3-64.1-11.5000111.2S649 V653 G654 A655S649-H651 PolarHBondContact O-N 3.12Å; S649-H651 VanDerWaalsContact O-N 3.13Å; S649-H651 PolarHBondContact OG-N 3.02Å; H651-V653 PolarHBondContact O-N 3.39Å; H651-V653 VanDerWaalsContact O-N 3.08Å; H651-G654 PolarHBondContact O-N 3Å; H651-A655 PolarHBondContact O-N 3.09Å; H651-A655 VanDerWaalsContact O-N 3.09Å
652C80.4Confident81.8Confident22.6667 Ų22.666752.1 Ų52.115%0.15330%0.299CS..Hα-helixtrans-42.7-45.2-178.9-69.20000114.3P227 G622 S649 G654 A655 L656P227-C652 HydrophobicContact CG-CB 4.44Å; G622-C652 WeakPolarHBondContact CA-SG 3.22Å; S649-C652 PolarHBondContact O-N 3.37Å; S649-C652 PolarHBondContact O-SG 3.01Å; C652-G654 PolarHBondContact O-N 3.05Å; C652-A655 PolarHBondContact O-N 2.9Å; C652-L656 VanDerWaalsContact O-CB 3.27Å; C652-L656 WeakPolarHBondContact O-CB 3.45Å; C652-L656 WeakPolarHBondContact O-CG 3.38Å; C652-L656 PolarHBondContact O-N 3.25Å
653V84Confident82.8Confident73 Ų7351.4 Ų51.444%0.44229%0.293SS..Hα-helixtrans-61.8-45-180-176.70000111.8I224 T225 V321 H651 A657I224-V653 HydrophobicContact CG2-CB 4.28Å; I224-V653 HydrophobicContact CG2-CG1 4.02Å; I224-V653 HydrophobicContact CG2-CG2 4.45Å; T225-V653 WeakPolarHBondContact O-CG2 3.45Å; V321-V653 HydrophobicContact CG1-CG2 3.77Å; H651-V653 PolarHBondContact O-N 3.39Å; H651-V653 VanDerWaalsContact O-N 3.08Å; V653-A657 WeakPolarHBondContact O-CB 3.32Å; V653-A657 PolarHBondContact O-N 3.33Å
654G84.2Confident83.5Confident45.3333 Ų45.333353.2 Ų53.247%0.46730%0.303SS..Hα-helixtrans-67.4-39.6178.500000112.2H651 C652 L658H651-G654 PolarHBondContact O-N 3Å; C652-G654 PolarHBondContact O-N 3.05Å; G654-L658 WeakPolarHBondContact O-CB 3.2Å; G654-L658 PolarHBondContact O-N 3.01Å; G654-L658 VanDerWaalsContact O-N 3.14Å
655A85.6Confident84Confident10 Ų1051 Ų518%0.08329%0.293CS..Hα-helixtrans-63-50.5176.400000112Y575 H651 C652 A657 L658 Q659Y575-A655 HydrophobicContact CE1-CB 4.07Å; Y575-A655 WeakPolarHBondContact OH-CA 3.49Å; Y575-A655 PolarHBondContact OH-O 3.07Å; Y575-A655 VanDerWaalsContact OH-O 3.09Å; H651-A655 PolarHBondContact O-N 3.09Å; H651-A655 VanDerWaalsContact O-N 3.09Å; C652-A655 PolarHBondContact O-N 2.9Å; A655-A657 PolarHBondContact O-N 2.86Å; A655-L658 PolarHBondContact O-N 3.36Å; A655-Q659 WeakPolarHBondContact O-CG 3.13Å; A655-Q659 PolarHBondContact O-N 2.96Å; A655-Q659 VanDerWaalsContact O-N 3.12Å
656L88.3Confident84.8Confident13.6667 Ų13.666750.2 Ų50.27%0.07228%0.284CS..Hα-helixtrans-66-39.1179.8-98.8157.4000112.2I224 I615 Q618 Y619 C652 L658 Q659 I660I224-L656 HydrophobicContact CG1-CB 4.49Å; I224-L656 HydrophobicContact CG2-CB 3.83Å; I224-L656 HydrophobicContact CG2-CD1 4.23Å; I615-L656 HydrophobicContact CG2-CD2 4.41Å; Q618-L656 HydrophobicContact CB-CD2 4.13Å; Q618-L656 HydrophobicContact CG-CD2 3.91Å; Q618-L656 HydrophobicContact CG-CG 4.48Å; Y619-L656 HydrophobicContact CD2-CD1 3.83Å; Y619-L656 HydrophobicContact CD2-CD2 4.46Å; Y619-L656 HydrophobicContact CE2-CD1 4.37Å; Y619-L656 HydrophobicContact CG-CD1 4.36Å; C652-L656 VanDerWaalsContact O-CB 3.27Å; C652-L656 WeakPolarHBondContact O-CB 3.45Å; C652-L656 WeakPolarHBondContact O-CG 3.38Å; C652-L656 PolarHBondContact O-N 3.25Å; L656-L658 VanDerWaalsContact C-N 3.35Å; L656-L658 PolarHBondContact O-N 3.02Å; L656-Q659 PolarHBondContact O-N 3.23Å; L656-I660 HydrophobicContact CD2-CD1 3.62Å; L656-I660 HydrophobicContact CD2-CG1 4.34Å; L656-I660 WeakPolarHBondContact O-CB 3.41Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.38Å; L656-I660 PolarHBondContact O-N 3.14Å
657A89.5Confident85.5Confident50 Ų5051.3 Ų51.341%0.41329%0.286SS..Hα-helixtrans-61.2-41.7175.900000112.5V653 A655 I660 G661V653-A657 WeakPolarHBondContact O-CB 3.32Å; V653-A657 PolarHBondContact O-N 3.33Å; A655-A657 PolarHBondContact O-N 2.86Å; A657-I660 PolarHBondContact O-N 3.06Å; A657-G661 PolarHBondContact O-N 2.86Å
658L90Very high86Confident79.3333 Ų79.333349.4 Ų49.442%0.41528%0.28SS..Hα-helixtrans-70.2-39177.8-176.961.5000112.2V574 Y575 G654 A655 L656 I660 G661 F662V574-L658 HydrophobicContact CG1-CD2 3.96Å; Y575-L658 WeakPolarHBondContact OH-CB 3.47Å; G654-L658 WeakPolarHBondContact O-CB 3.2Å; G654-L658 PolarHBondContact O-N 3.01Å; G654-L658 VanDerWaalsContact O-N 3.14Å; A655-L658 PolarHBondContact O-N 3.36Å; L656-L658 VanDerWaalsContact C-N 3.35Å; L656-L658 PolarHBondContact O-N 3.02Å; L658-I660 VanDerWaalsContact C-N 3.32Å; L658-I660 PolarHBondContact O-N 2.98Å; L658-G661 WeakPolarHBondContact O-CA 3.41Å; L658-G661 PolarHBondContact O-N 3.31Å; L658-G661 VanDerWaalsContact O-N 3.14Å; L658-F662 HydrophobicContact CD1-CE2 4.17Å; L658-F662 HydrophobicContact CD1-CZ 4.17Å; L658-F662 HydrophobicContact CD2-CE2 4.32Å; L658-F662 HydrophobicContact CG-CE2 3.95Å; L658-F662 HydrophobicContact CG-CZ 4.24Å; L658-F662 WeakPolarHBondContact O-CD2 3.31Å; L658-F662 PolarHBondContact O-N 3.05Å; L658-F662 VanDerWaalsContact O-N 3.08Å
659Q91.8Very high86.7Confident5 Ų545.4 Ų45.42%0.02327%0.265CS..Hα-helixtrans-62.2-41172.8-70.7-179.54.400112.1W571 Y575 I615 A655 L656 G661 F662 L663W571-Q659 HydrophobicContact CH2-CB 3.96Å; W571-Q659 HydrophobicContact CH2-CG 4.39Å; W571-Q659 HydrophobicContact CZ2-CB 3.94Å; W571-Q659 HydrophobicContact CZ2-CG 3.86Å; W571-Q659 HydrophobicContact CZ3-CB 4.42Å; W571-Q659 WeakPolarHBondContact CZ3-O 3.41Å; Y575-Q659 HydrophobicContact CD2-CG 3.84Å; Y575-Q659 HydrophobicContact CE1-CG 4.49Å; Y575-Q659 HydrophobicContact CE2-CG 3.4Å; Y575-Q659 VanDerWaalsContact CE2-CG 3.42Å; I615-Q659 HydrophobicContact CD1-CB 4.16Å; I615-Q659 HydrophobicContact CG1-CB 3.95Å; A655-Q659 WeakPolarHBondContact O-CG 3.13Å; A655-Q659 PolarHBondContact O-N 2.96Å; A655-Q659 VanDerWaalsContact O-N 3.12Å; L656-Q659 PolarHBondContact O-N 3.23Å; Q659-G661 VanDerWaalsContact C-N 3.31Å; Q659-G661 PolarHBondContact O-N 3.35Å; Q659-F662 PolarHBondContact O-N 3.28Å; Q659-L663 PolarHBondContact O-N 3.06Å
660I91.8Very high87.6Confident30 Ų3044.7 Ų44.715%0.15426%0.258CS..Hα-helixtrans-64.1-36.8172.6-71.3168.8000111.1I224 L235 F238 I615 L656 A657 L658 F662 L663 I664I224-I660 HydrophobicContact CD1-CD1 3.61Å; I224-I660 HydrophobicContact CG1-CD1 4.04Å; L235-I660 HydrophobicContact CD1-CD1 4.01Å; F238-I660 HydrophobicContact CE1-CD1 4.21Å; F238-I660 HydrophobicContact CE1-CG1 4.41Å; F238-I660 HydrophobicContact CE1-CG2 3.67Å; F238-I660 HydrophobicContact CZ-CG2 3.74Å; I615-I660 HydrophobicContact CD1-CG1 4.03Å; L656-I660 HydrophobicContact CD2-CD1 3.62Å; L656-I660 HydrophobicContact CD2-CG1 4.34Å; L656-I660 WeakPolarHBondContact O-CB 3.41Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.38Å; L656-I660 PolarHBondContact O-N 3.14Å; A657-I660 PolarHBondContact O-N 3.06Å; L658-I660 VanDerWaalsContact C-N 3.32Å; L658-I660 PolarHBondContact O-N 2.98Å; I660-F662 VanDerWaalsContact C-N 3.33Å; I660-F662 PolarHBondContact O-N 3.17Å; I660-L663 WeakPolarHBondContact O-CB 3.48Å; I660-L663 PolarHBondContact O-N 3.01Å; I660-L663 VanDerWaalsContact O-N 3.13Å; I660-I664 HydrophobicContact CG2-CD1 4.3Å; I660-I664 WeakPolarHBondContact O-CG1 3.34Å; I660-I664 PolarHBondContact O-N 3.35Å
661G90.5Very high88.4Confident33 Ų3340.4 Ų40.434%0.3423%0.23SC..Hα-helixtrans-55.8-44.3171.200000113.3A657 L658 Q659A657-G661 PolarHBondContact O-N 2.86Å; L658-G661 WeakPolarHBondContact O-CA 3.41Å; L658-G661 PolarHBondContact O-N 3.31Å; L658-G661 VanDerWaalsContact O-N 3.14Å; Q659-G661 VanDerWaalsContact C-N 3.31Å; Q659-G661 PolarHBondContact O-N 3.35Å
662F92.7Very high88.7Confident29.3333 Ų29.333334 Ų3413%0.12920%0.202CC..Hα-helixtrans-69-38.3173.2-62-48.4000112.6A567 A570 W571 V574 Y575 L658 Q659 I660 I664 C665 F666A567-F662 HydrophobicContact CB-CB 4.45Å; A567-F662 HydrophobicContact CB-CD1 4.01Å; A570-F662 HydrophobicContact CB-CE1 3.75Å; A570-F662 HydrophobicContact CB-CZ 3.91Å; W571-F662 HydrophobicContact CB-CD2 3.84Å; W571-F662 HydrophobicContact CB-CE2 4.15Å; W571-F662 HydrophobicContact CB-CG 4.38Å; W571-F662 HydrophobicContact CD2-CB 4.44Å; W571-F662 HydrophobicContact CD2-CD2 4.11Å; W571-F662 HydrophobicContact CE3-CB 3.48Å; W571-F662 VanDerWaalsContact CE3-CB 3.48Å; W571-F662 AromaticContact CE3-CD2 3.95Å; W571-F662 HydrophobicContact CE3-CD2 3.95Å; W571-F662 HydrophobicContact CE3-CG 4.14Å; W571-F662 HydrophobicContact CG-CD2 4.11Å; W571-F662 HydrophobicContact CZ3-CB 3.94Å; V574-F662 HydrophobicContact CG2-CZ 4.48Å; Y575-F662 HydrophobicContact CE2-CE2 4.33Å; L658-F662 HydrophobicContact CD1-CE2 4.17Å; L658-F662 HydrophobicContact CD1-CZ 4.17Å; L658-F662 HydrophobicContact CD2-CE2 4.32Å; L658-F662 HydrophobicContact CG-CE2 3.95Å; L658-F662 HydrophobicContact CG-CZ 4.24Å; L658-F662 WeakPolarHBondContact O-CD2 3.31Å; L658-F662 PolarHBondContact O-N 3.05Å; L658-F662 VanDerWaalsContact O-N 3.08Å; Q659-F662 PolarHBondContact O-N 3.28Å; I660-F662 VanDerWaalsContact C-N 3.33Å; I660-F662 PolarHBondContact O-N 3.17Å; F662-I664 VanDerWaalsContact C-N 3.29Å; F662-I664 PolarHBondContact O-N 3.34Å; F662-C665 VanDerWaalsContact O-CB 3.29Å; F662-C665 WeakPolarHBondContact O-CB 3.42Å; F662-C665 PolarHBondContact O-N 3.04Å; F662-C665 VanDerWaalsContact O-N 3.1Å; F662-F666 HydrophobicContact CB-CZ 4.48Å; F662-F666 PolarHBondContact O-N 3.4Å
663L93.2Very high89.1Confident11.6667 Ų11.666734.4 Ų34.46%0.06120%0.201CC..Hα-helixtrans-60.5-35.3177.4-177.664.5000112.6L239 V608 A611 I612 I615 Q659 I660 C665 F666 W667L239-L663 HydrophobicContact CD2-CD2 3.58Å; V608-L663 HydrophobicContact CG1-CD1 4.46Å; A611-L663 HydrophobicContact CB-CD1 3.83Å; I612-L663 HydrophobicContact CG1-CD1 4.22Å; I612-L663 HydrophobicContact CG1-CD2 4.17Å; I615-L663 HydrophobicContact CD1-CB 4.09Å; I615-L663 HydrophobicContact CD1-CD1 4.47Å; I615-L663 HydrophobicContact CD1-CD2 3.75Å; I615-L663 HydrophobicContact CD1-CG 4.39Å; Q659-L663 PolarHBondContact O-N 3.06Å; I660-L663 WeakPolarHBondContact O-CB 3.48Å; I660-L663 PolarHBondContact O-N 3.01Å; I660-L663 VanDerWaalsContact O-N 3.13Å; L663-C665 VanDerWaalsContact C-N 3.27Å; L663-C665 PolarHBondContact O-N 2.96Å; L663-F666 HydrophobicContact CD1-CB 4.39Å; L663-F666 HydrophobicContact CD1-CD2 4.23Å; L663-F666 WeakPolarHBondContact O-CA 3.43Å; L663-F666 WeakPolarHBondContact O-CB 3.37Å; L663-F666 PolarHBondContact O-N 3.04Å; L663-F666 VanDerWaalsContact O-N 3.09Å; L663-W667 HydrophobicContact CD2-CD2 4.49Å; L663-W667 HydrophobicContact CD2-CH2 3.53Å; L663-W667 HydrophobicContact CD2-CZ2 3.37Å; L663-W667 HydrophobicContact CD2-CZ3 4.16Å; L663-W667 HydrophobicContact CG-CD2 3.98Å; L663-W667 HydrophobicContact CG-CE3 4.16Å; L663-W667 HydrophobicContact CG-CH2 3.96Å; L663-W667 HydrophobicContact CG-CZ2 3.8Å; L663-W667 HydrophobicContact CG-CZ3 4.14Å; L663-W667 WeakPolarHBondContact O-CB 3.5Å; L663-W667 PolarHBondContact O-N 3.26Å
664I90.7Very high89.2Confident62 Ų6233.1 Ų33.132%0.31819%0.193SC..Hα-helixtrans-57-41.2173.9-68.7163.7000111.1I660 F662 F666 W667 L668I660-I664 HydrophobicContact CG2-CD1 4.3Å; I660-I664 WeakPolarHBondContact O-CG1 3.34Å; I660-I664 PolarHBondContact O-N 3.35Å; F662-I664 VanDerWaalsContact C-N 3.29Å; F662-I664 PolarHBondContact O-N 3.34Å; I664-F666 VanDerWaalsContact C-N 3.34Å; I664-F666 PolarHBondContact O-N 3.05Å; I664-W667 HydrophobicContact CG1-CE3 4.08Å; I664-W667 HydrophobicContact CG1-CZ3 4.14Å; I664-W667 PolarHBondContact O-N 3.06Å; I664-L668 HydrophobicContact CG2-CD1 4.14Å; I664-L668 HydrophobicContact CG2-CG 4.45Å; I664-L668 VanDerWaalsContact O-CG 3.31Å; I664-L668 WeakPolarHBondContact O-CG 3.25Å; I664-L668 PolarHBondContact O-N 3.17Å
665C89.9Confident89.1Confident21 Ų2135.6 Ų35.614%0.14219%0.193CC..Hα-helixtrans-63.9-31176.2-61.10000112.4L563 T564 A567 F662 L663 T669L563-C665 HydrophobicContact CG-CB 4.37Å; T564-C665 PolarHBondContact OG1-O 2.96Å; A567-C665 HydrophobicContact CB-CB 3.96Å; F662-C665 VanDerWaalsContact O-CB 3.29Å; F662-C665 WeakPolarHBondContact O-CB 3.42Å; F662-C665 PolarHBondContact O-N 3.04Å; F662-C665 VanDerWaalsContact O-N 3.1Å; L663-C665 VanDerWaalsContact C-N 3.27Å; L663-C665 PolarHBondContact O-N 2.96Å; C665-T669 PolarHBondContact O-N 3.18Å
666F92.9Very high88.8Confident1.66667 Ų1.6666737.1 Ų37.11%0.00720%0.199CC..Hα-helixtrans-77.4-42176.9-52.2-18.5000111.1T564 A567 M568 W571 I607 V608 A611 F662 L663 I664 L668 T669 L670T564-F666 HydrophobicContact CG2-CD1 3.66Å; T564-F666 HydrophobicContact CG2-CE1 4.17Å; A567-F666 HydrophobicContact CB-CE1 3.79Å; A567-F666 HydrophobicContact CB-CZ 4.47Å; M568-F666 HydrophobicContact CB-CE1 4.48Å; M568-F666 HydrophobicContact CB-CZ 4.4Å; M568-F666 HydrophobicContact CG-CD1 4.47Å; M568-F666 HydrophobicContact CG-CE1 3.53Å; M568-F666 HydrophobicContact CG-CE2 4.45Å; M568-F666 HydrophobicContact CG-CZ 3.51Å; W571-F666 AromaticContact CE3-CE2 3.77Å; W571-F666 HydrophobicContact CE3-CE2 3.77Å; W571-F666 AromaticContact CE3-CZ 3.98Å; W571-F666 HydrophobicContact CE3-CZ 4.01Å; W571-F666 HydrophobicContact CZ3-CD2 4.48Å; W571-F666 AromaticContact CZ3-CE2 3.75Å; W571-F666 HydrophobicContact CZ3-CE2 3.75Å; W571-F666 HydrophobicContact CZ3-CZ 4.42Å; I607-F666 HydrophobicContact CG2-CB 4.39Å; I607-F666 HydrophobicContact CG2-CD1 4.25Å; I607-F666 HydrophobicContact CG2-CD2 3.85Å; I607-F666 HydrophobicContact CG2-CE1 4.43Å; I607-F666 HydrophobicContact CG2-CE2 4.16Å; I607-F666 HydrophobicContact CG2-CG 3.92Å; I607-F666 HydrophobicContact CG2-CZ 4.4Å; V608-F666 HydrophobicContact CG2-CB 3.64Å; A611-F666 HydrophobicContact CB-CD2 3.63Å; A611-F666 HydrophobicContact CB-CE2 3.68Å; F662-F666 HydrophobicContact CB-CZ 4.48Å; F662-F666 PolarHBondContact O-N 3.4Å; L663-F666 HydrophobicContact CD1-CB 4.39Å; L663-F666 HydrophobicContact CD1-CD2 4.23Å; L663-F666 WeakPolarHBondContact O-CA 3.43Å; L663-F666 WeakPolarHBondContact O-CB 3.37Å; L663-F666 PolarHBondContact O-N 3.04Å; L663-F666 VanDerWaalsContact O-N 3.09Å; I664-F666 VanDerWaalsContact C-N 3.34Å; I664-F666 PolarHBondContact O-N 3.05Å; F666-L668 VanDerWaalsContact C-N 3.34Å; F666-L668 PolarHBondContact O-N 3.34Å; F666-T669 PolarHBondContact O-N 3.29Å; F666-L670 PolarHBondContact O-N 3.18Å
667W90.8Very high88.6Confident59 Ų5942.6 Ų42.622%0.22322%0.219CC..Hα-helixtrans-62.4-38.3175.2-99.3-11.9000112.6F238 L239 C242 T243 W245 A246 L663 I664 T669 L670 R671F238-W667 HydrophobicContact CD1-CH2 4.43Å; F238-W667 AromaticContact CE1-CH2 3.73Å; F238-W667 HydrophobicContact CE1-CH2 3.73Å; F238-W667 HydrophobicContact CE1-CZ3 4.16Å; F238-W667 AromaticContact CZ-CH2 3.89Å; F238-W667 HydrophobicContact CZ-CH2 3.89Å; F238-W667 AromaticContact CZ-CZ3 3.88Å; F238-W667 HydrophobicContact CZ-CZ3 3.88Å; L239-W667 HydrophobicContact CD2-CH2 3.99Å; L239-W667 HydrophobicContact CD2-CZ2 3.97Å; C242-W667 HydrophobicContact CB-CD2 3.77Å; C242-W667 HydrophobicContact CB-CE3 3.63Å; C242-W667 HydrophobicContact CB-CH2 3.32Å; C242-W667 HydrophobicContact CB-CZ2 3.42Å; C242-W667 VanDerWaalsContact CB-CZ2 3.42Å; C242-W667 HydrophobicContact CB-CZ3 3.43Å; C242-W667 VanDerWaalsContact CB-CZ3 3.43Å; T243-W667 PolarHBondContact OG1-NE1 2.99Å; W245-W667 HydrophobicContact CZ3-CB 4.18Å; A246-W667 HydrophobicContact CB-CB 4.16Å; A246-W667 HydrophobicContact CB-CG 4.36Å; L663-W667 HydrophobicContact CD2-CD2 4.49Å; L663-W667 HydrophobicContact CD2-CH2 3.53Å; L663-W667 HydrophobicContact CD2-CZ2 3.37Å; L663-W667 HydrophobicContact CD2-CZ3 4.16Å; L663-W667 HydrophobicContact CG-CD2 3.98Å; L663-W667 HydrophobicContact CG-CE3 4.16Å; L663-W667 HydrophobicContact CG-CH2 3.96Å; L663-W667 HydrophobicContact CG-CZ2 3.8Å; L663-W667 HydrophobicContact CG-CZ3 4.14Å; L663-W667 WeakPolarHBondContact O-CB 3.5Å; L663-W667 PolarHBondContact O-N 3.26Å; I664-W667 HydrophobicContact CG1-CE3 4.08Å; I664-W667 HydrophobicContact CG1-CZ3 4.14Å; I664-W667 PolarHBondContact O-N 3.06Å; W667-T669 VanDerWaalsContact C-N 3.34Å; W667-T669 PolarHBondContact O-N 2.96Å; W667-L670 PolarHBondContact O-N 3.17Å; W667-R671 WeakPolarHBondContact O-CB 3.25Å; W667-R671 PolarHBondContact O-N 3Å
668L86.9Confident88.2Confident68.6667 Ų68.666741.9 Ų41.936%0.3621%0.212SC..Hα-helixtrans-60.4-42.3174.3-75.3168.6000112.4W245 F524 I664 F666 R671 L672W245-L668 HydrophobicContact CH2-CD2 4.26Å; F524-L668 HydrophobicContact CB-CD2 4.23Å; I664-L668 HydrophobicContact CG2-CD1 4.14Å; I664-L668 HydrophobicContact CG2-CG 4.45Å; I664-L668 VanDerWaalsContact O-CG 3.31Å; I664-L668 WeakPolarHBondContact O-CG 3.25Å; I664-L668 PolarHBondContact O-N 3.17Å; F666-L668 VanDerWaalsContact C-N 3.34Å; F666-L668 PolarHBondContact O-N 3.34Å; L668-R671 PolarHBondContact O-N 3.12Å; L668-L672 PolarHBondContact O-N 3.11Å
669T88.3Confident87.5Confident0.666667 Ų0.66666740.4 Ų40.40%0.00421%0.212CC..Hα-helixtrans-74.1-33.4178-690000112.3T564 L601 C665 F666 W667 L672 F673T564-T669 HydrophobicContact CG2-CG2 4.49Å; T564-T669 VanDerWaalsContact OG1-CB 3.24Å; T564-T669 WeakPolarHBondContact OG1-CB 3.4Å; T564-T669 PolarHBondContact OG1-OG1 3.17Å; L601-T669 HydrophobicContact CD2-CG2 3.88Å; L601-T669 WeakPolarHBondContact CD2-O 3.32Å; C665-T669 PolarHBondContact O-N 3.18Å; F666-T669 PolarHBondContact O-N 3.29Å; W667-T669 VanDerWaalsContact C-N 3.34Å; W667-T669 PolarHBondContact O-N 2.96Å; T669-L672 PolarHBondContact O-N 3.12Å; T669-F673 PolarHBondContact O-N 3.1Å
670L90.2Very high86.9Confident15.6667 Ų15.666746.2 Ų46.28%0.08224%0.237CC..Hα-helixtrans-63.6-42.7169.417959.5000111.6A246 P605 V608 F666 W667 L672 F673 V674A246-L670 HydrophobicContact CB-CB 4.33Å; A246-L670 HydrophobicContact CB-CD2 3.94Å; A246-L670 HydrophobicContact CB-CG 4.08Å; P605-L670 HydrophobicContact CB-CD1 4.08Å; V608-L670 HydrophobicContact CB-CD2 4.19Å; V608-L670 HydrophobicContact CG1-CD2 4.15Å; V608-L670 HydrophobicContact CG2-CB 4.15Å; V608-L670 HydrophobicContact CG2-CD2 3.98Å; F666-L670 PolarHBondContact O-N 3.18Å; W667-L670 PolarHBondContact O-N 3.17Å; L670-L672 VanDerWaalsContact C-N 3.32Å; L670-L672 PolarHBondContact O-N 3.13Å; L670-F673 HydrophobicContact CD1-CD1 4.27Å; L670-F673 WeakPolarHBondContact O-CB 3.35Å; L670-F673 PolarHBondContact O-N 3.05Å; L670-V674 WeakPolarHBondContact O-CG2 3.3Å; L670-V674 PolarHBondContact O-N 3.1Å
671R86.3Confident86.3Confident63 Ų6352.7 Ų52.724%0.23826%0.259CS..Hα-helixtrans-60.8-42.9173.9-175.899.5-170.4-162.71.2111.4W245 R248 D521 W667 L668 F673 V674 M675W245-R671 HydrophobicContact CH2-CB 3.83Å; W245-R671 HydrophobicContact CH2-CG 3.84Å; W245-R671 HydrophobicContact CZ2-CB 4.02Å; W245-R671 HydrophobicContact CZ2-CG 3.5Å; W245-R671 VanDerWaalsContact CZ2-CG 3.5Å; W245-R671 HydrophobicContact CZ3-CB 4.44Å; W245-R671 PolarHBondContact O-NH1 2.84Å; R248-R671 PolarHBondContact O-NH1 3.4Å; D521-R671 IonicContact OD1-CZ 3.38Å; D521-R671 VanDerWaalsContact OD1-CZ 3.26Å; D521-R671 IonicContact OD1-NH1 2.66Å; D521-R671 PolarHBondContact OD1-NH1 2.88Å; D521-R671 IonicContact OD1-NH2 3.2Å; D521-R671 PolarHBondContact OD1-NH2 2.85Å; W667-R671 WeakPolarHBondContact O-CB 3.25Å; W667-R671 PolarHBondContact O-N 3Å; L668-R671 PolarHBondContact O-N 3.12Å; R671-F673 VanDerWaalsContact C-N 3.34Å; R671-F673 PolarHBondContact O-N 3.2Å; R671-V674 PolarHBondContact O-N 3.05Å; R671-M675 HydrophobicContact CG-CG 4.47Å; R671-M675 HydrophobicContact CG-SD 3.98Å; R671-M675 PolarHBondContact NE-SD 3.3Å; R671-M675 VanDerWaalsContact NE-SD 3.42Å; R671-M675 WeakPolarHBondContact O-CB 3.44Å; R671-M675 VanDerWaalsContact O-CG 3.29Å; R671-M675 WeakPolarHBondContact O-CG 3.38Å; R671-M675 PolarHBondContact O-N 3.21Å
672L85.1Confident85.6Confident20.3333 Ų20.333356.3 Ų56.311%0.10627%0.27CS..Hα-helixtrans-60.4-43.3174.618061000112.1I557 L601 L668 T669 L670 V674 M675 E676I557-L672 HydrophobicContact CG2-CD1 4.25Å; I557-L672 WeakPolarHBondContact O-CD2 3.4Å; L601-L672 HydrophobicContact CD2-CB 4.25Å; L601-L672 HydrophobicContact CD2-CD2 4.17Å; L601-L672 HydrophobicContact CD2-CG 4.07Å; L668-L672 PolarHBondContact O-N 3.11Å; T669-L672 PolarHBondContact O-N 3.12Å; L670-L672 VanDerWaalsContact C-N 3.32Å; L670-L672 PolarHBondContact O-N 3.13Å; L672-V674 PolarHBondContact O-N 3.31Å; L672-M675 PolarHBondContact O-N 3.13Å; L672-E676 HydrophobicContact CD1-CG 4.25Å; L672-E676 WeakPolarHBondContact O-CB 3.42Å; L672-E676 PolarHBondContact O-N 3.13Å
673F87.9Confident84.7Confident30.3333 Ų30.333358.4 Ų58.413%0.13329%0.288CS..Hα-helixtrans-60-45.3174.3170-114.5000112L601 Y602 T669 L670 R671 R677L601-F673 HydrophobicContact CB-CB 4.21Å; L601-F673 HydrophobicContact CB-CD2 4.05Å; L601-F673 HydrophobicContact CB-CG 4.42Å; L601-F673 HydrophobicContact CD2-CB 3.81Å; L601-F673 WeakPolarHBondContact O-CD2 3.25Å; L601-F673 WeakPolarHBondContact O-CG 3.46Å; Y602-F673 AromaticContact CD1-CE2 3.78Å; Y602-F673 HydrophobicContact CD1-CE2 3.78Å; Y602-F673 HydrophobicContact CD1-CZ 4.16Å; Y602-F673 AromaticContact CE1-CE2 3.9Å; Y602-F673 HydrophobicContact CE1-CE2 3.94Å; Y602-F673 HydrophobicContact CE1-CZ 4.41Å; T669-F673 PolarHBondContact O-N 3.1Å; L670-F673 HydrophobicContact CD1-CD1 4.27Å; L670-F673 WeakPolarHBondContact O-CB 3.35Å; L670-F673 PolarHBondContact O-N 3.05Å; R671-F673 VanDerWaalsContact C-N 3.34Å; R671-F673 PolarHBondContact O-N 3.2Å; F673-R677 VanDerWaalsContact O-CB 3.24Å; F673-R677 WeakPolarHBondContact O-CB 3.22Å; F673-R677 PolarHBondContact O-N 3.17Å
674V86.8Confident83.7Confident45.6667 Ų45.666759.8 Ų59.828%0.27730%0.302SS..Hα-helixtrans-63.6-45.6177.3170.90000111.4A246 N249 L670 R671 L672 R677 A678A246-V674 WeakPolarHBondContact O-CG2 3.36Å; N249-V674 HydrophobicContact CB-CG1 4.28Å; L670-V674 WeakPolarHBondContact O-CG2 3.3Å; L670-V674 PolarHBondContact O-N 3.1Å; R671-V674 PolarHBondContact O-N 3.05Å; L672-V674 PolarHBondContact O-N 3.31Å; V674-R677 PolarHBondContact O-N 3.14Å; V674-A678 WeakPolarHBondContact O-CB 3.38Å; V674-A678 PolarHBondContact O-N 3.21Å
675M81.7Confident82.8Confident97.3333 Ų97.333362.5 Ų62.548%0.47931%0.313SS..Hα-helixtrans-64.9-43.9179.2-72.2177.568.900112.2R671 L672 R677 A678 A679R671-M675 HydrophobicContact CG-CG 4.47Å; R671-M675 HydrophobicContact CG-SD 3.98Å; R671-M675 PolarHBondContact NE-SD 3.3Å; R671-M675 VanDerWaalsContact NE-SD 3.42Å; R671-M675 WeakPolarHBondContact O-CB 3.44Å; R671-M675 VanDerWaalsContact O-CG 3.29Å; R671-M675 WeakPolarHBondContact O-CG 3.38Å; R671-M675 PolarHBondContact O-N 3.21Å; L672-M675 PolarHBondContact O-N 3.13Å; M675-R677 VanDerWaalsContact C-N 3.33Å; M675-R677 PolarHBondContact O-N 2.97Å; M675-A678 PolarHBondContact O-N 3.21Å; M675-A679 WeakPolarHBondContact O-CB 3.34Å; M675-A679 PolarHBondContact O-N 3.04Å
676E80.5Confident81.6Confident41 Ų4166.9 Ų66.919%0.19233%0.331CS..Hα-helixtrans-63.2-38.4173.6-86.1-169.7-126.900112.7R597 L672 A678 A679 K680R597-E676 IonicContact CZ-OE1 2.72Å; R597-E676 IonicContact NH1-OE1 3.48Å; R597-E676 PolarHBondContact NH1-OE1 3.07Å; R597-E676 IonicContact NH1-OE2 3.15Å; R597-E676 PolarHBondContact NH1-OE2 3.11Å; R597-E676 IonicContact NH2-OE1 3.67Å; R597-E676 PolarHBondContact NH2-OE1 3.14Å; L672-E676 HydrophobicContact CD1-CG 4.25Å; L672-E676 WeakPolarHBondContact O-CB 3.42Å; L672-E676 PolarHBondContact O-N 3.13Å; E676-A678 VanDerWaalsContact C-N 3.31Å; E676-A678 PolarHBondContact O-N 3.33Å; E676-A679 PolarHBondContact O-N 3.22Å; E676-K680 WeakPolarHBondContact O-CB 3.4Å; E676-K680 VanDerWaalsContact O-CD 3.31Å; E676-K680 WeakPolarHBondContact O-CD 3.43Å; E676-K680 VanDerWaalsContact O-CG 3.29Å; E676-K680 WeakPolarHBondContact O-CG 3.33Å; E676-K680 PolarHBondContact O-N 3.16Å; E676-K680 IonicContact OE2-NZ 3.37Å; E676-K680 PolarHBondContact OE2-NZ 3.32Å
677R84.4Confident80.4Confident130.667 Ų130.66773.1 Ų73.149%0.49336%0.36SS..Hα-helixtrans-71.5-31.7178.4-164173.9-170.6-172.52.5111.7F673 V674 M675 R681F673-R677 VanDerWaalsContact O-CB 3.24Å; F673-R677 WeakPolarHBondContact O-CB 3.22Å; F673-R677 PolarHBondContact O-N 3.17Å; V674-R677 PolarHBondContact O-N 3.14Å; M675-R677 VanDerWaalsContact C-N 3.33Å; M675-R677 PolarHBondContact O-N 2.97Å; R677-R681 WeakPolarHBondContact O-CB 3.36Å; R677-R681 WeakPolarHBondContact O-CD 3.4Å; R677-R681 VanDerWaalsContact O-CG 3.26Å; R677-R681 WeakPolarHBondContact O-CG 3.32Å; R677-R681 PolarHBondContact O-N 3.41Å; R677-R681 VanDerWaalsContact O-N 3.14Å
678A80.5Confident79.2Confident34 Ų3479 Ų7928%0.28138%0.382SS..Hα-helixtrans-68.9-48.917100000111.5N249 V674 M675 E676 K680 R681 L682N249-A678 HydrophobicContact CB-CB 4.21Å; V674-A678 WeakPolarHBondContact O-CB 3.38Å; V674-A678 PolarHBondContact O-N 3.21Å; M675-A678 PolarHBondContact O-N 3.21Å; E676-A678 VanDerWaalsContact C-N 3.31Å; E676-A678 PolarHBondContact O-N 3.33Å; A678-K680 PolarHBondContact O-N 3.02Å; A678-R681 WeakPolarHBondContact O-CB 3.41Å; A678-R681 PolarHBondContact O-N 3.18Å; A678-R681 VanDerWaalsContact O-N 3.12Å; A678-L682 PolarHBondContact O-N 3.4Å
679A75.8Confident78.4Confident48.3333 Ų48.333379.1 Ų79.140%0.39939%0.386SS..Hα-helixtrans-58.9-46.6177.500000112.3M675 E676 R681 L682 S683M675-A679 WeakPolarHBondContact O-CB 3.34Å; M675-A679 PolarHBondContact O-N 3.04Å; E676-A679 PolarHBondContact O-N 3.22Å; A679-R681 VanDerWaalsContact C-N 3.28Å; A679-R681 PolarHBondContact O-N 3.36Å; A679-L682 WeakPolarHBondContact O-CB 3.36Å; A679-L682 PolarHBondContact O-N 3.35Å; A679-L682 VanDerWaalsContact O-N 3.14Å; A679-S683 PolarHBondContact O-N 3.15Å; A679-S683 PolarHBondContact O-OG 3.28Å
680K78.7Confident77.3Confident127.333 Ų127.33382.8 Ų82.855%0.55441%0.408SS*.Hα-helixtrans-63.5-30.5176.4-72.3164.1-175.1156.60113.1E676 A678 S683 A684E676-K680 WeakPolarHBondContact O-CB 3.4Å; E676-K680 VanDerWaalsContact O-CD 3.31Å; E676-K680 WeakPolarHBondContact O-CD 3.43Å; E676-K680 VanDerWaalsContact O-CG 3.29Å; E676-K680 WeakPolarHBondContact O-CG 3.33Å; E676-K680 PolarHBondContact O-N 3.16Å; E676-K680 IonicContact OE2-NZ 3.37Å; E676-K680 PolarHBondContact OE2-NZ 3.32Å; A678-K680 PolarHBondContact O-N 3.02Å; K680-S683 PolarHBondContact O-OG 3.34Å; K680-A684 VanDerWaalsContact O-CB 3.26Å; K680-A684 WeakPolarHBondContact O-CB 3.37Å; K680-A684 PolarHBondContact O-N 3.08Å; K680-A684 VanDerWaalsContact O-N 3.08Å
681R79.4Confident76Confident165.333 Ų165.33386.4 Ų86.462%0.62443%0.427SS*.Hα-helixtrans-72-41.3171.9-78.2168.6171.4175.4-5.7111.7R677 A678 A679 A684 H685R677-R681 WeakPolarHBondContact O-CB 3.36Å; R677-R681 WeakPolarHBondContact O-CD 3.4Å; R677-R681 VanDerWaalsContact O-CG 3.26Å; R677-R681 WeakPolarHBondContact O-CG 3.32Å; R677-R681 PolarHBondContact O-N 3.41Å; R677-R681 VanDerWaalsContact O-N 3.14Å; A678-R681 WeakPolarHBondContact O-CB 3.41Å; A678-R681 PolarHBondContact O-N 3.18Å; A678-R681 VanDerWaalsContact O-N 3.12Å; A679-R681 VanDerWaalsContact C-N 3.28Å; A679-R681 PolarHBondContact O-N 3.36Å; R681-A684 PolarHBondContact O-N 3.22Å; R681-H685 WeakPolarHBondContact O-CB 3.37Å; R681-H685 PolarHBondContact O-N 3.09Å
682L75.2Confident74.8Confident109.667 Ų109.66790.1 Ų90.157%0.57445%0.445SS*.Hα-helixtrans-64.8-46.4178.5-174.663.6000111.4A678 A679 A684 H685 H686A678-L682 PolarHBondContact O-N 3.4Å; A679-L682 WeakPolarHBondContact O-CB 3.36Å; A679-L682 PolarHBondContact O-N 3.35Å; A679-L682 VanDerWaalsContact O-N 3.14Å; L682-A684 PolarHBondContact O-N 2.95Å; L682-H685 PolarHBondContact O-N 2.95Å; L682-H685 VanDerWaalsContact O-N 3.17Å; L682-H686 PolarHBondContact O-N 3.13Å; L682-H686 VanDerWaalsContact O-N 3.09Å; L682-H686 PolarHBondContact O-ND1 3.09Å
683S73.4Confident73.5Confident73 Ų7392 Ų9251%0.5146%0.46SS..Hα-helixtrans-62.2-44.5175.533.30000112A679 K680 H685 H686 Q687A679-S683 PolarHBondContact O-N 3.15Å; A679-S683 PolarHBondContact O-OG 3.28Å; K680-S683 PolarHBondContact O-OG 3.34Å; S683-H685 VanDerWaalsContact C-N 3.29Å; S683-H685 PolarHBondContact O-N 3.17Å; S683-H686 PolarHBondContact O-N 3.14Å; S683-Q687 WeakPolarHBondContact O-CB 3.39Å; S683-Q687 PolarHBondContact O-N 3.07Å
684A73.5Confident71.9Confident40.6667 Ų40.666796.1 Ų96.134%0.33648%0.479SS..Hα-helixtrans-65.1-30176.300000113.1K680 R681 L682 R688K680-A684 VanDerWaalsContact O-CB 3.26Å; K680-A684 WeakPolarHBondContact O-CB 3.37Å; K680-A684 PolarHBondContact O-N 3.08Å; K680-A684 VanDerWaalsContact O-N 3.08Å; R681-A684 PolarHBondContact O-N 3.22Å; L682-A684 PolarHBondContact O-N 2.95Å; A684-R688 VanDerWaalsContact O-CG 3.31Å; A684-R688 WeakPolarHBondContact O-CG 3.43Å; A684-R688 PolarHBondContact O-N 3.04Å
685H71Confident70.2Confident120 Ų120100.5 Ų100.556%0.55650%0.497SS*.Hα-helixtrans-70.8-46.8172.8-166.8-69.4000111.2R681 L682 S683 Q687 R688 V689R681-H685 WeakPolarHBondContact O-CB 3.37Å; R681-H685 PolarHBondContact O-N 3.09Å; L682-H685 PolarHBondContact O-N 2.95Å; L682-H685 VanDerWaalsContact O-N 3.17Å; S683-H685 VanDerWaalsContact C-N 3.29Å; S683-H685 PolarHBondContact O-N 3.17Å; H685-Q687 PolarHBondContact O-N 3Å; H685-R688 PolarHBondContact O-N 3.23Å; H685-V689 WeakPolarHBondContact O-CG2 3.31Å; H685-V689 PolarHBondContact O-N 3.17Å
686H64.9Low68.8Low112.667 Ų112.667101.8 Ų101.852%0.52251%0.505SS..Hα-helixtrans-62.1-43.2178.2-124.781.6000111.5L682 S683 R688 V689 V690L682-H686 PolarHBondContact O-N 3.13Å; L682-H686 VanDerWaalsContact O-N 3.09Å; L682-H686 PolarHBondContact O-ND1 3.09Å; S683-H686 PolarHBondContact O-N 3.14Å; H686-R688 VanDerWaalsContact C-N 3.32Å; H686-R688 PolarHBondContact O-N 2.97Å; H686-V689 PolarHBondContact O-N 3.16Å; H686-V690 WeakPolarHBondContact O-CG2 3.35Å; H686-V690 PolarHBondContact O-N 2.95Å
687Q66.8Low67.3Low131.333 Ų131.333107.8 Ų107.861%0.61453%0.533SS*.Hα-helixtrans-63.2-34.5177.3-166.6172.58.400112.8S683 H685 L691S683-Q687 WeakPolarHBondContact O-CB 3.39Å; S683-Q687 PolarHBondContact O-N 3.07Å; H685-Q687 PolarHBondContact O-N 3Å; Q687-L691 HydrophobicContact CG-CD1 4.34Å; Q687-L691 WeakPolarHBondContact O-CB 3.36Å; Q687-L691 WeakPolarHBondContact O-CG 3.37Å; Q687-L691 PolarHBondContact O-N 3.26Å; Q687-L691 VanDerWaalsContact O-N 3.1Å
688R67Low65.5Low182.667 Ų182.667107 Ų10769%0.68954%0.543SS*.Hα-helixtrans-69.5-35.1170.5-74.2-179.7-162.9169.92.5113.2A684 H685 H686 K692A684-R688 VanDerWaalsContact O-CG 3.31Å; A684-R688 WeakPolarHBondContact O-CG 3.43Å; A684-R688 PolarHBondContact O-N 3.04Å; H685-R688 PolarHBondContact O-N 3.23Å; H686-R688 VanDerWaalsContact C-N 3.32Å; H686-R688 PolarHBondContact O-N 2.97Å; R688-K692 VanDerWaalsContact O-CB 3.26Å; R688-K692 WeakPolarHBondContact O-CB 3.42Å; R688-K692 PolarHBondContact O-N 3.01Å
689V68.5Low63.6Low72 Ų72110 Ų11044%0.43656%0.562SS.*Hα-helixtrans-68.4-41177.1170.80000110.4H685 H686 S693H685-V689 WeakPolarHBondContact O-CG2 3.31Å; H685-V689 PolarHBondContact O-N 3.17Å; H686-V689 PolarHBondContact O-N 3.16Å; V689-S693 WeakPolarHBondContact O-CB 3.32Å; V689-S693 PolarHBondContact O-N 3.25Å; V689-S693 PolarHBondContact O-OG 3.16Å
690V66.9Low61.9Low77 Ų77113.2 Ų113.247%0.46758%0.581SS.*Hα-helixtrans-61.3-56.21731750000110.6H686 K692 S693 E694H686-V690 WeakPolarHBondContact O-CG2 3.35Å; H686-V690 PolarHBondContact O-N 2.95Å; V690-K692 VanDerWaalsContact C-N 3.3Å; V690-K692 PolarHBondContact O-N 3.26Å; V690-S693 WeakPolarHBondContact O-CA 3.43Å; V690-S693 WeakPolarHBondContact O-CB 3.29Å; V690-S693 PolarHBondContact O-N 3.04Å; V690-E694 PolarHBondContact O-N 2.83Å
691L61.2Low59.9Low92 Ų92110.7 Ų110.748%0.48259%0.591SS.*Hα-helixtrans-55.2-43.1178.9-77.2165.6000112.6Q687 S693 E694 E695Q687-L691 HydrophobicContact CG-CD1 4.34Å; Q687-L691 WeakPolarHBondContact O-CB 3.36Å; Q687-L691 WeakPolarHBondContact O-CG 3.37Å; Q687-L691 PolarHBondContact O-N 3.26Å; Q687-L691 VanDerWaalsContact O-N 3.1Å; L691-S693 VanDerWaalsContact C-N 3.27Å; L691-S693 PolarHBondContact O-N 3.2Å; L691-E694 PolarHBondContact O-N 3.26Å; L691-E695 WeakPolarHBondContact O-CB 3.49Å; L691-E695 WeakPolarHBondContact O-CG 3.37Å; L691-E695 PolarHBondContact O-N 3.12Å
692K62.7Low57.9Low141 Ų141108.2 Ų108.261%0.61360%0.599SS**Hα-helixtrans-69.9-22.4177.8-170.9173.2179.9-174.20113.4R688 V690 L696R688-K692 VanDerWaalsContact O-CB 3.26Å; R688-K692 WeakPolarHBondContact O-CB 3.42Å; R688-K692 PolarHBondContact O-N 3.01Å; V690-K692 VanDerWaalsContact C-N 3.3Å; V690-K692 PolarHBondContact O-N 3.26Å; K692-L696 HydrophobicContact CG-CD1 4.47Å; K692-L696 WeakPolarHBondContact O-CB 3.19Å; K692-L696 WeakPolarHBondContact O-CD1 3.41Å; K692-L696 PolarHBondContact O-N 3.15Å
693S57.4Low56.1Low61 Ų61109.7 Ų109.743%0.42761%0.613SS.*Hα-helixtrans-79-36.6173.1-54.50000111.1V689 V690 L691 L696 Q697V689-S693 WeakPolarHBondContact O-CB 3.32Å; V689-S693 PolarHBondContact O-N 3.25Å; V689-S693 PolarHBondContact O-OG 3.16Å; V690-S693 WeakPolarHBondContact O-CA 3.43Å; V690-S693 WeakPolarHBondContact O-CB 3.29Å; V690-S693 PolarHBondContact O-N 3.04Å; L691-S693 VanDerWaalsContact C-N 3.27Å; L691-S693 PolarHBondContact O-N 3.2Å; S693-L696 PolarHBondContact O-N 3.21Å; S693-Q697 WeakPolarHBondContact O-CG 3.43Å; S693-Q697 PolarHBondContact O-N 3.11Å
694E54.1Low54.5Low115.667 Ų115.667111.3 Ų111.354%0.5462%0.622SS.*Hα-helixtrans-69.7-43.1177.5-156.8167.5-174.700111.4V690 L691 L696 Q697 T698V690-E694 PolarHBondContact O-N 2.83Å; L691-E694 PolarHBondContact O-N 3.26Å; E694-L696 VanDerWaalsContact C-N 3.26Å; E694-L696 PolarHBondContact O-N 3.06Å; E694-L696 VanDerWaalsContact O-N 3.1Å; E694-Q697 PolarHBondContact O-N 3.4Å; E694-Q697 VanDerWaalsContact O-N 3.1Å; E694-T698 PolarHBondContact O-N 3.31Å; E694-T698 PolarHBondContact O-OG1 3.05Å
695E50.6Low52.5Low138.667 Ų138.667117.2 Ų117.265%0.64865%0.647SS**Hα-helixtrans-60.4-26.7170.5-74.2-179.9152.500113.2L691 T698L691-E695 WeakPolarHBondContact O-CB 3.49Å; L691-E695 WeakPolarHBondContact O-CG 3.37Å; L691-E695 PolarHBondContact O-N 3.12Å; E695-T698 PolarHBondContact O-OG1 3.03Å
696L51.6Low50.9Low124 Ų124116.8 Ų116.865%0.64966%0.655SS**Hα-helixtrans-81.8-23.7179.2-12272.9000113.5K692 S693 E694 T698 S699K692-L696 HydrophobicContact CG-CD1 4.47Å; K692-L696 WeakPolarHBondContact O-CB 3.19Å; K692-L696 WeakPolarHBondContact O-CD1 3.41Å; K692-L696 PolarHBondContact O-N 3.15Å; S693-L696 PolarHBondContact O-N 3.21Å; E694-L696 VanDerWaalsContact C-N 3.26Å; E694-L696 PolarHBondContact O-N 3.06Å; E694-L696 VanDerWaalsContact O-N 3.1Å; L696-T698 VanDerWaalsContact C-N 3.29Å; L696-T698 PolarHBondContact O-N 2.88Å; L696-S699 PolarHBondContact O-OG 2.91Å
697Q50.2Low49.2Very low166 Ų166122.6 Ų122.678%0.77667%0.672SS**Hα-helixtrans-88-12.1179.3-69-176.11.900113.4S693 E694S693-Q697 WeakPolarHBondContact O-CG 3.43Å; S693-Q697 PolarHBondContact O-N 3.11Å; E694-Q697 PolarHBondContact O-N 3.4Å; E694-Q697 VanDerWaalsContact O-N 3.1Å
698T46.8Very low47.5Very low114.667 Ų114.667125.6 Ų125.670%0.70368%0.684SS**SBendtrans-100.917.3-17952.20000114.2E694 E695 L696 S700E694-T698 PolarHBondContact O-N 3.31Å; E694-T698 PolarHBondContact O-OG1 3.05Å; E695-T698 PolarHBondContact O-OG1 3.03Å; L696-T698 VanDerWaalsContact C-N 3.29Å; L696-T698 PolarHBondContact O-N 2.88Å; T698-S700 PolarHBondContact O-N 3.49Å
699S39.7Very low45.9Very low97 Ų97124.2 Ų124.268%0.67869%0.685SS**  trans-116.344-176.463.40000115.8L696L696-S699 PolarHBondContact O-OG 2.91Å
700S40.6Very low44.1Very low114.667 Ų114.667130.6 Ų130.680%0.80271%0.707SS**  trans-138.5105.4171.462.20000112.2T698T698-S700 PolarHBondContact O-N 3.49Å
701G36.8Very low42.5Very low75 Ų75131.8 Ų131.877%0.77372%0.719SS**  trans124.1101.1179.200000112.1
702S36.1Very low41Very low113.333 Ų113.333134.4 Ų134.479%0.79373%0.733SS**  trans-97.9123.1160.9580000114
703T38.5Very low39.7Very low141.667 Ų141.667133.4 Ų133.487%0.86974%0.741SS**  -150.7151.2118.5-15.90000109.6
704P38.9Very low38.4Very low107.333 Ų107.333135.6 Ų135.670%0.69775%0.751SS**  trans-112.7172.5-153.141.4-33.3000116.1
705L32.7Very low37.3Very low163 Ų163136.8 Ų136.885%0.85376%0.76SS**  trans116.8155.8154.6-70.4164.6000115
706P36.1Very low36.3Very low111.667 Ų111.667138.1 Ų138.173%0.72577%0.771SS**  cis-120.6170.3-39.438.1-23.5000115.2
707R29.4Very low35.3Very low234.333 Ų234.333141.4 Ų141.488%0.88478%0.78SS**  trans-45145.9173.7-59.7171.2-179.6145.6-0.7111.6
708F32.6Very low34.2Very low194 Ų194143.8 Ų143.885%0.85179%0.788SS**  -136.3127.9124.9-140-111.1000110.7
709Q33Very low33.4Very low153.333 Ų153.333149.2 Ų149.272%0.71780%0.796SS**  trans-75.3131.9143.5-169.4174.3-57.300113S711Q709-S711 PolarHBondContact O-N 2.95Å; Q709-S711 VanDerWaalsContact O-N 3.09Å
710K30.4Very low33Very low207.333 Ų207.333155.1 Ų155.190%0.90180%0.803SS**  trans-89.8124.4156.9-81.1179.7179.4173.70110
711S32.8Very low32.6Very low103 Ų103160.8 Ų160.872%0.7281%0.807SS**  trans-119.5148.216955.40000111.7Q709Q709-S711 PolarHBondContact O-N 2.95Å; Q709-S711 VanDerWaalsContact O-N 3.09Å
712L29.6Very low32.3Very low146 Ų146161.5 Ų161.576%0.76480%0.8SS**  trans-66.6145.4166.8-125.971.5000110T714L712-T714 WeakPolarHBondContact CD2-OG1 3.41Å
713P35.9Very low32.3Very low120.667 Ų120.667162.7 Ų162.778%0.78480%0.797SS**  -126.3122.9119.636.4-26.2000113.1I715P713-I715 VanDerWaalsContact C-N 3.31Å; P713-I715 PolarHBondContact O-N 3.34Å; P713-I715 VanDerWaalsContact O-N 3.17Å
714T29.2Very low32.2Very low105.667 Ų105.667163 Ų16365%0.64879%0.787SS**  -54.9120.7125.2-50.90000110.4L712L712-T714 WeakPolarHBondContact CD2-OG1 3.41Å
715I31.9Very low32.1Very low142 Ų142164.2 Ų164.273%0.72878%0.783SS**  trans107114.5163.4-74.4165.8000116.2P713 K717P713-I715 VanDerWaalsContact C-N 3.31Å; P713-I715 PolarHBondContact O-N 3.34Å; P713-I715 VanDerWaalsContact O-N 3.17Å; I715-K717 HydrophobicContact CG2-CB 4.12Å; I715-K717 PolarHBondContact O-N 3.19Å
716L30Very low32.4Very low165.667 Ų165.667164 Ų16487%0.86778%0.783SS**  trans-12.9117143.7-70156.9000116
717K29.5Very low32.3Very low193 Ų193161.8 Ų161.884%0.83978%0.78SS**  trans161.9119.9156.2-94.2160.1-177.2173.90114.6I715 R719I715-K717 HydrophobicContact CG2-CB 4.12Å; I715-K717 PolarHBondContact O-N 3.19Å; K717-R719 PolarHBondContact O-N 3.37Å
718F28.1Very low32.6Very low215.667 Ų215.667157.7 Ų157.795%0.94678%0.775SS**  trans-39.4125.4151.4-97.4-101.7000112.6
719R30.1Very low32.8Very low229.667 Ų229.667155.1 Ų155.187%0.86777%0.771SS**  trans-163.1130150.6-157.6172.9-166.9173.75.4114.4K717K717-R719 PolarHBondContact O-N 3.37Å
720R30.6Very low32.8Very low219.333 Ų219.333155.1 Ų155.183%0.82877%0.774SS**  trans-119.4146.8164.7-156.2-171.9-108.1174.5-4.5114.8
721R31.9Very low32.8Very low235 Ų235152.4 Ų152.489%0.88777%0.769SS**  trans111.1154.2152.4-139.6176.8-177.8163.82.5114.4
722S32.1Very low32.6Very low89.6667 Ų89.6667154.9 Ų154.963%0.62777%0.773SS**  cis-153.5166.8-29.8-164.20000108.7
723N35Very low32.8Very low137.667 Ų137.667154.4 Ų154.474%0.73678%0.777SS**  170.7150.1125-88.61.7000108.4
724K35.7Very low32.5Very low150 Ų150154.3 Ų154.365%0.65278%0.776SS**  cis172.3148.228.1-104.3-178.5165.8-104.10108.5
725E38Very low32.7Very low132.333 Ų132.333159.1 Ų159.162%0.61879%0.788SS**  cis177153.725.7-101153-173.900113.2
726D37.5Very low32.6Very low158.333 Ų158.333159.6 Ų159.685%0.84779%0.791SS**  cis172.7168.7-12.4-98.32.3000113
727G35Very low32.5Very low64.6667 Ų64.6667159.2 Ų159.267%0.66779%0.79SS**  trans151.1-3.1131.400000117.5
728N35.8Very low32.6Very low147.667 Ų147.667159.3 Ų159.379%0.7980%0.796SS**  trans30.9100.6164.2-65.4-17.7000119.6
729N37Very low32.8Very low140.667 Ų140.667153.5 Ų153.575%0.75279%0.788SS**  141.3118.3110.7-75.8-31.5000117.8
730I33.4Very low32.7Very low152.333 Ų152.333149.9 Ų149.978%0.78179%0.786SS**  90.7105126.5-65168.2000115.6
731L29.5Very low32.5Very low151.333 Ų151.333147.3 Ų147.379%0.79279%0.788SS**  trans41.4131.5139.8-95.3138.8000119
732L29.8Very low32.4Very low156.333 Ų156.333145.5 Ų145.582%0.81879%0.787SS**  trans102.6100149.4-80.8150.9000117
733T33.3Very low32.1Very low135.667 Ų135.667150 Ų15083%0.83280%0.798SS**  trans151.7124.6150.934.60000114
734P29.4Very low31.7Very low118.667 Ų118.667148.5 Ų148.577%0.77179%0.794SS**  trans-134.491.314836.6-21.8000112.8
735F33.5Very low31.3Very low204.667 Ų204.667149.5 Ų149.590%0.89880%0.801SS**SBendtrans-146.726.9173.4-106.7-68.6000113.9
736L29.8Very low30.9Very low152.667 Ų152.667149.7 Ų149.780%0.79981%0.812SS**SBendtrans-146.2163.7172.2-82166.3000108.8
737N27.6Very low30.3Very low158 Ų158147.1 Ų147.185%0.84581%0.805SS**  trans7969179.9-53.20.5000116.4
738M31.4Very low30Very low195.333 Ų195.333154 Ų15496%0.96281%0.813SS**  trans-155.854.3152.5-157.3176.4-161.900111.1
739A32.1Very low29.7Very low93.3333 Ų93.3333154.6 Ų154.677%0.77182%0.816SS**  trans-156.236.8-17400000114.4
740D27.9Very low29.3Very low154 Ų154152.5 Ų152.582%0.82482%0.818SS**  trans-124.9172.5161.8-74.3-64.3000107.8
741D26.8Very low29.1Very low164.333 Ų164.333149.8 Ų149.888%0.87982%0.818SS**  trans72.259.7-174.3-60.5-20.1000118.2
742F29.1Very low29.2Very low198.333 Ų198.333149.1 Ų149.187%0.8781%0.814SS**  trans-155.284.2138.6-157.5-101.8000112.9
743Q27.1Very low29.2Very low183.333 Ų183.333151.5 Ų151.586%0.85781%0.814SS**  trans-142.995.9177.3-137.8-172.1-2.200112.5
744T26.6Very low29Very low106.667 Ų106.667148.3 Ų148.365%0.65481%0.807SS**  trans173.1155.1167.841.10000112.5
745H26.1Very low29Very low170.667 Ų170.667149.1 Ų149.179%0.7981%0.812SS**  trans42.1116.7152.4-72.1-74.4000116.2
746T29.3Very low28.8Very low137.667 Ų137.667143.1 Ų143.185%0.84580%0.801SS**  trans175.287.5148.514.50000113.8
747S25.5Very low28.9Very low102 Ų102139.7 Ų139.771%0.71379%0.794SS**  trans-125.6128.5143.4-160.30000113
748Y28.4Very low29Very low210.667 Ų210.667137.2 Ų137.283%0.82679%0.79SS**  trans84.985.1-168.1-58.8-74.4000114.9A750Y748-A750 PolarHBondContact O-N 3.3Å
749N29.1Very low29Very low160.333 Ų160.333135.6 Ų135.686%0.85778%0.778SS**  trans-161.559.3166.4-70.12.5000113.2
750A28.9Very low29.1Very low96.3333 Ų96.3333133.9 Ų133.980%0.79677%0.769SS**  trans-118.547.5176.100000112.4Y748Y748-A750 PolarHBondContact O-N 3.3Å
751A29.2Very low29.7Very low95 Ų95130.8 Ų130.879%0.78576%0.756SS**  trans-73.261.8170.800000114
752I32.1Very low30.7Very low136.333 Ų136.333127.3 Ų127.370%0.69974%0.74SS**SBendtrans-135.8136.9178.9-57.6144.8000110.6
753Y30.4Very low31.8Very low208 Ų208122.2 Ų122.282%0.81672%0.722SS**  trans95.4127.5-175.7-53.2-67.8000116.6
754G28.6Very low33.6Very low67 Ų67115.3 Ų115.369%0.69169%0.691SS**  trans-95.3-167.3-175.500000115.5A756G754-A756 PolarHBondContact O-N 3.33Å
755P29.5Very low35.8Very low136 Ų136114.1 Ų114.188%0.88368%0.68SS**  -96.586.3-126.433.3-31.6000114.3A757P755-A757 PolarHBondContact O-N 2.89Å
756A29.1Very low38Very low79 Ų79111.7 Ų111.765%0.65367%0.672SS**SBendtrans-109.875.6164.600000111.3G754 S758G754-A756 PolarHBondContact O-N 3.33Å; A756-S758 PolarHBondContact O-N 3.28Å; A756-S758 VanDerWaalsContact O-N 3.1Å
757A31.4Very low39.9Very low80.6667 Ų80.6667108.6 Ų108.667%0.66765%0.646SS**  trans20.283.3176.800000115.5P755 F759P755-A757 PolarHBondContact O-N 2.89Å; A757-F759 HydrophobicContact CB-CD2 4.47Å; A757-F759 HydrophobicContact CB-CE2 3.98Å; A757-F759 WeakPolarHBondContact O-CD2 3.34Å; A757-F759 PolarHBondContact O-N 3.15Å; A757-F759 VanDerWaalsContact O-N 3.1Å
758S29.6Very low42.2Very low106.667 Ų106.667110.1 Ų110.175%0.74664%0.636SS**  trans-60.4117.8173.7-1750000111A756 G760A756-S758 PolarHBondContact O-N 3.28Å; A756-S758 VanDerWaalsContact O-N 3.1Å; S758-G760 PolarHBondContact O-N 3.22Å; S758-G760 PolarHBondContact OG-N 3.48Å; S758-G760 VanDerWaalsContact OG-N 3.17Å
759F32Very low44.5Very low161.333 Ų161.333108.3 Ų108.371%0.70863%0.627SS**  trans-80.546.1172.9-79.6-91000111.7A757 T761A757-F759 HydrophobicContact CB-CD2 4.47Å; A757-F759 HydrophobicContact CB-CE2 3.98Å; A757-F759 WeakPolarHBondContact O-CD2 3.34Å; A757-F759 PolarHBondContact O-N 3.15Å; A757-F759 VanDerWaalsContact O-N 3.1Å; F759-T761 VanDerWaalsContact C-N 3.33Å; F759-T761 VanDerWaalsContact O-CG2 3.28Å; F759-T761 WeakPolarHBondContact O-CG2 3.29Å; F759-T761 PolarHBondContact O-N 3.37Å
760G33.6Very low46.7Very low57 Ų57105.6 Ų105.659%0.58861%0.608SS**  trans-7888.4-178.700000113.6S758 V762S758-G760 PolarHBondContact O-N 3.22Å; S758-G760 PolarHBondContact OG-N 3.48Å; S758-G760 VanDerWaalsContact OG-N 3.17Å; G760-V762 PolarHBondContact O-N 3.04Å
761T41.2Very low48.9Very low89.3333 Ų89.3333103.5 Ų103.555%0.54859%0.586SS.*  trans-44.294.6169.2570000113.9R546 F759 D763 N764R546-T761 VanDerWaalsContact CZ-OG1 3.23Å; R546-T761 PolarHBondContact NE-OG1 3.4Å; R546-T761 PolarHBondContact NH2-OG1 2.9Å; F759-T761 VanDerWaalsContact C-N 3.33Å; F759-T761 VanDerWaalsContact O-CG2 3.28Å; F759-T761 WeakPolarHBondContact O-CG2 3.29Å; F759-T761 PolarHBondContact O-N 3.37Å; T761-D763 PolarHBondContact O-N 3.46Å; T761-N764 WeakPolarHBondContact CG2-ND2 3.49Å
762V48Very low51.4Low90.3333 Ų90.3333104.1 Ų104.155%0.54757%0.572SS.*PPolyproline II helixtrans-84.8111.3160.8-176.30000108.8G760 N764G760-V762 PolarHBondContact O-N 3.04Å; V762-N764 VanDerWaalsContact C-N 3.29Å; V762-N764 WeakPolarHBondContact O-CA 3.47Å; V762-N764 PolarHBondContact O-N 2.99Å
763D52.3Low53.7Low92 Ų92103.5 Ų103.549%0.49256%0.564SS.*PPolyproline II helixtrans-50.8113.4178.5-94.8-36.1000111.4S551 T761 N765 I766 Y767S551-D763 WeakPolarHBondContact CB-OD1 3.47Å; S551-D763 PolarHBondContact OG-OD1 3.41Å; T761-D763 PolarHBondContact O-N 3.46Å; D763-N765 PolarHBondContact O-N 3.09Å; D763-I766 PolarHBondContact O-N 3.22Å; D763-Y767 HydrophobicContact CB-CD1 4.22Å
764N65.4Low56.1Low38.6667 Ų38.666796.9 Ų96.921%0.20754%0.542CS..  trans-49.7118.5-173.1-156.8-47.4000112.1E545 R546 T761 V762 I766 Y767 R768E545-N764 PolarHBondContact OE2-ND2 3Å; R546-N764 WeakPolarHBondContact O-CB 3.43Å; R546-N764 PolarHBondContact O-ND2 3.09Å; T761-N764 WeakPolarHBondContact CG2-ND2 3.49Å; V762-N764 VanDerWaalsContact C-N 3.29Å; V762-N764 WeakPolarHBondContact O-CA 3.47Å; V762-N764 PolarHBondContact O-N 2.99Å; N764-I766 PolarHBondContact O-N 3.2Å; N764-I766 VanDerWaalsContact O-N 3.09Å; N764-I766 WeakPolarHBondContact OD1-CA 3.13Å; N764-I766 WeakPolarHBondContact OD1-CB 3.42Å; N764-I766 WeakPolarHBondContact OD1-CG1 3.19Å; N764-I766 PolarHBondContact OD1-N 3.11Å; N764-Y767 WeakPolarHBondContact O-CA 3.32Å; N764-Y767 WeakPolarHBondContact O-CB 3.42Å; N764-Y767 PolarHBondContact O-N 3.37Å; N764-Y767 PolarHBondContact OD1-N 3.46Å; N764-R768 WeakPolarHBondContact O-CB 3.34Å; N764-R768 PolarHBondContact O-N 3.26Å; N764-R768 VanDerWaalsContact O-N 3.07Å
765N72.4Confident58.7Low80.3333 Ų80.333398.5 Ų98.543%0.4353%0.531SS..Hα-helixtrans-61.8-31.2-175.5-78.3-63.2000113.7E545 D763 R768 R769E545-N765 PolarHBondContact OE1-N 3.25Å; E545-N765 PolarHBondContact OE1-ND2 3.11Å; D763-N765 PolarHBondContact O-N 3.09Å; N765-R768 PolarHBondContact OD1-NH2 2.96Å; N765-R769 VanDerWaalsContact O-CB 3.28Å; N765-R769 WeakPolarHBondContact O-CB 3.49Å; N765-R769 WeakPolarHBondContact O-CD 3.32Å; N765-R769 WeakPolarHBondContact O-CG 3.39Å; N765-R769 PolarHBondContact O-N 3.26Å; N765-R769 VanDerWaalsContact O-N 3.12Å
766I71.9Confident61.3Low122 Ų12295.6 Ų95.663%0.62651%0.514SS*.Hα-helixtrans-70.5-46.6175.7-55.6173.9000110.1D763 N764 R768 R769 F770D763-I766 PolarHBondContact O-N 3.22Å; N764-I766 PolarHBondContact O-N 3.2Å; N764-I766 VanDerWaalsContact O-N 3.09Å; N764-I766 WeakPolarHBondContact OD1-CA 3.13Å; N764-I766 WeakPolarHBondContact OD1-CB 3.42Å; N764-I766 WeakPolarHBondContact OD1-CG1 3.19Å; N764-I766 PolarHBondContact OD1-N 3.11Å; I766-R768 VanDerWaalsContact C-N 3.31Å; I766-R768 PolarHBondContact O-N 3.25Å; I766-R769 PolarHBondContact O-N 3.03Å; I766-F770 VanDerWaalsContact O-CB 3.26Å; I766-F770 WeakPolarHBondContact O-CB 3.39Å; I766-F770 PolarHBondContact O-N 3.04Å
767Y68.5Low63.9Low71.3333 Ų71.333395.1 Ų95.128%0.2850%0.5SS..Hα-helixtrans-62-42.1177.2178.3-100.5000111.8F548 L552 S555 D763 N764 F770 T771F548-Y767 HydrophobicContact CD2-CD2 4.28Å; F548-Y767 HydrophobicContact CE2-CD2 4.1Å; L552-Y767 HydrophobicContact CD2-CE2 4.13Å; S555-Y767 PolarHBondContact OG-OH 3.27Å; D763-Y767 HydrophobicContact CB-CD1 4.22Å; N764-Y767 WeakPolarHBondContact O-CA 3.32Å; N764-Y767 WeakPolarHBondContact O-CB 3.42Å; N764-Y767 PolarHBondContact O-N 3.37Å; N764-Y767 PolarHBondContact OD1-N 3.46Å; Y767-F770 PolarHBondContact O-N 3.05Å; Y767-T771 HydrophobicContact CD1-CG2 4.35Å; Y767-T771 HydrophobicContact CD2-CG2 4.36Å; Y767-T771 HydrophobicContact CE1-CG2 3.91Å; Y767-T771 HydrophobicContact CE2-CG2 3.91Å; Y767-T771 WeakPolarHBondContact O-CB 3.22Å; Y767-T771 WeakPolarHBondContact O-CG2 3.36Å; Y767-T771 PolarHBondContact O-N 3.17Å; Y767-T771 PolarHBondContact O-OG1 3.22Å
768R73.9Confident66.6Low134.333 Ų134.33392.8 Ų92.851%0.50748%0.479SS..Hα-helixtrans-61.4-51.5175.2178.6169.885.9162.1-2.6111.8N764 N765 I766 F770 T771 E772N764-R768 WeakPolarHBondContact O-CB 3.34Å; N764-R768 PolarHBondContact O-N 3.26Å; N764-R768 VanDerWaalsContact O-N 3.07Å; N765-R768 PolarHBondContact OD1-NH2 2.96Å; I766-R768 VanDerWaalsContact C-N 3.31Å; I766-R768 PolarHBondContact O-N 3.25Å; R768-F770 VanDerWaalsContact C-N 3.29Å; R768-F770 PolarHBondContact O-N 2.85Å; R768-T771 WeakPolarHBondContact CA-OG1 3.44Å; R768-T771 PolarHBondContact O-N 2.88Å; R768-T771 VanDerWaalsContact O-N 3.11Å; R768-T771 PolarHBondContact O-OG1 3.31Å; R768-E772 WeakPolarHBondContact CD-OE1 3.35Å; R768-E772 HydrophobicContact CG-CG 4.35Å; R768-E772 WeakPolarHBondContact CG-OE1 3.4Å; R768-E772 IonicContact CZ-OE1 3.9Å; R768-E772 IonicContact NE-OE1 3.73Å; R768-E772 PolarHBondContact NE-OE1 3.32Å; R768-E772 IonicContact NH2-OE1 3.85Å; R768-E772 PolarHBondContact NH2-OE1 3.07Å; R768-E772 VanDerWaalsContact NH2-OE1 3.07Å; R768-E772 WeakPolarHBondContact O-CB 3.45Å; R768-E772 WeakPolarHBondContact O-CG 3.33Å; R768-E772 PolarHBondContact O-N 3.25Å
769R76.4Confident69.4Low173 Ų17388.5 Ų88.565%0.65345%0.448SS*.Hα-helixtrans-57.7-41176.8-74.5174.9179.5-178.51.1111.9N765 I766 F773N765-R769 VanDerWaalsContact O-CB 3.28Å; N765-R769 WeakPolarHBondContact O-CB 3.49Å; N765-R769 WeakPolarHBondContact O-CD 3.32Å; N765-R769 WeakPolarHBondContact O-CG 3.39Å; N765-R769 PolarHBondContact O-N 3.26Å; N765-R769 VanDerWaalsContact O-N 3.12Å; I766-R769 PolarHBondContact O-N 3.03Å; R769-F773 VanDerWaalsContact O-CB 3.31Å; R769-F773 WeakPolarHBondContact O-CB 3.41Å; R769-F773 PolarHBondContact O-N 3.18Å
770F75.6Confident72Confident103.667 Ų103.66786.5 Ų86.546%0.45544%0.44SS..Hα-helixtrans-63.8-45.6175.8177-101.4000112.4I766 Y767 R768 F773 M774I766-F770 VanDerWaalsContact O-CB 3.26Å; I766-F770 WeakPolarHBondContact O-CB 3.39Å; I766-F770 PolarHBondContact O-N 3.04Å; Y767-F770 PolarHBondContact O-N 3.05Å; R768-F770 VanDerWaalsContact C-N 3.29Å; R768-F770 PolarHBondContact O-N 2.85Å; F770-F773 PolarHBondContact O-N 3.34Å; F770-M774 HydrophobicContact CD1-CG 4.31Å; F770-M774 HydrophobicContact CD2-CG 4.33Å; F770-M774 HydrophobicContact CE1-CG 3.88Å; F770-M774 HydrophobicContact CE2-CE 4.29Å; F770-M774 HydrophobicContact CE2-CG 3.9Å; F770-M774 HydrophobicContact CE2-SD 4.28Å; F770-M774 HydrophobicContact CG-CG 4.45Å; F770-M774 HydrophobicContact CZ-CG 3.66Å; F770-M774 HydrophobicContact CZ-SD 4.14Å; F770-M774 WeakPolarHBondContact O-CB 3.39Å; F770-M774 VanDerWaalsContact O-CG 3.3Å; F770-M774 WeakPolarHBondContact O-CG 3.37Å; F770-M774 PolarHBondContact O-N 3.14Å
771T75.7Confident74.7Confident52.3333 Ų52.333389.3 Ų89.332%0.32143%0.433SS..Hα-helixtrans-69-37178.553.60000113.1Y767 R768 H775Y767-T771 HydrophobicContact CD1-CG2 4.35Å; Y767-T771 HydrophobicContact CD2-CG2 4.36Å; Y767-T771 HydrophobicContact CE1-CG2 3.91Å; Y767-T771 HydrophobicContact CE2-CG2 3.91Å; Y767-T771 WeakPolarHBondContact O-CB 3.22Å; Y767-T771 WeakPolarHBondContact O-CG2 3.36Å; Y767-T771 PolarHBondContact O-N 3.17Å; Y767-T771 PolarHBondContact O-OG1 3.22Å; R768-T771 WeakPolarHBondContact CA-OG1 3.44Å; R768-T771 PolarHBondContact O-N 2.88Å; R768-T771 VanDerWaalsContact O-N 3.11Å; R768-T771 PolarHBondContact O-OG1 3.31Å; T771-H775 VanDerWaalsContact O-CB 3.23Å; T771-H775 WeakPolarHBondContact O-CB 3.35Å; T771-H775 PolarHBondContact O-N 3.12Å
772E81.1Confident77.2Confident107 Ų10787.5 Ų87.550%0.542%0.416SS..Hα-helixtrans-64.2-42.3172.9-72.6173.9-174.700111.6R768 H775 S776R768-E772 WeakPolarHBondContact CD-OE1 3.35Å; R768-E772 HydrophobicContact CG-CG 4.35Å; R768-E772 WeakPolarHBondContact CG-OE1 3.4Å; R768-E772 IonicContact CZ-OE1 3.9Å; R768-E772 IonicContact NE-OE1 3.73Å; R768-E772 PolarHBondContact NE-OE1 3.32Å; R768-E772 IonicContact NH2-OE1 3.85Å; R768-E772 PolarHBondContact NH2-OE1 3.07Å; R768-E772 VanDerWaalsContact NH2-OE1 3.07Å; R768-E772 WeakPolarHBondContact O-CB 3.45Å; R768-E772 WeakPolarHBondContact O-CG 3.33Å; R768-E772 PolarHBondContact O-N 3.25Å; E772-H775 PolarHBondContact O-N 3.49Å; E772-S776 WeakPolarHBondContact O-CB 3.37Å; E772-S776 PolarHBondContact O-N 3.02Å
773F80.7Confident79.2Confident122.667 Ų122.66784 Ų8454%0.53839%0.394SS..Hα-helixtrans-63.4-49.8174.5173.8-108.4000112.3R769 F770 H775 S776 L777R769-F773 VanDerWaalsContact O-CB 3.31Å; R769-F773 WeakPolarHBondContact O-CB 3.41Å; R769-F773 PolarHBondContact O-N 3.18Å; F770-F773 PolarHBondContact O-N 3.34Å; F773-H775 PolarHBondContact O-N 3.1Å; F773-S776 WeakPolarHBondContact O-CB 3.35Å; F773-S776 PolarHBondContact O-N 3.06Å; F773-S776 VanDerWaalsContact O-N 3.12Å; F773-L777 HydrophobicContact CD1-CD1 4.22Å; F773-L777 HydrophobicContact CE1-CD1 3.86Å; F773-L777 VanDerWaalsContact CE1-CD1 3.48Å; F773-L777 HydrophobicContact CE1-CG 4.25Å; F773-L777 HydrophobicContact CE2-CD1 4.25Å; F773-L777 HydrophobicContact CE2-CG 4.35Å; F773-L777 HydrophobicContact CZ-CD1 3.83Å; F773-L777 HydrophobicContact CZ-CD2 4.48Å; F773-L777 HydrophobicContact CZ-CG 4.23Å; F773-L777 WeakPolarHBondContact O-CB 3.42Å; F773-L777 PolarHBondContact O-N 3.11Å
774M80.5Confident81Confident70.3333 Ų70.333383.8 Ų83.835%0.34640%0.396SS..Hα-helixtrans-60.2-43.9176.5-74.9-64.485.100111.9F770 S776 L777 C778F770-M774 HydrophobicContact CD1-CG 4.31Å; F770-M774 HydrophobicContact CD2-CG 4.33Å; F770-M774 HydrophobicContact CE1-CG 3.88Å; F770-M774 HydrophobicContact CE2-CE 4.29Å; F770-M774 HydrophobicContact CE2-CG 3.9Å; F770-M774 HydrophobicContact CE2-SD 4.28Å; F770-M774 HydrophobicContact CG-CG 4.45Å; F770-M774 HydrophobicContact CZ-CG 3.66Å; F770-M774 HydrophobicContact CZ-SD 4.14Å; F770-M774 WeakPolarHBondContact O-CB 3.39Å; F770-M774 VanDerWaalsContact O-CG 3.3Å; F770-M774 WeakPolarHBondContact O-CG 3.37Å; F770-M774 PolarHBondContact O-N 3.14Å; M774-S776 VanDerWaalsContact C-N 3.33Å; M774-S776 PolarHBondContact O-N 3.11Å; M774-L777 HydrophobicContact CE-CD1 4.03Å; M774-L777 PolarHBondContact O-N 3.12Å; M774-L777 HydrophobicContact SD-CD1 4.12Å; M774-C778 PolarHBondContact O-N 2.99Å; M774-C778 PolarHBondContact O-SG 3.18Å; M774-C778 VanDerWaalsContact O-SG 3.36Å
775H84.9Confident82.3Confident99.6667 Ų99.666785 Ų8546%0.46141%0.405SS..Hα-helixtrans-60.5-44.1175.1177.9-106.2000111.6T771 E772 F773 L777 C778 V779T771-H775 VanDerWaalsContact O-CB 3.23Å; T771-H775 WeakPolarHBondContact O-CB 3.35Å; T771-H775 PolarHBondContact O-N 3.12Å; E772-H775 PolarHBondContact O-N 3.49Å; F773-H775 PolarHBondContact O-N 3.1Å; H775-L777 VanDerWaalsContact C-N 3.31Å; H775-L777 PolarHBondContact O-N 3.25Å; H775-C778 PolarHBondContact O-N 3.26Å; H775-V779 WeakPolarHBondContact O-CB 3.44Å; H775-V779 VanDerWaalsContact O-CG2 3.28Å; H775-V779 WeakPolarHBondContact O-CG2 3.34Å; H775-V779 PolarHBondContact O-N 3.01Å
776S82.2Confident83.3Confident76 Ų7681.2 Ų81.253%0.53138%0.384SS..Hα-helixtrans-62-39.6176.3-167.50000112.7E772 F773 M774 K780E772-S776 WeakPolarHBondContact O-CB 3.37Å; E772-S776 PolarHBondContact O-N 3.02Å; F773-S776 WeakPolarHBondContact O-CB 3.35Å; F773-S776 PolarHBondContact O-N 3.06Å; F773-S776 VanDerWaalsContact O-N 3.12Å; M774-S776 VanDerWaalsContact C-N 3.33Å; M774-S776 PolarHBondContact O-N 3.11Å; S776-K780 VanDerWaalsContact O-CB 3.27Å; S776-K780 WeakPolarHBondContact O-CB 3.42Å; S776-K780 PolarHBondContact O-N 3.16Å; S776-K780 VanDerWaalsContact O-N 3.09Å
777L84.7Confident84.2Confident67.6667 Ų67.666776.1 Ų76.135%0.35436%0.359SS..Hα-helixtrans-65.6-49.3175.2-99.2175.5000111.5F773 M774 H775 K780 Y781F773-L777 HydrophobicContact CD1-CD1 4.22Å; F773-L777 HydrophobicContact CE1-CD1 3.86Å; F773-L777 VanDerWaalsContact CE1-CD1 3.48Å; F773-L777 HydrophobicContact CE1-CG 4.25Å; F773-L777 HydrophobicContact CE2-CD1 4.25Å; F773-L777 HydrophobicContact CE2-CG 4.35Å; F773-L777 HydrophobicContact CZ-CD1 3.83Å; F773-L777 HydrophobicContact CZ-CD2 4.48Å; F773-L777 HydrophobicContact CZ-CG 4.23Å; F773-L777 WeakPolarHBondContact O-CB 3.42Å; F773-L777 PolarHBondContact O-N 3.11Å; M774-L777 HydrophobicContact CE-CD1 4.03Å; M774-L777 PolarHBondContact O-N 3.12Å; M774-L777 HydrophobicContact SD-CD1 4.12Å; H775-L777 VanDerWaalsContact C-N 3.31Å; H775-L777 PolarHBondContact O-N 3.25Å; L777-K780 PolarHBondContact O-N 3.22Å; L777-K780 VanDerWaalsContact O-N 3.16Å; L777-Y781 HydrophobicContact CD2-CD2 4.2Å; L777-Y781 HydrophobicContact CD2-CE2 4.07Å; L777-Y781 HydrophobicContact CG-CD2 4.26Å; L777-Y781 WeakPolarHBondContact O-CD2 3.4Å; L777-Y781 PolarHBondContact O-N 3.16Å
778C88.7Confident85.2Confident33.6667 Ų33.666778 Ų7823%0.22737%0.374CS..Hα-helixtrans-59.4-49.9177.2-67.90000111.4M774 H775 K780 Y781 W782 F903M774-C778 PolarHBondContact O-N 2.99Å; M774-C778 PolarHBondContact O-SG 3.18Å; M774-C778 VanDerWaalsContact O-SG 3.36Å; H775-C778 PolarHBondContact O-N 3.26Å; C778-K780 PolarHBondContact O-N 3.13Å; C778-K780 VanDerWaalsContact O-N 3.15Å; C778-Y781 PolarHBondContact O-N 3.32Å; C778-W782 HydrophobicContact CB-CE3 4.35Å; C778-W782 WeakPolarHBondContact O-CB 3.4Å; C778-W782 PolarHBondContact O-N 3.19Å; C778-F903 HydrophobicContact CB-CD1 4.06Å; C778-F903 HydrophobicContact CB-CE1 3.47Å; C778-F903 VanDerWaalsContact CB-CE1 3.47Å; C778-F903 HydrophobicContact CB-CE2 4.29Å; C778-F903 HydrophobicContact CB-CZ 3.61Å
779V88.6Confident86Confident16 Ų1672.7 Ų72.710%0.09736%0.357CS..Hα-helixtrans-55.6-34.9176.8165.90000112.5H775 F903 P906 F907 A910H775-V779 WeakPolarHBondContact O-CB 3.44Å; H775-V779 VanDerWaalsContact O-CG2 3.28Å; H775-V779 WeakPolarHBondContact O-CG2 3.34Å; H775-V779 PolarHBondContact O-N 3.01Å; V779-F903 HydrophobicContact CG2-CD1 3.91Å; V779-P906 HydrophobicContact CB-CB 4.22Å; V779-P906 HydrophobicContact CG1-CB 3.51Å; V779-P906 HydrophobicContact CG2-CB 3.57Å; V779-P906 HydrophobicContact CG2-CG 4.19Å; V779-F907 WeakPolarHBondContact O-CD2 3.42Å; V779-A910 HydrophobicContact CG1-CB 4.5Å
780K86.4Confident86.7Confident120 Ų12064.4 Ų64.452%0.52233%0.326SS..Hα-helixtrans-79.7-35.4-179.6-174.3177.9174.1-159.50113.6S776 L777 C778S776-K780 VanDerWaalsContact O-CB 3.27Å; S776-K780 WeakPolarHBondContact O-CB 3.42Å; S776-K780 PolarHBondContact O-N 3.16Å; S776-K780 VanDerWaalsContact O-N 3.09Å; L777-K780 PolarHBondContact O-N 3.22Å; L777-K780 VanDerWaalsContact O-N 3.16Å; C778-K780 PolarHBondContact O-N 3.13Å; C778-K780 VanDerWaalsContact O-N 3.15Å
781Y89.5Confident87.4Confident116 Ų11661.5 Ų61.546%0.45532%0.315SS..Hα-helixtrans-119.3-11.9-166.6-66.7-72.4000115.9L777 C778 I783 V784 V785L777-Y781 HydrophobicContact CD2-CD2 4.2Å; L777-Y781 HydrophobicContact CD2-CE2 4.07Å; L777-Y781 HydrophobicContact CG-CD2 4.26Å; L777-Y781 WeakPolarHBondContact O-CD2 3.4Å; L777-Y781 PolarHBondContact O-N 3.16Å; C778-Y781 PolarHBondContact O-N 3.32Å; Y781-I783 PolarHBondContact O-N 3.16Å; Y781-V784 VanDerWaalsContact O-CB 3.31Å; Y781-V784 WeakPolarHBondContact O-CB 3.37Å; Y781-V784 PolarHBondContact O-N 3.26Å; Y781-V785 PolarHBondContact O-N 3.41Å
782W93.2Very high88Confident51.3333 Ų51.333363.7 Ų63.719%0.19432%0.324CS..Hα-helixtrans-61.3-30.1-175.3-163.8-86.3000113.4C778 V784 V785 C786 V895 L898 Q899 F903C778-W782 HydrophobicContact CB-CE3 4.35Å; C778-W782 WeakPolarHBondContact O-CB 3.4Å; C778-W782 PolarHBondContact O-N 3.19Å; W782-V784 PolarHBondContact O-N 3.14Å; W782-V785 WeakPolarHBondContact O-CA 3.26Å; W782-V785 WeakPolarHBondContact O-CB 3.35Å; W782-V785 PolarHBondContact O-N 2.94Å; W782-C786 VanDerWaalsContact CD1-SG 3.52Å; W782-C786 PolarHBondContact O-N 3.28Å; W782-C786 PolarHBondContact O-SG 3.21Å; W782-C786 VanDerWaalsContact O-SG 3.34Å; W782-V895 HydrophobicContact CZ2-CG1 4.27Å; W782-V895 HydrophobicContact CZ2-CG2 4.49Å; W782-V895 PolarHBondContact NE1-O 3.04Å; W782-L898 HydrophobicContact CH2-CD1 4.1Å; W782-L898 HydrophobicContact CZ2-CB 3.91Å; W782-L898 HydrophobicContact CZ2-CD1 3.72Å; W782-L898 HydrophobicContact CZ2-CG 4.47Å; W782-Q899 VanDerWaalsContact CD1-OE1 3.31Å; W782-F903 HydrophobicContact CB-CB 4.45Å; W782-F903 HydrophobicContact CB-CD2 3.79Å; W782-F903 HydrophobicContact CB-CE2 4.34Å; W782-F903 HydrophobicContact CB-CG 4.24Å; W782-F903 AromaticContact CD1-CD2 3.68Å; W782-F903 AromaticContact CD2-CD2 3.69Å; W782-F903 HydrophobicContact CD2-CD2 3.69Å; W782-F903 AromaticContact CD2-CE2 3.48Å; W782-F903 HydrophobicContact CD2-CE2 3.48Å; W782-F903 VanDerWaalsContact CD2-CE2 3.47Å; W782-F903 HydrophobicContact CD2-CZ 4.46Å; W782-F903 AromaticContact CE2-CE2 3.83Å; W782-F903 HydrophobicContact CE3-CD2 4.31Å; W782-F903 AromaticContact CE3-CE2 3.72Å; W782-F903 HydrophobicContact CE3-CE2 3.72Å; W782-F903 HydrophobicContact CE3-CZ 4.37Å; W782-F903 AromaticContact CG-CD2 3.42Å; W782-F903 HydrophobicContact CG-CD2 3.42Å; W782-F903 VanDerWaalsContact CG-CD2 3.42Å; W782-F903 AromaticContact CG-CE2 3.78Å; W782-F903 HydrophobicContact CG-CE2 3.78Å; W782-F903 HydrophobicContact CG-CG 4.32Å; W782-F903 HydrophobicContact CZ2-CE2 4.35Å; W782-F903 HydrophobicContact CZ3-CE2 4.25Å; W782-F903 AromaticContact NE1-CD2 3.99Å
783I90.8Very high88.4Confident16.6667 Ų16.666758.8 Ų58.89%0.08530%0.301CS..Hα-helixtrans-58.7-33.7172.5-165.1169.5000112.8Y781 C786 C787 F813 W824 M828 W832 F907Y781-I783 PolarHBondContact O-N 3.16Å; I783-C786 WeakPolarHBondContact O-CB 3.35Å; I783-C786 PolarHBondContact O-N 3.34Å; I783-C787 PolarHBondContact O-N 3.18Å; I783-C787 PolarHBondContact O-SG 3.1Å; I783-C787 VanDerWaalsContact O-SG 3.33Å; I783-F813 HydrophobicContact CD1-CZ 4.29Å; I783-W824 HydrophobicContact CD1-CH2 3.78Å; I783-W824 HydrophobicContact CD1-CZ2 3.71Å; I783-M828 HydrophobicContact CD1-CE 3.56Å; I783-M828 HydrophobicContact CD1-SD 4.06Å; I783-M828 HydrophobicContact CG1-CE 4.2Å; I783-W832 HydrophobicContact CG1-CZ2 4.2Å; I783-F907 HydrophobicContact CB-CE2 4.3Å; I783-F907 HydrophobicContact CB-CZ 4.49Å; I783-F907 HydrophobicContact CD1-CD1 4.36Å; I783-F907 HydrophobicContact CD1-CE1 3.73Å; I783-F907 HydrophobicContact CD1-CE2 4.28Å; I783-F907 HydrophobicContact CD1-CZ 3.65Å; I783-F907 HydrophobicContact CG2-CD2 4.31Å; I783-F907 HydrophobicContact CG2-CE2 3.65Å; I783-F907 HydrophobicContact CG2-CZ 4.01Å
784V91Very high88.8Confident87.3333 Ų87.333352.9 Ų52.953%0.52928%0.276SS..Hα-helixtrans-70.7-38.1175.7-172.90000110.1Y781 W782 C786 C787 L788Y781-V784 VanDerWaalsContact O-CB 3.31Å; Y781-V784 WeakPolarHBondContact O-CB 3.37Å; Y781-V784 PolarHBondContact O-N 3.26Å; W782-V784 PolarHBondContact O-N 3.14Å; V784-C786 VanDerWaalsContact C-N 3.35Å; V784-C787 PolarHBondContact O-N 3.03Å; V784-L788 VanDerWaalsContact O-CB 3.25Å; V784-L788 WeakPolarHBondContact O-CB 3.35Å; V784-L788 PolarHBondContact O-N 2.87Å
785V91.7Very high89.1Confident64 Ų6450.8 Ų50.839%0.38827%0.266SS..Hα-helixtrans-61.9-43.3173.2-174.90000110.6Y781 W782 L788 S789 V895Y781-V785 PolarHBondContact O-N 3.41Å; W782-V785 WeakPolarHBondContact O-CA 3.26Å; W782-V785 WeakPolarHBondContact O-CB 3.35Å; W782-V785 PolarHBondContact O-N 2.94Å; V785-L788 PolarHBondContact O-N 2.95Å; V785-S789 VanDerWaalsContact O-CB 3.31Å; V785-S789 WeakPolarHBondContact O-CB 3.41Å; V785-S789 PolarHBondContact O-N 3.13Å; V785-S789 PolarHBondContact O-OG 3.02Å; V785-S789 VanDerWaalsContact O-OG 3.12Å; V785-V895 HydrophobicContact CG1-CG1 4.23Å
786C92.8Very high89.1Confident0 Ų047.7 Ų47.70%025%0.252CS..Hα-helixtrans-58.8-50.9174.1-62.70000112W782 I783 V784 L788 S789 M790 W832 I896 Q899W782-C786 VanDerWaalsContact CD1-SG 3.52Å; W782-C786 PolarHBondContact O-N 3.28Å; W782-C786 PolarHBondContact O-SG 3.21Å; W782-C786 VanDerWaalsContact O-SG 3.34Å; I783-C786 WeakPolarHBondContact O-CB 3.35Å; I783-C786 PolarHBondContact O-N 3.34Å; V784-C786 VanDerWaalsContact C-N 3.35Å; C786-L788 PolarHBondContact O-N 3.03Å; C786-S789 PolarHBondContact O-N 3.27Å; C786-S789 PolarHBondContact O-OG 3.21Å; C786-M790 PolarHBondContact O-N 3.15Å; C786-W832 HydrophobicContact CB-CH2 3.62Å; C786-W832 HydrophobicContact CB-CZ2 4.31Å; C786-W832 HydrophobicContact CB-CZ3 3.99Å; C786-I896 HydrophobicContact CB-CD1 3.66Å; C786-Q899 VanDerWaalsContact SG-CB 3.56Å
787C91.5Very high89.1Confident14.6667 Ų14.666747.3 Ų47.310%0.09924%0.242CC..Hα-helixtrans-64.6-39.9179.8-64.30000112.7I783 V784 M790 L791 L810 M814I783-C787 PolarHBondContact O-N 3.18Å; I783-C787 PolarHBondContact O-SG 3.1Å; I783-C787 VanDerWaalsContact O-SG 3.33Å; V784-C787 PolarHBondContact O-N 3.03Å; C787-M790 PolarHBondContact O-N 3.13Å; C787-L791 PolarHBondContact O-N 3.19Å; C787-L810 HydrophobicContact CB-CD1 4.37Å; C787-M814 HydrophobicContact CB-CE 3.64Å; C787-M814 VanDerWaalsContact SG-CE 3.51Å; C787-M814 WeakPolarHBondContact SG-CE 3.29Å
788L90.1Very high89.1Confident112.333 Ų112.33346.9 Ų46.959%0.58824%0.243SC*.Hα-helixtrans-65.7-40.9175.4-179.961.3000111.9V784 V785 C786 L791 L792V784-L788 VanDerWaalsContact O-CB 3.25Å; V784-L788 WeakPolarHBondContact O-CB 3.35Å; V784-L788 PolarHBondContact O-N 2.87Å; V785-L788 PolarHBondContact O-N 2.95Å; C786-L788 PolarHBondContact O-N 3.03Å; L788-L791 PolarHBondContact O-N 3.23Å; L788-L792 WeakPolarHBondContact O-CB 3.42Å; L788-L792 PolarHBondContact O-N 3.07Å
789S90.4Very high89Confident22 Ų2246 Ų4615%0.15424%0.237CC..Hα-helixtrans-65-39.3176.168.40000112V785 C786 L792 V793 F892V785-S789 VanDerWaalsContact O-CB 3.31Å; V785-S789 WeakPolarHBondContact O-CB 3.41Å; V785-S789 PolarHBondContact O-N 3.13Å; V785-S789 PolarHBondContact O-OG 3.02Å; V785-S789 VanDerWaalsContact O-OG 3.12Å; C786-S789 PolarHBondContact O-N 3.27Å; C786-S789 PolarHBondContact O-OG 3.21Å; S789-L792 WeakPolarHBondContact O-CB 3.45Å; S789-L792 PolarHBondContact O-N 3.15Å; S789-V793 VanDerWaalsContact O-CG2 3.25Å; S789-V793 WeakPolarHBondContact O-CG2 3.39Å; S789-V793 PolarHBondContact O-N 3.2Å; S789-F892 WeakPolarHBondContact OG-CD2 3.37Å
790M91.3Very high89Confident0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-65.7-40.1174.6-170.5160.445.100112.1C786 C787 L792 V793 S794 M809 L810 F831 I835 F892C786-M790 PolarHBondContact O-N 3.15Å; C787-M790 PolarHBondContact O-N 3.13Å; M790-L792 VanDerWaalsContact C-N 3.33Å; M790-L792 PolarHBondContact O-N 3.01Å; M790-V793 PolarHBondContact O-N 3.12Å; M790-S794 WeakPolarHBondContact O-CB 3.41Å; M790-S794 PolarHBondContact O-N 3.1Å; M790-S794 VanDerWaalsContact O-N 3.11Å; M790-S794 PolarHBondContact O-OG 3.37Å; M790-M809 HydrophobicContact SD-CB 4.41Å; M790-L810 HydrophobicContact CE-CB 3.86Å; M790-L810 HydrophobicContact CE-CD1 3.83Å; M790-L810 HydrophobicContact CE-CG 4.43Å; M790-L810 HydrophobicContact CG-CB 4.17Å; M790-L810 HydrophobicContact SD-CB 4.23Å; M790-F831 HydrophobicContact CE-CE1 4.3Å; M790-F831 HydrophobicContact CE-CZ 4.07Å; M790-I835 HydrophobicContact CE-CD1 4.1Å; M790-I835 HydrophobicContact SD-CD1 3.57Å; M790-I835 VanDerWaalsContact SD-CD1 3.57Å; M790-F892 HydrophobicContact CB-CE2 3.72Å; M790-F892 HydrophobicContact CB-CZ 4.02Å; M790-F892 HydrophobicContact CG-CE2 4.31Å; M790-F892 HydrophobicContact CG-CZ 4.11Å; M790-F892 HydrophobicContact SD-CZ 4.27Å
791L89.7Confident89.1Confident41 Ų4141.7 Ų41.722%0.21522%0.221CC..Hα-helixtrans-62.5-42.2172.8-178.162.1000111.6C787 L788 S794 V795 M807 L810C787-L791 PolarHBondContact O-N 3.19Å; L788-L791 PolarHBondContact O-N 3.23Å; L791-S794 PolarHBondContact O-N 2.93Å; L791-V795 HydrophobicContact CD1-CG2 4.02Å; L791-V795 HydrophobicContact CG-CG2 4.47Å; L791-V795 WeakPolarHBondContact O-CG2 3.48Å; L791-V795 PolarHBondContact O-N 3.2Å; L791-V795 VanDerWaalsContact O-N 3.08Å; L791-M807 HydrophobicContact CD1-CE 4.26Å; L791-M807 HydrophobicContact CD1-SD 4.15Å; L791-L810 HydrophobicContact CB-CD2 3.77Å; L791-L810 HydrophobicContact CD1-CD2 3.85Å; L791-L810 HydrophobicContact CG-CD2 4.37Å
792L89Confident89Confident98.6667 Ų98.666736.9 Ų36.952%0.51720%0.202SC..Hα-helixtrans-62.2-45.2177.5-173.897.2000111.7L788 S789 M790 S794 V795 Q796L788-L792 WeakPolarHBondContact O-CB 3.42Å; L788-L792 PolarHBondContact O-N 3.07Å; S789-L792 WeakPolarHBondContact O-CB 3.45Å; S789-L792 PolarHBondContact O-N 3.15Å; M790-L792 VanDerWaalsContact C-N 3.33Å; M790-L792 PolarHBondContact O-N 3.01Å; L792-S794 VanDerWaalsContact C-N 3.31Å; L792-S794 PolarHBondContact O-N 3.27Å; L792-V795 PolarHBondContact O-N 3.33Å; L792-Q796 WeakPolarHBondContact O-CG 3.25Å; L792-Q796 PolarHBondContact O-N 3.25Å
793V88.6Confident88.9Confident4.33333 Ų4.3333334.8 Ų34.83%0.02619%0.194CC..Hα-helixtrans-59-42.2175.8173.30000111.2S789 M790 R803 Y806 T888 F892S789-V793 VanDerWaalsContact O-CG2 3.25Å; S789-V793 WeakPolarHBondContact O-CG2 3.39Å; S789-V793 PolarHBondContact O-N 3.2Å; M790-V793 PolarHBondContact O-N 3.12Å; V793-R803 WeakPolarHBondContact O-CD 3.41Å; V793-R803 WeakPolarHBondContact O-CG 3.33Å; V793-R803 PolarHBondContact O-NE 3.07Å; V793-Y806 HydrophobicContact CG1-CD2 3.59Å; V793-Y806 HydrophobicContact CG1-CE2 3.85Å; V793-Y806 HydrophobicContact CG1-CG 4.12Å; V793-T888 HydrophobicContact CB-CG2 4.47Å; V793-T888 HydrophobicContact CG1-CG2 4.48Å; V793-T888 HydrophobicContact CG2-CG2 3.74Å; V793-F892 HydrophobicContact CG2-CB 3.92Å; V793-F892 HydrophobicContact CG2-CD2 4.12Å; V793-F892 HydrophobicContact CG2-CG 3.95Å
794S88.6Confident88.9Confident0 Ų034.7 Ų34.70%019%0.194CC..Hα-helixtrans-69.5-32.7-179.6-64.70000114.4M790 L791 L792 R803 Y806 M807 M1041M790-S794 WeakPolarHBondContact O-CB 3.41Å; M790-S794 PolarHBondContact O-N 3.1Å; M790-S794 VanDerWaalsContact O-N 3.11Å; M790-S794 PolarHBondContact O-OG 3.37Å; L791-S794 PolarHBondContact O-N 2.93Å; L792-S794 VanDerWaalsContact C-N 3.31Å; L792-S794 PolarHBondContact O-N 3.27Å; S794-R803 PolarHBondContact OG-O 3.08Å; S794-Y806 VanDerWaalsContact OG-C 3.31Å; S794-Y806 VanDerWaalsContact OG-CB 3.26Å; S794-Y806 WeakPolarHBondContact OG-CB 3.3Å; S794-M807 WeakPolarHBondContact OG-CA 3.24Å; S794-M807 PolarHBondContact OG-N 3.26Å; S794-M807 VanDerWaalsContact OG-N 3.14Å; S794-M1041 VanDerWaalsContact O-CE 3.25Å; S794-M1041 WeakPolarHBondContact O-CE 3.38Å
795V86.8Confident89Confident25 Ų2532.6 Ų32.615%0.15218%0.181CC..Hα-helixtrans-91.9-6-174.8176.70000113L791 L792 R1081 I1084L791-V795 HydrophobicContact CD1-CG2 4.02Å; L791-V795 HydrophobicContact CG-CG2 4.47Å; L791-V795 WeakPolarHBondContact O-CG2 3.48Å; L791-V795 PolarHBondContact O-N 3.2Å; L791-V795 VanDerWaalsContact O-N 3.08Å; L792-V795 PolarHBondContact O-N 3.33Å; V795-R1081 HydrophobicContact CG1-CB 4.15Å; V795-R1081 HydrophobicContact CG1-CG 3.96Å; V795-I1084 HydrophobicContact CG1-CG2 4.09Å; V795-I1084 HydrophobicContact CG2-CG2 4.29Å
796Q85.6Confident89Confident35.6667 Ų35.666729.6 Ų29.617%0.16716%0.163CC..SBendtrans-64.7149.7171.4-80.3-178.7-1.600112.8L792 R803 T888L792-Q796 WeakPolarHBondContact O-CG 3.25Å; L792-Q796 PolarHBondContact O-N 3.25Å; Q796-R803 VanDerWaalsContact CB-CZ 3.45Å; Q796-R803 VanDerWaalsContact O-CD 3.29Å; Q796-R803 WeakPolarHBondContact O-CD 3.45Å; Q796-R803 PolarHBondContact O-NH1 3.45Å; Q796-T888 PolarHBondContact NE2-OG1 2.93Å
797Q81.6Confident89Confident67.3333 Ų67.333329.9 Ų29.932%0.31516%0.164SC..SBendtrans-104.9156.1-178.1-65.7174-90.800112R803 R885 D1078 F1080Q797-R803 PolarHBondContact O-NH1 2.93Å; Q797-R885 PolarHBondContact O-NH1 3.18Å; Q797-D1078 PolarHBondContact NE2-O 3.41Å; Q797-F1080 HydrophobicContact CG-CB 4.29Å
798P85.1Confident89.1Confident58 Ų5832.2 Ų32.238%0.37718%0.177SC..SBendcis-64.5162.4-9.931.1-36.4000112V800 R803 R885P798-V800 HydrophobicContact CG-CG1 4.29Å; P798-R803 PolarHBondContact O-NH1 3.19Å; P798-R885 VanDerWaalsContact CD-NH2 3.33Å
799V86Confident89.3Confident14.6667 Ų14.666729.2 Ų29.29%0.08916%0.161CC..  trans-77.2125.8173.6-175.70000108.4I804 M1041 Q1044 F1080V799-I804 HydrophobicContact CG1-CD1 4.2Å; V799-I804 HydrophobicContact CG1-CG1 4.07Å; V799-M1041 HydrophobicContact CG1-CB 4.27Å; V799-M1041 HydrophobicContact CG1-CE 4.2Å; V799-M1041 WeakPolarHBondContact CG1-O 3.4Å; V799-Q1044 HydrophobicContact CB-CB 3.91Å; V799-Q1044 HydrophobicContact CG1-CB 4.4Å; V799-Q1044 HydrophobicContact CG2-CB 3.91Å; V799-Q1044 HydrophobicContact CG2-CG 4.16Å; V799-F1080 HydrophobicContact CG2-CD1 4.02Å; V799-F1080 HydrophobicContact CG2-CD2 4.48Å; V799-F1080 HydrophobicContact CG2-CE1 4.42Å; V799-F1080 HydrophobicContact CG2-CG 4.08Å
800V88.4Confident89.4Confident8.66667 Ų8.6666728.4 Ų28.45%0.05316%0.155CC..  trans-139.5151.7-175.6-69.20000109.4P798 F802 R803 I804 A871P798-V800 HydrophobicContact CG-CG1 4.29Å; V800-F802 VanDerWaalsContact C-N 3.25Å; V800-F802 HydrophobicContact CB-CD1 4.42Å; V800-F802 HydrophobicContact CB-CE1 4.43Å; V800-F802 HydrophobicContact CG2-CD1 3.72Å; V800-F802 HydrophobicContact CG2-CD2 4.46Å; V800-F802 HydrophobicContact CG2-CE1 3.51Å; V800-F802 VanDerWaalsContact CG2-CE1 3.49Å; V800-F802 HydrophobicContact CG2-CE2 4.28Å; V800-F802 HydrophobicContact CG2-CG 4.2Å; V800-F802 HydrophobicContact CG2-CZ 3.81Å; V800-F802 PolarHBondContact O-N 2.92Å; V800-F802 VanDerWaalsContact O-N 3.1Å; V800-R803 HydrophobicContact CG2-CB 4.22Å; V800-R803 HydrophobicContact CG2-CG 3.85Å; V800-R803 WeakPolarHBondContact O-CA 3.41Å; V800-R803 WeakPolarHBondContact O-CB 3.38Å; V800-R803 PolarHBondContact O-N 2.99Å; V800-I804 PolarHBondContact O-N 3.31Å; V800-A871 WeakPolarHBondContact CA-O 3.4Å
801V89Confident89.6Confident39 Ų3929.1 Ų29.124%0.23616%0.158CC..Hα-helixtrans-54-38.2-170.2179.10000112.8R803 I804 V805 A871 F872 L1045V801-R803 VanDerWaalsContact C-N 3.3Å; V801-R803 PolarHBondContact O-N 3.15Å; V801-I804 WeakPolarHBondContact O-CA 3.41Å; V801-I804 WeakPolarHBondContact O-CB 3.41Å; V801-I804 PolarHBondContact O-N 3.33Å; V801-I804 VanDerWaalsContact O-N 3.08Å; V801-V805 HydrophobicContact CG1-CG2 4.44Å; V801-V805 WeakPolarHBondContact O-CG2 3.42Å; V801-V805 PolarHBondContact O-N 3.22Å; V801-A871 PolarHBondContact N-O 3.12Å; V801-F872 HydrophobicContact CB-CD1 3.72Å; V801-F872 HydrophobicContact CB-CE1 4.19Å; V801-F872 HydrophobicContact CB-CG 4.4Å; V801-F872 HydrophobicContact CG1-CD1 3.87Å; V801-F872 HydrophobicContact CG1-CE1 3.88Å; V801-F872 HydrophobicContact CG2-CD1 3.95Å; V801-F872 HydrophobicContact CG2-CE1 4.27Å; V801-F872 HydrophobicContact CG2-CG 4.31Å; V801-L1045 HydrophobicContact CG2-CD1 4.2Å; V801-L1045 HydrophobicContact CG2-CD2 4.13Å
802F87.8Confident89.8Confident15.25 Ų15.2531.9 Ų31.97%0.06717%0.167CC..Hα-helixtrans-64.4-31.2178.575.5-108.6000113.9V800 V805 Y806 Y838 M842 I846 F872V800-F802 VanDerWaalsContact C-N 3.25Å; V800-F802 HydrophobicContact CB-CD1 4.42Å; V800-F802 HydrophobicContact CB-CE1 4.43Å; V800-F802 HydrophobicContact CG2-CD1 3.72Å; V800-F802 HydrophobicContact CG2-CD2 4.46Å; V800-F802 HydrophobicContact CG2-CE1 3.51Å; V800-F802 VanDerWaalsContact CG2-CE1 3.49Å; V800-F802 HydrophobicContact CG2-CE2 4.28Å; V800-F802 HydrophobicContact CG2-CG 4.2Å; V800-F802 HydrophobicContact CG2-CZ 3.81Å; V800-F802 PolarHBondContact O-N 2.92Å; V800-F802 VanDerWaalsContact O-N 3.1Å; F802-V805 PolarHBondContact O-N 2.96Å; F802-Y806 HydrophobicContact CD2-CD2 4.34Å; F802-Y806 AromaticContact CD2-CE2 3.99Å; F802-Y806 HydrophobicContact CD2-CE2 4.13Å; F802-Y806 WeakPolarHBondContact O-CD2 3.29Å; F802-Y806 PolarHBondContact O-N 3.26Å; F802-Y806 VanDerWaalsContact O-N 3.16Å; F802-Y838 VanDerWaalsContact CA-OH 3.31Å; F802-Y838 WeakPolarHBondContact CA-OH 3.31Å; F802-Y838 WeakPolarHBondContact CB-OH 3.42Å; F802-Y838 PolarHBondContact O-OH 2.82Å; F802-M842 HydrophobicContact CB-CE 3.53Å; F802-M842 VanDerWaalsContact CB-CE 3.49Å; F802-M842 HydrophobicContact CB-CG 4.29Å; F802-M842 HydrophobicContact CB-SD 3.88Å; F802-M842 HydrophobicContact CD1-CE 3.75Å; F802-M842 HydrophobicContact CG-CE 3.78Å; F802-I846 HydrophobicContact CD1-CD1 4.48Å; F802-I846 HydrophobicContact CE1-CD1 3.96Å; F802-I846 HydrophobicContact CZ-CD1 4.01Å; F802-F872 WeakPolarHBondContact CD1-O 3.3Å
803R90.6Very high90.1Very high6.5 Ų6.527.6 Ų27.63%0.02514%0.144CC..Hα-helixtrans-72-33172.4-70.5-175.7171.9145.8-6.8111.9V793 S794 Q796 Q797 P798 V800 V801 V805 Y806 M807V793-R803 WeakPolarHBondContact O-CD 3.41Å; V793-R803 WeakPolarHBondContact O-CG 3.33Å; V793-R803 PolarHBondContact O-NE 3.07Å; S794-R803 PolarHBondContact OG-O 3.08Å; Q796-R803 VanDerWaalsContact CB-CZ 3.45Å; Q796-R803 VanDerWaalsContact O-CD 3.29Å; Q796-R803 WeakPolarHBondContact O-CD 3.45Å; Q796-R803 PolarHBondContact O-NH1 3.45Å; Q797-R803 PolarHBondContact O-NH1 2.93Å; P798-R803 PolarHBondContact O-NH1 3.19Å; V800-R803 HydrophobicContact CG2-CB 4.22Å; V800-R803 HydrophobicContact CG2-CG 3.85Å; V800-R803 WeakPolarHBondContact O-CA 3.41Å; V800-R803 WeakPolarHBondContact O-CB 3.38Å; V800-R803 PolarHBondContact O-N 2.99Å; V801-R803 VanDerWaalsContact C-N 3.3Å; V801-R803 PolarHBondContact O-N 3.15Å; R803-V805 VanDerWaalsContact C-N 3.34Å; R803-Y806 PolarHBondContact O-N 3.21Å; R803-M807 PolarHBondContact O-N 3.15Å; R803-M807 VanDerWaalsContact O-N 3.11Å
804I92.1Very high90.3Very high15.25 Ų15.2528.5 Ų28.58%0.07815%0.149CC..Hα-helixtrans-64.9-41.8171.5-53.3-178.7000110.3V799 V800 V801 Y806 M807 V808 L1038 M1041 T1042 L1045V799-I804 HydrophobicContact CG1-CD1 4.2Å; V799-I804 HydrophobicContact CG1-CG1 4.07Å; V800-I804 PolarHBondContact O-N 3.31Å; V801-I804 WeakPolarHBondContact O-CA 3.41Å; V801-I804 WeakPolarHBondContact O-CB 3.41Å; V801-I804 PolarHBondContact O-N 3.33Å; V801-I804 VanDerWaalsContact O-N 3.08Å; I804-Y806 PolarHBondContact O-N 3.12Å; I804-M807 CarbonylContact O-C 3.51Å; I804-M807 WeakPolarHBondContact O-CA 3.38Å; I804-M807 WeakPolarHBondContact O-CB 3.36Å; I804-M807 PolarHBondContact O-N 3.11Å; I804-M807 VanDerWaalsContact O-N 3.09Å; I804-V808 HydrophobicContact CG2-CG2 4.49Å; I804-V808 WeakPolarHBondContact O-CG2 3.35Å; I804-V808 PolarHBondContact O-N 3.25Å; I804-L1038 HydrophobicContact CG2-CD2 4.08Å; I804-M1041 HydrophobicContact CD1-CB 4.27Å; I804-M1041 HydrophobicContact CG1-CB 4.16Å; I804-M1041 HydrophobicContact CG1-CE 4.12Å; I804-T1042 HydrophobicContact CD1-CG2 3.99Å; I804-T1042 HydrophobicContact CG2-CG2 4.49Å; I804-L1045 HydrophobicContact CD1-CD1 3.96Å; I804-L1045 HydrophobicContact CD1-CD2 3.94Å; I804-L1045 HydrophobicContact CD1-CG 4.05Å
805V92.3Very high90.6Very high43.25 Ų43.2530.6 Ų30.626%0.26216%0.159SC..Hα-helixtrans-62-41.6176.31750000111.9V801 F802 R803 M807 V808 M809 Y838V801-V805 HydrophobicContact CG1-CG2 4.44Å; V801-V805 WeakPolarHBondContact O-CG2 3.42Å; V801-V805 PolarHBondContact O-N 3.22Å; F802-V805 PolarHBondContact O-N 2.96Å; R803-V805 VanDerWaalsContact C-N 3.34Å; V805-M807 VanDerWaalsContact C-N 3.28Å; V805-M807 PolarHBondContact O-N 3.13Å; V805-V808 PolarHBondContact O-N 3.13Å; V805-M809 HydrophobicContact CG1-CE 4.49Å; V805-M809 HydrophobicContact CG1-CG 4.48Å; V805-M809 WeakPolarHBondContact O-CG 3.3Å; V805-M809 PolarHBondContact O-N 3.09Å; V805-Y838 HydrophobicContact CB-CE1 4.28Å; V805-Y838 WeakPolarHBondContact CB-OH 3.39Å; V805-Y838 HydrophobicContact CG1-CD1 4.46Å; V805-Y838 HydrophobicContact CG1-CE1 3.81Å; V805-Y838 HydrophobicContact CG1-CE2 3.95Å
806Y91.9Very high90.9Very high1 Ų130.6 Ų30.60%0.00416%0.158CC..Hα-helixtrans-59.9-36.8171.3-74-62.1000112.4V793 S794 F802 R803 I804 M809 L810 Y838 S839 F892V793-Y806 HydrophobicContact CG1-CD2 3.59Å; V793-Y806 HydrophobicContact CG1-CE2 3.85Å; V793-Y806 HydrophobicContact CG1-CG 4.12Å; S794-Y806 VanDerWaalsContact OG-C 3.31Å; S794-Y806 VanDerWaalsContact OG-CB 3.26Å; S794-Y806 WeakPolarHBondContact OG-CB 3.3Å; F802-Y806 HydrophobicContact CD2-CD2 4.34Å; F802-Y806 AromaticContact CD2-CE2 3.99Å; F802-Y806 HydrophobicContact CD2-CE2 4.13Å; F802-Y806 WeakPolarHBondContact O-CD2 3.29Å; F802-Y806 PolarHBondContact O-N 3.26Å; F802-Y806 VanDerWaalsContact O-N 3.16Å; R803-Y806 PolarHBondContact O-N 3.21Å; I804-Y806 PolarHBondContact O-N 3.12Å; Y806-M809 PolarHBondContact O-N 3.26Å; Y806-L810 PolarHBondContact O-N 3.12Å; Y806-Y838 HydrophobicContact CD1-CD1 4.19Å; Y806-Y838 HydrophobicContact CD1-CE1 4.09Å; Y806-Y838 HydrophobicContact CD2-CE1 4.23Å; Y806-Y838 AromaticContact CE1-CD1 3.61Å; Y806-Y838 HydrophobicContact CE1-CD1 3.61Å; Y806-Y838 AromaticContact CE1-CE1 3.74Å; Y806-Y838 HydrophobicContact CE1-CE1 3.74Å; Y806-Y838 AromaticContact CE2-CE1 3.92Å; Y806-Y838 HydrophobicContact CE2-CE1 3.92Å; Y806-Y838 HydrophobicContact CG-CE1 4.32Å; Y806-Y838 AromaticContact CZ-CD1 3.82Å; Y806-Y838 AromaticContact CZ-CE1 3.66Å; Y806-S839 WeakPolarHBondContact OH-CA 3.41Å; Y806-S839 VanDerWaalsContact OH-CB 3.28Å; Y806-S839 WeakPolarHBondContact OH-CB 3.37Å; Y806-S839 PolarHBondContact OH-OG 3.36Å; Y806-F892 HydrophobicContact CD1-CE1 4.1Å; Y806-F892 HydrophobicContact CE1-CD1 4.2Å; Y806-F892 AromaticContact CE1-CE1 3.6Å; Y806-F892 HydrophobicContact CE1-CE1 3.6Å; Y806-F892 HydrophobicContact CE1-CZ 4.41Å
807M92.2Very high91.2Very high4.5 Ų4.529.8 Ų29.82%0.02215%0.154CC..Hα-helixtrans-68.4-41.9175.9-166.265.8-161.400111.9L791 S794 R803 I804 V805 M809 L810 I811 I1037 L1038 M1041 L1091L791-M807 HydrophobicContact CD1-CE 4.26Å; L791-M807 HydrophobicContact CD1-SD 4.15Å; S794-M807 WeakPolarHBondContact OG-CA 3.24Å; S794-M807 PolarHBondContact OG-N 3.26Å; S794-M807 VanDerWaalsContact OG-N 3.14Å; R803-M807 PolarHBondContact O-N 3.15Å; R803-M807 VanDerWaalsContact O-N 3.11Å; I804-M807 CarbonylContact O-C 3.51Å; I804-M807 WeakPolarHBondContact O-CA 3.38Å; I804-M807 WeakPolarHBondContact O-CB 3.36Å; I804-M807 PolarHBondContact O-N 3.11Å; I804-M807 VanDerWaalsContact O-N 3.09Å; V805-M807 VanDerWaalsContact C-N 3.28Å; V805-M807 PolarHBondContact O-N 3.13Å; M807-M809 VanDerWaalsContact C-N 3.32Å; M807-M809 PolarHBondContact O-N 3.21Å; M807-L810 HydrophobicContact CE-CD2 4.26Å; M807-L810 PolarHBondContact O-N 3.12Å; M807-L810 HydrophobicContact SD-CD2 4.07Å; M807-I811 HydrophobicContact CE-CD1 4.02Å; M807-I811 HydrophobicContact CE-CG1 3.99Å; M807-I811 HydrophobicContact CG-CD1 3.91Å; M807-I811 HydrophobicContact CG-CG1 4.48Å; M807-I811 WeakPolarHBondContact O-CB 3.37Å; M807-I811 VanDerWaalsContact O-CG1 3.3Å; M807-I811 WeakPolarHBondContact O-CG1 3.32Å; M807-I811 PolarHBondContact O-N 3.15Å; M807-I1037 HydrophobicContact CE-CD1 4.36Å; M807-I1037 HydrophobicContact CE-CG2 3.95Å; M807-I1037 HydrophobicContact CG-CG2 4.19Å; M807-L1038 HydrophobicContact CB-CD2 4.43Å; M807-L1038 HydrophobicContact CG-CD2 4.36Å; M807-M1041 HydrophobicContact CB-CE 4.28Å; M807-M1041 HydrophobicContact CB-SD 3.78Å; M807-M1041 HydrophobicContact CG-SD 3.71Å; M807-L1091 HydrophobicContact CE-CD1 3.62Å
808V94.9Very high91.7Very high62.75 Ų62.7526.8 Ų26.838%0.3814%0.14SC..Hα-helixtrans-58.9-43.8173.6173.30000110.7I804 V805 I811 Y812 L1038I804-V808 HydrophobicContact CG2-CG2 4.49Å; I804-V808 WeakPolarHBondContact O-CG2 3.35Å; I804-V808 PolarHBondContact O-N 3.25Å; V805-V808 PolarHBondContact O-N 3.13Å; V808-I811 PolarHBondContact O-N 3.17Å; V808-Y812 VanDerWaalsContact O-CB 3.22Å; V808-Y812 WeakPolarHBondContact O-CB 3.4Å; V808-Y812 PolarHBondContact O-N 3.05Å; V808-L1038 HydrophobicContact CG2-CD1 4.08Å; V808-L1038 HydrophobicContact CG2-CD2 3.52Å; V808-L1038 VanDerWaalsContact CG2-CD2 3.5Å; V808-L1038 HydrophobicContact CG2-CG 4.48Å
809M93.1Very high92Very high50.5 Ų50.529.3 Ų29.325%0.24915%0.149CC..Hα-helixtrans-66.1-38.1177.9-67.8-65.9173.600112.5M790 V805 Y806 M807 F813 F831 V834M790-M809 HydrophobicContact SD-CB 4.41Å; V805-M809 HydrophobicContact CG1-CE 4.49Å; V805-M809 HydrophobicContact CG1-CG 4.48Å; V805-M809 WeakPolarHBondContact O-CG 3.3Å; V805-M809 PolarHBondContact O-N 3.09Å; Y806-M809 PolarHBondContact O-N 3.26Å; M807-M809 VanDerWaalsContact C-N 3.32Å; M807-M809 PolarHBondContact O-N 3.21Å; M809-F813 WeakPolarHBondContact O-CB 3.38Å; M809-F813 PolarHBondContact O-N 3.16Å; M809-F831 HydrophobicContact CB-CE2 4.25Å; M809-F831 HydrophobicContact CB-CZ 4.43Å; M809-F831 WeakPolarHBondContact O-CE2 3.35Å; M809-F831 WeakPolarHBondContact O-CZ 3.25Å; M809-V834 HydrophobicContact CE-CG1 4.45Å
810L93.4Very high92.2Very high4.5 Ų4.529.7 Ų29.72%0.02415%0.153CC..Hα-helixtrans-63.9-48.9172.5174.661000111.9C787 M790 L791 Y806 M807 Y812 F813 M814C787-L810 HydrophobicContact CB-CD1 4.37Å; M790-L810 HydrophobicContact CE-CB 3.86Å; M790-L810 HydrophobicContact CE-CD1 3.83Å; M790-L810 HydrophobicContact CE-CG 4.43Å; M790-L810 HydrophobicContact CG-CB 4.17Å; M790-L810 HydrophobicContact SD-CB 4.23Å; L791-L810 HydrophobicContact CB-CD2 3.77Å; L791-L810 HydrophobicContact CD1-CD2 3.85Å; L791-L810 HydrophobicContact CG-CD2 4.37Å; Y806-L810 PolarHBondContact O-N 3.12Å; M807-L810 HydrophobicContact CE-CD2 4.26Å; M807-L810 PolarHBondContact O-N 3.12Å; M807-L810 HydrophobicContact SD-CD2 4.07Å; L810-Y812 VanDerWaalsContact C-N 3.34Å; L810-Y812 PolarHBondContact O-N 3.23Å; L810-F813 PolarHBondContact O-N 3.17Å; L810-M814 HydrophobicContact CD1-CE 3.9Å; L810-M814 HydrophobicContact CD1-CG 4.1Å; L810-M814 VanDerWaalsContact O-CG 3.32Å; L810-M814 WeakPolarHBondContact O-CG 3.39Å; L810-M814 PolarHBondContact O-N 3.38Å; L810-M814 VanDerWaalsContact O-N 3.08Å
811I95Very high92.2Very high14.25 Ų14.2530.3 Ų30.37%0.07315%0.154CC..Hα-helixtrans-57.2-49.1176.8-75.8164.9000110.1M807 V808 F813 M814 L815 F1030 L1038 L1091M807-I811 HydrophobicContact CE-CD1 4.02Å; M807-I811 HydrophobicContact CE-CG1 3.99Å; M807-I811 HydrophobicContact CG-CD1 3.91Å; M807-I811 HydrophobicContact CG-CG1 4.48Å; M807-I811 WeakPolarHBondContact O-CB 3.37Å; M807-I811 VanDerWaalsContact O-CG1 3.3Å; M807-I811 WeakPolarHBondContact O-CG1 3.32Å; M807-I811 PolarHBondContact O-N 3.15Å; V808-I811 PolarHBondContact O-N 3.17Å; I811-F813 PolarHBondContact O-N 3.39Å; I811-M814 PolarHBondContact O-N 3.31Å; I811-L815 VanDerWaalsContact O-CB 3.26Å; I811-L815 WeakPolarHBondContact O-CB 3.41Å; I811-L815 PolarHBondContact O-N 3.15Å; I811-F1030 HydrophobicContact CG2-CE1 4.41Å; I811-L1038 HydrophobicContact CD1-CD1 3.92Å; I811-L1038 HydrophobicContact CD1-CD2 3.95Å; I811-L1038 HydrophobicContact CD1-CG 3.72Å; I811-L1091 HydrophobicContact CG1-CD1 4.32Å
812Y94.4Very high92.2Very high101.25 Ų101.2532.5 Ų32.540%0.39717%0.168SC..Hα-helixtrans-58.2-47.1178.9175.1-102.2000112.6V808 L810 M814 L815 I816 Q827 F831V808-Y812 VanDerWaalsContact O-CB 3.22Å; V808-Y812 WeakPolarHBondContact O-CB 3.4Å; V808-Y812 PolarHBondContact O-N 3.05Å; L810-Y812 VanDerWaalsContact C-N 3.34Å; L810-Y812 PolarHBondContact O-N 3.23Å; Y812-M814 VanDerWaalsContact C-N 3.35Å; Y812-M814 PolarHBondContact O-N 3.18Å; Y812-L815 PolarHBondContact O-N 3.12Å; Y812-I816 HydrophobicContact CD1-CD1 4.12Å; Y812-I816 HydrophobicContact CD2-CD1 4.07Å; Y812-I816 HydrophobicContact CE1-CD1 3.64Å; Y812-I816 VanDerWaalsContact CE1-CD1 3.48Å; Y812-I816 HydrophobicContact CE2-CD1 3.59Å; Y812-I816 HydrophobicContact CE2-CG1 4.45Å; Y812-I816 HydrophobicContact CG-CD1 4.1Å; Y812-I816 WeakPolarHBondContact O-CD1 3.2Å; Y812-I816 VanDerWaalsContact O-CG1 3.32Å; Y812-I816 WeakPolarHBondContact O-CG1 3.37Å; Y812-I816 PolarHBondContact O-N 3.06Å; Y812-I816 VanDerWaalsContact O-N 3.08Å; Y812-Q827 PolarHBondContact OH-NE2 3.07Å; Y812-F831 HydrophobicContact CD1-CD2 4.43Å; Y812-F831 HydrophobicContact CD1-CE2 4.31Å
813F94.1Very high92.4Very high7.5 Ų7.535.5 Ų35.53%0.03318%0.184CC..Hα-helixtrans-60.9-43.2177.8-176.2-105.8000112.8I783 M809 L810 I811 F817 W824 M828 F831 W832I783-F813 HydrophobicContact CD1-CZ 4.29Å; M809-F813 WeakPolarHBondContact O-CB 3.38Å; M809-F813 PolarHBondContact O-N 3.16Å; L810-F813 PolarHBondContact O-N 3.17Å; I811-F813 PolarHBondContact O-N 3.39Å; F813-F817 WeakPolarHBondContact O-CB 3.32Å; F813-F817 PolarHBondContact O-N 3.35Å; F813-F817 VanDerWaalsContact O-N 3.14Å; F813-W824 AromaticContact CD1-NE1 3.89Å; F813-W824 AromaticContact CD2-NE1 3.69Å; F813-W824 AromaticContact CE1-CZ2 3.98Å; F813-W824 HydrophobicContact CE1-CZ2 3.99Å; F813-W824 AromaticContact CE1-NE1 3.47Å; F813-W824 AromaticContact CE2-CD1 3.98Å; F813-W824 AromaticContact CE2-CE2 3.98Å; F813-W824 HydrophobicContact CE2-CZ2 4.42Å; F813-W824 AromaticContact CE2-NE1 3.26Å; F813-W824 VanDerWaalsContact CE2-NE1 3.27Å; F813-W824 AromaticContact CG-NE1 3.98Å; F813-W824 AromaticContact CZ-CE2 3.6Å; F813-W824 AromaticContact CZ-CZ2 3.63Å; F813-W824 HydrophobicContact CZ-CZ2 3.63Å; F813-W824 AromaticContact CZ-NE1 3.15Å; F813-M828 HydrophobicContact CZ-CE 4.28Å; F813-F831 HydrophobicContact CB-CE1 3.87Å; F813-F831 HydrophobicContact CB-CE2 3.87Å; F813-F831 HydrophobicContact CB-CZ 3.47Å; F813-F831 VanDerWaalsContact CB-CZ 3.47Å; F813-F831 HydrophobicContact CD1-CE1 4.41Å; F813-F831 HydrophobicContact CD2-CB 4.49Å; F813-F831 AromaticContact CD2-CD1 3.29Å; F813-F831 HydrophobicContact CD2-CD1 3.29Å; F813-F831 HydrophobicContact CD2-CD2 4.17Å; F813-F831 AromaticContact CD2-CE1 3.29Å; F813-F831 HydrophobicContact CD2-CE1 3.29Å; F813-F831 HydrophobicContact CD2-CE2 4.19Å; F813-F831 AromaticContact CD2-CG 3.75Å; F813-F831 HydrophobicContact CD2-CG 3.75Å; F813-F831 AromaticContact CD2-CZ 3.77Å; F813-F831 HydrophobicContact CD2-CZ 3.77Å; F813-F831 AromaticContact CE2-CD1 3.57Å; F813-F831 HydrophobicContact CE2-CD1 3.57Å; F813-F831 AromaticContact CE2-CE1 3.83Å; F813-F831 HydrophobicContact CE2-CE1 3.83Å; F813-F831 HydrophobicContact CE2-CG 4.23Å; F813-F831 HydrophobicContact CG-CD1 4.12Å; F813-F831 AromaticContact CG-CE1 3.62Å; F813-F831 HydrophobicContact CG-CE1 3.62Å; F813-F831 HydrophobicContact CG-CE2 4.41Å; F813-F831 AromaticContact CG-CZ 3.8Å; F813-F831 HydrophobicContact CG-CZ 3.8Å; F813-W832 HydrophobicContact CE1-CZ2 4.45Å; F813-W832 HydrophobicContact CE2-CZ2 4.27Å; F813-W832 HydrophobicContact CZ-CH2 4.32Å; F813-W832 AromaticContact CZ-CZ2 3.87Å; F813-W832 HydrophobicContact CZ-CZ2 3.87Å
814M93.6Very high92.5Very high24.25 Ų24.2535.9 Ų35.912%0.11919%0.186CC..Hα-helixtrans-73.8-34.2178.6-66.3-56.8-174.600112.3C787 L810 I811 Y812 F817 Q818 F1030 V1095C787-M814 HydrophobicContact CB-CE 3.64Å; C787-M814 VanDerWaalsContact SG-CE 3.51Å; C787-M814 WeakPolarHBondContact SG-CE 3.29Å; L810-M814 HydrophobicContact CD1-CE 3.9Å; L810-M814 HydrophobicContact CD1-CG 4.1Å; L810-M814 VanDerWaalsContact O-CG 3.32Å; L810-M814 WeakPolarHBondContact O-CG 3.39Å; L810-M814 PolarHBondContact O-N 3.38Å; L810-M814 VanDerWaalsContact O-N 3.08Å; I811-M814 PolarHBondContact O-N 3.31Å; Y812-M814 VanDerWaalsContact C-N 3.35Å; Y812-M814 PolarHBondContact O-N 3.18Å; M814-F817 WeakPolarHBondContact O-CB 3.29Å; M814-F817 PolarHBondContact O-N 3.11Å; M814-Q818 WeakPolarHBondContact O-CG 3.2Å; M814-Q818 PolarHBondContact O-N 3.23Å; M814-F1030 HydrophobicContact CB-CE2 3.78Å; M814-F1030 HydrophobicContact CB-CZ 3.55Å; M814-V1095 HydrophobicContact CB-CG2 3.85Å; M814-V1095 HydrophobicContact CE-CG1 4.49Å; M814-V1095 HydrophobicContact CG-CG2 4.06Å; M814-V1095 HydrophobicContact SD-CG1 3.75Å; M814-V1095 HydrophobicContact SD-CG2 4.03Å
815L93.8Very high92.4Very high43.25 Ų43.2539.7 Ų39.723%0.22620%0.199CC..Hα-helixtrans-62.7-47.4175.2-175.658.5000111.2I811 Y812 F817 Q818 I819 F1030 I1031I811-L815 VanDerWaalsContact O-CB 3.26Å; I811-L815 WeakPolarHBondContact O-CB 3.41Å; I811-L815 PolarHBondContact O-N 3.15Å; Y812-L815 PolarHBondContact O-N 3.12Å; L815-F817 VanDerWaalsContact C-N 3.29Å; L815-F817 PolarHBondContact O-N 3.25Å; L815-Q818 PolarHBondContact O-N 3.17Å; L815-Q818 VanDerWaalsContact O-N 3.14Å; L815-I819 HydrophobicContact CD1-CD1 3.79Å; L815-I819 HydrophobicContact CD1-CG1 4.24Å; L815-I819 HydrophobicContact CD2-CD1 4.5Å; L815-I819 HydrophobicContact CG-CD1 3.8Å; L815-I819 WeakPolarHBondContact O-CB 3.3Å; L815-I819 WeakPolarHBondContact O-CG1 3.34Å; L815-I819 PolarHBondContact O-N 3.09Å; L815-F1030 HydrophobicContact CB-CE1 3.83Å; L815-F1030 HydrophobicContact CD1-CD1 3.96Å; L815-F1030 HydrophobicContact CD1-CE1 4.04Å; L815-F1030 HydrophobicContact CG-CE1 4.47Å; L815-I1031 HydrophobicContact CD1-CD1 4.01Å; L815-I1031 HydrophobicContact CD1-CG1 3.55Å
816I93.6Very high92.3Very high26 Ų2647.7 Ų47.713%0.13322%0.224CC..Hα-helixtrans-66.2-34.6178.1-64.3173.1000110.9Y812 I819 S820 I823 W824 Q827Y812-I816 HydrophobicContact CD1-CD1 4.12Å; Y812-I816 HydrophobicContact CD2-CD1 4.07Å; Y812-I816 HydrophobicContact CE1-CD1 3.64Å; Y812-I816 VanDerWaalsContact CE1-CD1 3.48Å; Y812-I816 HydrophobicContact CE2-CD1 3.59Å; Y812-I816 HydrophobicContact CE2-CG1 4.45Å; Y812-I816 HydrophobicContact CG-CD1 4.1Å; Y812-I816 WeakPolarHBondContact O-CD1 3.2Å; Y812-I816 VanDerWaalsContact O-CG1 3.32Å; Y812-I816 WeakPolarHBondContact O-CG1 3.37Å; Y812-I816 PolarHBondContact O-N 3.06Å; Y812-I816 VanDerWaalsContact O-N 3.08Å; I816-I819 PolarHBondContact O-N 3.25Å; I816-S820 CarbonylContact O-C 3.54Å; I816-S820 VanDerWaalsContact O-C 3.3Å; I816-S820 PolarHBondContact O-N 3.12Å; I816-I823 HydrophobicContact CG2-CB 4.24Å; I816-I823 HydrophobicContact CG2-CG2 3.84Å; I816-W824 HydrophobicContact CG2-CB 4.03Å; I816-Q827 VanDerWaalsContact CD1-OE1 3.32Å
817F92.8Very high92.3Very high18.5 Ų18.550.1 Ų50.18%0.08124%0.236CC..Hα-helixtrans-59.6-45.3171.3174-100.6000112.4F813 M814 L815 Y821 W824 V1095 H1098 A1099 Y1102F813-F817 WeakPolarHBondContact O-CB 3.32Å; F813-F817 PolarHBondContact O-N 3.35Å; F813-F817 VanDerWaalsContact O-N 3.14Å; M814-F817 WeakPolarHBondContact O-CB 3.29Å; M814-F817 PolarHBondContact O-N 3.11Å; L815-F817 VanDerWaalsContact C-N 3.29Å; L815-F817 PolarHBondContact O-N 3.25Å; F817-Y821 HydrophobicContact CD2-CD2 4.21Å; F817-Y821 HydrophobicContact CD2-CE2 4.46Å; F817-Y821 AromaticContact CE2-CD2 3.91Å; F817-Y821 HydrophobicContact CE2-CD2 3.91Å; F817-Y821 AromaticContact CE2-CE2 3.91Å; F817-Y821 HydrophobicContact CE2-CE2 3.98Å; F817-W824 HydrophobicContact CB-CD2 4.38Å; F817-W824 HydrophobicContact CB-CG 4.03Å; F817-W824 AromaticContact CD2-CD2 3.8Å; F817-W824 HydrophobicContact CD2-CD2 3.8Å; F817-W824 AromaticContact CD2-CE2 3.8Å; F817-W824 AromaticContact CD2-CE3 3.99Å; F817-W824 HydrophobicContact CD2-CE3 4.04Å; F817-W824 HydrophobicContact CD2-CG 4.24Å; F817-W824 HydrophobicContact CD2-CH2 4.25Å; F817-W824 AromaticContact CD2-CZ2 3.95Å; F817-W824 HydrophobicContact CD2-CZ2 4.03Å; F817-W824 HydrophobicContact CD2-CZ3 4.27Å; F817-W824 HydrophobicContact CE2-CH2 4.37Å; F817-W824 HydrophobicContact CE2-CZ2 4.47Å; F817-W824 HydrophobicContact CE2-CZ3 4.4Å; F817-V1095 HydrophobicContact CD1-CG1 4.15Å; F817-V1095 HydrophobicContact CE1-CG1 4.08Å; F817-H1098 HydrophobicContact CD1-CB 4.46Å; F817-H1098 HydrophobicContact CE1-CB 3.95Å; F817-A1099 HydrophobicContact CE1-CB 4.22Å; F817-A1099 HydrophobicContact CZ-CB 3.9Å; F817-Y1102 HydrophobicContact CE1-CD2 4.39Å; F817-Y1102 HydrophobicContact CE1-CE2 4.49Å; F817-Y1102 HydrophobicContact CE2-CD2 4.17Å; F817-Y1102 HydrophobicContact CE2-CE2 4.45Å; F817-Y1102 AromaticContact CZ-CD2 3.91Å; F817-Y1102 HydrophobicContact CZ-CD2 3.91Å; F817-Y1102 HydrophobicContact CZ-CE2 4.39Å; F817-Y1102 VanDerWaalsContact O-CE2 3.28Å; F817-Y1102 WeakPolarHBondContact O-CE2 3.35Å; F817-Y1102 PolarHBondContact O-OH 3.15Å
818Q92.2Very high92.2Very high4.5 Ų4.549.9 Ų49.92%0.02124%0.235CC..Hα-helixtrans-70.1-39.8178.4-66.8-168.111.700113M814 L815 T1027 F1030 H1098 Y1102M814-Q818 WeakPolarHBondContact O-CG 3.2Å; M814-Q818 PolarHBondContact O-N 3.23Å; L815-Q818 PolarHBondContact O-N 3.17Å; L815-Q818 VanDerWaalsContact O-N 3.14Å; Q818-T1027 HydrophobicContact CB-CG2 4.42Å; Q818-F1030 VanDerWaalsContact NE2-CG 3.33Å; Q818-F1030 VanDerWaalsContact OE1-CB 3.3Å; Q818-H1098 VanDerWaalsContact CD-CD2 3.44Å; Q818-H1098 HydrophobicContact CG-CB 4.25Å; Q818-H1098 VanDerWaalsContact CG-CD2 3.42Å; Q818-H1098 WeakPolarHBondContact CG-CD2 3.38Å; Q818-H1098 PolarHBondContact O-CE1 3.06Å; Q818-H1098 VanDerWaalsContact O-CE1 3.28Å; Q818-H1098 PolarHBondContact O-ND1 3.05Å; Q818-H1098 PolarHBondContact OE1-CD2 3.47Å; Q818-H1098 PolarHBondContact OE1-NE2 3.16Å; Q818-Y1102 PolarHBondContact O-OH 3.19Å
819I90.8Very high92Very high109 Ų10950.6 Ų50.656%0.55924%0.236SC*.Hα-helixtrans-74.3-46.9-179.2-66.4173.3000111.7L815 I816 T1027L815-I819 HydrophobicContact CD1-CD1 3.79Å; L815-I819 HydrophobicContact CD1-CG1 4.24Å; L815-I819 HydrophobicContact CD2-CD1 4.5Å; L815-I819 HydrophobicContact CG-CD1 3.8Å; L815-I819 WeakPolarHBondContact O-CB 3.3Å; L815-I819 WeakPolarHBondContact O-CG1 3.34Å; L815-I819 PolarHBondContact O-N 3.09Å; I816-I819 PolarHBondContact O-N 3.25Å; I819-T1027 HydrophobicContact CG1-CG2 4.26Å
820S90.2Very high92Very high25 Ų2552 Ų5218%0.17525%0.25CC..  trans-157.198.8-173.3-174.80000113.9I816 T822 I823 W824I816-S820 CarbonylContact O-C 3.54Å; I816-S820 VanDerWaalsContact O-C 3.3Å; I816-S820 PolarHBondContact O-N 3.12Å; S820-T822 PolarHBondContact O-N 3.19Å; S820-T822 VanDerWaalsContact O-N 3.14Å; S820-T822 PolarHBondContact OG-OG1 2.96Å; S820-T822 VanDerWaalsContact OG-OG1 3.11Å; S820-I823 PolarHBondContact O-N 3.06Å; S820-I823 VanDerWaalsContact O-N 3.15Å; S820-I823 WeakPolarHBondContact OG-CG1 3.24Å; S820-W824 WeakPolarHBondContact O-CB 3.28Å; S820-W824 PolarHBondContact O-N 3.11Å
821Y88.5Confident92Very high19.25 Ų19.2552.1 Ų52.18%0.07525%0.25CC..Hα-helixtrans-51.9-33.2173.5-168.5-98.6000114.6F817 W824 R825 S911 L913 Y1102 Q1106F817-Y821 HydrophobicContact CD2-CD2 4.21Å; F817-Y821 HydrophobicContact CD2-CE2 4.46Å; F817-Y821 AromaticContact CE2-CD2 3.91Å; F817-Y821 HydrophobicContact CE2-CD2 3.91Å; F817-Y821 AromaticContact CE2-CE2 3.91Å; F817-Y821 HydrophobicContact CE2-CE2 3.98Å; Y821-W824 HydrophobicContact CD2-CE3 4.19Å; Y821-W824 HydrophobicContact CD2-CZ3 4.4Å; Y821-W824 AromaticContact CE2-CE3 3.99Å; Y821-W824 HydrophobicContact CE2-CE3 4.06Å; Y821-W824 AromaticContact CE2-CZ3 3.88Å; Y821-W824 HydrophobicContact CE2-CZ3 3.88Å; Y821-R825 VanDerWaalsContact O-CB 3.3Å; Y821-R825 WeakPolarHBondContact O-CB 3.32Å; Y821-R825 PolarHBondContact O-N 3.4Å; Y821-S911 WeakPolarHBondContact OH-CB 3.18Å; Y821-S911 PolarHBondContact OH-O 3.24Å; Y821-L913 HydrophobicContact CD1-CD1 4.25Å; Y821-L913 HydrophobicContact CD1-CD2 4.16Å; Y821-L913 HydrophobicContact CD1-CG 4.09Å; Y821-L913 HydrophobicContact CE1-CD1 4.44Å; Y821-L913 HydrophobicContact CE1-CD2 4.28Å; Y821-L913 HydrophobicContact CE1-CG 4.09Å; Y821-Y1102 HydrophobicContact CD2-CD1 4.32Å; Y821-Y1102 AromaticContact CD2-CD2 3.95Å; Y821-Y1102 HydrophobicContact CD2-CD2 3.95Å; Y821-Y1102 HydrophobicContact CD2-CE1 4.49Å; Y821-Y1102 HydrophobicContact CD2-CE2 4.27Å; Y821-Y1102 AromaticContact CD2-CG 3.97Å; Y821-Y1102 HydrophobicContact CD2-CG 4.02Å; Y821-Y1102 HydrophobicContact CE2-CG 4.49Å; Y821-Y1102 HydrophobicContact CG-CD1 4.3Å; Y821-Y1102 HydrophobicContact CG-CE1 4.36Å; Y821-Y1102 HydrophobicContact CG-CG 4.4Å; Y821-Q1106 PolarHBondContact OH-NE2 3.08Å; Y821-Q1106 VanDerWaalsContact OH-NE2 3.13Å
822T88.6Confident91.9Very high85.75 Ų85.7551.4 Ų51.453%0.52625%0.246SC..Hα-helixtrans-72.8-40.7179.9530000112S820 R826 L913S820-T822 PolarHBondContact O-N 3.19Å; S820-T822 VanDerWaalsContact O-N 3.14Å; S820-T822 PolarHBondContact OG-OG1 2.96Å; S820-T822 VanDerWaalsContact OG-OG1 3.11Å; T822-R826 WeakPolarHBondContact O-CB 3.31Å; T822-R826 PolarHBondContact O-N 3.31Å; T822-R826 VanDerWaalsContact O-N 3.15Å; T822-L913 HydrophobicContact CG2-CD1 3.96Å
823I91.1Very high91.7Very high78.75 Ų78.7551.6 Ų51.640%0.40425%0.246SC..Hα-helixtrans-67-47174.3-63.4174.5000109.6I816 S820 R825 R826 Q827I816-I823 HydrophobicContact CG2-CB 4.24Å; I816-I823 HydrophobicContact CG2-CG2 3.84Å; S820-I823 PolarHBondContact O-N 3.06Å; S820-I823 VanDerWaalsContact O-N 3.15Å; S820-I823 WeakPolarHBondContact OG-CG1 3.24Å; I823-R825 PolarHBondContact O-N 3.1Å; I823-R826 WeakPolarHBondContact O-CB 3.47Å; I823-R826 PolarHBondContact O-N 3.12Å; I823-R826 VanDerWaalsContact O-N 3.12Å; I823-Q827 WeakPolarHBondContact O-CB 3.31Å; I823-Q827 PolarHBondContact O-N 3.1Å
824W92.8Very high91.7Very high15.25 Ų15.2554.4 Ų54.46%0.05826%0.264CS..Hα-helixtrans-53.2-50.6176.3-179.480000112.3I783 F813 I816 F817 S820 Y821 R826 Q827 M828 F907I783-W824 HydrophobicContact CD1-CH2 3.78Å; I783-W824 HydrophobicContact CD1-CZ2 3.71Å; F813-W824 AromaticContact CD1-NE1 3.89Å; F813-W824 AromaticContact CD2-NE1 3.69Å; F813-W824 AromaticContact CE1-CZ2 3.98Å; F813-W824 HydrophobicContact CE1-CZ2 3.99Å; F813-W824 AromaticContact CE1-NE1 3.47Å; F813-W824 AromaticContact CE2-CD1 3.98Å; F813-W824 AromaticContact CE2-CE2 3.98Å; F813-W824 HydrophobicContact CE2-CZ2 4.42Å; F813-W824 AromaticContact CE2-NE1 3.26Å; F813-W824 VanDerWaalsContact CE2-NE1 3.27Å; F813-W824 AromaticContact CG-NE1 3.98Å; F813-W824 AromaticContact CZ-CE2 3.6Å; F813-W824 AromaticContact CZ-CZ2 3.63Å; F813-W824 HydrophobicContact CZ-CZ2 3.63Å; F813-W824 AromaticContact CZ-NE1 3.15Å; I816-W824 HydrophobicContact CG2-CB 4.03Å; F817-W824 HydrophobicContact CB-CD2 4.38Å; F817-W824 HydrophobicContact CB-CG 4.03Å; F817-W824 AromaticContact CD2-CD2 3.8Å; F817-W824 HydrophobicContact CD2-CD2 3.8Å; F817-W824 AromaticContact CD2-CE2 3.8Å; F817-W824 AromaticContact CD2-CE3 3.99Å; F817-W824 HydrophobicContact CD2-CE3 4.04Å; F817-W824 HydrophobicContact CD2-CG 4.24Å; F817-W824 HydrophobicContact CD2-CH2 4.25Å; F817-W824 AromaticContact CD2-CZ2 3.95Å; F817-W824 HydrophobicContact CD2-CZ2 4.03Å; F817-W824 HydrophobicContact CD2-CZ3 4.27Å; F817-W824 HydrophobicContact CE2-CH2 4.37Å; F817-W824 HydrophobicContact CE2-CZ2 4.47Å; F817-W824 HydrophobicContact CE2-CZ3 4.4Å; S820-W824 WeakPolarHBondContact O-CB 3.28Å; S820-W824 PolarHBondContact O-N 3.11Å; Y821-W824 HydrophobicContact CD2-CE3 4.19Å; Y821-W824 HydrophobicContact CD2-CZ3 4.4Å; Y821-W824 AromaticContact CE2-CE3 3.99Å; Y821-W824 HydrophobicContact CE2-CE3 4.06Å; Y821-W824 AromaticContact CE2-CZ3 3.88Å; Y821-W824 HydrophobicContact CE2-CZ3 3.88Å; W824-R826 VanDerWaalsContact C-N 3.31Å; W824-R826 PolarHBondContact O-N 3.26Å; W824-Q827 PolarHBondContact O-N 3.4Å; W824-M828 HydrophobicContact CD2-CE 4.13Å; W824-M828 HydrophobicContact CE3-CE 4.05Å; W824-M828 HydrophobicContact CH2-CE 3.31Å; W824-M828 HydrophobicContact CZ2-CE 3.37Å; W824-M828 HydrophobicContact CZ3-CE 3.66Å; W824-M828 PolarHBondContact O-N 3Å; W824-F907 AromaticContact CH2-CE1 3.91Å; W824-F907 HydrophobicContact CH2-CE1 3.95Å; W824-F907 AromaticContact CH2-CZ 3.96Å; W824-F907 HydrophobicContact CH2-CZ 4.02Å; W824-F907 HydrophobicContact CZ3-CE1 4.28Å; W824-F907 HydrophobicContact CZ3-CZ 4.47Å
825R91.3Very high91.6Very high94.75 Ų94.7553.3 Ų53.336%0.35826%0.259SS..Hα-helixtrans-62-35.7178.5-173.9176.1176.8-108.6-0.2112.7Y821 I823 L908Y821-R825 VanDerWaalsContact O-CB 3.3Å; Y821-R825 WeakPolarHBondContact O-CB 3.32Å; Y821-R825 PolarHBondContact O-N 3.4Å; I823-R825 PolarHBondContact O-N 3.1Å; R825-L908 HydrophobicContact CG-CD2 3.69Å; R825-L908 PolarHBondContact NE-O 3.32Å; R825-L908 PolarHBondContact NH2-O 3.1Å
826R90.9Very high91.5Very high210.25 Ų210.2551.6 Ų51.679%0.79325%0.25SS*.Hα-helixtrans-71.9-39.5176.2-175.1177.889.3179.11.3112.2T822 I823 W824T822-R826 WeakPolarHBondContact O-CB 3.31Å; T822-R826 PolarHBondContact O-N 3.31Å; T822-R826 VanDerWaalsContact O-N 3.15Å; I823-R826 WeakPolarHBondContact O-CB 3.47Å; I823-R826 PolarHBondContact O-N 3.12Å; I823-R826 VanDerWaalsContact O-N 3.12Å; W824-R826 VanDerWaalsContact C-N 3.31Å; W824-R826 PolarHBondContact O-N 3.26Å
827Q90.7Very high91.4Very high51.75 Ų51.7554.8 Ų54.824%0.24227%0.27CS..Hα-helixtrans-81.2-25-174.4-173.8171.94.300113.8Y812 I816 I823 W824 L829 C830 F831Y812-Q827 PolarHBondContact OH-NE2 3.07Å; I816-Q827 VanDerWaalsContact CD1-OE1 3.32Å; I823-Q827 WeakPolarHBondContact O-CB 3.31Å; I823-Q827 PolarHBondContact O-N 3.1Å; W824-Q827 PolarHBondContact O-N 3.4Å; Q827-L829 VanDerWaalsContact C-N 3.27Å; Q827-L829 PolarHBondContact O-N 3.28Å; Q827-C830 WeakPolarHBondContact O-CA 3.41Å; Q827-C830 WeakPolarHBondContact O-CB 3.43Å; Q827-C830 PolarHBondContact O-N 3.2Å; Q827-F831 PolarHBondContact O-N 3.07Å
828M90.2Very high91.3Very high0.75 Ų0.7556.2 Ų56.20%0.00428%0.276CS..Hα-helixtrans-45.5-43.3-170.4-177.7-180-84.100115I783 F813 W824 F831 W832 Q899 F907 L908I783-M828 HydrophobicContact CD1-CE 3.56Å; I783-M828 HydrophobicContact CD1-SD 4.06Å; I783-M828 HydrophobicContact CG1-CE 4.2Å; F813-M828 HydrophobicContact CZ-CE 4.28Å; W824-M828 HydrophobicContact CD2-CE 4.13Å; W824-M828 HydrophobicContact CE3-CE 4.05Å; W824-M828 HydrophobicContact CH2-CE 3.31Å; W824-M828 HydrophobicContact CZ2-CE 3.37Å; W824-M828 HydrophobicContact CZ3-CE 3.66Å; W824-M828 PolarHBondContact O-N 3Å; M828-F831 PolarHBondContact O-N 3.2Å; M828-W832 HydrophobicContact CE-CZ2 4.4Å; M828-W832 VanDerWaalsContact CE-NE1 3.34Å; M828-W832 PolarHBondContact O-N 2.95Å; M828-W832 VanDerWaalsContact O-N 3.12Å; M828-Q899 VanDerWaalsContact CE-NE2 3.28Å; M828-F907 HydrophobicContact CE-CD1 4.12Å; M828-F907 HydrophobicContact CE-CE1 3.77Å; M828-F907 HydrophobicContact SD-CD1 4.01Å; M828-F907 HydrophobicContact SD-CE1 4.09Å; M828-L908 HydrophobicContact SD-CD2 4.21Å
829L90.4Very high91.2Very high78.25 Ų78.2556 Ų5641%0.4128%0.275SS..Hα-helixtrans-63.7-46.2179-17856000112.1Q827 F831 W832 W833 V900Q827-L829 VanDerWaalsContact C-N 3.27Å; Q827-L829 PolarHBondContact O-N 3.28Å; L829-F831 VanDerWaalsContact C-N 3.34Å; L829-F831 PolarHBondContact O-N 2.9Å; L829-W832 PolarHBondContact O-N 3.01Å; L829-W833 VanDerWaalsContact O-CD1 3.28Å; L829-W833 PolarHBondContact O-N 3.22Å; L829-V900 HydrophobicContact CD1-CG1 4.46Å
830C92.9Very high91Very high78.25 Ų78.2552.5 Ų52.553%0.52926%0.257SS..Hα-helixtrans-62.8-42.6177.7-176.40000111Q827 W832 W833 V834Q827-C830 WeakPolarHBondContact O-CA 3.41Å; Q827-C830 WeakPolarHBondContact O-CB 3.43Å; Q827-C830 PolarHBondContact O-N 3.2Å; C830-W832 PolarHBondContact O-N 3.09Å; C830-W833 PolarHBondContact O-N 3.42Å; C830-V834 WeakPolarHBondContact O-CG2 3.39Å; C830-V834 PolarHBondContact O-N 3Å
831F93.5Very high90.9Very high7 Ų753.5 Ų53.53%0.03127%0.266CS..Hα-helixtrans-57.7-46.5178.1177.9-102.2000113M790 M809 Y812 F813 Q827 M828 L829 W833 V834 I835M790-F831 HydrophobicContact CE-CE1 4.3Å; M790-F831 HydrophobicContact CE-CZ 4.07Å; M809-F831 HydrophobicContact CB-CE2 4.25Å; M809-F831 HydrophobicContact CB-CZ 4.43Å; M809-F831 WeakPolarHBondContact O-CE2 3.35Å; M809-F831 WeakPolarHBondContact O-CZ 3.25Å; Y812-F831 HydrophobicContact CD1-CD2 4.43Å; Y812-F831 HydrophobicContact CD1-CE2 4.31Å; F813-F831 HydrophobicContact CB-CE1 3.87Å; F813-F831 HydrophobicContact CB-CE2 3.87Å; F813-F831 HydrophobicContact CB-CZ 3.47Å; F813-F831 VanDerWaalsContact CB-CZ 3.47Å; F813-F831 HydrophobicContact CD1-CE1 4.41Å; F813-F831 HydrophobicContact CD2-CB 4.49Å; F813-F831 AromaticContact CD2-CD1 3.29Å; F813-F831 HydrophobicContact CD2-CD1 3.29Å; F813-F831 HydrophobicContact CD2-CD2 4.17Å; F813-F831 AromaticContact CD2-CE1 3.29Å; F813-F831 HydrophobicContact CD2-CE1 3.29Å; F813-F831 HydrophobicContact CD2-CE2 4.19Å; F813-F831 AromaticContact CD2-CG 3.75Å; F813-F831 HydrophobicContact CD2-CG 3.75Å; F813-F831 AromaticContact CD2-CZ 3.77Å; F813-F831 HydrophobicContact CD2-CZ 3.77Å; F813-F831 AromaticContact CE2-CD1 3.57Å; F813-F831 HydrophobicContact CE2-CD1 3.57Å; F813-F831 AromaticContact CE2-CE1 3.83Å; F813-F831 HydrophobicContact CE2-CE1 3.83Å; F813-F831 HydrophobicContact CE2-CG 4.23Å; F813-F831 HydrophobicContact CG-CD1 4.12Å; F813-F831 AromaticContact CG-CE1 3.62Å; F813-F831 HydrophobicContact CG-CE1 3.62Å; F813-F831 HydrophobicContact CG-CE2 4.41Å; F813-F831 AromaticContact CG-CZ 3.8Å; F813-F831 HydrophobicContact CG-CZ 3.8Å; Q827-F831 PolarHBondContact O-N 3.07Å; M828-F831 PolarHBondContact O-N 3.2Å; L829-F831 VanDerWaalsContact C-N 3.34Å; L829-F831 PolarHBondContact O-N 2.9Å; F831-W833 VanDerWaalsContact C-N 3.35Å; F831-W833 PolarHBondContact O-N 3.21Å; F831-V834 PolarHBondContact O-N 3.38Å; F831-I835 HydrophobicContact CD1-CD1 4.06Å; F831-I835 HydrophobicContact CE1-CD1 3.35Å; F831-I835 HydrophobicContact CE1-CG1 4.42Å; F831-I835 HydrophobicContact CE2-CD1 4.09Å; F831-I835 HydrophobicContact CZ-CD1 3.36Å; F831-I835 HydrophobicContact CZ-CG1 4.27Å; F831-I835 PolarHBondContact O-N 3.33Å
832W92.4Very high90.9Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-66.3-36.6177.2-62.2124000112.7I783 C786 F813 M828 L829 C830 I835 V836 I896 Q899 V900I783-W832 HydrophobicContact CG1-CZ2 4.2Å; C786-W832 HydrophobicContact CB-CH2 3.62Å; C786-W832 HydrophobicContact CB-CZ2 4.31Å; C786-W832 HydrophobicContact CB-CZ3 3.99Å; F813-W832 HydrophobicContact CE1-CZ2 4.45Å; F813-W832 HydrophobicContact CE2-CZ2 4.27Å; F813-W832 HydrophobicContact CZ-CH2 4.32Å; F813-W832 AromaticContact CZ-CZ2 3.87Å; F813-W832 HydrophobicContact CZ-CZ2 3.87Å; M828-W832 HydrophobicContact CE-CZ2 4.4Å; M828-W832 VanDerWaalsContact CE-NE1 3.34Å; M828-W832 PolarHBondContact O-N 2.95Å; M828-W832 VanDerWaalsContact O-N 3.12Å; L829-W832 PolarHBondContact O-N 3.01Å; C830-W832 PolarHBondContact O-N 3.09Å; W832-I835 HydrophobicContact CE3-CD1 4.02Å; W832-I835 HydrophobicContact CZ3-CD1 3.98Å; W832-I835 PolarHBondContact O-N 3.12Å; W832-V836 WeakPolarHBondContact O-CG2 3.39Å; W832-V836 PolarHBondContact O-N 3.06Å; W832-I896 HydrophobicContact CB-CG2 4.18Å; W832-I896 HydrophobicContact CD2-CG2 4.35Å; W832-I896 HydrophobicContact CE3-CD1 3.86Å; W832-I896 HydrophobicContact CE3-CG1 4.34Å; W832-I896 HydrophobicContact CE3-CG2 3.78Å; W832-I896 HydrophobicContact CG-CG2 4.5Å; W832-I896 HydrophobicContact CH2-CD1 4.34Å; W832-I896 HydrophobicContact CZ3-CD1 3.6Å; W832-I896 HydrophobicContact CZ3-CG1 4.4Å; W832-Q899 HydrophobicContact CD2-CG 4.47Å; W832-V900 HydrophobicContact CB-CG2 3.46Å; W832-V900 VanDerWaalsContact CB-CG2 3.44Å; W832-V900 HydrophobicContact CG-CG2 4.13Å
833W92Very high90.8Very high105 Ų10550.2 Ų50.240%0.39825%0.246SC..Hα-helixtrans-64.5-40.9173.7-82.8112.4000112.8I592 L829 C830 F831 I835 V836 V837 V900I592-W833 HydrophobicContact CG1-CZ3 4.35Å; I592-W833 HydrophobicContact CG2-CH2 3.96Å; I592-W833 HydrophobicContact CG2-CZ3 3.96Å; L829-W833 VanDerWaalsContact O-CD1 3.28Å; L829-W833 PolarHBondContact O-N 3.22Å; C830-W833 PolarHBondContact O-N 3.42Å; F831-W833 VanDerWaalsContact C-N 3.35Å; F831-W833 PolarHBondContact O-N 3.21Å; W833-I835 VanDerWaalsContact C-N 3.32Å; W833-I835 PolarHBondContact O-N 3.17Å; W833-V836 HydrophobicContact CE3-CB 4.46Å; W833-V836 HydrophobicContact CE3-CG1 4.45Å; W833-V836 HydrophobicContact CZ3-CG1 4.4Å; W833-V836 PolarHBondContact O-N 3.22Å; W833-V837 WeakPolarHBondContact O-CG2 3.39Å; W833-V837 PolarHBondContact O-N 3.04Å; W833-V900 HydrophobicContact CZ2-CG1 4.02Å
834V92.9Very high90.6Very high66.75 Ų66.7549.2 Ų49.241%0.40524%0.241SC..Hα-helixtrans-59.7-43.1173.2170.20000110.8M809 C830 F831 V837 Y838M809-V834 HydrophobicContact CE-CG1 4.45Å; C830-V834 WeakPolarHBondContact O-CG2 3.39Å; C830-V834 PolarHBondContact O-N 3Å; F831-V834 PolarHBondContact O-N 3.38Å; V834-V837 PolarHBondContact O-N 3.14Å; V834-Y838 VanDerWaalsContact O-CB 3.25Å; V834-Y838 WeakPolarHBondContact O-CB 3.33Å; V834-Y838 PolarHBondContact O-N 2.93Å
835I92.2Very high90.3Very high2.25 Ų2.2550.5 Ų50.51%0.01225%0.252CS..Hα-helixtrans-63.3-43.2175.2-75.6178.1000112.2M790 F831 W832 W833 Y838 S839 F892 I896M790-I835 HydrophobicContact CE-CD1 4.1Å; M790-I835 HydrophobicContact SD-CD1 3.57Å; M790-I835 VanDerWaalsContact SD-CD1 3.57Å; F831-I835 HydrophobicContact CD1-CD1 4.06Å; F831-I835 HydrophobicContact CE1-CD1 3.35Å; F831-I835 HydrophobicContact CE1-CG1 4.42Å; F831-I835 HydrophobicContact CE2-CD1 4.09Å; F831-I835 HydrophobicContact CZ-CD1 3.36Å; F831-I835 HydrophobicContact CZ-CG1 4.27Å; F831-I835 PolarHBondContact O-N 3.33Å; W832-I835 HydrophobicContact CE3-CD1 4.02Å; W832-I835 HydrophobicContact CZ3-CD1 3.98Å; W832-I835 PolarHBondContact O-N 3.12Å; W833-I835 VanDerWaalsContact C-N 3.32Å; W833-I835 PolarHBondContact O-N 3.17Å; I835-Y838 PolarHBondContact O-N 3.1Å; I835-S839 VanDerWaalsContact O-CB 3.29Å; I835-S839 WeakPolarHBondContact O-CB 3.39Å; I835-S839 PolarHBondContact O-N 3.16Å; I835-S839 PolarHBondContact O-OG 3Å; I835-F892 HydrophobicContact CG2-CE1 3.59Å; I835-F892 HydrophobicContact CG2-CZ 3.74Å; I835-I896 HydrophobicContact CG2-CG1 4.09Å; I835-I896 HydrophobicContact CG2-CG2 4.24Å
836V91Very high90.1Very high7 Ų746.2 Ų46.24%0.04224%0.236CC..Hα-helixtrans-62.6-47.9178.3170.10000110.5I592 W832 W833 Y838 S839 M840 L893 I896 I897I592-V836 HydrophobicContact CG1-CG1 4.4Å; W832-V836 WeakPolarHBondContact O-CG2 3.39Å; W832-V836 PolarHBondContact O-N 3.06Å; W833-V836 HydrophobicContact CE3-CB 4.46Å; W833-V836 HydrophobicContact CE3-CG1 4.45Å; W833-V836 HydrophobicContact CZ3-CG1 4.4Å; W833-V836 PolarHBondContact O-N 3.22Å; V836-Y838 PolarHBondContact O-N 3.14Å; V836-S839 PolarHBondContact O-N 2.94Å; V836-M840 HydrophobicContact CG1-CG 4.48Å; V836-M840 HydrophobicContact CG1-SD 3.73Å; V836-M840 WeakPolarHBondContact O-CB 3.28Å; V836-M840 VanDerWaalsContact O-CG 3.25Å; V836-M840 WeakPolarHBondContact O-CG 3.45Å; V836-M840 PolarHBondContact O-N 3.03Å; V836-L893 HydrophobicContact CG1-CD1 4.37Å; V836-I896 HydrophobicContact CG2-CB 4.42Å; V836-I896 HydrophobicContact CG2-CG2 3.79Å; V836-I897 HydrophobicContact CG1-CD1 4.27Å; V836-I897 HydrophobicContact CG1-CG1 4.36Å; V836-I897 HydrophobicContact CG2-CG1 4.02Å
837V91.3Very high89.9Confident91.75 Ų91.7537.8 Ų37.856%0.55621%0.205SC*.Hα-helixtrans-61.8-44.8177.5172.90000111.4W833 V834 S839 M840 A841W833-V837 WeakPolarHBondContact O-CG2 3.39Å; W833-V837 PolarHBondContact O-N 3.04Å; V834-V837 PolarHBondContact O-N 3.14Å; V837-S839 PolarHBondContact O-N 3.11Å; V837-M840 PolarHBondContact O-N 3.05Å; V837-A841 WeakPolarHBondContact O-CB 3.39Å; V837-A841 PolarHBondContact O-N 3.23Å
838Y91.7Very high89.7Confident49 Ų4936.9 Ų36.919%0.19220%0.202CC..Hα-helixtrans-62-43.9177179.1-110.3000112.4F802 V805 Y806 V834 I835 V836 M840 A841 M842F802-Y838 VanDerWaalsContact CA-OH 3.31Å; F802-Y838 WeakPolarHBondContact CA-OH 3.31Å; F802-Y838 WeakPolarHBondContact CB-OH 3.42Å; F802-Y838 PolarHBondContact O-OH 2.82Å; V805-Y838 HydrophobicContact CB-CE1 4.28Å; V805-Y838 WeakPolarHBondContact CB-OH 3.39Å; V805-Y838 HydrophobicContact CG1-CD1 4.46Å; V805-Y838 HydrophobicContact CG1-CE1 3.81Å; V805-Y838 HydrophobicContact CG1-CE2 3.95Å; Y806-Y838 HydrophobicContact CD1-CD1 4.19Å; Y806-Y838 HydrophobicContact CD1-CE1 4.09Å; Y806-Y838 HydrophobicContact CD2-CE1 4.23Å; Y806-Y838 AromaticContact CE1-CD1 3.61Å; Y806-Y838 HydrophobicContact CE1-CD1 3.61Å; Y806-Y838 AromaticContact CE1-CE1 3.74Å; Y806-Y838 HydrophobicContact CE1-CE1 3.74Å; Y806-Y838 AromaticContact CE2-CE1 3.92Å; Y806-Y838 HydrophobicContact CE2-CE1 3.92Å; Y806-Y838 HydrophobicContact CG-CE1 4.32Å; Y806-Y838 AromaticContact CZ-CD1 3.82Å; Y806-Y838 AromaticContact CZ-CE1 3.66Å; V834-Y838 VanDerWaalsContact O-CB 3.25Å; V834-Y838 WeakPolarHBondContact O-CB 3.33Å; V834-Y838 PolarHBondContact O-N 2.93Å; I835-Y838 PolarHBondContact O-N 3.1Å; V836-Y838 PolarHBondContact O-N 3.14Å; Y838-M840 VanDerWaalsContact C-N 3.32Å; Y838-M840 PolarHBondContact O-N 3.18Å; Y838-A841 PolarHBondContact O-N 3.17Å; Y838-M842 HydrophobicContact CD1-CG 4.46Å; Y838-M842 HydrophobicContact CD2-CG 4.27Å; Y838-M842 HydrophobicContact CE1-CG 3.92Å; Y838-M842 HydrophobicContact CE2-CG 3.68Å; Y838-M842 HydrophobicContact CE2-SD 4Å; Y838-M842 VanDerWaalsContact CZ-CG 3.44Å; Y838-M842 WeakPolarHBondContact O-CB 3.4Å; Y838-M842 WeakPolarHBondContact O-CG 3.37Å; Y838-M842 PolarHBondContact O-N 3.25Å; Y838-M842 WeakPolarHBondContact OH-CG 3.31Å
839S89.4Confident89.6Confident0.75 Ų0.7537.2 Ų37.21%0.00520%0.204CC..Hα-helixtrans-66.4-38.1179.9-53.60000111.9Y806 I835 V836 V837 L843Y806-S839 WeakPolarHBondContact OH-CA 3.41Å; Y806-S839 VanDerWaalsContact OH-CB 3.28Å; Y806-S839 WeakPolarHBondContact OH-CB 3.37Å; Y806-S839 PolarHBondContact OH-OG 3.36Å; I835-S839 VanDerWaalsContact O-CB 3.29Å; I835-S839 WeakPolarHBondContact O-CB 3.39Å; I835-S839 PolarHBondContact O-N 3.16Å; I835-S839 PolarHBondContact O-OG 3Å; V836-S839 PolarHBondContact O-N 2.94Å; V837-S839 PolarHBondContact O-N 3.11Å; S839-L843 VanDerWaalsContact O-CB 3.28Å; S839-L843 WeakPolarHBondContact O-CB 3.31Å; S839-L843 VanDerWaalsContact O-CG 3.31Å; S839-L843 WeakPolarHBondContact O-CG 3.09Å; S839-L843 PolarHBondContact O-N 3.29Å
840M86.7Confident89.4Confident36 Ų3634.2 Ų34.218%0.17719%0.187CC..Hα-helixtrans-67.1-44.3173.2-71.1-128.2128.500111.8C588 I592 V836 V837 Y838 M842 L843 L844 L893 I897C588-M840 HydrophobicContact CB-CE 3.6Å; C588-M840 VanDerWaalsContact CB-CE 3.49Å; C588-M840 WeakPolarHBondContact O-CE 3.48Å; I592-M840 HydrophobicContact CD1-CE 3.44Å; I592-M840 HydrophobicContact CD1-SD 3.61Å; I592-M840 VanDerWaalsContact CD1-SD 3.58Å; I592-M840 HydrophobicContact CG1-CE 4.04Å; I592-M840 HydrophobicContact CG1-SD 3.95Å; V836-M840 HydrophobicContact CG1-CG 4.48Å; V836-M840 HydrophobicContact CG1-SD 3.73Å; V836-M840 WeakPolarHBondContact O-CB 3.28Å; V836-M840 VanDerWaalsContact O-CG 3.25Å; V836-M840 WeakPolarHBondContact O-CG 3.45Å; V836-M840 PolarHBondContact O-N 3.03Å; V837-M840 PolarHBondContact O-N 3.05Å; Y838-M840 VanDerWaalsContact C-N 3.32Å; Y838-M840 PolarHBondContact O-N 3.18Å; M840-M842 PolarHBondContact O-N 2.92Å; M840-L843 PolarHBondContact O-N 3.02Å; M840-L844 WeakPolarHBondContact O-CB 3.4Å; M840-L844 VanDerWaalsContact O-CG 3.26Å; M840-L844 WeakPolarHBondContact O-CG 3.28Å; M840-L844 PolarHBondContact O-N 3.15Å; M840-L893 HydrophobicContact CE-CD1 3.65Å; M840-L893 HydrophobicContact CE-CD2 3.77Å; M840-L893 HydrophobicContact CE-CG 4.3Å; M840-L893 HydrophobicContact CG-CD1 3.66Å; M840-L893 VanDerWaalsContact CG-CD1 3.45Å; M840-L893 HydrophobicContact SD-CD1 4.08Å; M840-L893 WeakPolarHBondContact SD-CD1 3.32Å; M840-I897 HydrophobicContact CE-CD1 4.45Å
841A88.6Confident89.1Confident45.25 Ų45.2531.5 Ų31.537%0.37417%0.167SC..Hα-helixtrans-60.2-46.2176.200000111.4V837 Y838 L843 L844 C845V837-A841 WeakPolarHBondContact O-CB 3.39Å; V837-A841 PolarHBondContact O-N 3.23Å; Y838-A841 PolarHBondContact O-N 3.17Å; A841-L843 PolarHBondContact O-N 3.4Å; A841-L844 PolarHBondContact O-N 3.36Å; A841-C845 WeakPolarHBondContact O-CB 3.46Å; A841-C845 PolarHBondContact O-N 3.23Å; A841-C845 PolarHBondContact O-SG 2.97Å
842M87.8Confident88.4Confident27.5 Ų27.535.4 Ų35.414%0.13519%0.188CC..Hα-helixtrans-64-40.5176.9-73.8-53.5-42.800113F802 Y838 M840 C845 I846F802-M842 HydrophobicContact CB-CE 3.53Å; F802-M842 VanDerWaalsContact CB-CE 3.49Å; F802-M842 HydrophobicContact CB-CG 4.29Å; F802-M842 HydrophobicContact CB-SD 3.88Å; F802-M842 HydrophobicContact CD1-CE 3.75Å; F802-M842 HydrophobicContact CG-CE 3.78Å; Y838-M842 HydrophobicContact CD1-CG 4.46Å; Y838-M842 HydrophobicContact CD2-CG 4.27Å; Y838-M842 HydrophobicContact CE1-CG 3.92Å; Y838-M842 HydrophobicContact CE2-CG 3.68Å; Y838-M842 HydrophobicContact CE2-SD 4Å; Y838-M842 VanDerWaalsContact CZ-CG 3.44Å; Y838-M842 WeakPolarHBondContact O-CB 3.4Å; Y838-M842 WeakPolarHBondContact O-CG 3.37Å; Y838-M842 PolarHBondContact O-N 3.25Å; Y838-M842 WeakPolarHBondContact OH-CG 3.31Å; M840-M842 PolarHBondContact O-N 2.92Å; M842-C845 HydrophobicContact CE-CB 4.48Å; M842-C845 PolarHBondContact O-N 3.31Å; M842-I846 HydrophobicContact CE-CD1 4.37Å; M842-I846 HydrophobicContact CE-CG1 4.37Å; M842-I846 WeakPolarHBondContact O-CB 3.36Å; M842-I846 VanDerWaalsContact O-CG1 3.27Å; M842-I846 WeakPolarHBondContact O-CG1 3.25Å; M842-I846 PolarHBondContact O-N 3Å
843L87.2Confident87.9Confident8.5 Ų8.541.1 Ų41.15%0.04522%0.215CC..Hα-helixtrans-61.6-43.2175.1-165.5156000111.7M569 L584 S839 M840 A841 Y847 L886 P889 V890M569-L843 HydrophobicContact CE-CD1 4.38Å; L584-L843 HydrophobicContact CD1-CD2 4.2Å; L584-L843 HydrophobicContact CD2-CD2 3.87Å; L584-L843 HydrophobicContact CG-CD2 4.03Å; S839-L843 VanDerWaalsContact O-CB 3.28Å; S839-L843 WeakPolarHBondContact O-CB 3.31Å; S839-L843 VanDerWaalsContact O-CG 3.31Å; S839-L843 WeakPolarHBondContact O-CG 3.09Å; S839-L843 PolarHBondContact O-N 3.29Å; M840-L843 PolarHBondContact O-N 3.02Å; A841-L843 PolarHBondContact O-N 3.4Å; L843-Y847 VanDerWaalsContact O-CB 3.26Å; L843-Y847 WeakPolarHBondContact O-CB 3.29Å; L843-Y847 PolarHBondContact O-N 3.12Å; L843-Y847 VanDerWaalsContact O-N 3.1Å; L843-L886 HydrophobicContact CD2-CD2 3.74Å; L843-L886 HydrophobicContact CG-CD2 4.43Å; L843-P889 HydrophobicContact CD2-CB 4.05Å; L843-P889 HydrophobicContact CG-CB 4.22Å; L843-V890 HydrophobicContact CD1-CG2 3.6Å; L843-V890 VanDerWaalsContact CD1-CG2 3.49Å; L843-V890 HydrophobicContact CD2-CG2 3.91Å
844L87.1Confident87.5Confident57.75 Ų57.7536.7 Ų36.730%0.30220%0.2SC..Hα-helixtrans-66.6-40.9176-67.1169.1000111.6F581 L585 M840 A841 Y847 T848F581-L844 HydrophobicContact CD2-CD2 4.47Å; F581-L844 HydrophobicContact CE2-CD2 3.52Å; F581-L844 HydrophobicContact CZ-CD2 3.87Å; L585-L844 HydrophobicContact CD1-CD1 4.42Å; L585-L844 HydrophobicContact CD1-CD2 4.44Å; M840-L844 WeakPolarHBondContact O-CB 3.4Å; M840-L844 VanDerWaalsContact O-CG 3.26Å; M840-L844 WeakPolarHBondContact O-CG 3.28Å; M840-L844 PolarHBondContact O-N 3.15Å; A841-L844 PolarHBondContact O-N 3.36Å; L844-Y847 PolarHBondContact O-N 3.13Å; L844-T848 WeakPolarHBondContact O-CB 3.4Å; L844-T848 WeakPolarHBondContact O-CG2 3.37Å; L844-T848 PolarHBondContact O-N 2.98Å; L844-T848 PolarHBondContact O-OG1 3.12Å; L844-T848 VanDerWaalsContact O-OG1 3.07Å
845C86.3Confident87.1Confident41.25 Ų41.2534.9 Ų34.928%0.27919%0.19SC..Hα-helixtrans-63.9-47.8175.9-71.30000112.4A841 M842 Y847 T848 F849 L874A841-C845 WeakPolarHBondContact O-CB 3.46Å; A841-C845 PolarHBondContact O-N 3.23Å; A841-C845 PolarHBondContact O-SG 2.97Å; M842-C845 HydrophobicContact CE-CB 4.48Å; M842-C845 PolarHBondContact O-N 3.31Å; C845-Y847 VanDerWaalsContact C-N 3.29Å; C845-Y847 PolarHBondContact O-N 3.09Å; C845-T848 PolarHBondContact O-N 3.15Å; C845-T848 PolarHBondContact O-OG1 3.15Å; C845-F849 VanDerWaalsContact O-CB 3.3Å; C845-F849 WeakPolarHBondContact O-CB 3.4Å; C845-F849 PolarHBondContact O-N 3.1Å; C845-L874 HydrophobicContact CB-CD2 4.42Å
846I86.5Confident86.7Confident4.75 Ų4.7537.2 Ų37.22%0.02421%0.206CC..Hα-helixtrans-61.6-40.3178.8-68.2165.3000110.6F802 M842 Q850 F877 L882 L886F802-I846 HydrophobicContact CD1-CD1 4.48Å; F802-I846 HydrophobicContact CE1-CD1 3.96Å; F802-I846 HydrophobicContact CZ-CD1 4.01Å; M842-I846 HydrophobicContact CE-CD1 4.37Å; M842-I846 HydrophobicContact CE-CG1 4.37Å; M842-I846 WeakPolarHBondContact O-CB 3.36Å; M842-I846 VanDerWaalsContact O-CG1 3.27Å; M842-I846 WeakPolarHBondContact O-CG1 3.25Å; M842-I846 PolarHBondContact O-N 3Å; I846-Q850 WeakPolarHBondContact O-CG 3.34Å; I846-Q850 PolarHBondContact O-NE2 3Å; I846-F877 HydrophobicContact CG2-CE2 4.46Å; I846-L882 HydrophobicContact CG2-CD1 4.35Å; I846-L886 HydrophobicContact CB-CD2 4.21Å; I846-L886 HydrophobicContact CG2-CD2 3.78Å; I846-L886 HydrophobicContact CG2-CG 4.45Å
847Y86.1Confident86.5Confident35 Ų3542.1 Ų42.114%0.13723%0.227CC..Hα-helixtrans-66.7-50.5176.1-176.9-87.8000112.5A572 S577 F581 L584 L843 L844 C845 F849 Q850 F851A572-Y847 WeakPolarHBondContact O-CE2 3.34Å; S577-Y847 PolarHBondContact N-OH 2.88Å; S577-Y847 VanDerWaalsContact N-OH 3.1Å; S577-Y847 PolarHBondContact O-OH 3.07Å; F581-Y847 HydrophobicContact CB-CE1 3.85Å; F581-Y847 AromaticContact CD2-CD1 3.58Å; F581-Y847 HydrophobicContact CD2-CD1 3.58Å; F581-Y847 AromaticContact CD2-CE1 3.6Å; F581-Y847 HydrophobicContact CD2-CE1 3.6Å; F581-Y847 HydrophobicContact CE2-CD1 4.19Å; F581-Y847 HydrophobicContact CG-CE1 4.16Å; L584-Y847 HydrophobicContact CD2-CD1 4.43Å; L584-Y847 HydrophobicContact CD2-CD2 3.69Å; L584-Y847 HydrophobicContact CD2-CE2 4.13Å; L584-Y847 HydrophobicContact CD2-CG 3.85Å; L843-Y847 VanDerWaalsContact O-CB 3.26Å; L843-Y847 WeakPolarHBondContact O-CB 3.29Å; L843-Y847 PolarHBondContact O-N 3.12Å; L843-Y847 VanDerWaalsContact O-N 3.1Å; L844-Y847 PolarHBondContact O-N 3.13Å; C845-Y847 VanDerWaalsContact C-N 3.29Å; C845-Y847 PolarHBondContact O-N 3.09Å; Y847-F849 VanDerWaalsContact C-N 3.28Å; Y847-F849 PolarHBondContact O-N 3.33Å; Y847-Q850 WeakPolarHBondContact O-CB 3.36Å; Y847-Q850 WeakPolarHBondContact O-CG 3.28Å; Y847-Q850 PolarHBondContact O-N 3.13Å; Y847-Q850 VanDerWaalsContact O-N 3.12Å; Y847-F851 HydrophobicContact CD1-CE2 4.31Å; Y847-F851 AromaticContact CE1-CE2 3.95Å; Y847-F851 HydrophobicContact CE1-CE2 4.08Å; Y847-F851 AromaticContact CE1-CZ 3.95Å; Y847-F851 HydrophobicContact CE1-CZ 4.03Å
848T86.8Confident86.2Confident31.25 Ų31.2540.8 Ų40.819%0.19221%0.212CC..Hα-helixtrans-68.5-19.8-179.153.90000113.2W578 F581 L844 C845 Q850 F851 S854W578-T848 HydrophobicContact CH2-CG2 4.22Å; F581-T848 HydrophobicContact CD2-CG2 4.5Å; F581-T848 HydrophobicContact CE2-CG2 4.01Å; F581-T848 HydrophobicContact CZ-CG2 4.25Å; L844-T848 WeakPolarHBondContact O-CB 3.4Å; L844-T848 WeakPolarHBondContact O-CG2 3.37Å; L844-T848 PolarHBondContact O-N 2.98Å; L844-T848 PolarHBondContact O-OG1 3.12Å; L844-T848 VanDerWaalsContact O-OG1 3.07Å; C845-T848 PolarHBondContact O-N 3.15Å; C845-T848 PolarHBondContact O-OG1 3.15Å; T848-Q850 VanDerWaalsContact C-N 3.28Å; T848-Q850 PolarHBondContact O-N 3.28Å; T848-Q850 VanDerWaalsContact O-N 3.17Å; T848-F851 HydrophobicContact CG2-CE2 4.38Å; T848-F851 WeakPolarHBondContact O-CD2 3.45Å; T848-F851 PolarHBondContact O-N 3.29Å; T848-S854 WeakPolarHBondContact O-CB 3.34Å; T848-S854 PolarHBondContact O-OG 3.14Å; T848-S854 VanDerWaalsContact O-OG 3.07Å
849F88Confident86Confident7 Ų742 Ų423%0.03122%0.219CC..THydrogen-bonded Turntrans-71.2-14.9173-158.5-98.3000114.1C845 Y847 F851 S854 P855 W858 L869 L874 T876C845-F849 VanDerWaalsContact O-CB 3.3Å; C845-F849 WeakPolarHBondContact O-CB 3.4Å; C845-F849 PolarHBondContact O-N 3.1Å; Y847-F849 VanDerWaalsContact C-N 3.28Å; Y847-F849 PolarHBondContact O-N 3.33Å; F849-F851 VanDerWaalsContact C-N 3.31Å; F849-F851 PolarHBondContact O-N 3.24Å; F849-S854 WeakPolarHBondContact CA-OG 3.49Å; F849-P855 HydrophobicContact CE1-CB 4.49Å; F849-P855 HydrophobicContact CE1-CG 4Å; F849-P855 HydrophobicContact CE2-CB 4.46Å; F849-P855 HydrophobicContact CE2-CG 4.43Å; F849-P855 HydrophobicContact CZ-CB 3.93Å; F849-P855 HydrophobicContact CZ-CG 3.85Å; F849-W858 AromaticContact CD2-CD1 3.53Å; F849-W858 VanDerWaalsContact CD2-CD1 3.45Å; F849-W858 HydrophobicContact CD2-CG 4.29Å; F849-W858 AromaticContact CD2-NE1 3.92Å; F849-W858 HydrophobicContact CE2-CB 4.2Å; F849-W858 AromaticContact CE2-CD1 3.71Å; F849-W858 HydrophobicContact CE2-CG 4.15Å; F849-L869 HydrophobicContact CE2-CD1 4.19Å; F849-L869 HydrophobicContact CE2-CD2 3.75Å; F849-L869 HydrophobicContact CE2-CG 3.97Å; F849-L869 HydrophobicContact CZ-CD1 4.49Å; F849-L869 HydrophobicContact CZ-CD2 3.59Å; F849-L869 HydrophobicContact CZ-CG 3.83Å; F849-L874 HydrophobicContact CB-CD2 4.09Å; F849-L874 HydrophobicContact CD1-CB 4.05Å; F849-L874 HydrophobicContact CD2-CB 3.87Å; F849-L874 HydrophobicContact CD2-CD1 4.32Å; F849-L874 HydrophobicContact CD2-CD2 4.28Å; F849-L874 HydrophobicContact CD2-CG 4.38Å; F849-L874 VanDerWaalsContact CE1-C 3.42Å; F849-L874 HydrophobicContact CE1-CB 4.09Å; F849-L874 VanDerWaalsContact CE1-O 3.25Å; F849-L874 WeakPolarHBondContact CE1-O 3.35Å; F849-L874 HydrophobicContact CE2-CB 3.92Å; F849-L874 HydrophobicContact CG-CB 3.94Å; F849-L874 HydrophobicContact CG-CD2 4.15Å; F849-L874 HydrophobicContact CG-CG 4.49Å; F849-L874 HydrophobicContact CZ-CB 4.03Å; F849-L874 WeakPolarHBondContact CZ-O 3.44Å; F849-T876 HydrophobicContact CD1-CG2 4.49Å
850Q87.6Confident86Confident15.25 Ų15.2550.3 Ų50.37%0.07126%0.256CS..THydrogen-bonded Turntrans-80.3-10.6-178.8-53.4-49.6-57.800114R576 I846 Y847 T848 E875 L882R576-Q850 PolarHBondContact NH1-O 2.98Å; R576-Q850 PolarHBondContact NH2-O 3.15Å; R576-Q850 VanDerWaalsContact NH2-O 3.15Å; I846-Q850 WeakPolarHBondContact O-CG 3.34Å; I846-Q850 PolarHBondContact O-NE2 3Å; Y847-Q850 WeakPolarHBondContact O-CB 3.36Å; Y847-Q850 WeakPolarHBondContact O-CG 3.28Å; Y847-Q850 PolarHBondContact O-N 3.13Å; Y847-Q850 VanDerWaalsContact O-N 3.12Å; T848-Q850 VanDerWaalsContact C-N 3.28Å; T848-Q850 PolarHBondContact O-N 3.28Å; T848-Q850 VanDerWaalsContact O-N 3.17Å; Q850-E875 PolarHBondContact NE2-O 3.03Å; Q850-L882 HydrophobicContact CG-CD1 3.83Å; Q850-L882 HydrophobicContact CG-CD2 4.07Å
851F85.8Confident86.1Confident22.25 Ų22.2555.1 Ų55.110%0.09828%0.276CS..SBendtrans-73.6144.3174-64.9-66.9000111.2R576 W578 E643 Y847 T848 F849 E853 S854 P855R576-F851 HydrophobicContact CG-CE1 4.33Å; W578-F851 AromaticContact CD1-CE1 3.69Å; W578-F851 AromaticContact CD1-CZ 3.78Å; W578-F851 HydrophobicContact CD2-CE1 4.49Å; W578-F851 AromaticContact CD2-CE2 3.93Å; W578-F851 HydrophobicContact CD2-CE2 3.93Å; W578-F851 AromaticContact CD2-CZ 3.88Å; W578-F851 HydrophobicContact CD2-CZ 3.88Å; W578-F851 AromaticContact CE2-CD2 3.8Å; W578-F851 AromaticContact CE2-CE2 3.54Å; W578-F851 AromaticContact CE2-CZ 3.77Å; W578-F851 HydrophobicContact CE3-CE2 4.38Å; W578-F851 HydrophobicContact CG-CE1 4.24Å; W578-F851 HydrophobicContact CG-CE2 4.43Å; W578-F851 AromaticContact CG-CZ 3.9Å; W578-F851 HydrophobicContact CG-CZ 3.9Å; W578-F851 HydrophobicContact CH2-CD2 4.42Å; W578-F851 HydrophobicContact CH2-CE2 4.19Å; W578-F851 AromaticContact CZ2-CD2 3.69Å; W578-F851 HydrophobicContact CZ2-CD2 3.69Å; W578-F851 AromaticContact CZ2-CE2 3.69Å; W578-F851 HydrophobicContact CZ2-CE2 3.69Å; W578-F851 HydrophobicContact CZ2-CG 4.4Å; W578-F851 HydrophobicContact CZ2-CZ 4.39Å; W578-F851 HydrophobicContact CZ3-CE2 4.49Å; W578-F851 AromaticContact NE1-CD1 3.79Å; W578-F851 AromaticContact NE1-CD2 3.92Å; W578-F851 AromaticContact NE1-CE1 3.67Å; W578-F851 AromaticContact NE1-CE2 3.81Å; W578-F851 AromaticContact NE1-CG 3.93Å; W578-F851 AromaticContact NE1-CZ 3.68Å; E643-F851 HydrophobicContact CB-CD1 4.07Å; E643-F851 HydrophobicContact CB-CE1 4.35Å; E643-F851 HydrophobicContact CG-CD1 4.3Å; E643-F851 VanDerWaalsContact OE1-CA 3.26Å; E643-F851 WeakPolarHBondContact OE1-CA 3.44Å; E643-F851 WeakPolarHBondContact OE1-CB 3.37Å; E643-F851 WeakPolarHBondContact OE1-CD1 3.34Å; Y847-F851 HydrophobicContact CD1-CE2 4.31Å; Y847-F851 AromaticContact CE1-CE2 3.95Å; Y847-F851 HydrophobicContact CE1-CE2 4.08Å; Y847-F851 AromaticContact CE1-CZ 3.95Å; Y847-F851 HydrophobicContact CE1-CZ 4.03Å; T848-F851 HydrophobicContact CG2-CE2 4.38Å; T848-F851 WeakPolarHBondContact O-CD2 3.45Å; T848-F851 PolarHBondContact O-N 3.29Å; F849-F851 VanDerWaalsContact C-N 3.31Å; F849-F851 PolarHBondContact O-N 3.24Å; F851-E853 VanDerWaalsContact C-N 3.33Å; F851-E853 PolarHBondContact O-N 3.16Å; F851-S854 VanDerWaalsContact O-CB 3.23Å; F851-S854 WeakPolarHBondContact O-CB 3.35Å; F851-S854 PolarHBondContact O-N 3.21Å; F851-P855 VanDerWaalsContact O-CD 3.26Å; F851-P855 WeakPolarHBondContact O-CD 3.28Å
852N79.4Confident86Confident89.25 Ų89.2557 Ų5748%0.47728%0.279SS..THydrogen-bonded Turntrans-61.8-38.9-169.4-64.5-18.1000112.1Q640 E643 S854 P855Q640-N852 PolarHBondContact OE1-ND2 3.02Å; Q640-N852 VanDerWaalsContact OE1-ND2 3.13Å; E643-N852 PolarHBondContact OE1-N 3.24Å; N852-S854 VanDerWaalsContact C-N 3.31Å; N852-S854 PolarHBondContact O-N 3.11Å; N852-P855 WeakPolarHBondContact O-CD 3.42Å
853E81.7Confident85.9Confident118.75 Ų118.7563.9 Ų63.956%0.55531%0.31SS*.THydrogen-bonded Turntrans-85.33.6175.6-69.4-57.4153.500114.2F851 S856 F857F851-E853 VanDerWaalsContact C-N 3.33Å; F851-E853 PolarHBondContact O-N 3.16Å; E853-S856 WeakPolarHBondContact CA-OG 3.3Å; E853-S856 PolarHBondContact O-OG 3.18Å; E853-S856 PolarHBondContact OE2-OG 3.03Å; E853-F857 WeakPolarHBondContact O-CB 3.25Å; E853-F857 PolarHBondContact O-N 3.05Å; E853-F857 VanDerWaalsContact O-N 3.11Å
854S84.2Confident85.7Confident13.25 Ų13.2566 Ų669%0.09332%0.321CS..Hα-helixtrans-73.5-49.1179.1-150.40000112.3T848 F849 F851 N852 S856 F857 W858T848-S854 WeakPolarHBondContact O-CB 3.34Å; T848-S854 PolarHBondContact O-OG 3.14Å; T848-S854 VanDerWaalsContact O-OG 3.07Å; F849-S854 WeakPolarHBondContact CA-OG 3.49Å; F851-S854 VanDerWaalsContact O-CB 3.23Å; F851-S854 WeakPolarHBondContact O-CB 3.35Å; F851-S854 PolarHBondContact O-N 3.21Å; N852-S854 VanDerWaalsContact C-N 3.31Å; N852-S854 PolarHBondContact O-N 3.11Å; S854-S856 VanDerWaalsContact C-N 3.34Å; S854-S856 PolarHBondContact O-N 3.18Å; S854-F857 PolarHBondContact O-N 3.22Å; S854-W858 PolarHBondContact O-N 3.33Å; S854-W858 VanDerWaalsContact OG-CD1 3.26Å; S854-W858 PolarHBondContact OG-NE1 3.26Å
855P83.3Confident85.6Confident28.75 Ų28.7565.3 Ų65.319%0.18732%0.322CS..Hα-helixtrans-58.9-41.8178.4-2535.2000113.3F849 F851 N852 W858 Q859 T876F849-P855 HydrophobicContact CE1-CB 4.49Å; F849-P855 HydrophobicContact CE1-CG 4Å; F849-P855 HydrophobicContact CE2-CB 4.46Å; F849-P855 HydrophobicContact CE2-CG 4.43Å; F849-P855 HydrophobicContact CZ-CB 3.93Å; F849-P855 HydrophobicContact CZ-CG 3.85Å; F851-P855 VanDerWaalsContact O-CD 3.26Å; F851-P855 WeakPolarHBondContact O-CD 3.28Å; N852-P855 WeakPolarHBondContact O-CD 3.42Å; P855-W858 PolarHBondContact O-N 2.99Å; P855-Q859 WeakPolarHBondContact O-CB 3.31Å; P855-Q859 WeakPolarHBondContact O-CG 3.32Å; P855-Q859 PolarHBondContact O-N 2.92Å; P855-Q859 PolarHBondContact O-NE2 2.93Å; P855-T876 HydrophobicContact CG-CG2 4.33Å
856S83.8Confident85.5Confident50.5 Ų50.567.2 Ų67.235%0.35333%0.333SS..Hα-helixtrans-62.6-47175.9540000111.3E853 S854 K860E853-S856 WeakPolarHBondContact CA-OG 3.3Å; E853-S856 PolarHBondContact O-OG 3.18Å; E853-S856 PolarHBondContact OE2-OG 3.03Å; S854-S856 VanDerWaalsContact C-N 3.34Å; S854-S856 PolarHBondContact O-N 3.18Å; S856-K860 VanDerWaalsContact O-CB 3.28Å; S856-K860 WeakPolarHBondContact O-CB 3.4Å; S856-K860 PolarHBondContact O-N 3.33Å
857F86.2Confident85.3Confident109.5 Ų109.572.5 Ų72.548%0.4836%0.358SS..Hα-helixtrans-60.1-48.5175.9176.1-95.9000112.9E853 S854 K860 K861E853-F857 WeakPolarHBondContact O-CB 3.25Å; E853-F857 PolarHBondContact O-N 3.05Å; E853-F857 VanDerWaalsContact O-N 3.11Å; S854-F857 PolarHBondContact O-N 3.22Å; F857-K860 PolarHBondContact O-N 3.16Å; F857-K861 HydrophobicContact CE1-CD 3.88Å; F857-K861 HydrophobicContact CE2-CD 4.44Å; F857-K861 HydrophobicContact CZ-CD 3.79Å; F857-K861 WeakPolarHBondContact O-CB 3.3Å; F857-K861 PolarHBondContact O-N 3.18Å
858W86.4Confident85.3Confident65.75 Ų65.7573.8 Ų73.825%0.24937%0.366CS..Hα-helixtrans-67.2-40.9-179.2-75.7108.5000112.3F849 S854 P855 K861 L862 L869F849-W858 AromaticContact CD2-CD1 3.53Å; F849-W858 VanDerWaalsContact CD2-CD1 3.45Å; F849-W858 HydrophobicContact CD2-CG 4.29Å; F849-W858 AromaticContact CD2-NE1 3.92Å; F849-W858 HydrophobicContact CE2-CB 4.2Å; F849-W858 AromaticContact CE2-CD1 3.71Å; F849-W858 HydrophobicContact CE2-CG 4.15Å; S854-W858 PolarHBondContact O-N 3.33Å; S854-W858 VanDerWaalsContact OG-CD1 3.26Å; S854-W858 PolarHBondContact OG-NE1 3.26Å; P855-W858 PolarHBondContact O-N 2.99Å; W858-K861 PolarHBondContact O-N 3.21Å; W858-L862 HydrophobicContact CE3-CD1 3.62Å; W858-L862 HydrophobicContact CE3-CG 4.18Å; W858-L862 HydrophobicContact CZ3-CD1 4.12Å; W858-L862 WeakPolarHBondContact O-CB 3.33Å; W858-L862 PolarHBondContact O-N 3.1Å; W858-L869 HydrophobicContact CB-CD1 4.4Å; W858-L869 HydrophobicContact CB-CD2 4.38Å
859Q87.2Confident85.3Confident73.5 Ų73.572.7 Ų72.734%0.34336%0.359SS..Hα-helixtrans-60.8-49173.8-72.9170.528.800111.2P855 K861 H863 L869P855-Q859 WeakPolarHBondContact O-CB 3.31Å; P855-Q859 WeakPolarHBondContact O-CG 3.32Å; P855-Q859 PolarHBondContact O-N 2.92Å; P855-Q859 PolarHBondContact O-NE2 2.93Å; Q859-K861 VanDerWaalsContact C-N 3.29Å; Q859-K861 PolarHBondContact O-N 3.21Å; Q859-H863 WeakPolarHBondContact O-CA 3.3Å; Q859-H863 PolarHBondContact O-N 3.24Å; Q859-L869 HydrophobicContact CG-CD2 3.94Å
860K88.6Confident85.1Confident175.5 Ų175.577.5 Ų77.576%0.76338%0.38SS*.Hα-helixtrans-64.6-28.4179.2-171.7173-177.9176.10113.3S856 F857S856-K860 VanDerWaalsContact O-CB 3.28Å; S856-K860 WeakPolarHBondContact O-CB 3.4Å; S856-K860 PolarHBondContact O-N 3.33Å; F857-K860 PolarHBondContact O-N 3.16Å
861K89.2Confident85Confident137.5 Ų137.577 Ų7760%0.59838%0.379SS*.Hα-helixtrans-90.8-27.8-176.7-172.7171.5-178.9177.90114.7F857 W858 Q859F857-K861 HydrophobicContact CE1-CD 3.88Å; F857-K861 HydrophobicContact CE2-CD 4.44Å; F857-K861 HydrophobicContact CZ-CD 3.79Å; F857-K861 WeakPolarHBondContact O-CB 3.3Å; F857-K861 PolarHBondContact O-N 3.18Å; W858-K861 PolarHBondContact O-N 3.21Å; Q859-K861 VanDerWaalsContact C-N 3.29Å; Q859-K861 PolarHBondContact O-N 3.21Å
862L85.8Confident84.9Confident84.75 Ų84.7580.1 Ų80.144%0.44439%0.392SS..Hα-helixtrans-109-10.2178.8-69.8132.2000114.1W858 L864W858-L862 HydrophobicContact CE3-CD1 3.62Å; W858-L862 HydrophobicContact CE3-CG 4.18Å; W858-L862 HydrophobicContact CZ3-CD1 4.12Å; W858-L862 WeakPolarHBondContact O-CB 3.33Å; W858-L862 PolarHBondContact O-N 3.1Å; L862-L864 HydrophobicContact CB-CB 4.43Å; L862-L864 HydrophobicContact CB-CD1 3.98Å; L862-L864 HydrophobicContact CB-CG 3.89Å; L862-L864 HydrophobicContact CD1-CD1 4.16Å; L862-L864 HydrophobicContact CD2-CD1 3.99Å; L862-L864 PolarHBondContact O-N 3.27Å
863H86.1Confident85.1Confident171 Ų17176 Ų7679%0.79237%0.371SS*.  trans55.530.8-173.5-56.1-75.8000113.9Q859Q859-H863 WeakPolarHBondContact O-CA 3.3Å; Q859-H863 PolarHBondContact O-N 3.24Å
864L83.5Confident85.2Confident53.25 Ų53.2571.6 Ų71.628%0.27935%0.351SS..  trans-97145.1178.2-63.6177.2000111.5L862 I868 F872L862-L864 HydrophobicContact CB-CB 4.43Å; L862-L864 HydrophobicContact CB-CD1 3.98Å; L862-L864 HydrophobicContact CB-CG 3.89Å; L862-L864 HydrophobicContact CD1-CD1 4.16Å; L862-L864 HydrophobicContact CD2-CD1 3.99Å; L862-L864 PolarHBondContact O-N 3.27Å; L864-I868 HydrophobicContact CB-CB 4.5Å; L864-I868 HydrophobicContact CB-CG2 4.41Å; L864-I868 HydrophobicContact CD1-CG2 4.18Å; L864-I868 HydrophobicContact CD2-CD1 4.42Å; L864-I868 HydrophobicContact CD2-CG2 4.2Å; L864-I868 HydrophobicContact CG-CG2 4.49Å; L864-F872 HydrophobicContact CD1-CE2 4.01Å
865S85.3Confident85.2Confident44 Ų4472.9 Ų72.931%0.30836%0.356SS..  trans-67.3154.117473.80000111.6E867 I868 L869S865-E867 PolarHBondContact O-N 3.15Å; S865-I868 PolarHBondContact O-N 3.2Å; S865-I868 VanDerWaalsContact O-N 3.15Å; S865-I868 WeakPolarHBondContact OG-CG1 3.4Å; S865-I868 PolarHBondContact OG-N 3.44Å; S865-L869 WeakPolarHBondContact O-CB 3.47Å; S865-L869 PolarHBondContact O-N 3.29Å
866P83.9Confident85.2Confident79.75 Ų79.7575.9 Ų75.952%0.51837%0.374SS..Hα-helixtrans-58.6-28.1174.623-34.1000112.9L869 K870P866-L869 PolarHBondContact O-N 3.23Å; P866-K870 VanDerWaalsContact O-CB 3.32Å; P866-K870 WeakPolarHBondContact O-CB 3.4Å; P866-K870 PolarHBondContact O-N 3.02Å
867E83.1Confident85.1Confident117.5 Ų117.575.3 Ų75.355%0.54937%0.365SS..Hα-helixtrans-68.1-40.9176.6-59.4-179.3158.100112.7S865 A871S865-E867 PolarHBondContact O-N 3.15Å; E867-A871 WeakPolarHBondContact O-CB 3.39Å; E867-A871 PolarHBondContact O-N 3.11Å
868I85.4Confident84.8Confident62 Ų6277.9 Ų77.932%0.31838%0.379SS..Hα-helixtrans-69.3-41174.8-65.7166.2000109.7L864 S865 K870 A871 F872 A1047L864-I868 HydrophobicContact CB-CB 4.5Å; L864-I868 HydrophobicContact CB-CG2 4.41Å; L864-I868 HydrophobicContact CD1-CG2 4.18Å; L864-I868 HydrophobicContact CD2-CD1 4.42Å; L864-I868 HydrophobicContact CD2-CG2 4.2Å; L864-I868 HydrophobicContact CG-CG2 4.49Å; S865-I868 PolarHBondContact O-N 3.2Å; S865-I868 VanDerWaalsContact O-N 3.15Å; S865-I868 WeakPolarHBondContact OG-CG1 3.4Å; S865-I868 PolarHBondContact OG-N 3.44Å; I868-K870 VanDerWaalsContact C-N 3.34Å; I868-K870 PolarHBondContact O-N 3.04Å; I868-A871 CarbonylContact O-C 3.54Å; I868-A871 WeakPolarHBondContact O-CA 3.4Å; I868-A871 WeakPolarHBondContact O-CB 3.39Å; I868-A871 PolarHBondContact O-N 3.29Å; I868-A871 VanDerWaalsContact O-N 3.1Å; I868-F872 HydrophobicContact CG2-CD2 3.97Å; I868-F872 HydrophobicContact CG2-CE2 3.78Å; I868-F872 VanDerWaalsContact O-CD2 3.3Å; I868-F872 WeakPolarHBondContact O-CD2 3.35Å; I868-F872 PolarHBondContact O-N 3.11Å; I868-A1047 HydrophobicContact CG1-CB 4.32Å
869L86.1Confident84.3Confident8 Ų878.9 Ų78.94%0.04240%0.396CS..Hα-helixtrans-61.5-42.9177.4-163.357.2000111.4F849 W858 Q859 S865 P866 F872 G873 L874F849-L869 HydrophobicContact CE2-CD1 4.19Å; F849-L869 HydrophobicContact CE2-CD2 3.75Å; F849-L869 HydrophobicContact CE2-CG 3.97Å; F849-L869 HydrophobicContact CZ-CD1 4.49Å; F849-L869 HydrophobicContact CZ-CD2 3.59Å; F849-L869 HydrophobicContact CZ-CG 3.83Å; W858-L869 HydrophobicContact CB-CD1 4.4Å; W858-L869 HydrophobicContact CB-CD2 4.38Å; Q859-L869 HydrophobicContact CG-CD2 3.94Å; S865-L869 WeakPolarHBondContact O-CB 3.47Å; S865-L869 PolarHBondContact O-N 3.29Å; P866-L869 PolarHBondContact O-N 3.23Å; L869-F872 WeakPolarHBondContact O-CB 3.35Å; L869-F872 PolarHBondContact O-N 2.94Å; L869-G873 PolarHBondContact O-N 3.05Å; L869-L874 CarbonylContact C-O 3.56Å; L869-L874 HydrophobicContact CD1-CB 4.03Å; L869-L874 HydrophobicContact CD1-CD1 3.79Å; L869-L874 HydrophobicContact CG-CB 4.11Å; L869-L874 WeakPolarHBondContact O-CB 3.44Å; L869-L874 PolarHBondContact O-N 3.02Å; L869-L874 VanDerWaalsContact O-N 3.1Å
870K84.9Confident83.9Confident107 Ų10779.2 Ų79.247%0.46541%0.411SS..Hα-helixtrans-62.5-40.7169.7-176175.1176.899.50112.3P866 I868 F872 G873 E875P866-K870 VanDerWaalsContact O-CB 3.32Å; P866-K870 WeakPolarHBondContact O-CB 3.4Å; P866-K870 PolarHBondContact O-N 3.02Å; I868-K870 VanDerWaalsContact C-N 3.34Å; I868-K870 PolarHBondContact O-N 3.04Å; K870-F872 VanDerWaalsContact C-N 3.28Å; K870-F872 PolarHBondContact O-N 3.07Å; K870-G873 WeakPolarHBondContact O-CA 3.23Å; K870-G873 PolarHBondContact O-N 2.91Å; K870-E875 WeakPolarHBondContact CE-OE2 3.37Å; K870-E875 HydrophobicContact CG-CB 4.47Å; K870-E875 IonicContact NZ-OE2 2.88Å; K870-E875 PolarHBondContact NZ-OE2 3.2Å
871A83.9Confident83.5Confident5 Ų572.6 Ų72.64%0.04139%0.389CS..Hα-helixtrans-63.1-31.8175.300000112.9V800 V801 E867 I868 G873 L1045 S1046 A1047V800-A871 WeakPolarHBondContact CA-O 3.4Å; V801-A871 PolarHBondContact N-O 3.12Å; E867-A871 WeakPolarHBondContact O-CB 3.39Å; E867-A871 PolarHBondContact O-N 3.11Å; I868-A871 CarbonylContact O-C 3.54Å; I868-A871 WeakPolarHBondContact O-CA 3.4Å; I868-A871 WeakPolarHBondContact O-CB 3.39Å; I868-A871 PolarHBondContact O-N 3.29Å; I868-A871 VanDerWaalsContact O-N 3.1Å; A871-G873 PolarHBondContact O-N 2.98Å; A871-L1045 HydrophobicContact CB-CD2 4.48Å; A871-S1046 WeakPolarHBondContact CB-OG 3.25Å; A871-A1047 HydrophobicContact CB-CB 4.14Å
872F84.9Confident83.2Confident87.5 Ų87.566.6 Ų66.638%0.38436%0.363SS..Hα-helixtrans-63.7-20169.6-86.4-76.7000113.3V801 F802 L864 I868 L869 K870V801-F872 HydrophobicContact CB-CD1 3.72Å; V801-F872 HydrophobicContact CB-CE1 4.19Å; V801-F872 HydrophobicContact CB-CG 4.4Å; V801-F872 HydrophobicContact CG1-CD1 3.87Å; V801-F872 HydrophobicContact CG1-CE1 3.88Å; V801-F872 HydrophobicContact CG2-CD1 3.95Å; V801-F872 HydrophobicContact CG2-CE1 4.27Å; V801-F872 HydrophobicContact CG2-CG 4.31Å; F802-F872 WeakPolarHBondContact CD1-O 3.3Å; L864-F872 HydrophobicContact CD1-CE2 4.01Å; I868-F872 HydrophobicContact CG2-CD2 3.97Å; I868-F872 HydrophobicContact CG2-CE2 3.78Å; I868-F872 VanDerWaalsContact O-CD2 3.3Å; I868-F872 WeakPolarHBondContact O-CD2 3.35Å; I868-F872 PolarHBondContact O-N 3.11Å; L869-F872 WeakPolarHBondContact O-CB 3.35Å; L869-F872 PolarHBondContact O-N 2.94Å; K870-F872 VanDerWaalsContact C-N 3.28Å; K870-F872 PolarHBondContact O-N 3.07Å
873G82.5Confident82.9Confident3.75 Ų3.7567.7 Ų67.74%0.03937%0.365CS..THydrogen-bonded Turntrans91.316.7-171.200000113.5L869 K870 A871L869-G873 PolarHBondContact O-N 3.05Å; K870-G873 WeakPolarHBondContact O-CA 3.23Å; K870-G873 PolarHBondContact O-N 2.91Å; A871-G873 PolarHBondContact O-N 2.98Å
874L84.8Confident82.7Confident26.25 Ų26.2564.8 Ų64.814%0.13735%0.352CS..  trans-97.589.2172.9-64.1176.4000108.5C845 F849 L869C845-L874 HydrophobicContact CB-CD2 4.42Å; F849-L874 HydrophobicContact CB-CD2 4.09Å; F849-L874 HydrophobicContact CD1-CB 4.05Å; F849-L874 HydrophobicContact CD2-CB 3.87Å; F849-L874 HydrophobicContact CD2-CD1 4.32Å; F849-L874 HydrophobicContact CD2-CD2 4.28Å; F849-L874 HydrophobicContact CD2-CG 4.38Å; F849-L874 VanDerWaalsContact CE1-C 3.42Å; F849-L874 HydrophobicContact CE1-CB 4.09Å; F849-L874 VanDerWaalsContact CE1-O 3.25Å; F849-L874 WeakPolarHBondContact CE1-O 3.35Å; F849-L874 HydrophobicContact CE2-CB 3.92Å; F849-L874 HydrophobicContact CG-CB 3.94Å; F849-L874 HydrophobicContact CG-CD2 4.15Å; F849-L874 HydrophobicContact CG-CG 4.49Å; F849-L874 HydrophobicContact CZ-CB 4.03Å; F849-L874 WeakPolarHBondContact CZ-O 3.44Å; L869-L874 CarbonylContact C-O 3.56Å; L869-L874 HydrophobicContact CD1-CB 4.03Å; L869-L874 HydrophobicContact CD1-CD1 3.79Å; L869-L874 HydrophobicContact CG-CB 4.11Å; L869-L874 WeakPolarHBondContact O-CB 3.44Å; L869-L874 PolarHBondContact O-N 3.02Å; L869-L874 VanDerWaalsContact O-N 3.1Å
875E83.7Confident82.5Confident39.5 Ų39.564.7 Ų64.719%0.18535%0.348CS..  trans-129.5157.8171.364.9-172.3163.700109.8Q850 K870 F877 R885Q850-E875 PolarHBondContact NE2-O 3.03Å; K870-E875 WeakPolarHBondContact CE-OE2 3.37Å; K870-E875 HydrophobicContact CG-CB 4.47Å; K870-E875 IonicContact NZ-OE2 2.88Å; K870-E875 PolarHBondContact NZ-OE2 3.2Å; E875-F877 HydrophobicContact CG-CD1 4.25Å; E875-F877 HydrophobicContact CG-CD2 4.47Å; E875-F877 HydrophobicContact CG-CE1 3.54Å; E875-F877 VanDerWaalsContact CG-CE1 3.46Å; E875-F877 HydrophobicContact CG-CE2 3.83Å; E875-F877 HydrophobicContact CG-CZ 3.29Å; E875-F877 VanDerWaalsContact O-CD2 3.29Å; E875-F877 WeakPolarHBondContact O-CD2 3.38Å; E875-F877 WeakPolarHBondContact O-CE2 3.35Å; E875-F877 VanDerWaalsContact OE1-CE1 3.26Å; E875-F877 WeakPolarHBondContact OE1-CE1 3.28Å; E875-F877 WeakPolarHBondContact OE1-CZ 3.39Å; E875-R885 IonicContact OE1-NH1 3.35Å; E875-R885 IonicContact OE1-NH2 2.78Å
876T83.7Confident82.4Confident92.25 Ų92.2563.3 Ų63.357%0.56634%0.336SS*.  trans-81136.1173.542.80000109.8F849 P855F849-T876 HydrophobicContact CD1-CG2 4.49Å; P855-T876 HydrophobicContact CG-CG2 4.33Å
877F82.6Confident82.4Confident38 Ų3863.3 Ų63.317%0.16733%0.331CS..  trans-122.3143.2-174.3-66.8-72.3000111.6I846 E875 A881 L882 R885I846-F877 HydrophobicContact CG2-CE2 4.46Å; E875-F877 HydrophobicContact CG-CD1 4.25Å; E875-F877 HydrophobicContact CG-CD2 4.47Å; E875-F877 HydrophobicContact CG-CE1 3.54Å; E875-F877 VanDerWaalsContact CG-CE1 3.46Å; E875-F877 HydrophobicContact CG-CE2 3.83Å; E875-F877 HydrophobicContact CG-CZ 3.29Å; E875-F877 VanDerWaalsContact O-CD2 3.29Å; E875-F877 WeakPolarHBondContact O-CD2 3.38Å; E875-F877 WeakPolarHBondContact O-CE2 3.35Å; E875-F877 VanDerWaalsContact OE1-CE1 3.26Å; E875-F877 WeakPolarHBondContact OE1-CE1 3.28Å; E875-F877 WeakPolarHBondContact OE1-CZ 3.39Å; F877-A881 HydrophobicContact CB-CB 4.38Å; F877-A881 HydrophobicContact CD1-CB 4.17Å; F877-L882 HydrophobicContact CB-CB 3.87Å; F877-L882 HydrophobicContact CB-CD1 4.33Å; F877-L882 HydrophobicContact CD2-CD1 4.14Å; F877-R885 HydrophobicContact CD1-CG 4.36Å; F877-R885 HydrophobicContact CE1-CG 3.96Å; F877-R885 HydrophobicContact CE2-CG 4.32Å; F877-R885 HydrophobicContact CZ-CG 3.94Å
878E79.6Confident82.3Confident163.5 Ų163.559 Ų5976%0.76431%0.314SS*.  trans-62149.4161.1-64-179.8179.100110.7A880 A881 L882E878-A880 PolarHBondContact O-N 3.07Å; E878-A881 PolarHBondContact O-N 3.09Å; E878-L882 WeakPolarHBondContact O-CB 3.37Å; E878-L882 PolarHBondContact O-N 3.17Å
879S75Confident82.1Confident88 Ų8856.4 Ų56.462%0.61530%0.301SS*.Hα-helixtrans-55.5-32.9-170.4-48.60000114.6F883S879-F883 WeakPolarHBondContact O-CB 3.38Å; S879-F883 PolarHBondContact O-N 3.18Å
880A78.8Confident82.1Confident79.5 Ų79.557.8 Ų57.866%0.65731%0.31SS*.Hα-helixtrans-70.2-46.8176.200000112.3E878 L882 F883 E884E878-A880 PolarHBondContact O-N 3.07Å; A880-L882 VanDerWaalsContact C-N 3.35Å; A880-F883 PolarHBondContact O-N 3.09Å; A880-E884 PolarHBondContact O-N 3.03Å; A880-E884 VanDerWaalsContact O-N 3.15Å
881A81.3Confident82.1Confident36.5 Ų36.556.6 Ų56.630%0.30231%0.311SS..Hα-helixtrans-65.4-40175.300000111.3F877 E878 F883 E884 R885F877-A881 HydrophobicContact CB-CB 4.38Å; F877-A881 HydrophobicContact CD1-CB 4.17Å; E878-A881 PolarHBondContact O-N 3.09Å; A881-F883 VanDerWaalsContact C-N 3.31Å; A881-F883 PolarHBondContact O-N 3.35Å; A881-E884 PolarHBondContact O-N 3.11Å; A881-R885 WeakPolarHBondContact O-CB 3.4Å; A881-R885 VanDerWaalsContact O-CG 3.29Å; A881-R885 WeakPolarHBondContact O-CG 3.24Å; A881-R885 PolarHBondContact O-N 2.98Å
882L81.4Confident82.3Confident11.75 Ų11.7556.5 Ų56.56%0.06231%0.31CS..Hα-helixtrans-57.9-43.7174.3-175.562.9000111.3I846 Q850 F877 E878 A880 R885 L886I846-L882 HydrophobicContact CG2-CD1 4.35Å; Q850-L882 HydrophobicContact CG-CD1 3.83Å; Q850-L882 HydrophobicContact CG-CD2 4.07Å; F877-L882 HydrophobicContact CB-CB 3.87Å; F877-L882 HydrophobicContact CB-CD1 4.33Å; F877-L882 HydrophobicContact CD2-CD1 4.14Å; E878-L882 WeakPolarHBondContact O-CB 3.37Å; E878-L882 PolarHBondContact O-N 3.17Å; A880-L882 VanDerWaalsContact C-N 3.35Å; L882-R885 PolarHBondContact O-N 3.05Å; L882-L886 HydrophobicContact CD1-CD1 3.87Å; L882-L886 HydrophobicContact CD1-CG 4.14Å; L882-L886 HydrophobicContact CG-CD1 3.88Å; L882-L886 HydrophobicContact CG-CG 4.46Å; L882-L886 WeakPolarHBondContact O-CB 3.37Å; L882-L886 VanDerWaalsContact O-CG 3.29Å; L882-L886 WeakPolarHBondContact O-CG 3.33Å; L882-L886 PolarHBondContact O-N 3.11Å
883F81.3Confident82.5Confident106.75 Ų106.7552.6 Ų52.647%0.46829%0.293SS..Hα-helixtrans-61.8-46.9176.4-177.6-95.7000112.1V573 S879 A880 A881 R885 L886 L887V573-F883 HydrophobicContact CB-CD2 4.49Å; V573-F883 HydrophobicContact CG1-CB 4.07Å; V573-F883 HydrophobicContact CG1-CD2 3.89Å; V573-F883 HydrophobicContact CG1-CG 4.47Å; S879-F883 WeakPolarHBondContact O-CB 3.38Å; S879-F883 PolarHBondContact O-N 3.18Å; A880-F883 PolarHBondContact O-N 3.09Å; A881-F883 VanDerWaalsContact C-N 3.31Å; A881-F883 PolarHBondContact O-N 3.35Å; F883-R885 PolarHBondContact O-N 3.06Å; F883-L886 PolarHBondContact O-N 3.16Å; F883-L887 HydrophobicContact CE1-CD2 4.07Å; F883-L887 HydrophobicContact CZ-CD1 4.42Å; F883-L887 HydrophobicContact CZ-CD2 4.32Å; F883-L887 WeakPolarHBondContact O-CB 3.35Å; F883-L887 PolarHBondContact O-N 3.11Å
884E81Confident82.7Confident112 Ų11254.5 Ų54.552%0.52330%0.303SS..Hα-helixtrans-60.3-45.8176.1-167.4-154.1132.300111.9A880 A881 L886 L887 T888A880-E884 PolarHBondContact O-N 3.03Å; A880-E884 VanDerWaalsContact O-N 3.15Å; A881-E884 PolarHBondContact O-N 3.11Å; E884-L886 PolarHBondContact O-N 3.24Å; E884-L887 PolarHBondContact O-N 3.34Å; E884-T888 PolarHBondContact O-N 2.6Å
885R80.3Confident83Confident50.5 Ų50.554.3 Ų54.319%0.19130%0.303CS..Hα-helixtrans-65.5-34.9-179.1-67.9-70.4-178.6-115.54.5112.7Q797 P798 E875 F877 A881 L882 F883 P889Q797-R885 PolarHBondContact O-NH1 3.18Å; P798-R885 VanDerWaalsContact CD-NH2 3.33Å; E875-R885 IonicContact OE1-NH1 3.35Å; E875-R885 IonicContact OE1-NH2 2.78Å; F877-R885 HydrophobicContact CD1-CG 4.36Å; F877-R885 HydrophobicContact CE1-CG 3.96Å; F877-R885 HydrophobicContact CE2-CG 4.32Å; F877-R885 HydrophobicContact CZ-CG 3.94Å; A881-R885 WeakPolarHBondContact O-CB 3.4Å; A881-R885 VanDerWaalsContact O-CG 3.29Å; A881-R885 WeakPolarHBondContact O-CG 3.24Å; A881-R885 PolarHBondContact O-N 2.98Å; L882-R885 PolarHBondContact O-N 3.05Å; F883-R885 PolarHBondContact O-N 3.06Å; R885-P889 WeakPolarHBondContact O-CD 3.42Å
886L82.5Confident83.3Confident13.75 Ų13.7552.4 Ų52.47%0.07229%0.294CS..Hα-helixtrans-82.7-33.6175.9-69.9176000113V573 L843 I846 L882 F883 E884 T888 P889 V890V573-L886 HydrophobicContact CG1-CD1 4.14Å; V573-L886 HydrophobicContact CG2-CD1 3.71Å; L843-L886 HydrophobicContact CD2-CD2 3.74Å; L843-L886 HydrophobicContact CG-CD2 4.43Å; I846-L886 HydrophobicContact CB-CD2 4.21Å; I846-L886 HydrophobicContact CG2-CD2 3.78Å; I846-L886 HydrophobicContact CG2-CG 4.45Å; L882-L886 HydrophobicContact CD1-CD1 3.87Å; L882-L886 HydrophobicContact CD1-CG 4.14Å; L882-L886 HydrophobicContact CG-CD1 3.88Å; L882-L886 HydrophobicContact CG-CG 4.46Å; L882-L886 WeakPolarHBondContact O-CB 3.37Å; L882-L886 VanDerWaalsContact O-CG 3.29Å; L882-L886 WeakPolarHBondContact O-CG 3.33Å; L882-L886 PolarHBondContact O-N 3.11Å; F883-L886 PolarHBondContact O-N 3.16Å; E884-L886 PolarHBondContact O-N 3.24Å; L886-T888 VanDerWaalsContact C-N 3.3Å; L886-T888 PolarHBondContact O-N 2.76Å; L886-P889 WeakPolarHBondContact O-CD 3.43Å; L886-V890 WeakPolarHBondContact O-CB 3.26Å; L886-V890 VanDerWaalsContact O-CG2 3.25Å; L886-V890 WeakPolarHBondContact O-CG2 3.38Å; L886-V890 PolarHBondContact O-N 3Å; L886-V890 VanDerWaalsContact O-N 3.07Å
887L83.2Confident83.6Confident79.25 Ų79.2549.3 Ų49.342%0.41527%0.274SS..Hα-helixtrans-59-40.4-179.1-179.764.7000111.9F883 E884 V890 V891F883-L887 HydrophobicContact CE1-CD2 4.07Å; F883-L887 HydrophobicContact CZ-CD1 4.42Å; F883-L887 HydrophobicContact CZ-CD2 4.32Å; F883-L887 WeakPolarHBondContact O-CB 3.35Å; F883-L887 PolarHBondContact O-N 3.11Å; E884-L887 PolarHBondContact O-N 3.34Å; L887-V890 PolarHBondContact O-N 3.23Å; L887-V891 HydrophobicContact CD1-CG2 3.86Å; L887-V891 HydrophobicContact CG-CG2 4.23Å; L887-V891 WeakPolarHBondContact O-CB 3.3Å; L887-V891 VanDerWaalsContact O-CG2 3.32Å; L887-V891 WeakPolarHBondContact O-CG2 3.37Å; L887-V891 PolarHBondContact O-N 3.23Å
888T81.3Confident83.8Confident29 Ų2949.9 Ų49.918%0.17828%0.279CS..Hα-helixtrans-61.9-56.3180-71.80000112.6V793 Q796 E884 L886 V890 V891 F892V793-T888 HydrophobicContact CB-CG2 4.47Å; V793-T888 HydrophobicContact CG1-CG2 4.48Å; V793-T888 HydrophobicContact CG2-CG2 3.74Å; Q796-T888 PolarHBondContact NE2-OG1 2.93Å; E884-T888 PolarHBondContact O-N 2.6Å; L886-T888 VanDerWaalsContact C-N 3.3Å; L886-T888 PolarHBondContact O-N 2.76Å; T888-V890 VanDerWaalsContact C-N 3.29Å; T888-V890 PolarHBondContact O-N 3.13Å; T888-V891 PolarHBondContact O-N 3.25Å; T888-F892 WeakPolarHBondContact O-CB 3.35Å; T888-F892 PolarHBondContact O-N 3.1Å
889P82Confident84.3Confident7 Ų742.2 Ų42.25%0.04524%0.243CC..Hα-helixtrans-58.1-35.5173.8-26.734.9000114L843 R885 L886 L893L843-P889 HydrophobicContact CD2-CB 4.05Å; L843-P889 HydrophobicContact CG-CB 4.22Å; R885-P889 WeakPolarHBondContact O-CD 3.42Å; L886-P889 WeakPolarHBondContact O-CD 3.43Å; P889-L893 WeakPolarHBondContact O-CB 3.42Å; P889-L893 PolarHBondContact O-N 3.2Å
890V84.6Confident85Confident38 Ų3839 Ų3923%0.2322%0.22CC..Hα-helixtrans-65.7-48.5177.4169.50000111.6M569 L843 L886 L887 T888 F892 L893 V894M569-V890 HydrophobicContact CE-CB 4.29Å; M569-V890 HydrophobicContact CE-CG1 3.71Å; M569-V890 HydrophobicContact CE-CG2 3.58Å; M569-V890 HydrophobicContact SD-CG1 4.24Å; L843-V890 HydrophobicContact CD1-CG2 3.6Å; L843-V890 VanDerWaalsContact CD1-CG2 3.49Å; L843-V890 HydrophobicContact CD2-CG2 3.91Å; L886-V890 WeakPolarHBondContact O-CB 3.26Å; L886-V890 VanDerWaalsContact O-CG2 3.25Å; L886-V890 WeakPolarHBondContact O-CG2 3.38Å; L886-V890 PolarHBondContact O-N 3Å; L886-V890 VanDerWaalsContact O-N 3.07Å; L887-V890 PolarHBondContact O-N 3.23Å; T888-V890 VanDerWaalsContact C-N 3.29Å; T888-V890 PolarHBondContact O-N 3.13Å; V890-F892 VanDerWaalsContact C-N 3.33Å; V890-F892 PolarHBondContact O-N 3.22Å; V890-L893 PolarHBondContact O-N 3.22Å; V890-V894 WeakPolarHBondContact O-CG2 3.32Å; V890-V894 PolarHBondContact O-N 3.33Å
891V86.3Confident85.4Confident80.75 Ų80.7538.8 Ų38.849%0.48921%0.205SC..Hα-helixtrans-63-42.3177.6170.60000110.8L887 T888 L893 V894 V895L887-V891 HydrophobicContact CD1-CG2 3.86Å; L887-V891 HydrophobicContact CG-CG2 4.23Å; L887-V891 WeakPolarHBondContact O-CB 3.3Å; L887-V891 VanDerWaalsContact O-CG2 3.32Å; L887-V891 WeakPolarHBondContact O-CG2 3.37Å; L887-V891 PolarHBondContact O-N 3.23Å; T888-V891 PolarHBondContact O-N 3.25Å; V891-L893 PolarHBondContact O-N 3.09Å; V891-V894 PolarHBondContact O-N 3.13Å; V891-V895 WeakPolarHBondContact O-CG2 3.38Å; V891-V895 PolarHBondContact O-N 3.27Å; V891-V895 VanDerWaalsContact O-N 3.1Å
892F88.1Confident85.5Confident4 Ų443 Ų432%0.01821%0.214CC..Hα-helixtrans-58.9-49.4174.3175-114.2000112S789 M790 V793 Y806 I835 T888 V890 V894 V895 I896S789-F892 WeakPolarHBondContact OG-CD2 3.37Å; M790-F892 HydrophobicContact CB-CE2 3.72Å; M790-F892 HydrophobicContact CB-CZ 4.02Å; M790-F892 HydrophobicContact CG-CE2 4.31Å; M790-F892 HydrophobicContact CG-CZ 4.11Å; M790-F892 HydrophobicContact SD-CZ 4.27Å; V793-F892 HydrophobicContact CG2-CB 3.92Å; V793-F892 HydrophobicContact CG2-CD2 4.12Å; V793-F892 HydrophobicContact CG2-CG 3.95Å; Y806-F892 HydrophobicContact CD1-CE1 4.1Å; Y806-F892 HydrophobicContact CE1-CD1 4.2Å; Y806-F892 AromaticContact CE1-CE1 3.6Å; Y806-F892 HydrophobicContact CE1-CE1 3.6Å; Y806-F892 HydrophobicContact CE1-CZ 4.41Å; I835-F892 HydrophobicContact CG2-CE1 3.59Å; I835-F892 HydrophobicContact CG2-CZ 3.74Å; T888-F892 WeakPolarHBondContact O-CB 3.35Å; T888-F892 PolarHBondContact O-N 3.1Å; V890-F892 VanDerWaalsContact C-N 3.33Å; V890-F892 PolarHBondContact O-N 3.22Å; F892-V894 VanDerWaalsContact C-N 3.32Å; F892-V894 PolarHBondContact O-N 3.34Å; F892-V895 WeakPolarHBondContact O-CB 3.34Å; F892-V895 PolarHBondContact O-N 3.09Å; F892-V895 VanDerWaalsContact O-N 3.1Å; F892-I896 HydrophobicContact CD2-CD1 4.46Å; F892-I896 HydrophobicContact CD2-CG1 4.23Å; F892-I896 HydrophobicContact CE1-CG1 4.21Å; F892-I896 HydrophobicContact CE2-CD1 3.79Å; F892-I896 HydrophobicContact CE2-CG1 3.77Å; F892-I896 HydrophobicContact CZ-CD1 4.09Å; F892-I896 HydrophobicContact CZ-CG1 3.77Å; F892-I896 WeakPolarHBondContact O-CG1 3.3Å; F892-I896 PolarHBondContact O-N 3.24Å
893L88.1Confident85.9Confident4.25 Ų4.2543.5 Ų43.52%0.02222%0.215CC..Hα-helixtrans-57.6-42.2177.7175.8145.6000112.1V836 M840 P889 V890 V891 V895 I896 I897V836-L893 HydrophobicContact CG1-CD1 4.37Å; M840-L893 HydrophobicContact CE-CD1 3.65Å; M840-L893 HydrophobicContact CE-CD2 3.77Å; M840-L893 HydrophobicContact CE-CG 4.3Å; M840-L893 HydrophobicContact CG-CD1 3.66Å; M840-L893 VanDerWaalsContact CG-CD1 3.45Å; M840-L893 HydrophobicContact SD-CD1 4.08Å; M840-L893 WeakPolarHBondContact SD-CD1 3.32Å; P889-L893 WeakPolarHBondContact O-CB 3.42Å; P889-L893 PolarHBondContact O-N 3.2Å; V890-L893 PolarHBondContact O-N 3.22Å; V891-L893 PolarHBondContact O-N 3.09Å; L893-V895 PolarHBondContact O-N 3.06Å; L893-I896 PolarHBondContact O-N 3.13Å; L893-I897 HydrophobicContact CD2-CD1 3.57Å; L893-I897 HydrophobicContact CD2-CG1 4.38Å; L893-I897 HydrophobicContact CG-CD1 4.03Å; L893-I897 WeakPolarHBondContact O-CB 3.41Å; L893-I897 VanDerWaalsContact O-CG1 3.31Å; L893-I897 WeakPolarHBondContact O-CG1 3.31Å; L893-I897 PolarHBondContact O-N 3.12Å
894V87Confident86.2Confident43 Ų4338.8 Ų38.826%0.26120%0.195SC..Hα-helixtrans-62.6-42.9175.2171.80000111.4W591 V890 V891 F892 I896 I897 L898W591-V894 HydrophobicContact CD2-CG2 4.33Å; W591-V894 HydrophobicContact CE3-CG2 4.38Å; W591-V894 HydrophobicContact CH2-CG1 3.92Å; W591-V894 HydrophobicContact CH2-CG2 3.83Å; W591-V894 HydrophobicContact CZ2-CG2 3.76Å; W591-V894 HydrophobicContact CZ3-CG1 4.04Å; W591-V894 HydrophobicContact CZ3-CG2 4.15Å; V890-V894 WeakPolarHBondContact O-CG2 3.32Å; V890-V894 PolarHBondContact O-N 3.33Å; V891-V894 PolarHBondContact O-N 3.13Å; F892-V894 VanDerWaalsContact C-N 3.32Å; F892-V894 PolarHBondContact O-N 3.34Å; V894-I896 VanDerWaalsContact C-N 3.33Å; V894-I896 PolarHBondContact O-N 3.37Å; V894-I897 PolarHBondContact O-N 3.17Å; V894-L898 HydrophobicContact CG1-CD1 4.1Å; V894-L898 HydrophobicContact CG1-CG 4.46Å; V894-L898 WeakPolarHBondContact O-CB 3.41Å; V894-L898 VanDerWaalsContact O-CG 3.3Å; V894-L898 WeakPolarHBondContact O-CG 3.42Å; V894-L898 PolarHBondContact O-N 3.25Å
895V90.6Very high86.6Confident22.75 Ų22.7538.7 Ų38.714%0.13820%0.197CC..Hα-helixtrans-62-38.7177169.90000112.2W782 V785 V891 F892 L893 Q899W782-V895 HydrophobicContact CZ2-CG1 4.27Å; W782-V895 HydrophobicContact CZ2-CG2 4.49Å; W782-V895 PolarHBondContact NE1-O 3.04Å; V785-V895 HydrophobicContact CG1-CG1 4.23Å; V891-V895 WeakPolarHBondContact O-CG2 3.38Å; V891-V895 PolarHBondContact O-N 3.27Å; V891-V895 VanDerWaalsContact O-N 3.1Å; F892-V895 WeakPolarHBondContact O-CB 3.34Å; F892-V895 PolarHBondContact O-N 3.09Å; F892-V895 VanDerWaalsContact O-N 3.1Å; L893-V895 PolarHBondContact O-N 3.06Å; V895-Q899 PolarHBondContact O-N 3.22Å; V895-Q899 VanDerWaalsContact O-N 3.12Å
896I91.3Very high86.9Confident0.25 Ų0.2538.2 Ų38.20%0.00120%0.2CC..Hα-helixtrans-72.9-39.4176.5-58.3-47.4000112C786 W832 I835 V836 F892 L893 V894 L898 Q899 V900C786-I896 HydrophobicContact CB-CD1 3.66Å; W832-I896 HydrophobicContact CB-CG2 4.18Å; W832-I896 HydrophobicContact CD2-CG2 4.35Å; W832-I896 HydrophobicContact CE3-CD1 3.86Å; W832-I896 HydrophobicContact CE3-CG1 4.34Å; W832-I896 HydrophobicContact CE3-CG2 3.78Å; W832-I896 HydrophobicContact CG-CG2 4.5Å; W832-I896 HydrophobicContact CH2-CD1 4.34Å; W832-I896 HydrophobicContact CZ3-CD1 3.6Å; W832-I896 HydrophobicContact CZ3-CG1 4.4Å; I835-I896 HydrophobicContact CG2-CG1 4.09Å; I835-I896 HydrophobicContact CG2-CG2 4.24Å; V836-I896 HydrophobicContact CG2-CB 4.42Å; V836-I896 HydrophobicContact CG2-CG2 3.79Å; F892-I896 HydrophobicContact CD2-CD1 4.46Å; F892-I896 HydrophobicContact CD2-CG1 4.23Å; F892-I896 HydrophobicContact CE1-CG1 4.21Å; F892-I896 HydrophobicContact CE2-CD1 3.79Å; F892-I896 HydrophobicContact CE2-CG1 3.77Å; F892-I896 HydrophobicContact CZ-CD1 4.09Å; F892-I896 HydrophobicContact CZ-CG1 3.77Å; F892-I896 WeakPolarHBondContact O-CG1 3.3Å; F892-I896 PolarHBondContact O-N 3.24Å; L893-I896 PolarHBondContact O-N 3.13Å; V894-I896 VanDerWaalsContact C-N 3.33Å; V894-I896 PolarHBondContact O-N 3.37Å; I896-L898 VanDerWaalsContact C-N 3.33Å; I896-L898 PolarHBondContact O-N 3.26Å; I896-Q899 WeakPolarHBondContact O-CB 3.43Å; I896-Q899 PolarHBondContact O-N 3.02Å; I896-Q899 VanDerWaalsContact O-N 3.16Å; I896-V900 HydrophobicContact CG2-CG2 4.48Å; I896-V900 WeakPolarHBondContact O-CG2 3.39Å; I896-V900 PolarHBondContact O-N 3.28Å
897I88.5Confident87.2Confident25.75 Ų25.7538.6 Ų38.613%0.13220%0.202CC..Hα-helixtrans-65-37.9176.5-72.2178.2000111.2W591 V836 M840 L893 V894 Q899 V900 H901W591-I897 HydrophobicContact CB-CD1 3.85Å; W591-I897 HydrophobicContact CE3-CG2 4.37Å; W591-I897 WeakPolarHBondContact O-CG2 3.49Å; V836-I897 HydrophobicContact CG1-CD1 4.27Å; V836-I897 HydrophobicContact CG1-CG1 4.36Å; V836-I897 HydrophobicContact CG2-CG1 4.02Å; M840-I897 HydrophobicContact CE-CD1 4.45Å; L893-I897 HydrophobicContact CD2-CD1 3.57Å; L893-I897 HydrophobicContact CD2-CG1 4.38Å; L893-I897 HydrophobicContact CG-CD1 4.03Å; L893-I897 WeakPolarHBondContact O-CB 3.41Å; L893-I897 VanDerWaalsContact O-CG1 3.31Å; L893-I897 WeakPolarHBondContact O-CG1 3.31Å; L893-I897 PolarHBondContact O-N 3.12Å; V894-I897 PolarHBondContact O-N 3.17Å; I897-Q899 VanDerWaalsContact C-N 3.33Å; I897-Q899 PolarHBondContact O-N 3.37Å; I897-V900 PolarHBondContact O-N 3.1Å; I897-H901 VanDerWaalsContact O-CB 3.31Å; I897-H901 WeakPolarHBondContact O-CB 3.11Å; I897-H901 PolarHBondContact O-CD2 3.41Å; I897-H901 VanDerWaalsContact O-CD2 3.26Å; I897-H901 PolarHBondContact O-N 3.13Å
898L87.7Confident87.4Confident52.5 Ų52.536.7 Ų36.728%0.27519%0.191SC..Hα-helixtrans-61.4-41.2172-71.8171000112.4W782 V894 I896 Y902W782-L898 HydrophobicContact CH2-CD1 4.1Å; W782-L898 HydrophobicContact CZ2-CB 3.91Å; W782-L898 HydrophobicContact CZ2-CD1 3.72Å; W782-L898 HydrophobicContact CZ2-CG 4.47Å; V894-L898 HydrophobicContact CG1-CD1 4.1Å; V894-L898 HydrophobicContact CG1-CG 4.46Å; V894-L898 WeakPolarHBondContact O-CB 3.41Å; V894-L898 VanDerWaalsContact O-CG 3.3Å; V894-L898 WeakPolarHBondContact O-CG 3.42Å; V894-L898 PolarHBondContact O-N 3.25Å; I896-L898 VanDerWaalsContact C-N 3.33Å; I896-L898 PolarHBondContact O-N 3.26Å; L898-Y902 HydrophobicContact CD2-CD2 3.81Å; L898-Y902 HydrophobicContact CD2-CE2 3.79Å; L898-Y902 PolarHBondContact O-N 3.15Å; L898-Y902 VanDerWaalsContact O-N 3.11Å
899Q90.9Very high87.6Confident1.5 Ų1.542.6 Ų42.61%0.00721%0.214CC..Iπ-helixtrans-59.7-49.1173.417563.9-3.500111.6W782 C786 M828 W832 V895 I896 I897 F903 H904W782-Q899 VanDerWaalsContact CD1-OE1 3.31Å; C786-Q899 VanDerWaalsContact SG-CB 3.56Å; M828-Q899 VanDerWaalsContact CE-NE2 3.28Å; W832-Q899 HydrophobicContact CD2-CG 4.47Å; V895-Q899 PolarHBondContact O-N 3.22Å; V895-Q899 VanDerWaalsContact O-N 3.12Å; I896-Q899 WeakPolarHBondContact O-CB 3.43Å; I896-Q899 PolarHBondContact O-N 3.02Å; I896-Q899 VanDerWaalsContact O-N 3.16Å; I897-Q899 VanDerWaalsContact C-N 3.33Å; I897-Q899 PolarHBondContact O-N 3.37Å; Q899-F903 PolarHBondContact O-N 3.2Å; Q899-H904 VanDerWaalsContact O-CB 3.26Å; Q899-H904 WeakPolarHBondContact O-CB 3.45Å; Q899-H904 PolarHBondContact O-N 3.16Å
900V89.3Confident87.6Confident21 Ų2143.7 Ų43.713%0.12722%0.224CC..Iπ-helixtrans-64.6-45.5-177.4172.90000112.1L829 W832 W833 I896 I897L829-V900 HydrophobicContact CD1-CG1 4.46Å; W832-V900 HydrophobicContact CB-CG2 3.46Å; W832-V900 VanDerWaalsContact CB-CG2 3.44Å; W832-V900 HydrophobicContact CG-CG2 4.13Å; W833-V900 HydrophobicContact CZ2-CG1 4.02Å; I896-V900 HydrophobicContact CG2-CG2 4.48Å; I896-V900 WeakPolarHBondContact O-CG2 3.39Å; I896-V900 PolarHBondContact O-N 3.28Å; I897-V900 PolarHBondContact O-N 3.1Å
901H85.8Confident87.5Confident73.75 Ų73.7542.2 Ų42.234%0.34122%0.216SC..Iπ-helixtrans-81.1-41.8-172.8-89.6-75.6000114.2I592 I897I592-H901 PolarHBondContact O-CE1 2.9Å; I592-H901 VanDerWaalsContact O-CE1 3.26Å; I592-H901 PolarHBondContact O-NE2 3.11Å; I897-H901 VanDerWaalsContact O-CB 3.31Å; I897-H901 WeakPolarHBondContact O-CB 3.11Å; I897-H901 PolarHBondContact O-CD2 3.41Å; I897-H901 VanDerWaalsContact O-CD2 3.26Å; I897-H901 PolarHBondContact O-N 3.13Å
902Y85.2Confident87.2Confident124.5 Ų124.539.7 Ų39.749%0.48820%0.201SC..Iπ-helixtrans-104.3-45-170.9-63.2-75.7000113.2L898 P906L898-Y902 HydrophobicContact CD2-CD2 3.81Å; L898-Y902 HydrophobicContact CD2-CE2 3.79Å; L898-Y902 PolarHBondContact O-N 3.15Å; L898-Y902 VanDerWaalsContact O-N 3.11Å; Y902-P906 WeakPolarHBondContact O-CD 3.41Å; Y902-P906 WeakPolarHBondContact O-CG 3.45Å
903F88.9Confident86.4Confident23.25 Ų23.2542 Ų4210%0.10221%0.214CC..Iπ-helixtrans-99.8-23.2-165.5-54.2-52.3000114.4C778 V779 W782 Q899 I905 P906 F907C778-F903 HydrophobicContact CB-CD1 4.06Å; C778-F903 HydrophobicContact CB-CE1 3.47Å; C778-F903 VanDerWaalsContact CB-CE1 3.47Å; C778-F903 HydrophobicContact CB-CE2 4.29Å; C778-F903 HydrophobicContact CB-CZ 3.61Å; V779-F903 HydrophobicContact CG2-CD1 3.91Å; W782-F903 HydrophobicContact CB-CB 4.45Å; W782-F903 HydrophobicContact CB-CD2 3.79Å; W782-F903 HydrophobicContact CB-CE2 4.34Å; W782-F903 HydrophobicContact CB-CG 4.24Å; W782-F903 AromaticContact CD1-CD2 3.68Å; W782-F903 AromaticContact CD2-CD2 3.69Å; W782-F903 HydrophobicContact CD2-CD2 3.69Å; W782-F903 AromaticContact CD2-CE2 3.48Å; W782-F903 HydrophobicContact CD2-CE2 3.48Å; W782-F903 VanDerWaalsContact CD2-CE2 3.47Å; W782-F903 HydrophobicContact CD2-CZ 4.46Å; W782-F903 AromaticContact CE2-CE2 3.83Å; W782-F903 HydrophobicContact CE3-CD2 4.31Å; W782-F903 AromaticContact CE3-CE2 3.72Å; W782-F903 HydrophobicContact CE3-CE2 3.72Å; W782-F903 HydrophobicContact CE3-CZ 4.37Å; W782-F903 AromaticContact CG-CD2 3.42Å; W782-F903 HydrophobicContact CG-CD2 3.42Å; W782-F903 VanDerWaalsContact CG-CD2 3.42Å; W782-F903 AromaticContact CG-CE2 3.78Å; W782-F903 HydrophobicContact CG-CE2 3.78Å; W782-F903 HydrophobicContact CG-CG 4.32Å; W782-F903 HydrophobicContact CZ2-CE2 4.35Å; W782-F903 HydrophobicContact CZ3-CE2 4.25Å; W782-F903 AromaticContact NE1-CD2 3.99Å; Q899-F903 PolarHBondContact O-N 3.2Å; F903-I905 PolarHBondContact O-N 3.07Å; F903-P906 WeakPolarHBondContact O-CD 3.35Å; F903-F907 WeakPolarHBondContact O-CB 3.37Å; F903-F907 PolarHBondContact O-N 3.22Å
904H88.5Confident85.6Confident7.75 Ų7.7545.7 Ų45.74%0.03623%0.234CC..Hα-helixtrans-59.3-50.3-173.8178.865.6000114.2Q899 F907 L908Q899-H904 VanDerWaalsContact O-CB 3.26Å; Q899-H904 WeakPolarHBondContact O-CB 3.45Å; Q899-H904 PolarHBondContact O-N 3.16Å; H904-F907 PolarHBondContact O-N 3.22Å; H904-L908 VanDerWaalsContact CE1-CD1 3.49Å; H904-L908 WeakPolarHBondContact CE1-CD1 3.06Å; H904-L908 VanDerWaalsContact NE2-CD1 3.32Å; H904-L908 WeakPolarHBondContact NE2-CD1 3.31Å; H904-L908 WeakPolarHBondContact O-CB 3.31Å; H904-L908 WeakPolarHBondContact O-CG 3.37Å; H904-L908 PolarHBondContact O-N 3.13Å
905I88.1Confident84.8Confident110.25 Ų110.2549.9 Ų49.957%0.56525%0.245SC*.Hα-helixtrans-68.8-46.7-178.8-61.8173000111.6F903 F907 L908 K909F903-I905 PolarHBondContact O-N 3.07Å; I905-F907 VanDerWaalsContact C-N 3.31Å; I905-F907 PolarHBondContact O-N 3.34Å; I905-L908 PolarHBondContact O-N 3.28Å; I905-K909 PolarHBondContact O-N 3.14Å; I905-K909 VanDerWaalsContact O-N 3.12Å
906P87.5Confident83.6Confident40.25 Ų40.2551.9 Ų51.926%0.26125%0.252SS..Hα-helixtrans-56.3-41.2170.3-28.537000113.5V779 Y902 F903 K909 A910V779-P906 HydrophobicContact CB-CB 4.22Å; V779-P906 HydrophobicContact CG1-CB 3.51Å; V779-P906 HydrophobicContact CG2-CB 3.57Å; V779-P906 HydrophobicContact CG2-CG 4.19Å; Y902-P906 WeakPolarHBondContact O-CD 3.41Å; Y902-P906 WeakPolarHBondContact O-CG 3.45Å; F903-P906 WeakPolarHBondContact O-CD 3.35Å; P906-K909 WeakPolarHBondContact O-CB 3.3Å; P906-K909 PolarHBondContact O-N 3.12Å; P906-A910 WeakPolarHBondContact O-CB 3.29Å; P906-A910 PolarHBondContact O-N 3.35Å
907F88.7Confident82Confident22.5 Ų22.555.2 Ų55.210%0.09927%0.267CS..Hα-helixtrans-63.4-45.1176.5179.6-91.6000111.8V779 I783 W824 M828 F903 H904 I905 K909 A910 S911V779-F907 WeakPolarHBondContact O-CD2 3.42Å; I783-F907 HydrophobicContact CB-CE2 4.3Å; I783-F907 HydrophobicContact CB-CZ 4.49Å; I783-F907 HydrophobicContact CD1-CD1 4.36Å; I783-F907 HydrophobicContact CD1-CE1 3.73Å; I783-F907 HydrophobicContact CD1-CE2 4.28Å; I783-F907 HydrophobicContact CD1-CZ 3.65Å; I783-F907 HydrophobicContact CG2-CD2 4.31Å; I783-F907 HydrophobicContact CG2-CE2 3.65Å; I783-F907 HydrophobicContact CG2-CZ 4.01Å; W824-F907 AromaticContact CH2-CE1 3.91Å; W824-F907 HydrophobicContact CH2-CE1 3.95Å; W824-F907 AromaticContact CH2-CZ 3.96Å; W824-F907 HydrophobicContact CH2-CZ 4.02Å; W824-F907 HydrophobicContact CZ3-CE1 4.28Å; W824-F907 HydrophobicContact CZ3-CZ 4.47Å; M828-F907 HydrophobicContact CE-CD1 4.12Å; M828-F907 HydrophobicContact CE-CE1 3.77Å; M828-F907 HydrophobicContact SD-CD1 4.01Å; M828-F907 HydrophobicContact SD-CE1 4.09Å; F903-F907 WeakPolarHBondContact O-CB 3.37Å; F903-F907 PolarHBondContact O-N 3.22Å; H904-F907 PolarHBondContact O-N 3.22Å; I905-F907 VanDerWaalsContact C-N 3.31Å; I905-F907 PolarHBondContact O-N 3.34Å; F907-K909 VanDerWaalsContact C-N 3.27Å; F907-K909 PolarHBondContact O-N 3.05Å; F907-A910 CarbonylContact O-C 3.51Å; F907-A910 WeakPolarHBondContact O-CA 3.4Å; F907-A910 PolarHBondContact O-N 3.05Å; F907-A910 VanDerWaalsContact O-N 3.14Å; F907-S911 VanDerWaalsContact O-CB 3.27Å; F907-S911 WeakPolarHBondContact O-CB 3.23Å; F907-S911 PolarHBondContact O-N 3.03Å; F907-S911 PolarHBondContact O-OG 3.13Å
908L87.2Confident80.2Confident38.5 Ų38.559.9 Ų59.920%0.20229%0.292CS..Hα-helixtrans-62.7-25.2177.4-78.5-176.9000114R825 M828 H904 I905 S911R825-L908 HydrophobicContact CG-CD2 3.69Å; R825-L908 PolarHBondContact NE-O 3.32Å; R825-L908 PolarHBondContact NH2-O 3.1Å; M828-L908 HydrophobicContact SD-CD2 4.21Å; H904-L908 VanDerWaalsContact CE1-CD1 3.49Å; H904-L908 WeakPolarHBondContact CE1-CD1 3.06Å; H904-L908 VanDerWaalsContact NE2-CD1 3.32Å; H904-L908 WeakPolarHBondContact NE2-CD1 3.31Å; H904-L908 WeakPolarHBondContact O-CB 3.31Å; H904-L908 WeakPolarHBondContact O-CG 3.37Å; H904-L908 PolarHBondContact O-N 3.13Å; I905-L908 PolarHBondContact O-N 3.28Å; L908-S911 WeakPolarHBondContact CA-OG 3.16Å
909K85.5Confident78.1Confident152.5 Ų152.562.7 Ų62.766%0.66331%0.313SS*.Hα-helixtrans-76.4-48.8168.8-67.3-176.6178.2-172.40110.7I905 P906 F907 S911 S912I905-K909 PolarHBondContact O-N 3.14Å; I905-K909 VanDerWaalsContact O-N 3.12Å; P906-K909 WeakPolarHBondContact O-CB 3.3Å; P906-K909 PolarHBondContact O-N 3.12Å; F907-K909 VanDerWaalsContact C-N 3.27Å; F907-K909 PolarHBondContact O-N 3.05Å; K909-S911 VanDerWaalsContact C-N 3.28Å; K909-S911 PolarHBondContact O-N 3.32Å; K909-S912 WeakPolarHBondContact O-CB 3.21Å; K909-S912 PolarHBondContact O-N 3.03Å; K909-S912 PolarHBondContact O-OG 3.22Å
910A80.9Confident75.8Confident31 Ų3171.2 Ų71.226%0.25635%0.353SS..Hα-helixtrans-67.7-17.9-179.800000114.9V779 P906 F907 R915V779-A910 HydrophobicContact CG1-CB 4.5Å; P906-A910 WeakPolarHBondContact O-CB 3.29Å; P906-A910 PolarHBondContact O-N 3.35Å; F907-A910 CarbonylContact O-C 3.51Å; F907-A910 WeakPolarHBondContact O-CA 3.4Å; F907-A910 PolarHBondContact O-N 3.05Å; F907-A910 VanDerWaalsContact O-N 3.14Å; A910-R915 VanDerWaalsContact O-CD 3.27Å; A910-R915 WeakPolarHBondContact O-CD 3.36Å; A910-R915 PolarHBondContact O-NH1 3.06Å
911S82.3Confident73.3Confident6.75 Ų6.7576.9 Ų76.95%0.04739%0.387CS..THydrogen-bonded Turntrans-106.316.7178.271.70000113.3Y821 F907 L908 K909Y821-S911 WeakPolarHBondContact OH-CB 3.18Å; Y821-S911 PolarHBondContact OH-O 3.24Å; F907-S911 VanDerWaalsContact O-CB 3.27Å; F907-S911 WeakPolarHBondContact O-CB 3.23Å; F907-S911 PolarHBondContact O-N 3.03Å; F907-S911 PolarHBondContact O-OG 3.13Å; L908-S911 WeakPolarHBondContact CA-OG 3.16Å; K909-S911 VanDerWaalsContact C-N 3.28Å; K909-S911 PolarHBondContact O-N 3.32Å
912S80.4Confident70.8Confident27 Ų2777.9 Ų77.919%0.18940%0.403CS..  trans-68.6138176.653.20000111.9K909 N914 R915K909-S912 WeakPolarHBondContact O-CB 3.21Å; K909-S912 PolarHBondContact O-N 3.03Å; K909-S912 PolarHBondContact O-OG 3.22Å; S912-N914 PolarHBondContact O-N 3.11Å; S912-R915 VanDerWaalsContact O-CB 3.25Å; S912-R915 WeakPolarHBondContact O-CB 3.39Å; S912-R915 PolarHBondContact O-N 3.34Å; S912-R915 VanDerWaalsContact O-N 3.14Å
913L72.8Confident68.2Low52.5 Ų52.583.7 Ų83.728%0.27542%0.424SS..THydrogen-bonded Turntrans-58.9-30178.1-81.8153.3000112.8Y821 T822 Q1106 N1109Y821-L913 HydrophobicContact CD1-CD1 4.25Å; Y821-L913 HydrophobicContact CD1-CD2 4.16Å; Y821-L913 HydrophobicContact CD1-CG 4.09Å; Y821-L913 HydrophobicContact CE1-CD1 4.44Å; Y821-L913 HydrophobicContact CE1-CD2 4.28Å; Y821-L913 HydrophobicContact CE1-CG 4.09Å; T822-L913 HydrophobicContact CG2-CD1 3.96Å; L913-Q1106 HydrophobicContact CD2-CG 4.39Å; L913-N1109 PolarHBondContact O-ND2 3.11Å
914N70.7Confident65.5Low82.25 Ų82.2585.9 Ų85.944%0.4445%0.453SS..THydrogen-bonded Turntrans-99.615.6-175.2-57.724.1000111.6S912 F916 Q917 L918S912-N914 PolarHBondContact O-N 3.11Å; N914-F916 PolarHBondContact O-N 3.07Å; N914-Q917 HydrophobicContact CB-CB 4.24Å; N914-Q917 HydrophobicContact CB-CG 4.49Å; N914-Q917 VanDerWaalsContact CB-OE1 3.28Å; N914-Q917 PolarHBondContact ND2-OE1 2.95Å; N914-Q917 WeakPolarHBondContact O-CB 3.37Å; N914-Q917 PolarHBondContact O-N 3.28Å; N914-L918 VanDerWaalsContact O-CD1 3.29Å; N914-L918 WeakPolarHBondContact O-CD1 3.39Å; N914-L918 PolarHBondContact O-N 3.05Å
915R69.4Low62.8Low131.75 Ų131.7590.2 Ų90.250%0.49748%0.484SS..THydrogen-bonded Turntrans-51.3-33.6-177.1175.5175.3176.8170.3-1.6114A910 S912A910-R915 VanDerWaalsContact O-CD 3.27Å; A910-R915 WeakPolarHBondContact O-CD 3.36Å; A910-R915 PolarHBondContact O-NH1 3.06Å; S912-R915 VanDerWaalsContact O-CB 3.25Å; S912-R915 WeakPolarHBondContact O-CB 3.39Å; S912-R915 PolarHBondContact O-N 3.34Å; S912-R915 VanDerWaalsContact O-N 3.14Å
916F65Low60.3Low64.25 Ų64.2590.9 Ų90.928%0.28249%0.493SS..THydrogen-bonded Turntrans-97.8-3-179.3-61-84.6000113.7N914 Q1106 F1107 N1110N914-F916 PolarHBondContact O-N 3.07Å; F916-Q1106 HydrophobicContact CD2-CB 4.18Å; F916-Q1106 VanDerWaalsContact CD2-O 3.3Å; F916-Q1106 WeakPolarHBondContact CD2-O 3.41Å; F916-Q1106 HydrophobicContact CE2-CB 4.17Å; F916-F1107 HydrophobicContact CE1-CD2 4.3Å; F916-F1107 HydrophobicContact CZ-CD2 4.42Å; F916-N1110 HydrophobicContact CB-CB 4Å; F916-N1110 WeakPolarHBondContact O-CB 3.3Å; F916-N1110 VanDerWaalsContact O-CG 3.24Å; F916-N1110 PolarHBondContact O-ND2 3.12Å
917Q58.8Low57.8Low69.25 Ų69.2596.4 Ų96.432%0.32452%0.521SS..THydrogen-bonded Turntrans-87.5-27.7176.2-72.8-177.6-31.300113.2N914 P919 N1109N914-Q917 HydrophobicContact CB-CB 4.24Å; N914-Q917 HydrophobicContact CB-CG 4.49Å; N914-Q917 VanDerWaalsContact CB-OE1 3.28Å; N914-Q917 PolarHBondContact ND2-OE1 2.95Å; N914-Q917 WeakPolarHBondContact O-CB 3.37Å; N914-Q917 PolarHBondContact O-N 3.28Å; Q917-P919 WeakPolarHBondContact O-CD 3.35Å; Q917-N1109 VanDerWaalsContact CD-O 3.29Å; Q917-N1109 WeakPolarHBondContact CG-O 3.41Å; Q917-N1109 PolarHBondContact NE2-ND2 3.03Å; Q917-N1109 PolarHBondContact NE2-O 3.23Å; Q917-N1109 PolarHBondContact NE2-OD1 3.1Å; Q917-N1109 PolarHBondContact OE1-ND2 3.09Å
918L50.5Low55.2Low124.25 Ų124.25100.5 Ų100.565%0.65155%0.552SS**SBendtrans-63.2127.6175.3-82.580.6000109.2N914 Q920N914-L918 VanDerWaalsContact O-CD1 3.29Å; N914-L918 WeakPolarHBondContact O-CD1 3.39Å; N914-L918 PolarHBondContact O-N 3.05Å; L918-Q920 PolarHBondContact O-N 3.27Å
919P44.4Very low52.6Low111.25 Ų111.25110.1 Ų110.172%0.72259%0.586SS**  trans-55133.6168.7-23.733.8000109.8Q917 V921Q917-P919 WeakPolarHBondContact O-CD 3.35Å; P919-V921 VanDerWaalsContact C-N 3.32Å; P919-V921 PolarHBondContact O-N 3.17Å
920Q42.1Very low50.2Low180.5 Ų180.5108.8 Ų108.884%0.84360%0.595SS**  trans-66101.3162-71.4-168.57.500107.5L918 S922L918-Q920 PolarHBondContact O-N 3.27Å; Q920-S922 PolarHBondContact O-N 2.97Å
921V36.9Very low48Very low140.5 Ų140.5110.8 Ų110.885%0.85262%0.619SS**  trans-52.3126.9170.8177.90000107.8P919 R923P919-V921 VanDerWaalsContact C-N 3.32Å; P919-V921 PolarHBondContact O-N 3.17Å; V921-R923 PolarHBondContact O-N 3.05Å; V921-R923 VanDerWaalsContact O-N 3.1Å
922S31.9Very low45.7Very low95 Ų95118.4 Ų118.466%0.66466%0.657SS**  trans-54.2110.6-152.5-58.30000114.4Q920 G924 S925Q920-S922 PolarHBondContact O-N 2.97Å; S922-G924 PolarHBondContact O-N 3.17Å; S922-S925 PolarHBondContact O-N 3.04Å
923R32.6Very low43.6Very low246 Ų246126.2 Ų126.293%0.92869%0.688SS**SBendtrans-75.911161.6-121.9177.6-176.1162.60.8113.4V921V921-R923 PolarHBondContact O-N 3.05Å; V921-R923 VanDerWaalsContact O-N 3.1Å
924G30.3Very low41.9Very low70.5 Ų70.5130.9 Ų130.973%0.72771%0.714SS**  trans-111.962.5170.100000112S922S922-G924 PolarHBondContact O-N 3.17Å
925S32.5Very low40.3Very low97 Ų97133 Ų13368%0.67873%0.725SS**  trans-15358.4163.8-1650000111S922S922-S925 PolarHBondContact O-N 3.04Å
926V35.5Very low38.8Very low124.75 Ų124.75136.8 Ų136.876%0.75674%0.739SS**SBendtrans-136.128.8171.5-177.60000109.3S928V926-S928 PolarHBondContact O-N 3.2Å; V926-S928 VanDerWaalsContact O-N 3.14Å
927N34.6Very low37.3Very low156.5 Ų156.5140.9 Ų140.984%0.83776%0.764SS**SBendtrans-136.855.3175.6-70.211.4000113.7R929N927-R929 PolarHBondContact O-N 3.37Å
928S33.9Very low36.3Very low107.75 Ų107.75143.2 Ų143.275%0.75379%0.788SS**  trans-143.253166.458.80000113.2V926V926-S928 PolarHBondContact O-N 3.2Å; V926-S928 VanDerWaalsContact O-N 3.14Å
929R32.7Very low35.5Very low241.5 Ų241.5144.8 Ų144.891%0.91180%0.797SS**  trans-15376.7171.4-136.9177.5-166.5-174.73.4114.7N927N927-R929 PolarHBondContact O-N 3.37Å
930S36.5Very low35Very low124.25 Ų124.25145.7 Ų145.787%0.86980%0.801SS**  trans-167.9104.916344.30000110.3
931G33.4Very low34.6Very low72.75 Ų72.75141.9 Ų141.975%0.7579%0.794SS**  trans-108.1135.7160.600000109.1F933G931-F933 PolarHBondContact O-N 3.25Å
932I35.6Very low34.3Very low166.75 Ų166.75142.7 Ų142.786%0.85579%0.792SS**  trans-108.8127.5161.6-75.1169.2000106.4
933F35.7Very low34.4Very low190.25 Ų190.25143.2 Ų143.283%0.83480%0.795SS**  trans-105.3144.5166.9-105.1-96.7000110.6G931G931-F933 PolarHBondContact O-N 3.25Å
934D36.5Very low34.4Very low152.75 Ų152.75140.7 Ų140.782%0.81779%0.794SS**  trans-110148.4155.8-88.2-54.8000111.6
935D37.2Very low34.6Very low125.5 Ų125.5142.5 Ų142.567%0.67180%0.796SS**  trans-144.6144.9148.8-156.78.7000115.4
936R37.2Very low35.1Very low212 Ų212140.5 Ų140.580%0.878%0.782SS**  trans96.2146.2161.9-89163.6173.9142-6118.3
937N35Very low35.4Very low149 Ų149142.1 Ų142.180%0.79779%0.786SS**  trans47.5105.6153.3-59.5-18.8000118.2
938S37.4Very low35.6Very low118 Ų118141.5 Ų141.583%0.82578%0.78SS**  trans-15099.5136.4460000111.4T940S938-T940 PolarHBondContact O-N 3.1Å; S938-T940 VanDerWaalsContact O-N 3.17Å
939N34.3Very low36.3Very low158.75 Ų158.75139.3 Ų139.385%0.84976%0.764SS**  trans-88.4117.6171.7-77.1-23.5000110
940T33.1Very low37.3Very low130.25 Ų130.25132 Ų13280%0.79974%0.744SS**  trans-173.8125.4151.225.50000114.6S938S938-T940 PolarHBondContact O-N 3.1Å; S938-T940 VanDerWaalsContact O-N 3.17Å
941S33.6Very low38Very low99.5 Ų99.5132.9 Ų132.970%0.69673%0.732SS**  trans21114.7150.349.80000115.3
942I31.1Very low39.1Very low157.5 Ų157.5133.9 Ų133.981%0.80872%0.719SS**  62.4105.2113.3-53.9163.6000113.9
943S33.8Very low40.3Very low105 Ų105132.6 Ų132.673%0.73471%0.71SS**  -143.1140.7129.652.30000110S945S943-S945 PolarHBondContact O-N 3.35Å; S943-S945 VanDerWaalsContact O-N 3.17Å
944Q32.9Very low41.6Very low193.75 Ų193.75128.8 Ų128.891%0.90570%0.698SS**  trans-90.194.4-164.1-66.5168.6-18.200113.1
945S34.2Very low43.1Very low109 Ų109125 Ų12576%0.76268%0.68SS**  trans-152.59.1170.965.70000116.3S943 N947S943-S945 PolarHBondContact O-N 3.35Å; S943-S945 VanDerWaalsContact O-N 3.17Å; S945-N947 PolarHBondContact O-N 3.28Å
946S42.9Very low44.5Very low56 Ų56123 Ų12339%0.39267%0.67SS.*  trans-101.71.5-164.753.50000117.3M948 S949 N950S946-M948 VanDerWaalsContact C-N 3.27Å; S946-M948 PolarHBondContact O-N 3.09Å; S946-M948 VanDerWaalsContact O-N 3.14Å; S946-S949 PolarHBondContact O-N 3.19Å; S946-S949 PolarHBondContact O-OG 3.1Å; S946-S949 VanDerWaalsContact O-OG 3.14Å; S946-N950 WeakPolarHBondContact CB-OD1 3.48Å; S946-N950 WeakPolarHBondContact O-CB 3.14Å; S946-N950 PolarHBondContact O-N 2.98Å; S946-N950 PolarHBondContact O-OD1 3.35Å; S946-N950 VanDerWaalsContact O-OD1 3.1Å
947N41.4Very low46.1Very low156.5 Ų156.5115.6 Ų115.684%0.83765%0.65SS**THydrogen-bonded Turntrans-66.5-12.8-172.6-79.52.2000115.5S945 F951S945-N947 PolarHBondContact O-N 3.28Å; N947-F951 VanDerWaalsContact O-CB 3.29Å; N947-F951 WeakPolarHBondContact O-CB 3.37Å
948M38.9Very low47.8Very low145.25 Ų145.25110.9 Ų110.972%0.71663%0.632SS**THydrogen-bonded Turntrans-103.6-26.8179.1-159.6169.573.800113.8S946 I952S946-M948 VanDerWaalsContact C-N 3.27Å; S946-M948 PolarHBondContact O-N 3.09Å; S946-M948 VanDerWaalsContact O-N 3.14Å; M948-I952 HydrophobicContact CG-CD1 4.22Å; M948-I952 WeakPolarHBondContact O-CD1 3.36Å; M948-I952 VanDerWaalsContact O-CG1 3.28Å; M948-I952 WeakPolarHBondContact O-CG1 3.32Å; M948-I952 PolarHBondContact O-N 3.27Å
949S49.6Very low49.5Very low60 Ų60111 Ų11142%0.4262%0.618SS.*Hα-helixtrans-67.7-51.217547.20000111.2S946 F951 I952 E953S946-S949 PolarHBondContact O-N 3.19Å; S946-S949 PolarHBondContact O-OG 3.1Å; S946-S949 VanDerWaalsContact O-OG 3.14Å; S949-F951 VanDerWaalsContact C-N 3.31Å; S949-F951 PolarHBondContact O-N 3.27Å; S949-I952 WeakPolarHBondContact O-CB 3.33Å; S949-I952 PolarHBondContact O-N 3.07Å; S949-E953 PolarHBondContact O-N 3.01Å
950N53Low51.4Low90 Ų90107.9 Ų107.948%0.48160%0.598SS.*Hα-helixtrans-67-35.2-171.7-59.922.7000111.1S946 I952 E953 D954S946-N950 WeakPolarHBondContact CB-OD1 3.48Å; S946-N950 WeakPolarHBondContact O-CB 3.14Å; S946-N950 PolarHBondContact O-N 2.98Å; S946-N950 PolarHBondContact O-OD1 3.35Å; S946-N950 VanDerWaalsContact O-OD1 3.1Å; N950-I952 VanDerWaalsContact C-N 3.26Å; N950-I952 PolarHBondContact O-N 2.89Å; N950-E953 PolarHBondContact O-N 3.09Å; N950-D954 VanDerWaalsContact O-CB 3.3Å; N950-D954 WeakPolarHBondContact O-CB 3.25Å; N950-D954 PolarHBondContact O-N 3.3Å
951F50.8Low53.5Low143 Ų143106.2 Ų106.263%0.62758%0.583SS**Hα-helixtrans-64.3-36.8173.3-174.1-102.1000112.5N947 S949 E953 V955N947-F951 VanDerWaalsContact O-CB 3.29Å; N947-F951 WeakPolarHBondContact O-CB 3.37Å; S949-F951 VanDerWaalsContact C-N 3.31Å; S949-F951 PolarHBondContact O-N 3.27Å; F951-E953 VanDerWaalsContact C-N 3.35Å; F951-V955 HydrophobicContact CD1-CG2 4.06Å; F951-V955 HydrophobicContact CD2-CG2 4.37Å; F951-V955 HydrophobicContact CE1-CG2 3.72Å; F951-V955 HydrophobicContact CE2-CG2 4.05Å; F951-V955 HydrophobicContact CG-CG2 4.38Å; F951-V955 HydrophobicContact CZ-CG2 3.71Å; F951-V955 VanDerWaalsContact O-CB 3.24Å; F951-V955 WeakPolarHBondContact O-CB 3.42Å; F951-V955 WeakPolarHBondContact O-CG2 3.34Å; F951-V955 PolarHBondContact O-N 3.16Å
952I58Low55.4Low93.25 Ų93.25105.8 Ų105.848%0.47858%0.576SS.*Hα-helixtrans-69.6-35.8176.5-69.5170.7000111M948 S949 N950 N956M948-I952 HydrophobicContact CG-CD1 4.22Å; M948-I952 WeakPolarHBondContact O-CD1 3.36Å; M948-I952 VanDerWaalsContact O-CG1 3.28Å; M948-I952 WeakPolarHBondContact O-CG1 3.32Å; M948-I952 PolarHBondContact O-N 3.27Å; S949-I952 WeakPolarHBondContact O-CB 3.33Å; S949-I952 PolarHBondContact O-N 3.07Å; N950-I952 VanDerWaalsContact C-N 3.26Å; N950-I952 PolarHBondContact O-N 2.89Å; I952-N956 VanDerWaalsContact O-CB 3.29Å; I952-N956 WeakPolarHBondContact O-CB 3.37Å; I952-N956 PolarHBondContact O-N 3.41Å; I952-N956 PolarHBondContact O-ND2 3.31Å
953E59.6Low57.6Low139.5 Ų139.5100.7 Ų100.765%0.65255%0.552SS**Hα-helixtrans-73.7-40.9176.8-66.6-168.1144.400112.7S949 N950 F951 N956 S957S949-E953 PolarHBondContact O-N 3.01Å; N950-E953 PolarHBondContact O-N 3.09Å; F951-E953 VanDerWaalsContact C-N 3.35Å; E953-N956 CarbonylContact O-C 3.56Å; E953-N956 WeakPolarHBondContact O-CB 3.48Å; E953-N956 PolarHBondContact O-N 2.84Å; E953-N956 VanDerWaalsContact O-N 3.17Å; E953-S957 WeakPolarHBondContact O-CB 3.45Å; E953-S957 PolarHBondContact O-N 3.2Å
954D64.1Low59.7Low109.75 Ų109.7598.7 Ų98.759%0.58754%0.539SS*.Hα-helixtrans-66.9-40.5173.3-92.2-22.3000112.4N950 N956 S957 A958N950-D954 VanDerWaalsContact O-CB 3.3Å; N950-D954 WeakPolarHBondContact O-CB 3.25Å; N950-D954 PolarHBondContact O-N 3.3Å; D954-N956 VanDerWaalsContact C-N 3.29Å; D954-N956 PolarHBondContact O-N 3.05Å; D954-S957 WeakPolarHBondContact CA-OG 3.38Å; D954-S957 PolarHBondContact O-N 3.21Å; D954-S957 PolarHBondContact O-OG 3.11Å; D954-S957 VanDerWaalsContact O-OG 3.09Å; D954-A958 VanDerWaalsContact O-CB 3.28Å; D954-A958 WeakPolarHBondContact O-CB 3.42Å; D954-A958 PolarHBondContact O-N 3.15Å
955V66Low61.9Low72.75 Ų72.7596.6 Ų96.644%0.44153%0.526SS..Hα-helixtrans-63.2-38172.3168.30000110.5F951 F959F951-V955 HydrophobicContact CD1-CG2 4.06Å; F951-V955 HydrophobicContact CD2-CG2 4.37Å; F951-V955 HydrophobicContact CE1-CG2 3.72Å; F951-V955 HydrophobicContact CE2-CG2 4.05Å; F951-V955 HydrophobicContact CG-CG2 4.38Å; F951-V955 HydrophobicContact CZ-CG2 3.71Å; F951-V955 VanDerWaalsContact O-CB 3.24Å; F951-V955 WeakPolarHBondContact O-CB 3.42Å; F951-V955 WeakPolarHBondContact O-CG2 3.34Å; F951-V955 PolarHBondContact O-N 3.16Å; V955-F959 WeakPolarHBondContact O-CA 3.05Å; V955-F959 WeakPolarHBondContact O-CB 3.37Å; V955-F959 PolarHBondContact O-N 2.93Å
956N67.6Low63.9Low85 Ų8596 Ų9646%0.45551%0.514SS..Hα-helixtrans-67.6-42174.3-100-54000112.5I952 E953 D954 F959 Q960I952-N956 VanDerWaalsContact O-CB 3.29Å; I952-N956 WeakPolarHBondContact O-CB 3.37Å; I952-N956 PolarHBondContact O-N 3.41Å; I952-N956 PolarHBondContact O-ND2 3.31Å; E953-N956 CarbonylContact O-C 3.56Å; E953-N956 WeakPolarHBondContact O-CB 3.48Å; E953-N956 PolarHBondContact O-N 2.84Å; E953-N956 VanDerWaalsContact O-N 3.17Å; D954-N956 VanDerWaalsContact C-N 3.29Å; D954-N956 PolarHBondContact O-N 3.05Å; N956-F959 PolarHBondContact O-N 3.13Å; N956-Q960 VanDerWaalsContact O-CG 3.31Å; N956-Q960 WeakPolarHBondContact O-CG 3.32Å; N956-Q960 PolarHBondContact O-N 3.01Å
957S71.6Confident65.5Low56.75 Ų56.75101.2 Ų101.240%0.39753%0.526SS..Hα-helixtrans-66.5-46.8-179.881.40000110.9E953 D954 F959 Q960 I961E953-S957 WeakPolarHBondContact O-CB 3.45Å; E953-S957 PolarHBondContact O-N 3.2Å; D954-S957 WeakPolarHBondContact CA-OG 3.38Å; D954-S957 PolarHBondContact O-N 3.21Å; D954-S957 PolarHBondContact O-OG 3.11Å; D954-S957 VanDerWaalsContact O-OG 3.09Å; S957-F959 VanDerWaalsContact C-N 3.34Å; S957-F959 PolarHBondContact O-N 2.83Å; S957-Q960 PolarHBondContact O-N 3.25Å; S957-I961 VanDerWaalsContact O-CG1 3.3Å; S957-I961 WeakPolarHBondContact O-CG1 3.35Å; S957-I961 PolarHBondContact O-N 3.3Å; S957-I961 VanDerWaalsContact O-N 3.09Å
958A70.5Confident67.2Low49.75 Ų49.7597.9 Ų97.941%0.41151%0.514SS..Hα-helixtrans-60.9-42.3172.500000111.5D954 Q960 I961 V962D954-A958 VanDerWaalsContact O-CB 3.28Å; D954-A958 WeakPolarHBondContact O-CB 3.42Å; D954-A958 PolarHBondContact O-N 3.15Å; A958-Q960 PolarHBondContact O-N 2.99Å; A958-I961 PolarHBondContact O-N 3.27Å; A958-V962 WeakPolarHBondContact O-CB 3.39Å; A958-V962 VanDerWaalsContact O-CG2 3.29Å; A958-V962 WeakPolarHBondContact O-CG2 3.39Å; A958-V962 PolarHBondContact O-N 3.03Å
959F73.2Confident69.3Low119 Ų11998.6 Ų98.652%0.52251%0.509SS..Hα-helixtrans-63.6-39.4175.9-177.1-105.7000112.2V955 N956 S957 I961 V962 V963V955-F959 WeakPolarHBondContact O-CA 3.05Å; V955-F959 WeakPolarHBondContact O-CB 3.37Å; V955-F959 PolarHBondContact O-N 2.93Å; N956-F959 PolarHBondContact O-N 3.13Å; S957-F959 VanDerWaalsContact C-N 3.34Å; S957-F959 PolarHBondContact O-N 2.83Å; F959-I961 VanDerWaalsContact C-N 3.35Å; F959-I961 PolarHBondContact O-N 2.99Å; F959-V962 PolarHBondContact O-N 3.19Å; F959-V963 HydrophobicContact CD1-CG2 3.98Å; F959-V963 HydrophobicContact CD2-CG2 4.07Å; F959-V963 HydrophobicContact CE1-CG2 3.67Å; F959-V963 HydrophobicContact CE2-CG2 3.77Å; F959-V963 HydrophobicContact CG-CG2 4.17Å; F959-V963 HydrophobicContact CZ-CG2 3.56Å; F959-V963 VanDerWaalsContact O-CB 3.24Å; F959-V963 WeakPolarHBondContact O-CB 3.44Å; F959-V963 VanDerWaalsContact O-CG2 3.23Å; F959-V963 WeakPolarHBondContact O-CG2 3.41Å; F959-V963 PolarHBondContact O-N 3.34Å
960Q72.5Confident70.6Confident95 Ų9597.5 Ų97.544%0.44450%0.503SS..Hα-helixtrans-66.7-35.7173.7-67.2-56.6-3600112.4N956 S957 A958 S964N956-Q960 VanDerWaalsContact O-CG 3.31Å; N956-Q960 WeakPolarHBondContact O-CG 3.32Å; N956-Q960 PolarHBondContact O-N 3.01Å; S957-Q960 PolarHBondContact O-N 3.25Å; A958-Q960 PolarHBondContact O-N 2.99Å; Q960-S964 VanDerWaalsContact O-CB 3.28Å; Q960-S964 WeakPolarHBondContact O-CB 3.32Å; Q960-S964 PolarHBondContact O-N 3.12Å; Q960-S964 PolarHBondContact O-OG 3.04Å
961I77.4Confident71.8Confident94.75 Ų94.7596.9 Ų96.949%0.48650%0.501SS..Hα-helixtrans-67.7-41.1173.8-66.4166.4000110.9S957 A958 F959 S964 K965S957-I961 VanDerWaalsContact O-CG1 3.3Å; S957-I961 WeakPolarHBondContact O-CG1 3.35Å; S957-I961 PolarHBondContact O-N 3.3Å; S957-I961 VanDerWaalsContact O-N 3.09Å; A958-I961 PolarHBondContact O-N 3.27Å; F959-I961 VanDerWaalsContact C-N 3.35Å; F959-I961 PolarHBondContact O-N 2.99Å; I961-S964 WeakPolarHBondContact CA-OG 3.38Å; I961-S964 PolarHBondContact O-OG 3.05Å; I961-S964 VanDerWaalsContact O-OG 3.1Å; I961-K965 HydrophobicContact CG2-CD 4.4Å; I961-K965 WeakPolarHBondContact O-CB 3.41Å; I961-K965 WeakPolarHBondContact O-CG 3.39Å; I961-K965 PolarHBondContact O-N 2.92Å; I961-K965 VanDerWaalsContact O-N 3.11Å
962V75.3Confident73Confident89.5 Ų89.592.8 Ų92.854%0.54249%0.49SS..Hα-helixtrans-67.6-45.5175.6170.10000111A958 F959 K965 L966A958-V962 WeakPolarHBondContact O-CB 3.39Å; A958-V962 VanDerWaalsContact O-CG2 3.29Å; A958-V962 WeakPolarHBondContact O-CG2 3.39Å; A958-V962 PolarHBondContact O-N 3.03Å; F959-V962 PolarHBondContact O-N 3.19Å; V962-K965 PolarHBondContact O-N 2.85Å; V962-L966 WeakPolarHBondContact O-CB 3.48Å; V962-L966 PolarHBondContact O-N 3.06Å
963V75.7Confident74.1Confident51.5 Ų51.591.9 Ų91.931%0.31249%0.485SS..Hα-helixtrans-67-38179.3167.60000111.8F959 L966 Y967F959-V963 HydrophobicContact CD1-CG2 3.98Å; F959-V963 HydrophobicContact CD2-CG2 4.07Å; F959-V963 HydrophobicContact CE1-CG2 3.67Å; F959-V963 HydrophobicContact CE2-CG2 3.77Å; F959-V963 HydrophobicContact CG-CG2 4.17Å; F959-V963 HydrophobicContact CZ-CG2 3.56Å; F959-V963 VanDerWaalsContact O-CB 3.24Å; F959-V963 WeakPolarHBondContact O-CB 3.44Å; F959-V963 VanDerWaalsContact O-CG2 3.23Å; F959-V963 WeakPolarHBondContact O-CG2 3.41Å; F959-V963 PolarHBondContact O-N 3.34Å; V963-L966 PolarHBondContact O-N 3.07Å; V963-Y967 VanDerWaalsContact O-CB 3.25Å; V963-Y967 WeakPolarHBondContact O-CB 3.4Å; V963-Y967 PolarHBondContact O-N 3.32Å
964S78Confident75.3Confident63.25 Ų63.2588.1 Ų88.144%0.44247%0.472SS..Hα-helixtrans-68.7-43.5174.9540000112Q960 I961 L966 Y967 C968Q960-S964 VanDerWaalsContact O-CB 3.28Å; Q960-S964 WeakPolarHBondContact O-CB 3.32Å; Q960-S964 PolarHBondContact O-N 3.12Å; Q960-S964 PolarHBondContact O-OG 3.04Å; I961-S964 WeakPolarHBondContact CA-OG 3.38Å; I961-S964 PolarHBondContact O-OG 3.05Å; I961-S964 VanDerWaalsContact O-OG 3.1Å; S964-L966 VanDerWaalsContact C-N 3.34Å; S964-L966 PolarHBondContact O-N 3.04Å; S964-Y967 PolarHBondContact O-N 3.18Å; S964-C968 PolarHBondContact O-N 3.09Å; S964-C968 PolarHBondContact O-SG 3.21Å
965K78.8Confident76.2Confident149.75 Ų149.7584.3 Ų84.365%0.65145%0.451SS*.Hα-helixtrans-59.4-44.6170.5-76.2179.5177.9179.80111.9I961 V962 Y967 C968 W969I961-K965 HydrophobicContact CG2-CD 4.4Å; I961-K965 WeakPolarHBondContact O-CB 3.41Å; I961-K965 WeakPolarHBondContact O-CG 3.39Å; I961-K965 PolarHBondContact O-N 2.92Å; I961-K965 VanDerWaalsContact O-N 3.11Å; V962-K965 PolarHBondContact O-N 2.85Å; K965-Y967 VanDerWaalsContact C-N 3.34Å; K965-Y967 PolarHBondContact O-N 3.33Å; K965-C968 PolarHBondContact O-N 3.01Å; K965-W969 VanDerWaalsContact O-CB 3.29Å; K965-W969 WeakPolarHBondContact O-CB 3.44Å; K965-W969 PolarHBondContact O-N 3.15Å
966L76.2Confident77Confident96.5 Ų96.583.7 Ų83.751%0.50544%0.444SS..Hα-helixtrans-65.6-35.7178-173.568.4000111.8V962 V963 S964 W969 A970V962-L966 WeakPolarHBondContact O-CB 3.48Å; V962-L966 PolarHBondContact O-N 3.06Å; V963-L966 PolarHBondContact O-N 3.07Å; S964-L966 VanDerWaalsContact C-N 3.34Å; S964-L966 PolarHBondContact O-N 3.04Å; L966-W969 HydrophobicContact CD1-CE3 3.81Å; L966-W969 HydrophobicContact CD1-CZ3 4.11Å; L966-W969 PolarHBondContact O-N 3.48Å; L966-A970 WeakPolarHBondContact O-CB 3.44Å; L966-A970 PolarHBondContact O-N 3.2Å
967Y78.2Confident78Confident164.75 Ų164.7581.9 Ų81.965%0.64644%0.437SS*.Hα-helixtrans-68.3-45.8175.3-179.5-89.3000111.6V963 S964 K965 W969 A970 D971V963-Y967 VanDerWaalsContact O-CB 3.25Å; V963-Y967 WeakPolarHBondContact O-CB 3.4Å; V963-Y967 PolarHBondContact O-N 3.32Å; S964-Y967 PolarHBondContact O-N 3.18Å; K965-Y967 VanDerWaalsContact C-N 3.34Å; K965-Y967 PolarHBondContact O-N 3.33Å; Y967-W969 VanDerWaalsContact C-N 3.34Å; Y967-W969 PolarHBondContact O-N 2.89Å; Y967-A970 PolarHBondContact O-N 3.21Å; Y967-D971 PolarHBondContact O-N 3.18Å
968C77.3Confident78.9Confident86.75 Ų86.7583.4 Ų83.459%0.58643%0.434SS*.Hα-helixtrans-64-39.6174.6-69.50000112S964 K965 S972S964-C968 PolarHBondContact O-N 3.09Å; S964-C968 PolarHBondContact O-SG 3.21Å; K965-C968 PolarHBondContact O-N 3.01Å; C968-S972 VanDerWaalsContact O-CB 3.3Å; C968-S972 WeakPolarHBondContact O-CB 3.36Å; C968-S972 PolarHBondContact O-N 3.16Å; C968-S972 VanDerWaalsContact O-N 3.1Å
969W80.9Confident79.7Confident159.25 Ų159.2581.5 Ų81.560%0.60342%0.417SS*.Hα-helixtrans-64-41.5172178.183.9000111.8K965 L966 Y967 L973K965-W969 VanDerWaalsContact O-CB 3.29Å; K965-W969 WeakPolarHBondContact O-CB 3.44Å; K965-W969 PolarHBondContact O-N 3.15Å; L966-W969 HydrophobicContact CD1-CE3 3.81Å; L966-W969 HydrophobicContact CD1-CZ3 4.11Å; L966-W969 PolarHBondContact O-N 3.48Å; Y967-W969 VanDerWaalsContact C-N 3.34Å; Y967-W969 PolarHBondContact O-N 2.89Å; W969-L973 HydrophobicContact CE3-CD2 4.38Å; W969-L973 HydrophobicContact CH2-CD2 3.58Å; W969-L973 HydrophobicContact CZ2-CD2 3.89Å; W969-L973 HydrophobicContact CZ3-CD2 3.84Å; W969-L973 WeakPolarHBondContact O-CB 3.4Å; W969-L973 PolarHBondContact O-N 3.03Å
970A77.5Confident80.5Confident36.75 Ų36.7579.6 Ų79.630%0.30441%0.408SS..Hα-helixtrans-69.4-40.2178.800000112.7L966 Y967 L973 T974L966-A970 WeakPolarHBondContact O-CB 3.44Å; L966-A970 PolarHBondContact O-N 3.2Å; Y967-A970 PolarHBondContact O-N 3.21Å; A970-L973 PolarHBondContact O-N 3.31Å; A970-T974 VanDerWaalsContact O-CB 3.32Å; A970-T974 WeakPolarHBondContact O-CB 3.26Å; A970-T974 VanDerWaalsContact O-CG2 3.28Å; A970-T974 WeakPolarHBondContact O-CG2 3.43Å; A970-T974 PolarHBondContact O-N 3.15Å; A970-T974 PolarHBondContact O-OG1 3.27Å
971D78.2Confident81.4Confident79.25 Ų79.2578.9 Ų78.942%0.42440%0.404SS..Hα-helixtrans-63.8-48.1174.1-17477.8000110.6Y967 L973 T974 N975Y967-D971 PolarHBondContact O-N 3.18Å; D971-L973 PolarHBondContact O-N 3.12Å; D971-T974 PolarHBondContact O-N 3.11Å; D971-T974 VanDerWaalsContact O-N 3.16Å; D971-T974 PolarHBondContact O-OG1 2.94Å; D971-N975 WeakPolarHBondContact O-CB 3.42Å; D971-N975 PolarHBondContact O-N 3Å; D971-N975 PolarHBondContact O-ND2 3.27Å; D971-N975 VanDerWaalsContact O-ND2 3.09Å; D971-N975 PolarHBondContact OD2-ND2 3Å
972S75.8Confident82Confident56.25 Ų56.2576 Ų7639%0.39339%0.388SS..Hα-helixtrans-55.6-50.8173.3-174.10000111.8C968 T974 N975 H976C968-S972 VanDerWaalsContact O-CB 3.3Å; C968-S972 WeakPolarHBondContact O-CB 3.36Å; C968-S972 PolarHBondContact O-N 3.16Å; C968-S972 VanDerWaalsContact O-N 3.1Å; S972-T974 PolarHBondContact O-N 3.16Å; S972-N975 PolarHBondContact O-N 3.17Å; S972-H976 PolarHBondContact O-N 3.27Å; S972-H976 PolarHBondContact O-ND1 3.2Å; S972-H976 PolarHBondContact OG-CE1 3.18Å
973L82.6Confident82.7Confident73.5 Ų73.573.5 Ų73.539%0.38537%0.371SS..Hα-helixtrans-59.7-45.8177.8178.362.6000111.2W969 A970 D971 N975 H976 C977W969-L973 HydrophobicContact CE3-CD2 4.38Å; W969-L973 HydrophobicContact CH2-CD2 3.58Å; W969-L973 HydrophobicContact CZ2-CD2 3.89Å; W969-L973 HydrophobicContact CZ3-CD2 3.84Å; W969-L973 WeakPolarHBondContact O-CB 3.4Å; W969-L973 PolarHBondContact O-N 3.03Å; A970-L973 PolarHBondContact O-N 3.31Å; D971-L973 PolarHBondContact O-N 3.12Å; L973-N975 VanDerWaalsContact C-N 3.33Å; L973-N975 PolarHBondContact O-N 3.31Å; L973-H976 CarbonylContact O-C 3.35Å; L973-H976 PolarHBondContact O-N 3.17Å; L973-C977 WeakPolarHBondContact O-CB 3.35Å; L973-C977 PolarHBondContact O-N 3.16Å; L973-C977 PolarHBondContact O-SG 3.01Å
974T83.2Confident83.4Confident60 Ų6074.1 Ų74.137%0.36837%0.371SS..Hα-helixtrans-62.1-41.5178.664.30000111.3A970 D971 S972 H976 C977 W978A970-T974 VanDerWaalsContact O-CB 3.32Å; A970-T974 WeakPolarHBondContact O-CB 3.26Å; A970-T974 VanDerWaalsContact O-CG2 3.28Å; A970-T974 WeakPolarHBondContact O-CG2 3.43Å; A970-T974 PolarHBondContact O-N 3.15Å; A970-T974 PolarHBondContact O-OG1 3.27Å; D971-T974 PolarHBondContact O-N 3.11Å; D971-T974 VanDerWaalsContact O-N 3.16Å; D971-T974 PolarHBondContact O-OG1 2.94Å; S972-T974 PolarHBondContact O-N 3.16Å; T974-H976 VanDerWaalsContact C-N 3.35Å; T974-H976 PolarHBondContact O-N 3.39Å; T974-C977 PolarHBondContact O-N 3.17Å; T974-W978 WeakPolarHBondContact O-CB 3.24Å; T974-W978 PolarHBondContact O-N 3.24Å
975N83.6Confident84.2Confident30.25 Ų30.2573.3 Ų73.316%0.16236%0.358CS..Hα-helixtrans-64.2-39.2178.1-71.2-44.3000111.9D971 S972 L973 R979 R1103 F1107D971-N975 WeakPolarHBondContact O-CB 3.42Å; D971-N975 PolarHBondContact O-N 3Å; D971-N975 PolarHBondContact O-ND2 3.27Å; D971-N975 VanDerWaalsContact O-ND2 3.09Å; D971-N975 PolarHBondContact OD2-ND2 3Å; S972-N975 PolarHBondContact O-N 3.17Å; L973-N975 VanDerWaalsContact C-N 3.33Å; L973-N975 PolarHBondContact O-N 3.31Å; N975-R979 WeakPolarHBondContact O-CB 3.39Å; N975-R979 PolarHBondContact O-N 3.18Å; N975-R979 VanDerWaalsContact O-N 3.09Å; N975-R1103 PolarHBondContact OD1-NH1 3.3Å; N975-R1103 PolarHBondContact OD1-NH2 3.09Å; N975-F1107 HydrophobicContact CB-CZ 4.4Å; N975-F1107 WeakPolarHBondContact OD1-CE2 3.45Å
976H83.7Confident84.8Confident59.5 Ų59.566.8 Ų66.828%0.27533%0.33SS..Hα-helixtrans-65.8-41.4170.6-67.598.4000112.6S972 L973 T974 R979 F980 F1122S972-H976 PolarHBondContact O-N 3.27Å; S972-H976 PolarHBondContact O-ND1 3.2Å; S972-H976 PolarHBondContact OG-CE1 3.18Å; L973-H976 CarbonylContact O-C 3.35Å; L973-H976 PolarHBondContact O-N 3.17Å; T974-H976 VanDerWaalsContact C-N 3.35Å; T974-H976 PolarHBondContact O-N 3.39Å; H976-R979 PolarHBondContact O-N 2.87Å; H976-F980 WeakPolarHBondContact O-CB 3.38Å; H976-F980 PolarHBondContact O-N 3.28Å; H976-F1122 HydrophobicContact CB-CE1 4.47Å; H976-F1122 AromaticContact CD2-CD1 3.39Å; H976-F1122 VanDerWaalsContact CD2-CD1 3.43Å; H976-F1122 WeakPolarHBondContact CD2-CD1 3.35Å; H976-F1122 AromaticContact CD2-CE1 3.29Å; H976-F1122 WeakPolarHBondContact CD2-CE1 3.43Å; H976-F1122 AromaticContact CG-CE1 3.92Å; H976-F1122 AromaticContact NE2-CD1 3.46Å; H976-F1122 WeakPolarHBondContact NE2-CD1 3.4Å; H976-F1122 AromaticContact NE2-CE1 3.67Å
977C88.4Confident85.6Confident48.25 Ų48.2565.4 Ų65.433%0.32632%0.32SS..Hα-helixtrans-63-43175.5-69.20000112.3L973 T974 R979 F980 F981L973-C977 WeakPolarHBondContact O-CB 3.35Å; L973-C977 PolarHBondContact O-N 3.16Å; L973-C977 PolarHBondContact O-SG 3.01Å; T974-C977 PolarHBondContact O-N 3.17Å; C977-R979 VanDerWaalsContact C-N 3.28Å; C977-R979 PolarHBondContact O-N 3.23Å; C977-F980 WeakPolarHBondContact O-CB 3.4Å; C977-F980 PolarHBondContact O-N 3.17Å; C977-F981 HydrophobicContact CB-CE2 4.36Å; C977-F981 WeakPolarHBondContact O-CD2 3.44Å; C977-F981 WeakPolarHBondContact O-CG 3.23Å; C977-F981 PolarHBondContact O-N 3.16Å
978W89.4Confident86.4Confident88.25 Ų88.2560.7 Ų60.733%0.33431%0.306SS..Hα-helixtrans-63.4-34.2174.9-75.6112.2000111.9T974 E982 I1100 R1103 Q1104T974-W978 WeakPolarHBondContact O-CB 3.24Å; T974-W978 PolarHBondContact O-N 3.24Å; W978-E982 WeakPolarHBondContact O-CB 3.39Å; W978-E982 PolarHBondContact O-N 2.98Å; W978-I1100 HydrophobicContact CE3-CG1 4.23Å; W978-I1100 HydrophobicContact CZ3-CG1 3.89Å; W978-R1103 VanDerWaalsContact CD1-NE 3.28Å; W978-R1103 VanDerWaalsContact CD1-NH2 3.32Å; W978-R1103 VanDerWaalsContact CD2-CD 3.41Å; W978-R1103 VanDerWaalsContact CE3-CD 3.47Å; W978-R1103 VanDerWaalsContact CG-CZ 3.46Å; W978-R1103 VanDerWaalsContact CG-NE 3.33Å; W978-Q1104 PolarHBondContact O-NE2 3.1Å; W978-Q1104 VanDerWaalsContact O-NE2 3.1Å
979R88.1Confident87.2Confident9.75 Ų9.7556.6 Ų56.64%0.03728%0.278CS..Hα-helixtrans-71.6-40.1173.4-17855173.8-165.1-4.7112.7N975 H976 C977 F981 E982 I983 P1116 G1117 I1120 I1121N975-R979 WeakPolarHBondContact O-CB 3.39Å; N975-R979 PolarHBondContact O-N 3.18Å; N975-R979 VanDerWaalsContact O-N 3.09Å; H976-R979 PolarHBondContact O-N 2.87Å; C977-R979 VanDerWaalsContact C-N 3.28Å; C977-R979 PolarHBondContact O-N 3.23Å; R979-F981 VanDerWaalsContact C-N 3.33Å; R979-F981 PolarHBondContact O-N 2.92Å; R979-E982 WeakPolarHBondContact CD-OE2 3.39Å; R979-E982 IonicContact CZ-OE2 2.92Å; R979-E982 IonicContact NE-OE2 3.15Å; R979-E982 IonicContact NH1-OE1 3.13Å; R979-E982 PolarHBondContact NH1-OE1 3.08Å; R979-E982 VanDerWaalsContact NH1-OE1 3.11Å; R979-E982 IonicContact NH1-OE2 3.17Å; R979-E982 PolarHBondContact NH1-OE2 3.06Å; R979-E982 WeakPolarHBondContact O-CB 3.24Å; R979-E982 PolarHBondContact O-N 3.04Å; R979-I983 HydrophobicContact CG-CD1 4.21Å; R979-I983 PolarHBondContact O-N 3.31Å; R979-P1116 PolarHBondContact NH2-O 3.31Å; R979-G1117 PolarHBondContact NH2-O 3.12Å; R979-I1120 VanDerWaalsContact CZ-O 3.31Å; R979-I1120 PolarHBondContact NE-O 2.98Å; R979-I1120 PolarHBondContact NH2-O 3.29Å; R979-I1121 HydrophobicContact CG-CB 4.48Å; R979-I1121 HydrophobicContact CG-CG1 4.44Å; R979-I1121 HydrophobicContact CG-CG2 4.43Å
980F90.4Very high87.8Confident79 Ų7949 Ų4935%0.34625%0.249SC..Hα-helixtrans-59.1-45.9171.5175.8-96.6000111.2H976 C977 I983 H984 I1121H976-F980 WeakPolarHBondContact O-CB 3.38Å; H976-F980 PolarHBondContact O-N 3.28Å; C977-F980 WeakPolarHBondContact O-CB 3.4Å; C977-F980 PolarHBondContact O-N 3.17Å; F980-I983 PolarHBondContact O-N 2.92Å; F980-H984 AromaticContact CD2-CD2 3.8Å; F980-H984 AromaticContact CD2-NE2 4Å; F980-H984 HydrophobicContact CE1-CB 4.43Å; F980-H984 AromaticContact CE2-CD2 3.73Å; F980-H984 AromaticContact CE2-CE1 3.83Å; F980-H984 AromaticContact CE2-CG 3.9Å; F980-H984 AromaticContact CE2-ND1 3.94Å; F980-H984 AromaticContact CE2-NE2 3.75Å; F980-H984 HydrophobicContact CZ-CB 4.38Å; F980-H984 AromaticContact CZ-CG 3.97Å; F980-H984 AromaticContact CZ-ND1 3.98Å; F980-H984 WeakPolarHBondContact O-CB 3.38Å; F980-H984 PolarHBondContact O-CD2 3.14Å; F980-H984 PolarHBondContact O-N 3.12Å; F980-I1121 HydrophobicContact CB-CD1 4.42Å; F980-I1121 HydrophobicContact CD2-CD1 3.99Å
981F91.4Very high88.6Confident79.25 Ų79.2550.1 Ų50.135%0.34825%0.249SC..Hα-helixtrans-63.5-40.9174.7-64.8-45000112.6C977 R979 I983 H984 W985 I1100C977-F981 HydrophobicContact CB-CE2 4.36Å; C977-F981 WeakPolarHBondContact O-CD2 3.44Å; C977-F981 WeakPolarHBondContact O-CG 3.23Å; C977-F981 PolarHBondContact O-N 3.16Å; R979-F981 VanDerWaalsContact C-N 3.33Å; R979-F981 PolarHBondContact O-N 2.92Å; F981-I983 PolarHBondContact O-N 3.16Å; F981-I983 VanDerWaalsContact O-N 3.17Å; F981-H984 PolarHBondContact O-N 3.17Å; F981-W985 HydrophobicContact CB-CE3 4.47Å; F981-W985 AromaticContact CD1-CE3 3.99Å; F981-W985 HydrophobicContact CD1-CE3 4Å; F981-W985 HydrophobicContact CD1-CZ3 4.26Å; F981-W985 HydrophobicContact CE1-CZ3 4.46Å; F981-W985 HydrophobicContact CG-CE3 4.41Å; F981-W985 WeakPolarHBondContact O-CB 3.4Å; F981-W985 PolarHBondContact O-N 3.26Å; F981-I1100 HydrophobicContact CB-CD1 3.99Å; F981-I1100 HydrophobicContact CB-CG1 4.45Å; F981-I1100 HydrophobicContact CB-CG2 4.4Å
982E90.4Very high89.3Confident35.25 Ų35.2547.4 Ų47.417%0.16524%0.236CC..Hα-helixtrans-52.4-39.2174.2-170.3-172.1171.800112.3W978 R979 I1100 Q1104 R1115W978-E982 WeakPolarHBondContact O-CB 3.39Å; W978-E982 PolarHBondContact O-N 2.98Å; R979-E982 WeakPolarHBondContact CD-OE2 3.39Å; R979-E982 IonicContact CZ-OE2 2.92Å; R979-E982 IonicContact NE-OE2 3.15Å; R979-E982 IonicContact NH1-OE1 3.13Å; R979-E982 PolarHBondContact NH1-OE1 3.08Å; R979-E982 VanDerWaalsContact NH1-OE1 3.11Å; R979-E982 IonicContact NH1-OE2 3.17Å; R979-E982 PolarHBondContact NH1-OE2 3.06Å; R979-E982 WeakPolarHBondContact O-CB 3.24Å; R979-E982 PolarHBondContact O-N 3.04Å; E982-I1100 HydrophobicContact CB-CG2 4.21Å; E982-Q1104 HydrophobicContact CB-CG 4.13Å; E982-Q1104 HydrophobicContact CG-CB 4.5Å; E982-Q1104 HydrophobicContact CG-CG 4.05Å; E982-Q1104 PolarHBondContact OE2-NE2 3.11Å; E982-R1115 IonicContact OE1-CZ 2.97Å; E982-R1115 IonicContact OE1-NE 2.99Å; E982-R1115 PolarHBondContact OE1-NE 3.07Å; E982-R1115 IonicContact OE1-NH2 3.02Å; E982-R1115 PolarHBondContact OE1-NH2 3.11Å
983I88.5Confident90.2Very high36.25 Ų36.2544.7 Ų44.719%0.18622%0.217CC..Hα-helixtrans-87-37.5-176.6-65.1158.9000112.4R979 F980 F981 G1119 I1121R979-I983 HydrophobicContact CG-CD1 4.21Å; R979-I983 PolarHBondContact O-N 3.31Å; F980-I983 PolarHBondContact O-N 2.92Å; F981-I983 PolarHBondContact O-N 3.16Å; F981-I983 VanDerWaalsContact O-N 3.17Å; I983-G1119 WeakPolarHBondContact CD1-O 3.43Å; I983-I1121 HydrophobicContact CD1-CG1 3.66Å
984H91.2Very high90.8Very high64 Ų6441.4 Ų41.430%0.29620%0.2SC..Hα-helixtrans-97.8-21.8-171.2-74.7-112.3000114.8F980 F981 I986 K987 L988F980-H984 AromaticContact CD2-CD2 3.8Å; F980-H984 AromaticContact CD2-NE2 4Å; F980-H984 HydrophobicContact CE1-CB 4.43Å; F980-H984 AromaticContact CE2-CD2 3.73Å; F980-H984 AromaticContact CE2-CE1 3.83Å; F980-H984 AromaticContact CE2-CG 3.9Å; F980-H984 AromaticContact CE2-ND1 3.94Å; F980-H984 AromaticContact CE2-NE2 3.75Å; F980-H984 HydrophobicContact CZ-CB 4.38Å; F980-H984 AromaticContact CZ-CG 3.97Å; F980-H984 AromaticContact CZ-ND1 3.98Å; F980-H984 WeakPolarHBondContact O-CB 3.38Å; F980-H984 PolarHBondContact O-CD2 3.14Å; F980-H984 PolarHBondContact O-N 3.12Å; F981-H984 PolarHBondContact O-N 3.17Å; H984-I986 VanDerWaalsContact C-N 3.28Å; H984-I986 PolarHBondContact O-N 2.98Å; H984-K987 VanDerWaalsContact O-CB 3.31Å; H984-K987 WeakPolarHBondContact O-CB 3.28Å; H984-K987 PolarHBondContact O-N 3.15Å; H984-L988 PolarHBondContact O-N 3.01Å
985W93.7Very high91.3Very high47.25 Ų47.2541 Ų4118%0.17920%0.197CC..Hα-helixtrans-64.2-28.5-171.6-162-83.8000113.9F981 K987 L988 V989 V1093 V1096 W1097 I1100F981-W985 HydrophobicContact CB-CE3 4.47Å; F981-W985 AromaticContact CD1-CE3 3.99Å; F981-W985 HydrophobicContact CD1-CE3 4Å; F981-W985 HydrophobicContact CD1-CZ3 4.26Å; F981-W985 HydrophobicContact CE1-CZ3 4.46Å; F981-W985 HydrophobicContact CG-CE3 4.41Å; F981-W985 WeakPolarHBondContact O-CB 3.4Å; F981-W985 PolarHBondContact O-N 3.26Å; W985-K987 PolarHBondContact O-N 3.13Å; W985-L988 HydrophobicContact CD2-CD2 4.14Å; W985-L988 HydrophobicContact CE3-CD2 4.16Å; W985-L988 HydrophobicContact CH2-CD2 3.92Å; W985-L988 HydrophobicContact CZ2-CD2 3.91Å; W985-L988 HydrophobicContact CZ3-CD2 4.06Å; W985-L988 WeakPolarHBondContact O-CB 3.42Å; W985-L988 PolarHBondContact O-N 3.1Å; W985-L988 VanDerWaalsContact O-N 3.12Å; W985-V989 WeakPolarHBondContact O-CG2 3.36Å; W985-V989 PolarHBondContact O-N 3.06Å; W985-V1093 HydrophobicContact CZ2-CG1 4.45Å; W985-V1093 PolarHBondContact NE1-O 3.2Å; W985-V1096 HydrophobicContact CD2-CG1 4.34Å; W985-V1096 HydrophobicContact CH2-CB 4.49Å; W985-V1096 HydrophobicContact CH2-CG1 3.73Å; W985-V1096 HydrophobicContact CZ2-CB 3.68Å; W985-V1096 HydrophobicContact CZ2-CG1 3.31Å; W985-V1096 HydrophobicContact CZ2-CG2 4.48Å; W985-V1096 HydrophobicContact CZ3-CG1 4.38Å; W985-W1097 AromaticContact CD1-CD1 3.88Å; W985-I1100 HydrophobicContact CB-CD1 3.91Å; W985-I1100 HydrophobicContact CD2-CD1 3.49Å; W985-I1100 VanDerWaalsContact CD2-CD1 3.47Å; W985-I1100 HydrophobicContact CE3-CD1 3.7Å; W985-I1100 HydrophobicContact CG-CD1 3.59Å; W985-I1100 HydrophobicContact CZ3-CD1 4.46Å
986I92.8Very high91.7Very high12 Ų1239.7 Ų39.76%0.06219%0.19CC..Hα-helixtrans-63.9-28.9174-16865.7000112.9H984 L988 V989 G990 H1022 M1025 T1026H984-I986 VanDerWaalsContact C-N 3.28Å; H984-I986 PolarHBondContact O-N 2.98Å; I986-L988 VanDerWaalsContact C-N 3.35Å; I986-V989 HydrophobicContact CD1-CB 4.37Å; I986-V989 PolarHBondContact O-N 3.28Å; I986-G990 PolarHBondContact O-N 3.14Å; I986-G990 VanDerWaalsContact O-N 3.08Å; I986-H1022 HydrophobicContact CD1-CB 3.92Å; I986-H1022 HydrophobicContact CG1-CB 4.21Å; I986-M1025 HydrophobicContact CD1-CE 3.67Å; I986-T1026 HydrophobicContact CD1-CG2 4.14Å
987K93.2Very high92.2Very high68.75 Ų68.7536.9 Ų36.930%0.29918%0.178SC..Hα-helixtrans-69.6-36.8174.7-53.2177-175.4175.90110.6H984 W985 G990 L991 F1016H984-K987 VanDerWaalsContact O-CB 3.31Å; H984-K987 WeakPolarHBondContact O-CB 3.28Å; H984-K987 PolarHBondContact O-N 3.15Å; W985-K987 PolarHBondContact O-N 3.13Å; K987-G990 PolarHBondContact O-N 3.22Å; K987-L991 WeakPolarHBondContact O-CB 3.22Å; K987-L991 PolarHBondContact O-N 3.13Å; K987-F1016 HydrophobicContact CG-CZ 4.46Å
988L93.7Very high92.3Very high66 Ų6635.5 Ų35.535%0.34617%0.167SC..Hα-helixtrans-67.4-41.3172.9-178.463.5000111.8H984 W985 I986 G990 L991 V992 V1093H984-L988 PolarHBondContact O-N 3.01Å; W985-L988 HydrophobicContact CD2-CD2 4.14Å; W985-L988 HydrophobicContact CE3-CD2 4.16Å; W985-L988 HydrophobicContact CH2-CD2 3.92Å; W985-L988 HydrophobicContact CZ2-CD2 3.91Å; W985-L988 HydrophobicContact CZ3-CD2 4.06Å; W985-L988 WeakPolarHBondContact O-CB 3.42Å; W985-L988 PolarHBondContact O-N 3.1Å; W985-L988 VanDerWaalsContact O-N 3.12Å; I986-L988 VanDerWaalsContact C-N 3.35Å; L988-G990 VanDerWaalsContact C-N 3.35Å; L988-G990 PolarHBondContact O-N 3.18Å; L988-L991 PolarHBondContact O-N 3.16Å; L988-V992 HydrophobicContact CD1-CG2 4.16Å; L988-V992 HydrophobicContact CG-CG2 4.46Å; L988-V992 VanDerWaalsContact O-CG2 3.32Å; L988-V992 WeakPolarHBondContact O-CG2 3.39Å; L988-V992 PolarHBondContact O-N 2.94Å; L988-V1093 HydrophobicContact CD2-CG1 4.48Å; L988-V1093 HydrophobicContact CG-CG1 4.26Å
989V94.6Very high92.3Very high0 Ų036.4 Ų36.40%018%0.179CC..Hα-helixtrans-55.5-50.7172.31750000110.5W985 I986 L991 V992 I993 M1025 T1026 V1093 T1094 W1097W985-V989 WeakPolarHBondContact O-CG2 3.36Å; W985-V989 PolarHBondContact O-N 3.06Å; I986-V989 HydrophobicContact CD1-CB 4.37Å; I986-V989 PolarHBondContact O-N 3.28Å; V989-L991 PolarHBondContact O-N 3.13Å; V989-V992 PolarHBondContact O-N 3.2Å; V989-I993 HydrophobicContact CG1-CD1 3.95Å; V989-I993 WeakPolarHBondContact O-CG1 3.38Å; V989-I993 PolarHBondContact O-N 3.12Å; V989-M1025 HydrophobicContact CG1-CE 3.77Å; V989-T1026 HydrophobicContact CG1-CG2 4.16Å; V989-T1026 HydrophobicContact CG2-CG2 4.29Å; V989-V1093 HydrophobicContact CB-CG1 4.47Å; V989-V1093 HydrophobicContact CG2-CG1 3.86Å; V989-T1094 HydrophobicContact CG1-CG2 4.21Å; V989-W1097 HydrophobicContact CG2-CB 4.32Å
990G93.2Very high92.4Very high0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-60.9-42.717900000113.4I986 K987 L988 V992 I993 I994 F1255I986-G990 PolarHBondContact O-N 3.14Å; I986-G990 VanDerWaalsContact O-N 3.08Å; K987-G990 PolarHBondContact O-N 3.22Å; L988-G990 VanDerWaalsContact C-N 3.35Å; L988-G990 PolarHBondContact O-N 3.18Å; G990-V992 PolarHBondContact O-N 3.41Å; G990-I993 PolarHBondContact O-N 3.04Å; G990-I994 WeakPolarHBondContact O-CG1 3.39Å; G990-I994 PolarHBondContact O-N 3.26Å; G990-I994 VanDerWaalsContact O-N 3.11Å; G990-F1255 VanDerWaalsContact C-CZ 3.48Å
991L93.6Very high92.4Very high59 Ų5936.3 Ų36.331%0.30918%0.184SC..Hα-helixtrans-61-44.7175.4-176.2149.9000111.8K987 L988 V989 I993 I994 V995 F1255 F1256K987-L991 WeakPolarHBondContact O-CB 3.22Å; K987-L991 PolarHBondContact O-N 3.13Å; L988-L991 PolarHBondContact O-N 3.16Å; V989-L991 PolarHBondContact O-N 3.13Å; L991-I993 VanDerWaalsContact C-N 3.34Å; L991-I993 PolarHBondContact O-N 3.13Å; L991-I994 PolarHBondContact O-N 3.11Å; L991-V995 HydrophobicContact CD2-CG2 3.93Å; L991-V995 HydrophobicContact CG-CG2 4.46Å; L991-V995 WeakPolarHBondContact O-CB 3.38Å; L991-V995 VanDerWaalsContact O-CG2 3.3Å; L991-V995 WeakPolarHBondContact O-CG2 3.36Å; L991-V995 PolarHBondContact O-N 3.06Å; L991-F1255 HydrophobicContact CB-CE1 4.07Å; L991-F1256 HydrophobicContact CD1-CE1 4.16Å; L991-F1256 HydrophobicContact CD1-CZ 3.75Å
992V94.3Very high92.3Very high22.25 Ų22.2532.6 Ų32.614%0.13517%0.167CC..Hα-helixtrans-68.7-31.9-180174.80000112L988 V989 G990 T996 L1090 V1093L988-V992 HydrophobicContact CD1-CG2 4.16Å; L988-V992 HydrophobicContact CG-CG2 4.46Å; L988-V992 VanDerWaalsContact O-CG2 3.32Å; L988-V992 WeakPolarHBondContact O-CG2 3.39Å; L988-V992 PolarHBondContact O-N 2.94Å; V989-V992 PolarHBondContact O-N 3.2Å; G990-V992 PolarHBondContact O-N 3.41Å; V992-T996 WeakPolarHBondContact O-CB 3.39Å; V992-T996 PolarHBondContact O-N 3.27Å; V992-T996 PolarHBondContact O-OG1 3.27Å; V992-L1090 HydrophobicContact CB-CD1 4.5Å; V992-L1090 HydrophobicContact CG1-CB 3.92Å; V992-L1090 HydrophobicContact CG1-CD1 4.06Å; V992-L1090 HydrophobicContact CG1-CG 4.5Å; V992-V1093 HydrophobicContact CG2-CG2 4.43Å
993I95Very high92.4Very high0.5 Ų0.531.6 Ų31.60%0.00317%0.165CC..Hα-helixtrans-60.9-52.6169.9-67.7163.7000110V989 G990 L991 V995 T996 C997 L1012 M1025 V1029 L1090V989-I993 HydrophobicContact CG1-CD1 3.95Å; V989-I993 WeakPolarHBondContact O-CG1 3.38Å; V989-I993 PolarHBondContact O-N 3.12Å; G990-I993 PolarHBondContact O-N 3.04Å; L991-I993 VanDerWaalsContact C-N 3.34Å; L991-I993 PolarHBondContact O-N 3.13Å; I993-V995 PolarHBondContact O-N 3.28Å; I993-T996 WeakPolarHBondContact O-CB 3.18Å; I993-T996 PolarHBondContact O-N 2.84Å; I993-T996 VanDerWaalsContact O-N 3.1Å; I993-C997 PolarHBondContact O-N 3.14Å; I993-C997 PolarHBondContact O-SG 3.2Å; I993-L1012 HydrophobicContact CB-CD2 4.1Å; I993-L1012 HydrophobicContact CD1-CB 4.37Å; I993-L1012 HydrophobicContact CD1-CD1 4.26Å; I993-L1012 HydrophobicContact CG2-CB 4.32Å; I993-L1012 HydrophobicContact CG2-CD2 3.89Å; I993-M1025 HydrophobicContact CD1-CE 4.3Å; I993-V1029 HydrophobicContact CD1-CG1 4.04Å; I993-V1029 HydrophobicContact CD1-CG2 4.04Å; I993-V1029 HydrophobicContact CG1-CG1 4.09Å; I993-L1090 HydrophobicContact CG1-CD1 3.64Å; I993-L1090 HydrophobicContact CG1-CD2 4Å; I993-L1090 HydrophobicContact CG1-CG 4.49Å
994I94Very high92.5Very high3.25 Ų3.2531 Ų312%0.01716%0.163CC..Hα-helixtrans-64.2-40.1-179.1-64-68.9000112G990 L991 T996 C997 T998 L1009 L1012 T1252 F1255G990-I994 WeakPolarHBondContact O-CG1 3.39Å; G990-I994 PolarHBondContact O-N 3.26Å; G990-I994 VanDerWaalsContact O-N 3.11Å; L991-I994 PolarHBondContact O-N 3.11Å; I994-T996 VanDerWaalsContact C-N 3.29Å; I994-T996 PolarHBondContact O-N 3.29Å; I994-C997 PolarHBondContact O-N 3Å; I994-T998 HydrophobicContact CG2-CG2 4.28Å; I994-T998 WeakPolarHBondContact O-CB 3.27Å; I994-T998 WeakPolarHBondContact O-CG2 3.19Å; I994-T998 PolarHBondContact O-N 3.16Å; I994-T998 PolarHBondContact O-OG1 2.97Å; I994-L1009 HydrophobicContact CD1-CD1 3.79Å; I994-L1009 HydrophobicContact CD1-CG 4.32Å; I994-L1012 HydrophobicContact CD1-CD2 3.76Å; I994-L1012 HydrophobicContact CG1-CD2 3.66Å; I994-T1252 HydrophobicContact CG2-CG2 4.16Å; I994-F1255 HydrophobicContact CB-CB 4.47Å; I994-F1255 HydrophobicContact CB-CG 4.47Å; I994-F1255 HydrophobicContact CD1-CB 4.36Å; I994-F1255 HydrophobicContact CD1-CD2 4.39Å; I994-F1255 HydrophobicContact CD1-CG 4.38Å; I994-F1255 HydrophobicContact CG1-CB 3.9Å; I994-F1255 HydrophobicContact CG1-CD1 4.37Å; I994-F1255 HydrophobicContact CG1-CD2 3.75Å; I994-F1255 HydrophobicContact CG1-CE2 4.43Å; I994-F1255 HydrophobicContact CG1-CG 3.72Å; I994-F1255 HydrophobicContact CG2-CB 4.26Å
995V93.2Very high92.6Very high51.5 Ų51.528 Ų2831%0.31215%0.15SC..Hα-helixtrans-63.1-35.7173.8170.60000111.4L991 I993 T998 N999L991-V995 HydrophobicContact CD2-CG2 3.93Å; L991-V995 HydrophobicContact CG-CG2 4.46Å; L991-V995 WeakPolarHBondContact O-CB 3.38Å; L991-V995 VanDerWaalsContact O-CG2 3.3Å; L991-V995 WeakPolarHBondContact O-CG2 3.36Å; L991-V995 PolarHBondContact O-N 3.06Å; I993-V995 PolarHBondContact O-N 3.28Å; V995-T998 WeakPolarHBondContact CA-OG1 3.38Å; V995-T998 PolarHBondContact O-N 3.35Å; V995-T998 PolarHBondContact O-OG1 3.11Å; V995-N999 WeakPolarHBondContact CG1-ND2 3.09Å; V995-N999 VanDerWaalsContact O-CB 3.26Å; V995-N999 WeakPolarHBondContact O-CB 3.38Å; V995-N999 PolarHBondContact O-N 3.4Å; V995-N999 PolarHBondContact O-ND2 3.19Å; V995-N999 PolarHBondContact O-OD1 3.03Å
996T93.2Very high92.6Very high3 Ų327.9 Ų27.92%0.01815%0.152CC..Hα-helixtrans-65.3-46.4173.4-56.50000111.2V992 I993 I994 T998 E1000 P1086 Y1087 L1090V992-T996 WeakPolarHBondContact O-CB 3.39Å; V992-T996 PolarHBondContact O-N 3.27Å; V992-T996 PolarHBondContact O-OG1 3.27Å; I993-T996 WeakPolarHBondContact O-CB 3.18Å; I993-T996 PolarHBondContact O-N 2.84Å; I993-T996 VanDerWaalsContact O-N 3.1Å; I994-T996 VanDerWaalsContact C-N 3.29Å; I994-T996 PolarHBondContact O-N 3.29Å; T996-T998 VanDerWaalsContact C-N 3.32Å; T996-T998 PolarHBondContact O-N 3.14Å; T996-E1000 PolarHBondContact O-N 3.15Å; T996-P1086 HydrophobicContact CG2-CB 4.2Å; T996-Y1087 HydrophobicContact CG2-CD1 3.89Å; T996-Y1087 HydrophobicContact CG2-CD2 4.3Å; T996-Y1087 HydrophobicContact CG2-CE1 3.69Å; T996-Y1087 HydrophobicContact CG2-CE2 4.24Å; T996-Y1087 HydrophobicContact CG2-CG 4.25Å; T996-L1090 HydrophobicContact CG2-CD2 4.44Å
997C93.3Very high92.6Very high1.75 Ų1.7529.2 Ų29.21%0.01216%0.16CC..Hα-helixtrans-65.2-31.1177.3-59.20000113.6I993 I994 E1000 N1005 Y1207I993-C997 PolarHBondContact O-N 3.14Å; I993-C997 PolarHBondContact O-SG 3.2Å; I994-C997 PolarHBondContact O-N 3Å; C997-E1000 CarbonylContact O-C 3.56Å; C997-E1000 VanDerWaalsContact O-O 3.12Å; C997-N1005 HydrophobicContact CB-CB 4.35Å; C997-Y1207 HydrophobicContact CB-CD2 4.43Å; C997-Y1207 HydrophobicContact CB-CE2 3.84Å; C997-Y1207 WeakPolarHBondContact O-CE2 3.45Å
998T91Very high92.6Very high18.25 Ų18.2526.1 Ų26.111%0.11215%0.147CC..Hα-helixtrans-89.3-24.8-178.150.80000113.6I994 V995 T996 A1248 L1251 T1252I994-T998 HydrophobicContact CG2-CG2 4.28Å; I994-T998 WeakPolarHBondContact O-CB 3.27Å; I994-T998 WeakPolarHBondContact O-CG2 3.19Å; I994-T998 PolarHBondContact O-N 3.16Å; I994-T998 PolarHBondContact O-OG1 2.97Å; V995-T998 WeakPolarHBondContact CA-OG1 3.38Å; V995-T998 PolarHBondContact O-N 3.35Å; V995-T998 PolarHBondContact O-OG1 3.11Å; T996-T998 VanDerWaalsContact C-N 3.32Å; T996-T998 PolarHBondContact O-N 3.14Å; T998-A1248 HydrophobicContact CG2-CB 4.38Å; T998-A1248 WeakPolarHBondContact CG2-O 3.4Å; T998-L1251 HydrophobicContact CG2-CB 4.2Å; T998-T1252 HydrophobicContact CG2-CG2 4.23Å
999N89.7Confident92.6Very high107.75 Ų107.7522.9 Ų22.958%0.57613%0.131SC*.Hα-helixtrans-75.2-34.1171-72.6-11.2000112.6V995V995-N999 WeakPolarHBondContact CG1-ND2 3.09Å; V995-N999 VanDerWaalsContact O-CB 3.26Å; V995-N999 WeakPolarHBondContact O-CB 3.38Å; V995-N999 PolarHBondContact O-N 3.4Å; V995-N999 PolarHBondContact O-ND2 3.19Å; V995-N999 PolarHBondContact O-OD1 3.03Å
1000E89.5Confident92.6Very high28.5 Ų28.525.9 Ų25.913%0.13315%0.146CC..SBendtrans-131.2102173.1-168.2-161.1113.500110.2T996 C997 S1002 N1005 K1040 G1073 Y1083 Y1087T996-E1000 PolarHBondContact O-N 3.15Å; C997-E1000 CarbonylContact O-C 3.56Å; C997-E1000 VanDerWaalsContact O-O 3.12Å; E1000-S1002 PolarHBondContact O-N 3.24Å; E1000-S1002 VanDerWaalsContact O-N 3.13Å; E1000-S1002 WeakPolarHBondContact OE1-CB 3.34Å; E1000-S1002 PolarHBondContact OE1-OG 3.25Å; E1000-N1005 PolarHBondContact O-ND2 3.23Å; E1000-K1040 IonicContact OE1-NZ 3.18Å; E1000-K1040 PolarHBondContact OE1-NZ 3.13Å; E1000-K1040 IonicContact OE2-NZ 3Å; E1000-K1040 PolarHBondContact OE2-NZ 3.2Å; E1000-G1073 WeakPolarHBondContact OE1-CA 3.32Å; E1000-Y1083 VanDerWaalsContact OE2-CE2 3.24Å; E1000-Y1083 WeakPolarHBondContact OE2-CE2 3.38Å; E1000-Y1087 PolarHBondContact OE1-OH 3.18Å
1001V90Very high92.6Very high58 Ų5828.6 Ų28.635%0.35216%0.158SC..  trans-76.697.7176.6-175.90000108.9Y1207 C1210 V1211 A1248V1001-Y1207 HydrophobicContact CG1-CE2 4.38Å; V1001-C1210 HydrophobicContact CG1-CB 3.84Å; V1001-V1211 HydrophobicContact CG1-CB 4.45Å; V1001-V1211 HydrophobicContact CG1-CG2 3.7Å; V1001-A1248 HydrophobicContact CG2-CB 3.46Å; V1001-A1248 VanDerWaalsContact CG2-CB 3.46Å
1002S91Very high92.6Very high1 Ų125.8 Ų25.81%0.00714%0.143CC..  trans-135.8153.1178.758.90000112.1E1000 T1004 N1005 G1073 Y1207E1000-S1002 PolarHBondContact O-N 3.24Å; E1000-S1002 VanDerWaalsContact O-N 3.13Å; E1000-S1002 WeakPolarHBondContact OE1-CB 3.34Å; E1000-S1002 PolarHBondContact OE1-OG 3.25Å; S1002-T1004 VanDerWaalsContact C-N 3.31Å; S1002-T1004 PolarHBondContact O-N 3.09Å; S1002-N1005 WeakPolarHBondContact O-CB 3.35Å; S1002-N1005 PolarHBondContact O-N 3.17Å; S1002-N1005 VanDerWaalsContact OG-CG 3.27Å; S1002-N1005 PolarHBondContact OG-ND2 3.04Å; S1002-N1005 VanDerWaalsContact OG-ND2 3.14Å; S1002-G1073 VanDerWaalsContact CB-CA 3.47Å; S1002-Y1207 PolarHBondContact N-OH 3.12Å; S1002-Y1207 WeakPolarHBondContact O-CE1 3.47Å; S1002-Y1207 PolarHBondContact O-OH 3.25Å
1003A91.1Very high92.6Very high14.6 Ų14.625.1 Ų25.112%0.12114%0.139CC..THydrogen-bonded Turntrans-62.2-35.7-178.900000112.7N1005 I1006 W1071 V1211A1003-N1005 PolarHBondContact O-N 3.11Å; A1003-I1006 HydrophobicContact CB-CD1 4.38Å; A1003-I1006 VanDerWaalsContact O-CB 3.31Å; A1003-I1006 WeakPolarHBondContact O-CB 3.37Å; A1003-I1006 WeakPolarHBondContact O-CG1 3.41Å; A1003-I1006 WeakPolarHBondContact O-CG2 3.42Å; A1003-I1006 PolarHBondContact O-N 3Å; A1003-I1006 VanDerWaalsContact O-N 3.15Å; A1003-W1071 HydrophobicContact CB-CD2 3.87Å; A1003-W1071 HydrophobicContact CB-CE3 3.68Å; A1003-W1071 HydrophobicContact CB-CH2 3.56Å; A1003-W1071 HydrophobicContact CB-CZ2 3.74Å; A1003-W1071 HydrophobicContact CB-CZ3 3.53Å; A1003-W1071 WeakPolarHBondContact CB-O 3.33Å; A1003-W1071 PolarHBondContact N-O 3.04Å; A1003-V1211 HydrophobicContact CB-CG1 4.04Å
1004T91.5Very high92.5Very high23.4 Ų23.429.9 Ų29.914%0.14416%0.164CC..THydrogen-bonded Turntrans-67.5-22-179.459.20000113.5S1002 I1006 W1032 Q1036 L1072S1002-T1004 VanDerWaalsContact C-N 3.31Å; S1002-T1004 PolarHBondContact O-N 3.09Å; T1004-I1006 VanDerWaalsContact C-N 3.33Å; T1004-I1006 PolarHBondContact O-N 3.32Å; T1004-W1032 PolarHBondContact O-NE1 3.32Å; T1004-Q1036 PolarHBondContact OG1-NE2 3.28Å; T1004-L1072 HydrophobicContact CG2-CB 4.43Å; T1004-L1072 HydrophobicContact CG2-CD1 3.65Å; T1004-L1072 HydrophobicContact CG2-CD2 4.15Å; T1004-L1072 HydrophobicContact CG2-CG 3.96Å; T1004-L1072 VanDerWaalsContact CG2-O 3.26Å; T1004-L1072 WeakPolarHBondContact CG2-O 3.34Å; T1004-L1072 PolarHBondContact OG1-O 3.27Å
1005N93.5Very high92.5Very high1.4 Ų1.430 Ų301%0.00716%0.164CC..Hα-helixtrans-74.8-16.9175.9-77.5-11.3000113.4C997 E1000 S1002 A1003 V1007 S1008 L1009 Q1036 Y1087 Y1207C997-N1005 HydrophobicContact CB-CB 4.35Å; E1000-N1005 PolarHBondContact O-ND2 3.23Å; S1002-N1005 WeakPolarHBondContact O-CB 3.35Å; S1002-N1005 PolarHBondContact O-N 3.17Å; S1002-N1005 VanDerWaalsContact OG-CG 3.27Å; S1002-N1005 PolarHBondContact OG-ND2 3.04Å; S1002-N1005 VanDerWaalsContact OG-ND2 3.14Å; A1003-N1005 PolarHBondContact O-N 3.11Å; N1005-V1007 PolarHBondContact O-N 3.05Å; N1005-S1008 PolarHBondContact O-N 3.02Å; N1005-S1008 VanDerWaalsContact O-N 3.17Å; N1005-L1009 PolarHBondContact O-N 2.81Å; N1005-Q1036 PolarHBondContact OD1-NE2 3.06Å; N1005-Y1087 VanDerWaalsContact CG-OH 3.27Å; N1005-Y1087 PolarHBondContact ND2-OH 3.29Å; N1005-Y1087 WeakPolarHBondContact OD1-CE1 3.32Å; N1005-Y1087 PolarHBondContact OD1-OH 3.23Å; N1005-Y1207 HydrophobicContact CB-CE1 4.41Å; N1005-Y1207 WeakPolarHBondContact CB-OH 3.35Å
1006I93Very high92.4Very high44 Ų4428 Ų2823%0.22615%0.152CC..Hα-helixtrans-60-35.3177.3-120.7170.5000111.7A1003 T1004 S1008 L1009 I1010 Y1207 A1208 V1211A1003-I1006 HydrophobicContact CB-CD1 4.38Å; A1003-I1006 VanDerWaalsContact O-CB 3.31Å; A1003-I1006 WeakPolarHBondContact O-CB 3.37Å; A1003-I1006 WeakPolarHBondContact O-CG1 3.41Å; A1003-I1006 WeakPolarHBondContact O-CG2 3.42Å; A1003-I1006 PolarHBondContact O-N 3Å; A1003-I1006 VanDerWaalsContact O-N 3.15Å; T1004-I1006 VanDerWaalsContact C-N 3.33Å; T1004-I1006 PolarHBondContact O-N 3.32Å; I1006-S1008 PolarHBondContact O-N 3.27Å; I1006-L1009 WeakPolarHBondContact O-CB 3.4Å; I1006-L1009 PolarHBondContact O-N 3.21Å; I1006-I1010 HydrophobicContact CG1-CD1 4.11Å; I1006-I1010 HydrophobicContact CG1-CG1 4.44Å; I1006-I1010 HydrophobicContact CG2-CD1 3.99Å; I1006-I1010 HydrophobicContact CG2-CG1 4.3Å; I1006-I1010 VanDerWaalsContact O-CG1 3.31Å; I1006-I1010 WeakPolarHBondContact O-CG1 3.38Å; I1006-I1010 PolarHBondContact O-N 3.42Å; I1006-Y1207 HydrophobicContact CB-CD1 4.19Å; I1006-Y1207 HydrophobicContact CB-CE1 4.17Å; I1006-Y1207 HydrophobicContact CD1-CD1 4.18Å; I1006-Y1207 HydrophobicContact CG1-CD1 3.75Å; I1006-Y1207 HydrophobicContact CG1-CE1 3.96Å; I1006-A1208 HydrophobicContact CD1-CB 4.18Å; I1006-V1211 HydrophobicContact CD1-CG1 4.5Å; I1006-V1211 HydrophobicContact CG1-CG2 4.49Å
1007V93.3Very high92.3Very high40 Ų4028.3 Ų28.324%0.24215%0.153CC..Hα-helixtrans-63.1-46-179-178.50000110.9N1005 L1009 I1010 F1011 F1028 W1032N1005-V1007 PolarHBondContact O-N 3.05Å; V1007-L1009 VanDerWaalsContact C-N 3.29Å; V1007-L1009 PolarHBondContact O-N 2.99Å; V1007-I1010 PolarHBondContact O-N 3.33Å; V1007-F1011 HydrophobicContact CG1-CD2 4.17Å; V1007-F1011 HydrophobicContact CG1-CE2 4.26Å; V1007-F1011 WeakPolarHBondContact O-CD2 3.38Å; V1007-F1011 PolarHBondContact O-N 3.14Å; V1007-F1011 VanDerWaalsContact O-N 3.12Å; V1007-F1028 HydrophobicContact CG1-CE1 4.07Å; V1007-F1028 HydrophobicContact CG1-CZ 4.19Å; V1007-W1032 HydrophobicContact CB-CD2 4.38Å; V1007-W1032 HydrophobicContact CB-CZ2 3.93Å; V1007-W1032 HydrophobicContact CG1-CD2 4.1Å; V1007-W1032 HydrophobicContact CG1-CE3 4.39Å; V1007-W1032 HydrophobicContact CG1-CG 4.49Å; V1007-W1032 HydrophobicContact CG1-CZ2 4.28Å; V1007-W1032 HydrophobicContact CG2-CH2 4.16Å; V1007-W1032 HydrophobicContact CG2-CZ2 3.67Å
1008S92.7Very high92.1Very high3 Ų331.2 Ų31.22%0.02117%0.166CC..Hα-helixtrans-62-37176.4-60.90000112.4N1005 I1006 L1012 W1032N1005-S1008 PolarHBondContact O-N 3.02Å; N1005-S1008 VanDerWaalsContact O-N 3.17Å; I1006-S1008 PolarHBondContact O-N 3.27Å; S1008-L1012 WeakPolarHBondContact O-CB 3.33Å; S1008-L1012 PolarHBondContact O-N 3Å; S1008-W1032 VanDerWaalsContact OG-CD1 3.28Å
1009L93.8Very high92Very high0.4 Ų0.432.6 Ų32.60%0.00218%0.175CC..Hα-helixtrans-69.6-41.9178.5-177.3119000112.1I994 N1005 I1006 V1007 L1012 V1013 I1203 P1204 Y1207 L1251I994-L1009 HydrophobicContact CD1-CD1 3.79Å; I994-L1009 HydrophobicContact CD1-CG 4.32Å; N1005-L1009 PolarHBondContact O-N 2.81Å; I1006-L1009 WeakPolarHBondContact O-CB 3.4Å; I1006-L1009 PolarHBondContact O-N 3.21Å; V1007-L1009 VanDerWaalsContact C-N 3.29Å; V1007-L1009 PolarHBondContact O-N 2.99Å; L1009-L1012 PolarHBondContact O-N 3.09Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.37Å; L1009-V1013 PolarHBondContact O-N 2.94Å; L1009-I1203 HydrophobicContact CD1-CG2 3.93Å; L1009-I1203 HydrophobicContact CD2-CG2 4.1Å; L1009-I1203 HydrophobicContact CG-CG2 4.16Å; L1009-P1204 HydrophobicContact CD2-CB 3.92Å; L1009-P1204 HydrophobicContact CD2-CG 3.71Å; L1009-Y1207 HydrophobicContact CD1-CD2 4.06Å; L1009-Y1207 HydrophobicContact CD1-CG 3.95Å; L1009-Y1207 HydrophobicContact CD2-CD1 3.81Å; L1009-Y1207 HydrophobicContact CD2-CD2 4.37Å; L1009-Y1207 HydrophobicContact CD2-CG 3.56Å; L1009-L1251 HydrophobicContact CD1-CD2 4.25Å; L1009-L1251 HydrophobicContact CD2-CD2 4.34Å
1010I94.3Very high91.9Very high63.2 Ų63.235.5 Ų35.532%0.32418%0.179SC..Hα-helixtrans-61.5-47.9175-70.7167000110.7I1006 V1007 L1012 V1013 I1014 P1204I1006-I1010 HydrophobicContact CG1-CD1 4.11Å; I1006-I1010 HydrophobicContact CG1-CG1 4.44Å; I1006-I1010 HydrophobicContact CG2-CD1 3.99Å; I1006-I1010 HydrophobicContact CG2-CG1 4.3Å; I1006-I1010 VanDerWaalsContact O-CG1 3.31Å; I1006-I1010 WeakPolarHBondContact O-CG1 3.38Å; I1006-I1010 PolarHBondContact O-N 3.42Å; V1007-I1010 PolarHBondContact O-N 3.33Å; I1010-L1012 PolarHBondContact O-N 3.09Å; I1010-V1013 PolarHBondContact O-N 3.21Å; I1010-I1014 HydrophobicContact CG2-CD1 3.67Å; I1010-I1014 HydrophobicContact CG2-CG1 4.47Å; I1010-I1014 WeakPolarHBondContact O-CB 3.41Å; I1010-I1014 WeakPolarHBondContact O-CG1 3.37Å; I1010-I1014 PolarHBondContact O-N 3.12Å; I1010-P1204 HydrophobicContact CG1-CB 4.22Å; I1010-P1204 HydrophobicContact CG1-CG 4.22Å
1011F93.6Very high92.1Very high55 Ų5536.3 Ų36.324%0.24119%0.185CC..Hα-helixtrans-65.4-37.6178.5-88.4-99.3000112.8V1007 C1015 F1024 F1028V1007-F1011 HydrophobicContact CG1-CD2 4.17Å; V1007-F1011 HydrophobicContact CG1-CE2 4.26Å; V1007-F1011 WeakPolarHBondContact O-CD2 3.38Å; V1007-F1011 PolarHBondContact O-N 3.14Å; V1007-F1011 VanDerWaalsContact O-N 3.12Å; F1011-C1015 VanDerWaalsContact O-CB 3.28Å; F1011-C1015 WeakPolarHBondContact O-CB 3.39Å; F1011-C1015 PolarHBondContact O-N 3.21Å; F1011-C1015 PolarHBondContact O-SG 3.29Å; F1011-C1015 VanDerWaalsContact O-SG 3.35Å; F1011-F1024 HydrophobicContact CD1-CE1 4.4Å; F1011-F1024 AromaticContact CE1-CE1 3.96Å; F1011-F1024 HydrophobicContact CE1-CE1 3.96Å; F1011-F1024 HydrophobicContact CE1-CZ 4.38Å; F1011-F1028 HydrophobicContact CB-CD1 4.16Å; F1011-F1028 HydrophobicContact CB-CE1 4.36Å; F1011-F1028 HydrophobicContact CD1-CB 4.45Å; F1011-F1028 AromaticContact CD1-CD1 3.49Å; F1011-F1028 HydrophobicContact CD1-CD1 3.49Å; F1011-F1028 VanDerWaalsContact CD1-CD1 3.47Å; F1011-F1028 HydrophobicContact CD1-CD2 4.48Å; F1011-F1028 AromaticContact CD1-CE1 3.81Å; F1011-F1028 HydrophobicContact CD1-CE1 3.81Å; F1011-F1028 AromaticContact CD1-CG 3.88Å; F1011-F1028 HydrophobicContact CD1-CG 3.88Å; F1011-F1028 HydrophobicContact CD1-CZ 4.44Å; F1011-F1028 AromaticContact CD2-CD1 3.94Å; F1011-F1028 HydrophobicContact CD2-CD1 3.94Å; F1011-F1028 AromaticContact CD2-CE1 3.41Å; F1011-F1028 HydrophobicContact CD2-CE1 3.41Å; F1011-F1028 VanDerWaalsContact CD2-CE1 3.44Å; F1011-F1028 AromaticContact CD2-CZ 3.93Å; F1011-F1028 HydrophobicContact CD2-CZ 3.97Å; F1011-F1028 AromaticContact CE1-CD1 3.74Å; F1011-F1028 HydrophobicContact CE1-CD1 3.74Å; F1011-F1028 AromaticContact CE1-CD2 3.95Å; F1011-F1028 HydrophobicContact CE1-CD2 3.97Å; F1011-F1028 AromaticContact CE1-CE1 3.85Å; F1011-F1028 HydrophobicContact CE1-CE1 3.85Å; F1011-F1028 HydrophobicContact CE1-CE2 4.06Å; F1011-F1028 AromaticContact CE1-CG 3.81Å; F1011-F1028 HydrophobicContact CE1-CG 3.81Å; F1011-F1028 AromaticContact CE1-CZ 3.98Å; F1011-F1028 HydrophobicContact CE1-CZ 4.01Å; F1011-F1028 HydrophobicContact CE2-CD1 4.17Å; F1011-F1028 AromaticContact CE2-CE1 3.46Å; F1011-F1028 HydrophobicContact CE2-CE1 3.46Å; F1011-F1028 VanDerWaalsContact CE2-CE1 3.46Å; F1011-F1028 HydrophobicContact CE2-CE2 4.23Å; F1011-F1028 AromaticContact CE2-CZ 3.5Å; F1011-F1028 HydrophobicContact CE2-CZ 3.5Å; F1011-F1028 VanDerWaalsContact CE2-CZ 3.49Å; F1011-F1028 AromaticContact CG-CD1 3.58Å; F1011-F1028 HydrophobicContact CG-CD1 3.58Å; F1011-F1028 AromaticContact CG-CE1 3.58Å; F1011-F1028 HydrophobicContact CG-CE1 3.58Å; F1011-F1028 HydrophobicContact CG-CG 4.42Å; F1011-F1028 HydrophobicContact CG-CZ 4.41Å; F1011-F1028 AromaticContact CZ-CD1 3.98Å; F1011-F1028 HydrophobicContact CZ-CD1 4.07Å; F1011-F1028 HydrophobicContact CZ-CD2 4.16Å; F1011-F1028 AromaticContact CZ-CE1 3.68Å; F1011-F1028 HydrophobicContact CZ-CE1 3.68Å; F1011-F1028 AromaticContact CZ-CE2 3.77Å; F1011-F1028 HydrophobicContact CZ-CE2 3.77Å; F1011-F1028 HydrophobicContact CZ-CG 4.31Å; F1011-F1028 AromaticContact CZ-CZ 3.52Å; F1011-F1028 HydrophobicContact CZ-CZ 3.52Å; F1011-F1028 VanDerWaalsContact CZ-CZ 3.48Å
1012L94.3Very high92.2Very high0.6 Ų0.634.5 Ų34.50%0.00317%0.172CC..Hα-helixtrans-57-54.5171.8170.461.8000110.8I993 I994 S1008 L1009 I1010 I1014 C1015 F1016 M1025 F1255I993-L1012 HydrophobicContact CB-CD2 4.1Å; I993-L1012 HydrophobicContact CD1-CB 4.37Å; I993-L1012 HydrophobicContact CD1-CD1 4.26Å; I993-L1012 HydrophobicContact CG2-CB 4.32Å; I993-L1012 HydrophobicContact CG2-CD2 3.89Å; I994-L1012 HydrophobicContact CD1-CD2 3.76Å; I994-L1012 HydrophobicContact CG1-CD2 3.66Å; S1008-L1012 WeakPolarHBondContact O-CB 3.33Å; S1008-L1012 PolarHBondContact O-N 3Å; L1009-L1012 PolarHBondContact O-N 3.09Å; I1010-L1012 PolarHBondContact O-N 3.09Å; L1012-I1014 PolarHBondContact O-N 3.16Å; L1012-C1015 PolarHBondContact O-N 3.26Å; L1012-F1016 HydrophobicContact CD1-CB 4.32Å; L1012-F1016 HydrophobicContact CD1-CD2 4.12Å; L1012-F1016 WeakPolarHBondContact O-CB 3.42Å; L1012-F1016 PolarHBondContact O-N 3.08Å; L1012-M1025 HydrophobicContact CB-CE 4.2Å; L1012-M1025 HydrophobicContact CD1-CE 4.2Å; L1012-M1025 VanDerWaalsContact CD1-CE 3.5Å; L1012-M1025 HydrophobicContact CD1-SD 4.11Å; L1012-M1025 HydrophobicContact CG-CE 4.47Å; L1012-F1255 HydrophobicContact CD1-CE2 4.31Å; L1012-F1255 HydrophobicContact CD2-CD2 4.22Å; L1012-F1255 HydrophobicContact CD2-CE2 4.03Å; L1012-F1255 HydrophobicContact CG-CE2 4.46Å
1013V94.2Very high92.1Very high8.8 Ų8.835.6 Ų35.65%0.05318%0.184CC..Hα-helixtrans-62.1-43.9-176.1167.40000111.9L1009 I1010 P1017 A1200 I1203 F1258L1009-V1013 WeakPolarHBondContact O-CG2 3.37Å; L1009-V1013 PolarHBondContact O-N 2.94Å; I1010-V1013 PolarHBondContact O-N 3.21Å; V1013-P1017 VanDerWaalsContact O-CD 3.31Å; V1013-P1017 WeakPolarHBondContact O-CD 3.41Å; V1013-A1200 VanDerWaalsContact CG1-CA 3.46Å; V1013-A1200 HydrophobicContact CG1-CB 3.36Å; V1013-A1200 WeakPolarHBondContact CG1-O 3.44Å; V1013-I1203 HydrophobicContact CG2-CB 4.36Å; V1013-I1203 HydrophobicContact CG2-CG2 4Å; V1013-F1258 HydrophobicContact CB-CE1 4.48Å; V1013-F1258 HydrophobicContact CB-CZ 4.49Å; V1013-F1258 HydrophobicContact CG1-CE1 4.39Å; V1013-F1258 HydrophobicContact CG1-CE2 4.39Å; V1013-F1258 HydrophobicContact CG1-CZ 3.95Å; V1013-F1258 HydrophobicContact CG2-CE1 4.46Å; V1013-F1258 WeakPolarHBondContact O-CZ 3.31Å
1014I93Very high92.2Very high101 Ų10140.6 Ų40.652%0.51820%0.203SC..Hα-helixtrans-68.2-42.6-179.8-67.8172.4000111.6I1010 L1012 F1018I1010-I1014 HydrophobicContact CG2-CD1 3.67Å; I1010-I1014 HydrophobicContact CG2-CG1 4.47Å; I1010-I1014 WeakPolarHBondContact O-CB 3.41Å; I1010-I1014 WeakPolarHBondContact O-CG1 3.37Å; I1010-I1014 PolarHBondContact O-N 3.12Å; L1012-I1014 PolarHBondContact O-N 3.16Å; I1014-F1018 VanDerWaalsContact O-CD2 3.3Å; I1014-F1018 WeakPolarHBondContact O-CD2 3.38Å
1015C93Very high92.3Very high4 Ų439.4 Ų39.43%0.02720%0.196CC..Hα-helixtrans-88-26.7-172.4-630000114.5F1011 L1012 P1017 F1018 L1021 H1022 M1025F1011-C1015 VanDerWaalsContact O-CB 3.28Å; F1011-C1015 WeakPolarHBondContact O-CB 3.39Å; F1011-C1015 PolarHBondContact O-N 3.21Å; F1011-C1015 PolarHBondContact O-SG 3.29Å; F1011-C1015 VanDerWaalsContact O-SG 3.35Å; L1012-C1015 PolarHBondContact O-N 3.26Å; C1015-P1017 VanDerWaalsContact C-CD 3.49Å; C1015-F1018 PolarHBondContact O-N 3.17Å; C1015-F1018 VanDerWaalsContact O-N 3.08Å; C1015-L1021 HydrophobicContact CB-CB 3.93Å; C1015-L1021 HydrophobicContact CB-CD1 4.49Å; C1015-H1022 PolarHBondContact O-CD2 3.39Å; C1015-M1025 HydrophobicContact CB-CB 3.62Å; C1015-M1025 HydrophobicContact CB-CG 3.7Å; C1015-M1025 HydrophobicContact CB-SD 3.94Å
1016F91.9Very high92.3Very high11 Ų1139.4 Ų39.45%0.04820%0.196CC..THydrogen-bonded Turntrans-56.7-40.4-174.2-171.2-90.6000114.9K987 L1012 F1018 H1022 F1255 F1258 A1259 A1262K987-F1016 HydrophobicContact CG-CZ 4.46Å; L1012-F1016 HydrophobicContact CD1-CB 4.32Å; L1012-F1016 HydrophobicContact CD1-CD2 4.12Å; L1012-F1016 WeakPolarHBondContact O-CB 3.42Å; L1012-F1016 PolarHBondContact O-N 3.08Å; F1016-F1018 PolarHBondContact O-N 3.11Å; F1016-H1022 PolarHBondContact O-NE2 3.17Å; F1016-F1255 HydrophobicContact CE2-CZ 4.41Å; F1016-F1258 HydrophobicContact CB-CE1 4.32Å; F1016-F1258 HydrophobicContact CD1-CE1 4.39Å; F1016-A1259 HydrophobicContact CE1-CB 3.83Å; F1016-A1259 HydrophobicContact CZ-CB 3.89Å; F1016-A1262 HydrophobicContact CD1-CB 3.79Å; F1016-A1262 HydrophobicContact CE1-CB 4.05Å
1017P90.5Very high92.3Very high7.6 Ų7.638.3 Ų38.35%0.04919%0.191CC..THydrogen-bonded Turntrans-65.8-19.3177-13.322.5000114.7V1013 C1015 P1019 M1196 F1258 A1262 F1265V1013-P1017 VanDerWaalsContact O-CD 3.31Å; V1013-P1017 WeakPolarHBondContact O-CD 3.41Å; C1015-P1017 VanDerWaalsContact C-CD 3.49Å; P1017-P1019 WeakPolarHBondContact O-CD 3.28Å; P1017-M1196 HydrophobicContact CB-CE 4.23Å; P1017-M1196 HydrophobicContact CB-SD 3.9Å; P1017-M1196 HydrophobicContact CG-CE 4.17Å; P1017-M1196 HydrophobicContact CG-SD 3.93Å; P1017-F1258 HydrophobicContact CG-CZ 4.06Å; P1017-A1262 HydrophobicContact CB-CB 4.31Å; P1017-A1262 HydrophobicContact CG-CB 4.15Å; P1017-F1265 HydrophobicContact CB-CD1 4.44Å
1018F90.1Very high92.3Very high64.4 Ų64.438.8 Ų38.828%0.28219%0.19SC..  trans-111.8101.2-169-60.8-66.4000111.7I1014 C1015 F1016 Y1020 L1021 H1022 F1265I1014-F1018 VanDerWaalsContact O-CD2 3.3Å; I1014-F1018 WeakPolarHBondContact O-CD2 3.38Å; C1015-F1018 PolarHBondContact O-N 3.17Å; C1015-F1018 VanDerWaalsContact O-N 3.08Å; F1016-F1018 PolarHBondContact O-N 3.11Å; F1018-Y1020 HydrophobicContact CB-CD1 4.29Å; F1018-Y1020 HydrophobicContact CB-CE1 3.76Å; F1018-Y1020 HydrophobicContact CB-CE2 4.36Å; F1018-Y1020 AromaticContact CD1-CE1 3.9Å; F1018-Y1020 HydrophobicContact CD1-CE1 3.9Å; F1018-Y1020 AromaticContact CD1-CZ 3.93Å; F1018-Y1020 WeakPolarHBondContact CD1-OH 3.29Å; F1018-Y1020 HydrophobicContact CG-CE1 4.2Å; F1018-Y1020 AromaticContact CG-CZ 3.95Å; F1018-Y1020 PolarHBondContact O-N 2.91Å; F1018-Y1020 VanDerWaalsContact O-N 3.11Å; F1018-L1021 HydrophobicContact CB-CB 4.26Å; F1018-L1021 HydrophobicContact CB-CD1 3.95Å; F1018-L1021 HydrophobicContact CB-CG 3.97Å; F1018-L1021 HydrophobicContact CD2-CD1 4.13Å; F1018-L1021 HydrophobicContact CG-CD1 4.36Å; F1018-L1021 PolarHBondContact O-N 3.2Å; F1018-H1022 PolarHBondContact O-CD2 3.02Å; F1018-H1022 VanDerWaalsContact O-CD2 3.28Å; F1018-F1265 HydrophobicContact CE1-CE1 4.42Å
1019P87.1Confident92.4Very high47.2 Ų47.238.7 Ų38.731%0.30619%0.189SC..G310 helixtrans-62.6-25.5-172.124.3-34.5000114.5P1017 L1021 H1022P1017-P1019 WeakPolarHBondContact O-CD 3.28Å; P1019-L1021 VanDerWaalsContact C-N 3.29Å; P1019-L1021 PolarHBondContact O-N 3.03Å; P1019-H1022 WeakPolarHBondContact O-CB 3.33Å; P1019-H1022 PolarHBondContact O-N 3.11Å
1020Y88.7Confident92.5Very high168.2 Ų168.238.7 Ų38.766%0.6619%0.189SC*.G310 helixtrans-71.4-21.2174.358.1-89.8000113.3F1018F1018-Y1020 HydrophobicContact CB-CD1 4.29Å; F1018-Y1020 HydrophobicContact CB-CE1 3.76Å; F1018-Y1020 HydrophobicContact CB-CE2 4.36Å; F1018-Y1020 AromaticContact CD1-CE1 3.9Å; F1018-Y1020 HydrophobicContact CD1-CE1 3.9Å; F1018-Y1020 AromaticContact CD1-CZ 3.93Å; F1018-Y1020 WeakPolarHBondContact CD1-OH 3.29Å; F1018-Y1020 HydrophobicContact CG-CE1 4.2Å; F1018-Y1020 AromaticContact CG-CZ 3.95Å; F1018-Y1020 PolarHBondContact O-N 2.91Å; F1018-Y1020 VanDerWaalsContact O-N 3.11Å
1021L92.6Very high92.5Very high46.4 Ų46.439.2 Ų39.224%0.24319%0.192CC..G310 helixtrans-88.3-8.5175.2-60.9-176.2000113.3C1015 F1018 P1019 G1023 F1024 M1025C1015-L1021 HydrophobicContact CB-CB 3.93Å; C1015-L1021 HydrophobicContact CB-CD1 4.49Å; F1018-L1021 HydrophobicContact CB-CB 4.26Å; F1018-L1021 HydrophobicContact CB-CD1 3.95Å; F1018-L1021 HydrophobicContact CB-CG 3.97Å; F1018-L1021 HydrophobicContact CD2-CD1 4.13Å; F1018-L1021 HydrophobicContact CG-CD1 4.36Å; F1018-L1021 PolarHBondContact O-N 3.2Å; P1019-L1021 VanDerWaalsContact C-N 3.29Å; P1019-L1021 PolarHBondContact O-N 3.03Å; L1021-G1023 VanDerWaalsContact C-N 3.3Å; L1021-G1023 PolarHBondContact O-N 3.17Å; L1021-F1024 WeakPolarHBondContact O-CB 3.35Å; L1021-F1024 PolarHBondContact O-N 3.35Å; L1021-F1024 VanDerWaalsContact O-N 3.12Å; L1021-M1025 WeakPolarHBondContact O-CB 3.32Å; L1021-M1025 PolarHBondContact O-N 3.06Å
1022H92.1Very high92.6Very high19.2 Ų19.240.1 Ų40.19%0.08919%0.194CC..Hα-helixtrans-59.8-37.3-175.6-69.1179.8000113.1I986 C1015 F1016 F1018 P1019 T1026 W1097I986-H1022 HydrophobicContact CD1-CB 3.92Å; I986-H1022 HydrophobicContact CG1-CB 4.21Å; C1015-H1022 PolarHBondContact O-CD2 3.39Å; F1016-H1022 PolarHBondContact O-NE2 3.17Å; F1018-H1022 PolarHBondContact O-CD2 3.02Å; F1018-H1022 VanDerWaalsContact O-CD2 3.28Å; P1019-H1022 WeakPolarHBondContact O-CB 3.33Å; P1019-H1022 PolarHBondContact O-N 3.11Å; H1022-T1026 WeakPolarHBondContact O-CG2 3.39Å; H1022-T1026 PolarHBondContact O-N 3.15Å; H1022-T1026 VanDerWaalsContact O-N 3.09Å; H1022-T1026 PolarHBondContact O-OG1 3.15Å; H1022-T1026 VanDerWaalsContact O-OG1 3.09Å; H1022-W1097 HydrophobicContact CB-CZ2 4.08Å
1023G90.4Very high92.6Very high24.2 Ų24.240.1 Ų40.125%0.24919%0.194CC..Hα-helixtrans-72.5-30.4174.900000114.3L1021 T1026 T1027 W1097L1021-G1023 VanDerWaalsContact C-N 3.3Å; L1021-G1023 PolarHBondContact O-N 3.17Å; G1023-T1026 WeakPolarHBondContact CA-OG1 3.31Å; G1023-T1026 PolarHBondContact O-OG1 3.18Å; G1023-T1027 WeakPolarHBondContact O-CB 3.39Å; G1023-T1027 PolarHBondContact O-N 3Å; G1023-T1027 PolarHBondContact O-OG1 2.83Å; G1023-T1027 VanDerWaalsContact O-OG1 3.11Å; G1023-W1097 VanDerWaalsContact CA-CH2 3.46Å
1024F92.7Very high92.5Very high118.8 Ų118.839.9 Ų39.952%0.52119%0.193SC..Hα-helixtrans-72.1-47173.1174.8-106000110.7F1011 L1021 T1026 T1027 F1028F1011-F1024 HydrophobicContact CD1-CE1 4.4Å; F1011-F1024 AromaticContact CE1-CE1 3.96Å; F1011-F1024 HydrophobicContact CE1-CE1 3.96Å; F1011-F1024 HydrophobicContact CE1-CZ 4.38Å; L1021-F1024 WeakPolarHBondContact O-CB 3.35Å; L1021-F1024 PolarHBondContact O-N 3.35Å; L1021-F1024 VanDerWaalsContact O-N 3.12Å; F1024-T1026 PolarHBondContact O-N 3.12Å; F1024-T1027 PolarHBondContact O-N 3.24Å; F1024-F1028 WeakPolarHBondContact O-CB 3.32Å; F1024-F1028 PolarHBondContact O-N 3.37Å
1025M93.2Very high92.6Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-57.1-49.3177.7-171.4-159.194.600112.4I986 V989 I993 L1012 C1015 L1021 T1027 F1028 V1029I986-M1025 HydrophobicContact CD1-CE 3.67Å; V989-M1025 HydrophobicContact CG1-CE 3.77Å; I993-M1025 HydrophobicContact CD1-CE 4.3Å; L1012-M1025 HydrophobicContact CB-CE 4.2Å; L1012-M1025 HydrophobicContact CD1-CE 4.2Å; L1012-M1025 VanDerWaalsContact CD1-CE 3.5Å; L1012-M1025 HydrophobicContact CD1-SD 4.11Å; L1012-M1025 HydrophobicContact CG-CE 4.47Å; C1015-M1025 HydrophobicContact CB-CB 3.62Å; C1015-M1025 HydrophobicContact CB-CG 3.7Å; C1015-M1025 HydrophobicContact CB-SD 3.94Å; L1021-M1025 WeakPolarHBondContact O-CB 3.32Å; L1021-M1025 PolarHBondContact O-N 3.06Å; M1025-T1027 VanDerWaalsContact C-N 3.32Å; M1025-T1027 PolarHBondContact O-N 3.24Å; M1025-F1028 PolarHBondContact O-N 3.25Å; M1025-V1029 HydrophobicContact CG-CG2 4.48Å; M1025-V1029 WeakPolarHBondContact O-CB 3.24Å; M1025-V1029 VanDerWaalsContact O-CG2 3.29Å; M1025-V1029 WeakPolarHBondContact O-CG2 3.32Å; M1025-V1029 PolarHBondContact O-N 3.28Å
1026T93.4Very high92.6Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-60.9-41.7179.143.50000112.2I986 V989 H1022 G1023 F1024 F1030 T1094 W1097 H1098I986-T1026 HydrophobicContact CD1-CG2 4.14Å; V989-T1026 HydrophobicContact CG1-CG2 4.16Å; V989-T1026 HydrophobicContact CG2-CG2 4.29Å; H1022-T1026 WeakPolarHBondContact O-CG2 3.39Å; H1022-T1026 PolarHBondContact O-N 3.15Å; H1022-T1026 VanDerWaalsContact O-N 3.09Å; H1022-T1026 PolarHBondContact O-OG1 3.15Å; H1022-T1026 VanDerWaalsContact O-OG1 3.09Å; G1023-T1026 WeakPolarHBondContact CA-OG1 3.31Å; G1023-T1026 PolarHBondContact O-OG1 3.18Å; F1024-T1026 PolarHBondContact O-N 3.12Å; T1026-F1030 VanDerWaalsContact O-CB 3.3Å; T1026-F1030 WeakPolarHBondContact O-CB 3.31Å; T1026-F1030 PolarHBondContact O-N 3.1Å; T1026-T1094 HydrophobicContact CG2-CG2 4.48Å; T1026-W1097 HydrophobicContact CG2-CB 4.35Å; T1026-W1097 HydrophobicContact CG2-CD2 3.9Å; T1026-W1097 HydrophobicContact CG2-CE3 4Å; T1026-W1097 HydrophobicContact CG2-CG 4.05Å; T1026-W1097 WeakPolarHBondContact OG1-CZ3 3.39Å; T1026-H1098 PolarHBondContact OG1-NE2 3.03Å
1027T92.7Very high92.7Very high22.2 Ų22.238.3 Ų38.314%0.13619%0.187CC..Hα-helixtrans-72-40.5179.5-48.80000112Q818 I819 G1023 F1024 M1025 F1030 I1031 H1098Q818-T1027 HydrophobicContact CB-CG2 4.42Å; I819-T1027 HydrophobicContact CG1-CG2 4.26Å; G1023-T1027 WeakPolarHBondContact O-CB 3.39Å; G1023-T1027 PolarHBondContact O-N 3Å; G1023-T1027 PolarHBondContact O-OG1 2.83Å; G1023-T1027 VanDerWaalsContact O-OG1 3.11Å; F1024-T1027 PolarHBondContact O-N 3.24Å; M1025-T1027 VanDerWaalsContact C-N 3.32Å; M1025-T1027 PolarHBondContact O-N 3.24Å; T1027-F1030 PolarHBondContact O-N 3.02Å; T1027-I1031 HydrophobicContact CG2-CD1 4.29Å; T1027-I1031 VanDerWaalsContact O-CG1 3.31Å; T1027-I1031 WeakPolarHBondContact O-CG1 3.36Å; T1027-I1031 PolarHBondContact O-N 3.07Å; T1027-H1098 PolarHBondContact OG1-CE1 3.09Å; T1027-H1098 PolarHBondContact OG1-NE2 3.21Å
1028F94.2Very high92.8Very high50.2 Ų50.239.8 Ų39.822%0.2220%0.195CC..Hα-helixtrans-64.5-47175.2-179.9-89.3000111.8V1007 F1011 F1024 M1025 F1030 I1031 W1032V1007-F1028 HydrophobicContact CG1-CE1 4.07Å; V1007-F1028 HydrophobicContact CG1-CZ 4.19Å; F1011-F1028 HydrophobicContact CB-CD1 4.16Å; F1011-F1028 HydrophobicContact CB-CE1 4.36Å; F1011-F1028 HydrophobicContact CD1-CB 4.45Å; F1011-F1028 AromaticContact CD1-CD1 3.49Å; F1011-F1028 HydrophobicContact CD1-CD1 3.49Å; F1011-F1028 VanDerWaalsContact CD1-CD1 3.47Å; F1011-F1028 HydrophobicContact CD1-CD2 4.48Å; F1011-F1028 AromaticContact CD1-CE1 3.81Å; F1011-F1028 HydrophobicContact CD1-CE1 3.81Å; F1011-F1028 AromaticContact CD1-CG 3.88Å; F1011-F1028 HydrophobicContact CD1-CG 3.88Å; F1011-F1028 HydrophobicContact CD1-CZ 4.44Å; F1011-F1028 AromaticContact CD2-CD1 3.94Å; F1011-F1028 HydrophobicContact CD2-CD1 3.94Å; F1011-F1028 AromaticContact CD2-CE1 3.41Å; F1011-F1028 HydrophobicContact CD2-CE1 3.41Å; F1011-F1028 VanDerWaalsContact CD2-CE1 3.44Å; F1011-F1028 AromaticContact CD2-CZ 3.93Å; F1011-F1028 HydrophobicContact CD2-CZ 3.97Å; F1011-F1028 AromaticContact CE1-CD1 3.74Å; F1011-F1028 HydrophobicContact CE1-CD1 3.74Å; F1011-F1028 AromaticContact CE1-CD2 3.95Å; F1011-F1028 HydrophobicContact CE1-CD2 3.97Å; F1011-F1028 AromaticContact CE1-CE1 3.85Å; F1011-F1028 HydrophobicContact CE1-CE1 3.85Å; F1011-F1028 HydrophobicContact CE1-CE2 4.06Å; F1011-F1028 AromaticContact CE1-CG 3.81Å; F1011-F1028 HydrophobicContact CE1-CG 3.81Å; F1011-F1028 AromaticContact CE1-CZ 3.98Å; F1011-F1028 HydrophobicContact CE1-CZ 4.01Å; F1011-F1028 HydrophobicContact CE2-CD1 4.17Å; F1011-F1028 AromaticContact CE2-CE1 3.46Å; F1011-F1028 HydrophobicContact CE2-CE1 3.46Å; F1011-F1028 VanDerWaalsContact CE2-CE1 3.46Å; F1011-F1028 HydrophobicContact CE2-CE2 4.23Å; F1011-F1028 AromaticContact CE2-CZ 3.5Å; F1011-F1028 HydrophobicContact CE2-CZ 3.5Å; F1011-F1028 VanDerWaalsContact CE2-CZ 3.49Å; F1011-F1028 AromaticContact CG-CD1 3.58Å; F1011-F1028 HydrophobicContact CG-CD1 3.58Å; F1011-F1028 AromaticContact CG-CE1 3.58Å; F1011-F1028 HydrophobicContact CG-CE1 3.58Å; F1011-F1028 HydrophobicContact CG-CG 4.42Å; F1011-F1028 HydrophobicContact CG-CZ 4.41Å; F1011-F1028 AromaticContact CZ-CD1 3.98Å; F1011-F1028 HydrophobicContact CZ-CD1 4.07Å; F1011-F1028 HydrophobicContact CZ-CD2 4.16Å; F1011-F1028 AromaticContact CZ-CE1 3.68Å; F1011-F1028 HydrophobicContact CZ-CE1 3.68Å; F1011-F1028 AromaticContact CZ-CE2 3.77Å; F1011-F1028 HydrophobicContact CZ-CE2 3.77Å; F1011-F1028 HydrophobicContact CZ-CG 4.31Å; F1011-F1028 AromaticContact CZ-CZ 3.52Å; F1011-F1028 HydrophobicContact CZ-CZ 3.52Å; F1011-F1028 VanDerWaalsContact CZ-CZ 3.48Å; F1024-F1028 WeakPolarHBondContact O-CB 3.32Å; F1024-F1028 PolarHBondContact O-N 3.37Å; M1025-F1028 PolarHBondContact O-N 3.25Å; F1028-F1030 VanDerWaalsContact C-N 3.3Å; F1028-F1030 PolarHBondContact O-N 3.09Å; F1028-I1031 PolarHBondContact O-N 3.21Å; F1028-I1031 VanDerWaalsContact O-N 3.14Å; F1028-W1032 HydrophobicContact CE1-CB 4.35Å; F1028-W1032 PolarHBondContact O-N 2.94Å
1029V94.3Very high92.9Very high0 Ų039.1 Ų39.10%020%0.197CC..Hα-helixtrans-62.8-38.5176.5171.10000110.8I993 M1025 W1032 T1033 L1090I993-V1029 HydrophobicContact CD1-CG1 4.04Å; I993-V1029 HydrophobicContact CD1-CG2 4.04Å; I993-V1029 HydrophobicContact CG1-CG1 4.09Å; M1025-V1029 HydrophobicContact CG-CG2 4.48Å; M1025-V1029 WeakPolarHBondContact O-CB 3.24Å; M1025-V1029 VanDerWaalsContact O-CG2 3.29Å; M1025-V1029 WeakPolarHBondContact O-CG2 3.32Å; M1025-V1029 PolarHBondContact O-N 3.28Å; V1029-W1032 PolarHBondContact O-N 3.15Å; V1029-T1033 HydrophobicContact CG1-CG2 4.07Å; V1029-T1033 VanDerWaalsContact O-CB 3.32Å; V1029-T1033 WeakPolarHBondContact O-CB 3.41Å; V1029-T1033 VanDerWaalsContact O-CG2 3.26Å; V1029-T1033 WeakPolarHBondContact O-CG2 3.3Å; V1029-T1033 PolarHBondContact O-N 3.05Å; V1029-T1033 PolarHBondContact O-OG1 3.39Å; V1029-L1090 HydrophobicContact CG1-CD1 4.14Å; V1029-L1090 HydrophobicContact CG1-CD2 4.11Å; V1029-L1090 HydrophobicContact CG1-CG 4.21Å
1030F95.2Very high93.1Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-60.3-44.4172.3176.6-82.7000112I811 M814 L815 Q818 T1026 T1027 F1028 T1033 S1034 L1091 V1095I811-F1030 HydrophobicContact CG2-CE1 4.41Å; M814-F1030 HydrophobicContact CB-CE2 3.78Å; M814-F1030 HydrophobicContact CB-CZ 3.55Å; L815-F1030 HydrophobicContact CB-CE1 3.83Å; L815-F1030 HydrophobicContact CD1-CD1 3.96Å; L815-F1030 HydrophobicContact CD1-CE1 4.04Å; L815-F1030 HydrophobicContact CG-CE1 4.47Å; Q818-F1030 VanDerWaalsContact NE2-CG 3.33Å; Q818-F1030 VanDerWaalsContact OE1-CB 3.3Å; T1026-F1030 VanDerWaalsContact O-CB 3.3Å; T1026-F1030 WeakPolarHBondContact O-CB 3.31Å; T1026-F1030 PolarHBondContact O-N 3.1Å; T1027-F1030 PolarHBondContact O-N 3.02Å; F1028-F1030 VanDerWaalsContact C-N 3.3Å; F1028-F1030 PolarHBondContact O-N 3.09Å; F1030-T1033 PolarHBondContact O-OG1 2.98Å; F1030-S1034 WeakPolarHBondContact CE1-OG 3.33Å; F1030-S1034 WeakPolarHBondContact O-CB 3.22Å; F1030-S1034 PolarHBondContact O-N 3.17Å; F1030-S1034 PolarHBondContact O-OG 3.08Å; F1030-L1091 HydrophobicContact CD2-CG 4.13Å; F1030-L1091 HydrophobicContact CE2-CD1 4.42Å; F1030-L1091 HydrophobicContact CE2-CD2 3.79Å; F1030-L1091 HydrophobicContact CE2-CG 3.62Å; F1030-L1091 HydrophobicContact CZ-CG 4.43Å; F1030-V1095 HydrophobicContact CD2-CG2 4.11Å; F1030-V1095 HydrophobicContact CE2-CG2 3.78Å
1031I95.2Very high93.2Very high73.4 Ų73.429.2 Ų29.238%0.37615%0.153SC..Hα-helixtrans-63.5-49.3177.2-68.5162.7000110.7L815 T1027 F1028 S1034 V1035L815-I1031 HydrophobicContact CD1-CD1 4.01Å; L815-I1031 HydrophobicContact CD1-CG1 3.55Å; T1027-I1031 HydrophobicContact CG2-CD1 4.29Å; T1027-I1031 VanDerWaalsContact O-CG1 3.31Å; T1027-I1031 WeakPolarHBondContact O-CG1 3.36Å; T1027-I1031 PolarHBondContact O-N 3.07Å; F1028-I1031 PolarHBondContact O-N 3.21Å; F1028-I1031 VanDerWaalsContact O-N 3.14Å; I1031-S1034 WeakPolarHBondContact O-CB 3.37Å; I1031-S1034 PolarHBondContact O-N 3.1Å; I1031-V1035 WeakPolarHBondContact O-CG2 3.36Å; I1031-V1035 PolarHBondContact O-N 3.09Å
1032W95.4Very high93Very high74.6 Ų74.630.1 Ų30.128%0.28316%0.161SC..Hα-helixtrans-62.3-47.5-178.9-173.3-102000112.2T1004 V1007 S1008 F1028 V1029 S1034 V1035 Q1036T1004-W1032 PolarHBondContact O-NE1 3.32Å; V1007-W1032 HydrophobicContact CB-CD2 4.38Å; V1007-W1032 HydrophobicContact CB-CZ2 3.93Å; V1007-W1032 HydrophobicContact CG1-CD2 4.1Å; V1007-W1032 HydrophobicContact CG1-CE3 4.39Å; V1007-W1032 HydrophobicContact CG1-CG 4.49Å; V1007-W1032 HydrophobicContact CG1-CZ2 4.28Å; V1007-W1032 HydrophobicContact CG2-CH2 4.16Å; V1007-W1032 HydrophobicContact CG2-CZ2 3.67Å; S1008-W1032 VanDerWaalsContact OG-CD1 3.28Å; F1028-W1032 HydrophobicContact CE1-CB 4.35Å; F1028-W1032 PolarHBondContact O-N 2.94Å; V1029-W1032 PolarHBondContact O-N 3.15Å; W1032-S1034 VanDerWaalsContact C-N 3.31Å; W1032-S1034 PolarHBondContact O-N 3.31Å; W1032-V1035 WeakPolarHBondContact O-CB 3.38Å; W1032-V1035 PolarHBondContact O-N 3.17Å; W1032-V1035 VanDerWaalsContact O-N 3.16Å; W1032-Q1036 VanDerWaalsContact CD1-OE1 3.28Å; W1032-Q1036 WeakPolarHBondContact O-CG 3.31Å; W1032-Q1036 PolarHBondContact O-N 3.2Å
1033T93.6Very high92.8Very high0.6 Ų0.631.2 Ų31.20%0.00417%0.165CC..Hα-helixtrans-66.5-32.9177.454.80000112.3V1029 F1030 Q1036 I1037 Y1087 L1090V1029-T1033 HydrophobicContact CG1-CG2 4.07Å; V1029-T1033 VanDerWaalsContact O-CB 3.32Å; V1029-T1033 WeakPolarHBondContact O-CB 3.41Å; V1029-T1033 VanDerWaalsContact O-CG2 3.26Å; V1029-T1033 WeakPolarHBondContact O-CG2 3.3Å; V1029-T1033 PolarHBondContact O-N 3.05Å; V1029-T1033 PolarHBondContact O-OG1 3.39Å; F1030-T1033 PolarHBondContact O-OG1 2.98Å; T1033-Q1036 PolarHBondContact O-N 3.09Å; T1033-I1037 WeakPolarHBondContact O-CB 3.4Å; T1033-I1037 WeakPolarHBondContact O-CD1 3.3Å; T1033-I1037 WeakPolarHBondContact O-CG1 3.35Å; T1033-I1037 PolarHBondContact O-N 3.3Å; T1033-Y1087 HydrophobicContact CG2-CD1 4.46Å; T1033-L1090 HydrophobicContact CG2-CD2 3.61Å; T1033-L1090 HydrophobicContact CG2-CG 4.1Å
1034S94.1Very high92.7Very high4.6 Ų4.631.4 Ų31.43%0.03216%0.16CC..Hα-helixtrans-62.5-42.6171.1-660000112.1F1030 I1031 W1032 I1037 L1038F1030-S1034 WeakPolarHBondContact CE1-OG 3.33Å; F1030-S1034 WeakPolarHBondContact O-CB 3.22Å; F1030-S1034 PolarHBondContact O-N 3.17Å; F1030-S1034 PolarHBondContact O-OG 3.08Å; I1031-S1034 WeakPolarHBondContact O-CB 3.37Å; I1031-S1034 PolarHBondContact O-N 3.1Å; W1032-S1034 VanDerWaalsContact C-N 3.31Å; W1032-S1034 PolarHBondContact O-N 3.31Å; S1034-I1037 PolarHBondContact O-N 3.21Å; S1034-L1038 WeakPolarHBondContact O-CB 3.16Å; S1034-L1038 VanDerWaalsContact O-CG 3.3Å; S1034-L1038 WeakPolarHBondContact O-CG 3.38Å; S1034-L1038 PolarHBondContact O-N 2.98Å
1035V94.3Very high92.4Very high73 Ų7326.9 Ų26.944%0.44214%0.141SC..Hα-helixtrans-63.7-47173.2173.20000110.7I1031 W1032 I1037 L1038 C1039I1031-V1035 WeakPolarHBondContact O-CG2 3.36Å; I1031-V1035 PolarHBondContact O-N 3.09Å; W1032-V1035 WeakPolarHBondContact O-CB 3.38Å; W1032-V1035 PolarHBondContact O-N 3.17Å; W1032-V1035 VanDerWaalsContact O-N 3.16Å; V1035-I1037 VanDerWaalsContact C-N 3.34Å; V1035-I1037 PolarHBondContact O-N 3.2Å; V1035-L1038 PolarHBondContact O-N 3.25Å; V1035-C1039 WeakPolarHBondContact O-CB 3.37Å; V1035-C1039 PolarHBondContact O-N 2.93Å; V1035-C1039 PolarHBondContact O-SG 3.14Å; V1035-C1039 VanDerWaalsContact O-SG 3.35Å
1036Q93.3Very high91.6Very high6.4 Ų6.429.4 Ų29.43%0.0316%0.159CC..Hα-helixtrans-57.6-43.3176.3-70.5178.4-64.500112.3T1004 N1005 W1032 T1033 C1039 K1040 Y1087T1004-Q1036 PolarHBondContact OG1-NE2 3.28Å; N1005-Q1036 PolarHBondContact OD1-NE2 3.06Å; W1032-Q1036 VanDerWaalsContact CD1-OE1 3.28Å; W1032-Q1036 WeakPolarHBondContact O-CG 3.31Å; W1032-Q1036 PolarHBondContact O-N 3.2Å; T1033-Q1036 PolarHBondContact O-N 3.09Å; Q1036-C1039 PolarHBondContact O-N 3.18Å; Q1036-K1040 VanDerWaalsContact O-CB 3.3Å; Q1036-K1040 WeakPolarHBondContact O-CB 3.29Å; Q1036-K1040 VanDerWaalsContact O-CG 3.28Å; Q1036-K1040 WeakPolarHBondContact O-CG 3.47Å; Q1036-K1040 PolarHBondContact O-N 3.14Å; Q1036-Y1087 HydrophobicContact CB-CE1 4.39Å
1037I92.9Very high90.7Very high2.4 Ų2.431.6 Ų31.61%0.01218%0.177CC..Hα-helixtrans-62.7-46.8176.7-69.2160.1000110.8M807 T1033 S1034 V1035 C1039 K1040 M1041 I1084 Y1087 L1091M807-I1037 HydrophobicContact CE-CD1 4.36Å; M807-I1037 HydrophobicContact CE-CG2 3.95Å; M807-I1037 HydrophobicContact CG-CG2 4.19Å; T1033-I1037 WeakPolarHBondContact O-CB 3.4Å; T1033-I1037 WeakPolarHBondContact O-CD1 3.3Å; T1033-I1037 WeakPolarHBondContact O-CG1 3.35Å; T1033-I1037 PolarHBondContact O-N 3.3Å; S1034-I1037 PolarHBondContact O-N 3.21Å; V1035-I1037 VanDerWaalsContact C-N 3.34Å; V1035-I1037 PolarHBondContact O-N 3.2Å; I1037-C1039 PolarHBondContact O-N 3.1Å; I1037-K1040 PolarHBondContact O-N 3.18Å; I1037-M1041 HydrophobicContact CG2-CG 4.41Å; I1037-M1041 HydrophobicContact CG2-SD 4.2Å; I1037-M1041 WeakPolarHBondContact O-CB 3.4Å; I1037-M1041 WeakPolarHBondContact O-CG 3.38Å; I1037-M1041 PolarHBondContact O-N 3.06Å; I1037-I1084 HydrophobicContact CB-CD1 4.28Å; I1037-I1084 HydrophobicContact CG1-CD1 3.93Å; I1037-I1084 HydrophobicContact CG1-CG1 4.36Å; I1037-I1084 HydrophobicContact CG2-CD1 4.12Å; I1037-I1084 HydrophobicContact CG2-CG1 4.27Å; I1037-Y1087 HydrophobicContact CG1-CG 4.49Å; I1037-L1091 HydrophobicContact CD1-CD1 3.85Å
1038L93.3Very high89.8Confident39.8 Ų39.833.2 Ų33.221%0.20819%0.186CC..Hα-helixtrans-64.2-43.6179.9-70.4173.5000111.8I804 M807 V808 I811 S1034 V1035 K1040 M1041 T1042I804-L1038 HydrophobicContact CG2-CD2 4.08Å; M807-L1038 HydrophobicContact CB-CD2 4.43Å; M807-L1038 HydrophobicContact CG-CD2 4.36Å; V808-L1038 HydrophobicContact CG2-CD1 4.08Å; V808-L1038 HydrophobicContact CG2-CD2 3.52Å; V808-L1038 VanDerWaalsContact CG2-CD2 3.5Å; V808-L1038 HydrophobicContact CG2-CG 4.48Å; I811-L1038 HydrophobicContact CD1-CD1 3.92Å; I811-L1038 HydrophobicContact CD1-CD2 3.95Å; I811-L1038 HydrophobicContact CD1-CG 3.72Å; S1034-L1038 WeakPolarHBondContact O-CB 3.16Å; S1034-L1038 VanDerWaalsContact O-CG 3.3Å; S1034-L1038 WeakPolarHBondContact O-CG 3.38Å; S1034-L1038 PolarHBondContact O-N 2.98Å; V1035-L1038 PolarHBondContact O-N 3.25Å; L1038-K1040 VanDerWaalsContact C-N 3.34Å; L1038-K1040 PolarHBondContact O-N 3.39Å; L1038-M1041 PolarHBondContact O-N 3.06Å; L1038-T1042 WeakPolarHBondContact O-CB 3.44Å; L1038-T1042 WeakPolarHBondContact O-CG2 3.39Å; L1038-T1042 PolarHBondContact O-N 3.24Å; L1038-T1042 PolarHBondContact O-OG1 3.17Å; L1038-T1042 VanDerWaalsContact O-OG1 3.1Å
1039C91.8Very high88.6Confident49.2 Ų49.235.5 Ų35.533%0.33220%0.201SC..Hα-helixtrans-62.6-43.4174-66.70000112.1V1035 Q1036 I1037 M1041 T1042 F1043 F1074V1035-C1039 WeakPolarHBondContact O-CB 3.37Å; V1035-C1039 PolarHBondContact O-N 2.93Å; V1035-C1039 PolarHBondContact O-SG 3.14Å; V1035-C1039 VanDerWaalsContact O-SG 3.35Å; Q1036-C1039 PolarHBondContact O-N 3.18Å; I1037-C1039 PolarHBondContact O-N 3.1Å; C1039-M1041 VanDerWaalsContact C-N 3.3Å; C1039-M1041 PolarHBondContact O-N 3.33Å; C1039-T1042 WeakPolarHBondContact CA-OG1 3.42Å; C1039-T1042 PolarHBondContact O-N 3.02Å; C1039-T1042 PolarHBondContact O-OG1 3.13Å; C1039-T1042 VanDerWaalsContact O-OG1 3.12Å; C1039-F1043 WeakPolarHBondContact O-CB 3.36Å; C1039-F1043 PolarHBondContact O-N 3.21Å; C1039-F1074 HydrophobicContact CB-CE1 3.55Å; C1039-F1074 HydrophobicContact CB-CZ 3.64Å
1040K91.4Very high87.2Confident0.6 Ų0.641.8 Ų41.80%0.00323%0.225CC..Hα-helixtrans-63.1-36.6175.4-77.5175.1179.2-115.30112.4E1000 Q1036 I1037 L1038 Q1044 G1073 F1074 Y1083 I1084 Y1087E1000-K1040 IonicContact OE1-NZ 3.18Å; E1000-K1040 PolarHBondContact OE1-NZ 3.13Å; E1000-K1040 IonicContact OE2-NZ 3Å; E1000-K1040 PolarHBondContact OE2-NZ 3.2Å; Q1036-K1040 VanDerWaalsContact O-CB 3.3Å; Q1036-K1040 WeakPolarHBondContact O-CB 3.29Å; Q1036-K1040 VanDerWaalsContact O-CG 3.28Å; Q1036-K1040 WeakPolarHBondContact O-CG 3.47Å; Q1036-K1040 PolarHBondContact O-N 3.14Å; I1037-K1040 PolarHBondContact O-N 3.18Å; L1038-K1040 VanDerWaalsContact C-N 3.34Å; L1038-K1040 PolarHBondContact O-N 3.39Å; K1040-Q1044 WeakPolarHBondContact O-CG 3.4Å; K1040-Q1044 PolarHBondContact O-NE2 3.27Å; K1040-Q1044 VanDerWaalsContact O-NE2 3.15Å; K1040-G1073 WeakPolarHBondContact CE-O 3.21Å; K1040-G1073 PolarHBondContact NZ-O 2.94Å; K1040-F1074 HydrophobicContact CG-CD1 3.98Å; K1040-F1074 HydrophobicContact CG-CE1 4.01Å; K1040-Y1083 HydrophobicContact CB-CE1 4.26Å; K1040-Y1083 HydrophobicContact CD-CE1 4Å; K1040-Y1083 WeakPolarHBondContact CE-OH 3.4Å; K1040-Y1083 HydrophobicContact CG-CE1 4.1Å; K1040-Y1083 PolarHBondContact NZ-OH 3.29Å; K1040-Y1083 VanDerWaalsContact NZ-OH 3.14Å; K1040-I1084 HydrophobicContact CB-CD1 4.27Å; K1040-I1084 HydrophobicContact CD-CD1 4.24Å; K1040-Y1087 HydrophobicContact CD-CD2 4.38Å; K1040-Y1087 HydrophobicContact CD-CE2 4.2Å; K1040-Y1087 VanDerWaalsContact CE-CE2 3.49Å; K1040-Y1087 VanDerWaalsContact NZ-CZ 3.29Å; K1040-Y1087 PolarHBondContact NZ-OH 3.02Å
1041M90.4Very high85.4Confident8.4 Ų8.446.8 Ų46.84%0.04125%0.252CS..Hα-helixtrans-70.4-43.9174.4-74.3-174.585.500112.4S794 V799 I804 M807 I1037 L1038 C1039 F1043 Q1044 F1080S794-M1041 VanDerWaalsContact O-CE 3.25Å; S794-M1041 WeakPolarHBondContact O-CE 3.38Å; V799-M1041 HydrophobicContact CG1-CB 4.27Å; V799-M1041 HydrophobicContact CG1-CE 4.2Å; V799-M1041 WeakPolarHBondContact CG1-O 3.4Å; I804-M1041 HydrophobicContact CD1-CB 4.27Å; I804-M1041 HydrophobicContact CG1-CB 4.16Å; I804-M1041 HydrophobicContact CG1-CE 4.12Å; M807-M1041 HydrophobicContact CB-CE 4.28Å; M807-M1041 HydrophobicContact CB-SD 3.78Å; M807-M1041 HydrophobicContact CG-SD 3.71Å; I1037-M1041 HydrophobicContact CG2-CG 4.41Å; I1037-M1041 HydrophobicContact CG2-SD 4.2Å; I1037-M1041 WeakPolarHBondContact O-CB 3.4Å; I1037-M1041 WeakPolarHBondContact O-CG 3.38Å; I1037-M1041 PolarHBondContact O-N 3.06Å; L1038-M1041 PolarHBondContact O-N 3.06Å; C1039-M1041 VanDerWaalsContact C-N 3.3Å; C1039-M1041 PolarHBondContact O-N 3.33Å; M1041-F1043 VanDerWaalsContact C-N 3.28Å; M1041-F1043 PolarHBondContact O-N 3.21Å; M1041-Q1044 WeakPolarHBondContact O-CB 3.41Å; M1041-Q1044 PolarHBondContact O-N 3.2Å; M1041-Q1044 VanDerWaalsContact O-N 3.14Å; M1041-F1080 HydrophobicContact CB-CZ 4.46Å; M1041-F1080 HydrophobicContact CG-CE1 3.98Å; M1041-F1080 HydrophobicContact CG-CE2 4.35Å; M1041-F1080 HydrophobicContact CG-CZ 3.46Å; M1041-F1080 VanDerWaalsContact CG-CZ 3.44Å
1042T88.7Confident83.6Confident64.2 Ų64.251 Ų5139%0.39427%0.273SS..Hα-helixtrans-66.1-33.4178.737.60000112.1I804 L1038 C1039 Q1044 L1045I804-T1042 HydrophobicContact CD1-CG2 3.99Å; I804-T1042 HydrophobicContact CG2-CG2 4.49Å; L1038-T1042 WeakPolarHBondContact O-CB 3.44Å; L1038-T1042 WeakPolarHBondContact O-CG2 3.39Å; L1038-T1042 PolarHBondContact O-N 3.24Å; L1038-T1042 PolarHBondContact O-OG1 3.17Å; L1038-T1042 VanDerWaalsContact O-OG1 3.1Å; C1039-T1042 WeakPolarHBondContact CA-OG1 3.42Å; C1039-T1042 PolarHBondContact O-N 3.02Å; C1039-T1042 PolarHBondContact O-OG1 3.13Å; C1039-T1042 VanDerWaalsContact O-OG1 3.12Å; T1042-Q1044 VanDerWaalsContact C-N 3.26Å; T1042-Q1044 PolarHBondContact O-N 3.21Å; T1042-L1045 HydrophobicContact CG2-CD1 4.29Å; T1042-L1045 VanDerWaalsContact O-CB 3.31Å; T1042-L1045 WeakPolarHBondContact O-CB 3.3Å; T1042-L1045 WeakPolarHBondContact O-CD1 3.23Å; T1042-L1045 WeakPolarHBondContact O-CG 3.35Å; T1042-L1045 PolarHBondContact O-N 3.05Å; T1042-L1045 VanDerWaalsContact O-N 3.15Å
1043F87.9Confident81.8Confident42.8 Ų42.850.3 Ų50.319%0.18828%0.28CS..THydrogen-bonded Turntrans-67.7-20.3175.8-164.6-99.6000114C1039 M1041 L1045 V1048 T1069 F1074C1039-F1043 WeakPolarHBondContact O-CB 3.36Å; C1039-F1043 PolarHBondContact O-N 3.21Å; M1041-F1043 VanDerWaalsContact C-N 3.28Å; M1041-F1043 PolarHBondContact O-N 3.21Å; F1043-L1045 VanDerWaalsContact C-N 3.32Å; F1043-L1045 PolarHBondContact O-N 2.94Å; F1043-V1048 HydrophobicContact CD2-CG1 4.2Å; F1043-V1048 HydrophobicContact CE2-CG1 4.19Å; F1043-T1069 HydrophobicContact CE2-CG2 4.11Å; F1043-T1069 HydrophobicContact CZ-CG2 4.1Å; F1043-F1074 HydrophobicContact CD1-CB 4.05Å; F1043-F1074 HydrophobicContact CD2-CB 4.2Å; F1043-F1074 HydrophobicContact CE1-CB 4.12Å; F1043-F1074 VanDerWaalsContact CE1-O 3.24Å; F1043-F1074 WeakPolarHBondContact CE1-O 3.3Å; F1043-F1074 HydrophobicContact CE2-CB 4.27Å; F1043-F1074 HydrophobicContact CG-CB 4.08Å; F1043-F1074 HydrophobicContact CZ-CB 4.23Å; F1043-F1074 WeakPolarHBondContact CZ-O 3.32Å
1044Q88.9Confident80.1Confident27.6 Ų27.652 Ų5213%0.12929%0.291CS..THydrogen-bonded Turntrans-79.2-7.9173-56-48.9-50.500113.7V799 K1040 M1041 T1042 K1075 V1077 F1080V799-Q1044 HydrophobicContact CB-CB 3.91Å; V799-Q1044 HydrophobicContact CG1-CB 4.4Å; V799-Q1044 HydrophobicContact CG2-CB 3.91Å; V799-Q1044 HydrophobicContact CG2-CG 4.16Å; K1040-Q1044 WeakPolarHBondContact O-CG 3.4Å; K1040-Q1044 PolarHBondContact O-NE2 3.27Å; K1040-Q1044 VanDerWaalsContact O-NE2 3.15Å; M1041-Q1044 WeakPolarHBondContact O-CB 3.41Å; M1041-Q1044 PolarHBondContact O-N 3.2Å; M1041-Q1044 VanDerWaalsContact O-N 3.14Å; T1042-Q1044 VanDerWaalsContact C-N 3.26Å; T1042-Q1044 PolarHBondContact O-N 3.21Å; Q1044-K1075 PolarHBondContact NE2-O 3.12Å; Q1044-V1077 VanDerWaalsContact OE1-N 3.12Å; Q1044-F1080 HydrophobicContact CG-CD2 3.6Å; Q1044-F1080 HydrophobicContact CG-CE2 3.92Å; Q1044-F1080 HydrophobicContact CG-CG 4.4Å
1045L85.6Confident78.6Confident24.8 Ų24.853.2 Ų53.213%0.1330%0.3CS..SBendtrans-63.7140.6-179.1-73.3157.4000111.2V801 I804 A871 T1042 F1043 A1047 V1048 K1076V801-L1045 HydrophobicContact CG2-CD1 4.2Å; V801-L1045 HydrophobicContact CG2-CD2 4.13Å; I804-L1045 HydrophobicContact CD1-CD1 3.96Å; I804-L1045 HydrophobicContact CD1-CD2 3.94Å; I804-L1045 HydrophobicContact CD1-CG 4.05Å; A871-L1045 HydrophobicContact CB-CD2 4.48Å; T1042-L1045 HydrophobicContact CG2-CD1 4.29Å; T1042-L1045 VanDerWaalsContact O-CB 3.31Å; T1042-L1045 WeakPolarHBondContact O-CB 3.3Å; T1042-L1045 WeakPolarHBondContact O-CD1 3.23Å; T1042-L1045 WeakPolarHBondContact O-CG 3.35Å; T1042-L1045 PolarHBondContact O-N 3.05Å; T1042-L1045 VanDerWaalsContact O-N 3.15Å; F1043-L1045 VanDerWaalsContact C-N 3.32Å; F1043-L1045 PolarHBondContact O-N 2.94Å; L1045-A1047 PolarHBondContact O-N 3.12Å; L1045-A1047 VanDerWaalsContact O-N 3.12Å; L1045-V1048 HydrophobicContact CB-CG2 4.43Å; L1045-V1048 PolarHBondContact O-N 3.48Å; L1045-V1048 VanDerWaalsContact O-N 3.11Å; L1045-K1076 PolarHBondContact O-NZ 3.35Å
1046S76.9Confident77.2Confident52.6 Ų52.654.1 Ų54.137%0.36831%0.309SS..THydrogen-bonded Turntrans-61.1-22.8179.151.50000114A871 V1048A871-S1046 WeakPolarHBondContact CB-OG 3.25Å; S1046-V1048 VanDerWaalsContact C-N 3.27Å; S1046-V1048 PolarHBondContact O-N 2.98Å
1047A74Confident75.9Confident46 Ų4654 Ų5438%0.3831%0.31SS..THydrogen-bonded Turntrans-74.1-7177.300000114.4I868 A871 L1045 N1049I868-A1047 HydrophobicContact CG1-CB 4.32Å; A871-A1047 HydrophobicContact CB-CB 4.14Å; L1045-A1047 PolarHBondContact O-N 3.12Å; L1045-A1047 VanDerWaalsContact O-N 3.12Å; A1047-N1049 PolarHBondContact O-N 3.34Å
1048V75Confident74.6Confident55.6 Ų55.660 Ų6034%0.33735%0.346SS..  trans-95.199.6177-174.60000109.6F1043 L1045 S1046 K1076F1043-V1048 HydrophobicContact CD2-CG1 4.2Å; F1043-V1048 HydrophobicContact CE2-CG1 4.19Å; L1045-V1048 HydrophobicContact CB-CG2 4.43Å; L1045-V1048 PolarHBondContact O-N 3.48Å; L1045-V1048 VanDerWaalsContact O-N 3.11Å; S1046-V1048 VanDerWaalsContact C-N 3.27Å; S1046-V1048 PolarHBondContact O-N 2.98Å; V1048-K1076 PolarHBondContact O-NZ 3.24Å
1049N67.5Low72.9Confident98.8 Ų98.861.7 Ų61.753%0.52835%0.352SS..  trans-89.1124.5175.9-72.5-28.2000110.8A1047A1047-N1049 PolarHBondContact O-N 3.34Å
1050W65Low71.1Confident131.6 Ų131.666.7 Ų66.750%0.49837%0.374SS..G310 helixtrans-80.3-26.7-170.456-88.3000113.8I1052 S1053 S1054W1050-I1052 PolarHBondContact O-N 3.15Å; W1050-S1053 PolarHBondContact O-N 3.18Å; W1050-S1054 PolarHBondContact O-N 2.68Å
1051N59.1Low69.4Low106.2 Ų106.275.8 Ų75.857%0.56842%0.416SS*.G310 helixtrans-54.8-17.3-175.7-56.742.8000115.3S1053 S1054N1051-S1053 VanDerWaalsContact C-N 3.31Å; N1051-S1054 PolarHBondContact O-OG 3.03Å
1052I57.5Low67.8Low162 Ų16281.2 Ų81.283%0.83145%0.445SS*.G310 helixtrans-80-21.1178.8-58.5175.2000111.4W1050W1050-I1052 PolarHBondContact O-N 3.15Å
1053S56.2Low66.3Low59.6 Ų59.683.1 Ų83.142%0.41746%0.461SS..THydrogen-bonded Turntrans-113.5-3.6-174.8-168.80000114.7W1050 N1051 S1055 P1068W1050-S1053 PolarHBondContact O-N 3.18Å; N1051-S1053 VanDerWaalsContact C-N 3.31Å; S1053-S1055 PolarHBondContact O-N 3.03Å; S1053-S1055 VanDerWaalsContact O-N 3.1Å; S1053-P1068 WeakPolarHBondContact O-CD 3.36Å; S1053-P1068 WeakPolarHBondContact O-CG 3.36Å; S1053-P1068 WeakPolarHBondContact OG-CG 3.34Å
1054S59.2Low64.9Low35.2 Ų35.283.9 Ų83.925%0.24647%0.47CS..  trans-73.8100.6-177.255.30000111.6W1050 N1051 S1056 D1067W1050-S1054 PolarHBondContact O-N 2.68Å; N1051-S1054 PolarHBondContact O-OG 3.03Å; S1054-S1056 PolarHBondContact O-N 3.23Å; S1054-D1067 WeakPolarHBondContact CB-OD1 3.47Å
1055S61.3Low63.5Low31 Ų3186.9 Ų86.922%0.21749%0.49CS..EExtended strand (participates in β ladder)trans-76.5115.8175.943.30000111.3S1053 C1057 L1066 G1216S1053-S1055 PolarHBondContact O-N 3.03Å; S1053-S1055 VanDerWaalsContact O-N 3.1Å; S1055-C1057 PolarHBondContact O-N 3.2Å; S1055-C1057 VanDerWaalsContact O-N 3.12Å; S1055-L1066 PolarHBondContact N-O 3.01Å; S1055-L1066 VanDerWaalsContact N-O 3.12Å; S1055-L1066 PolarHBondContact O-N 2.99Å; S1055-L1066 PolarHBondContact OG-O 3.07Å; S1055-G1216 WeakPolarHBondContact OG-CA 3.37Å
1056S64.8Low62.3Low91 Ų9188.1 Ų88.164%0.63650%0.496SS*.EExtended strand (participates in β ladder)trans-83.187.4176.216.20000111.1S1054 V1058S1054-S1056 PolarHBondContact O-N 3.23Å; S1056-V1058 PolarHBondContact O-N 2.72Å
1057C65.9Low61.8Low5.6 Ų5.688.4 Ų88.44%0.03849%0.494CS..EExtended strand (participates in β ladder)trans-75.5119.3171.6-57.40000110.1S1055 K1059 T1064 L1066 P1215 C1218S1055-C1057 PolarHBondContact O-N 3.2Å; S1055-C1057 VanDerWaalsContact O-N 3.12Å; C1057-K1059 VanDerWaalsContact C-N 3.32Å; C1057-K1059 PolarHBondContact O-N 3.1Å; C1057-T1064 PolarHBondContact N-O 3.36Å; C1057-T1064 PolarHBondContact O-OG1 2.88Å; C1057-L1066 HydrophobicContact CB-CD1 4Å; C1057-P1215 PolarHBondContact SG-O 3.1Å; C1057-C1218 VanDerWaalsContact CA-SG 3.53Å; C1057-C1218 WeakPolarHBondContact CA-SG 3.42Å; C1057-C1218 HydrophobicContact CB-CB 3.74Å; C1057-C1218 WeakPolarHBondContact CB-SG 3.46Å; C1057-C1218 WeakPolarHBondContact SG-CA 3.38Å; C1057-C1218 WeakPolarHBondContact SG-CB 3.43Å; C1057-C1218 CovalentContact SG-SG 2.04Å; C1057-C1218 PolarHBondContact SG-SG 3.33Å
1058V65.5Low61.9Low128.4 Ų128.487.9 Ų87.978%0.77849%0.487SS*.EExtended strand (participates in β ladder)trans-7987.2172.6-175.70000108.9S1056S1056-V1058 PolarHBondContact O-N 2.72Å
1059K59.3Low62.2Low74.2 Ų74.286.7 Ų86.732%0.32348%0.48SS..EExtended strand (participates in β ladder)trans-81.5146.8164.7-75-170.4172.4-176.20109.5C1057 H1061 N1062 D1242C1057-K1059 VanDerWaalsContact C-N 3.32Å; C1057-K1059 PolarHBondContact O-N 3.1Å; K1059-H1061 PolarHBondContact O-N 3.12Å; K1059-H1061 VanDerWaalsContact O-N 3.1Å; K1059-N1062 PolarHBondContact O-N 3.06Å; K1059-N1062 VanDerWaalsContact O-N 3.14Å; K1059-D1242 IonicContact NZ-OD1 2.72Å; K1059-D1242 PolarHBondContact NZ-OD1 3.1Å; K1059-D1242 IonicContact NZ-OD2 3.21Å; K1059-D1242 PolarHBondContact NZ-OD2 2.91Å
1060L53.5Low62.8Low155 Ų15585.3 Ų85.381%0.81247%0.472SS*.THydrogen-bonded Turntrans-37.5111.1-176.5-147.372000111.7N1062L1060-N1062 VanDerWaalsContact C-N 3.28Å; L1060-N1062 PolarHBondContact O-N 3.06Å; L1060-N1062 VanDerWaalsContact O-N 3.12Å
1061H55.5Low63.8Low191.2 Ų191.282.7 Ų82.789%0.88546%0.462SS*.THydrogen-bonded Turntrans64-2.8179.2-114.8-68.1000119.2K1059K1059-H1061 PolarHBondContact O-N 3.12Å; K1059-H1061 VanDerWaalsContact O-N 3.1Å
1062N57.1Low65.1Low121.4 Ų121.480.8 Ų80.865%0.64945%0.452SS*.EExtended strand (participates in β ladder)trans-136.6123.3176.8-97.7-36.2000113.5K1059 L1060 T1064K1059-N1062 PolarHBondContact O-N 3.06Å; K1059-N1062 VanDerWaalsContact O-N 3.14Å; L1060-N1062 VanDerWaalsContact C-N 3.28Å; L1060-N1062 PolarHBondContact O-N 3.06Å; L1060-N1062 VanDerWaalsContact O-N 3.12Å; N1062-T1064 VanDerWaalsContact C-N 3.34Å; N1062-T1064 PolarHBondContact O-N 3.16Å; N1062-T1064 VanDerWaalsContact O-N 3.08Å
1063S57.1Low66.4Low104 Ų10473.2 Ų73.273%0.72741%0.414SS*.EExtended strand (participates in β ladder)trans-78.272.3179.2-56.70000112.4T1065S1063-T1065 PolarHBondContact O-N 3.07Å; S1063-T1065 VanDerWaalsContact O-N 3.15Å
1064T57.4Low67.8Low61 Ų6172.2 Ų72.237%0.37440%0.402SS..EExtended strand (participates in β ladder)trans-71.7110.4174.552.40000111C1057 N1062 L1066C1057-T1064 PolarHBondContact N-O 3.36Å; C1057-T1064 PolarHBondContact O-OG1 2.88Å; N1062-T1064 VanDerWaalsContact C-N 3.34Å; N1062-T1064 PolarHBondContact O-N 3.16Å; N1062-T1064 VanDerWaalsContact O-N 3.08Å; T1064-L1066 WeakPolarHBondContact O-CD1 3.45Å; T1064-L1066 PolarHBondContact O-N 3.34Å; T1064-L1066 VanDerWaalsContact OG1-CD1 3.27Å; T1064-L1066 WeakPolarHBondContact OG1-CD1 3.43Å
1065T59.6Low69Low89.2 Ų89.274.9 Ų74.955%0.54741%0.409SS..EExtended strand (participates in β ladder)trans-69113.2165.249.70000109S1063S1063-T1065 PolarHBondContact O-N 3.07Å; S1063-T1065 VanDerWaalsContact O-N 3.15Å
1066L61.5Low70Confident50.2 Ų50.278.6 Ų78.626%0.26342%0.421SS..EExtended strand (participates in β ladder)trans-110116.8-179.5-75136.5000109.2S1055 C1057 T1064 P1068 P1215S1055-L1066 PolarHBondContact N-O 3.01Å; S1055-L1066 VanDerWaalsContact N-O 3.12Å; S1055-L1066 PolarHBondContact O-N 2.99Å; S1055-L1066 PolarHBondContact OG-O 3.07Å; C1057-L1066 HydrophobicContact CB-CD1 4Å; T1064-L1066 WeakPolarHBondContact O-CD1 3.45Å; T1064-L1066 PolarHBondContact O-N 3.34Å; T1064-L1066 VanDerWaalsContact OG1-CD1 3.27Å; T1064-L1066 WeakPolarHBondContact OG1-CD1 3.43Å; L1066-P1068 WeakPolarHBondContact O-CD 3.3Å; L1066-P1215 HydrophobicContact CB-CB 4.26Å; L1066-P1215 HydrophobicContact CD2-CB 4.08Å; L1066-P1215 HydrophobicContact CG-CB 4.5Å
1067D66.8Low71Confident59.4 Ų59.476.2 Ų76.232%0.31840%0.403SS..  trans-81115.2176.4-70.9-28.5000110S1054 T1069 D1070S1054-D1067 WeakPolarHBondContact CB-OD1 3.47Å; D1067-T1069 PolarHBondContact O-N 2.99Å; D1067-T1069 VanDerWaalsContact O-N 3.12Å; D1067-D1070 PolarHBondContact O-N 3.13Å
1068P75.8Confident71.7Confident35 Ų3583.1 Ų83.123%0.22744%0.439CS..Hα-helixtrans-66.6-14.6179.728.7-35000112.5S1053 L1066 D1070 L1072S1053-P1068 WeakPolarHBondContact O-CD 3.36Å; S1053-P1068 WeakPolarHBondContact O-CG 3.36Å; S1053-P1068 WeakPolarHBondContact OG-CG 3.34Å; L1066-P1068 WeakPolarHBondContact O-CD 3.3Å; P1068-D1070 VanDerWaalsContact C-N 3.34Å; P1068-L1072 VanDerWaalsContact O-CD1 3.3Å; P1068-L1072 WeakPolarHBondContact O-CD1 3.38Å
1069T80.2Confident72.7Confident30.8 Ų30.881.9 Ų81.919%0.18943%0.428CS..Hα-helixtrans-70.5-29.1177.359.50000113.1F1043 D1067 W1071 L1072 G1073 F1074F1043-T1069 HydrophobicContact CE2-CG2 4.11Å; F1043-T1069 HydrophobicContact CZ-CG2 4.1Å; D1067-T1069 PolarHBondContact O-N 2.99Å; D1067-T1069 VanDerWaalsContact O-N 3.12Å; T1069-W1071 VanDerWaalsContact C-N 3.31Å; T1069-W1071 PolarHBondContact O-N 3.39Å; T1069-L1072 WeakPolarHBondContact O-CB 3.44Å; T1069-L1072 PolarHBondContact O-N 3.2Å; T1069-L1072 VanDerWaalsContact O-N 3.16Å; T1069-G1073 PolarHBondContact O-N 3.34Å; T1069-F1074 CarbonylContact C-O 3.52Å; T1069-F1074 VanDerWaalsContact CB-O 3.28Å; T1069-F1074 WeakPolarHBondContact CB-O 3.43Å; T1069-F1074 PolarHBondContact O-N 3.17Å; T1069-F1074 PolarHBondContact OG1-O 3.14Å; T1069-F1074 VanDerWaalsContact OG1-O 3.09Å
1070D81Confident73.9Confident70.2 Ų70.278.9 Ų78.938%0.37542%0.415SS..Hα-helixtrans-65.6-36.7-179.3-141.332000110.9D1067 P1068 L1072 G1073 K1075D1067-D1070 PolarHBondContact O-N 3.13Å; P1068-D1070 VanDerWaalsContact C-N 3.34Å; D1070-L1072 VanDerWaalsContact C-N 3.31Å; D1070-L1072 PolarHBondContact O-N 3.19Å; D1070-G1073 WeakPolarHBondContact O-CA 3.35Å; D1070-G1073 PolarHBondContact O-N 3.12Å; D1070-K1075 WeakPolarHBondContact OD1-CA 3.21Å; D1070-K1075 VanDerWaalsContact OD1-CB 3.26Å; D1070-K1075 WeakPolarHBondContact OD1-CB 3.43Å; D1070-K1075 WeakPolarHBondContact OD1-CD 3.31Å; D1070-K1075 WeakPolarHBondContact OD1-CG 3.34Å; D1070-K1075 IonicContact OD1-NZ 3.53Å; D1070-K1075 PolarHBondContact OD1-NZ 3.15Å; D1070-K1075 IonicContact OD2-NZ 3.32Å; D1070-K1075 PolarHBondContact OD2-NZ 3.18Å
1071W85.5Confident75.4Confident76.4 Ų76.479.5 Ų79.529%0.28941%0.407SS..Hα-helixtrans-63.1-32.7174.8-179.188.9000113.5A1003 T1069 G1073 V1211 G1212 P1214 P1215A1003-W1071 HydrophobicContact CB-CD2 3.87Å; A1003-W1071 HydrophobicContact CB-CE3 3.68Å; A1003-W1071 HydrophobicContact CB-CH2 3.56Å; A1003-W1071 HydrophobicContact CB-CZ2 3.74Å; A1003-W1071 HydrophobicContact CB-CZ3 3.53Å; A1003-W1071 WeakPolarHBondContact CB-O 3.33Å; A1003-W1071 PolarHBondContact N-O 3.04Å; T1069-W1071 VanDerWaalsContact C-N 3.31Å; T1069-W1071 PolarHBondContact O-N 3.39Å; W1071-G1073 VanDerWaalsContact C-N 3.26Å; W1071-G1073 PolarHBondContact O-N 3.23Å; W1071-V1211 HydrophobicContact CZ2-CG1 4.2Å; W1071-V1211 PolarHBondContact NE1-O 3.24Å; W1071-G1212 PolarHBondContact NE1-O 2.93Å; W1071-P1214 HydrophobicContact CD2-CB 3.76Å; W1071-P1214 HydrophobicContact CE3-CB 4Å; W1071-P1214 HydrophobicContact CG-CB 4.19Å; W1071-P1214 HydrophobicContact CH2-CB 4.39Å; W1071-P1214 HydrophobicContact CZ2-CB 4.15Å; W1071-P1214 HydrophobicContact CZ2-CG 4.31Å; W1071-P1214 HydrophobicContact CZ3-CB 4.31Å; W1071-P1215 HydrophobicContact CB-CG 4.37Å
1072L85.9Confident76.9Confident66.2 Ų66.277.6 Ų77.635%0.34740%0.398SS..Hα-helixtrans-74.1-16.2172.5-89.997.4000112.7T1004 P1068 T1069 D1070 F1074T1004-L1072 HydrophobicContact CG2-CB 4.43Å; T1004-L1072 HydrophobicContact CG2-CD1 3.65Å; T1004-L1072 HydrophobicContact CG2-CD2 4.15Å; T1004-L1072 HydrophobicContact CG2-CG 3.96Å; T1004-L1072 VanDerWaalsContact CG2-O 3.26Å; T1004-L1072 WeakPolarHBondContact CG2-O 3.34Å; T1004-L1072 PolarHBondContact OG1-O 3.27Å; P1068-L1072 VanDerWaalsContact O-CD1 3.3Å; P1068-L1072 WeakPolarHBondContact O-CD1 3.38Å; T1069-L1072 WeakPolarHBondContact O-CB 3.44Å; T1069-L1072 PolarHBondContact O-N 3.2Å; T1069-L1072 VanDerWaalsContact O-N 3.16Å; D1070-L1072 VanDerWaalsContact C-N 3.31Å; D1070-L1072 PolarHBondContact O-N 3.19Å; L1072-F1074 HydrophobicContact CB-CD2 3.78Å; L1072-F1074 HydrophobicContact CB-CE2 3.93Å; L1072-F1074 HydrophobicContact CD1-CD2 4.38Å; L1072-F1074 HydrophobicContact CD2-CD2 4.18Å; L1072-F1074 HydrophobicContact CD2-CE2 3.93Å; L1072-F1074 HydrophobicContact CG-CD2 4.07Å; L1072-F1074 HydrophobicContact CG-CE2 3.91Å
1073G84.5Confident78.4Confident3 Ų373.4 Ų73.43%0.03137%0.374CS..THydrogen-bonded Turntrans86.737.9-169.500000112.7E1000 S1002 K1040 T1069 D1070 W1071 Y1083E1000-G1073 WeakPolarHBondContact OE1-CA 3.32Å; S1002-G1073 VanDerWaalsContact CB-CA 3.47Å; K1040-G1073 WeakPolarHBondContact CE-O 3.21Å; K1040-G1073 PolarHBondContact NZ-O 2.94Å; T1069-G1073 PolarHBondContact O-N 3.34Å; D1070-G1073 WeakPolarHBondContact O-CA 3.35Å; D1070-G1073 PolarHBondContact O-N 3.12Å; W1071-G1073 VanDerWaalsContact C-N 3.26Å; W1071-G1073 PolarHBondContact O-N 3.23Å; G1073-Y1083 PolarHBondContact O-OH 3.18Å
1074F86.5Confident80Confident37 Ų3769.1 Ų69.116%0.16234%0.342CS..  trans-123.491175-61.6-48.3000111C1039 K1040 F1043 T1069 L1072C1039-F1074 HydrophobicContact CB-CE1 3.55Å; C1039-F1074 HydrophobicContact CB-CZ 3.64Å; K1040-F1074 HydrophobicContact CG-CD1 3.98Å; K1040-F1074 HydrophobicContact CG-CE1 4.01Å; F1043-F1074 HydrophobicContact CD1-CB 4.05Å; F1043-F1074 HydrophobicContact CD2-CB 4.2Å; F1043-F1074 HydrophobicContact CE1-CB 4.12Å; F1043-F1074 VanDerWaalsContact CE1-O 3.24Å; F1043-F1074 WeakPolarHBondContact CE1-O 3.3Å; F1043-F1074 HydrophobicContact CE2-CB 4.27Å; F1043-F1074 HydrophobicContact CG-CB 4.08Å; F1043-F1074 HydrophobicContact CZ-CB 4.23Å; F1043-F1074 WeakPolarHBondContact CZ-O 3.32Å; T1069-F1074 CarbonylContact C-O 3.52Å; T1069-F1074 VanDerWaalsContact CB-O 3.28Å; T1069-F1074 WeakPolarHBondContact CB-O 3.43Å; T1069-F1074 PolarHBondContact O-N 3.17Å; T1069-F1074 PolarHBondContact OG1-O 3.14Å; T1069-F1074 VanDerWaalsContact OG1-O 3.09Å; L1072-F1074 HydrophobicContact CB-CD2 3.78Å; L1072-F1074 HydrophobicContact CB-CE2 3.93Å; L1072-F1074 HydrophobicContact CD1-CD2 4.38Å; L1072-F1074 HydrophobicContact CD2-CD2 4.18Å; L1072-F1074 HydrophobicContact CD2-CE2 3.93Å; L1072-F1074 HydrophobicContact CG-CD2 4.07Å; L1072-F1074 HydrophobicContact CG-CE2 3.91Å
1075K83.7Confident81.5Confident92 Ų9272.4 Ų72.440%0.436%0.355SS..  trans-114.2146.8174.5-166.8178.5-169.5105.20111Q1044 D1070 V1077 Y1083Q1044-K1075 PolarHBondContact NE2-O 3.12Å; D1070-K1075 WeakPolarHBondContact OD1-CA 3.21Å; D1070-K1075 VanDerWaalsContact OD1-CB 3.26Å; D1070-K1075 WeakPolarHBondContact OD1-CB 3.43Å; D1070-K1075 WeakPolarHBondContact OD1-CD 3.31Å; D1070-K1075 WeakPolarHBondContact OD1-CG 3.34Å; D1070-K1075 IonicContact OD1-NZ 3.53Å; D1070-K1075 PolarHBondContact OD1-NZ 3.15Å; D1070-K1075 IonicContact OD2-NZ 3.32Å; D1070-K1075 PolarHBondContact OD2-NZ 3.18Å; K1075-V1077 HydrophobicContact CB-CG2 4.08Å; K1075-V1077 HydrophobicContact CD-CG2 4.15Å; K1075-V1077 HydrophobicContact CG-CG2 4.05Å; K1075-Y1083 HydrophobicContact CG-CE2 4.07Å; K1075-Y1083 PolarHBondContact N-OH 3.01Å
1076K83.9Confident83Confident109.4 Ų109.469.1 Ų69.148%0.47634%0.335SS..  trans-83.7126.4170.3-160167.1-172.2166.80108.5L1045 V1048L1045-K1076 PolarHBondContact O-NZ 3.35Å; V1048-K1076 PolarHBondContact O-NZ 3.24Å
1077V84.7Confident84.5Confident40.4 Ų40.466.7 Ų66.725%0.24532%0.323CS..  trans-141.7123-167.2-178.20000111.8Q1044 K1075 N1079 F1080 Y1083Q1044-V1077 VanDerWaalsContact OE1-N 3.12Å; K1075-V1077 HydrophobicContact CB-CG2 4.08Å; K1075-V1077 HydrophobicContact CD-CG2 4.15Å; K1075-V1077 HydrophobicContact CG-CG2 4.05Å; V1077-N1079 VanDerWaalsContact C-N 3.34Å; V1077-N1079 PolarHBondContact O-N 2.93Å; V1077-N1079 VanDerWaalsContact O-N 3.17Å; V1077-F1080 PolarHBondContact O-N 3.03Å; V1077-Y1083 HydrophobicContact CB-CD1 4.48Å; V1077-Y1083 HydrophobicContact CG2-CD1 4.33Å; V1077-Y1083 HydrophobicContact CG2-CD2 4.42Å; V1077-Y1083 HydrophobicContact CG2-CE1 4.33Å; V1077-Y1083 HydrophobicContact CG2-CG 4.37Å
1078D81.7Confident85.6Confident150.2 Ų150.264.8 Ų64.880%0.80332%0.317SS*.THydrogen-bonded Turntrans-62.9-27.9-178-51.1-58.8000113.4Q797 F1080Q797-D1078 PolarHBondContact NE2-O 3.41Å; D1078-F1080 PolarHBondContact O-N 2.83Å
1079N85.1Confident86.4Confident102.8 Ų102.865 Ų6555%0.5532%0.321SS..THydrogen-bonded Turntrans-106.957.8177.9-79-53.9000112.2V1077 R1081 Q1082 Y1083V1077-N1079 VanDerWaalsContact C-N 3.34Å; V1077-N1079 PolarHBondContact O-N 2.93Å; V1077-N1079 VanDerWaalsContact O-N 3.17Å; N1079-R1081 PolarHBondContact O-N 3.12Å; N1079-Q1082 PolarHBondContact O-N 3.28Å; N1079-Y1083 PolarHBondContact O-N 3.08Å
1080F85.2Confident87Confident11.2 Ų11.263.6 Ų63.65%0.04931%0.313CS..Hα-helixtrans-50.1-32.8-178.8-177.3-101.9000114Q797 V799 M1041 Q1044 V1077 D1078 Q1082 Y1083 I1084Q797-F1080 HydrophobicContact CG-CB 4.29Å; V799-F1080 HydrophobicContact CG2-CD1 4.02Å; V799-F1080 HydrophobicContact CG2-CD2 4.48Å; V799-F1080 HydrophobicContact CG2-CE1 4.42Å; V799-F1080 HydrophobicContact CG2-CG 4.08Å; M1041-F1080 HydrophobicContact CB-CZ 4.46Å; M1041-F1080 HydrophobicContact CG-CE1 3.98Å; M1041-F1080 HydrophobicContact CG-CE2 4.35Å; M1041-F1080 HydrophobicContact CG-CZ 3.46Å; M1041-F1080 VanDerWaalsContact CG-CZ 3.44Å; Q1044-F1080 HydrophobicContact CG-CD2 3.6Å; Q1044-F1080 HydrophobicContact CG-CE2 3.92Å; Q1044-F1080 HydrophobicContact CG-CG 4.4Å; V1077-F1080 PolarHBondContact O-N 3.03Å; D1078-F1080 PolarHBondContact O-N 2.83Å; F1080-Q1082 VanDerWaalsContact C-N 3.32Å; F1080-Q1082 PolarHBondContact O-N 3.08Å; F1080-Y1083 AromaticContact CD2-CD1 3.91Å; F1080-Y1083 HydrophobicContact CD2-CD1 3.96Å; F1080-Y1083 HydrophobicContact CE2-CD1 4.07Å; F1080-Y1083 HydrophobicContact CE2-CE1 4.47Å; F1080-Y1083 WeakPolarHBondContact O-CB 3.21Å; F1080-Y1083 PolarHBondContact O-N 3.3Å; F1080-I1084 HydrophobicContact CD1-CB 4.44Å; F1080-I1084 HydrophobicContact CD1-CG2 4.27Å; F1080-I1084 HydrophobicContact CE1-CB 3.89Å; F1080-I1084 HydrophobicContact CE1-CG1 4.1Å; F1080-I1084 HydrophobicContact CE1-CG2 3.86Å; F1080-I1084 HydrophobicContact CE2-CB 4.3Å; F1080-I1084 HydrophobicContact CE2-CD1 4.26Å; F1080-I1084 HydrophobicContact CE2-CG1 4.46Å; F1080-I1084 HydrophobicContact CZ-CB 3.8Å; F1080-I1084 HydrophobicContact CZ-CD1 3.81Å; F1080-I1084 HydrophobicContact CZ-CG1 3.74Å; F1080-I1084 HydrophobicContact CZ-CG2 4.3Å; F1080-I1084 WeakPolarHBondContact O-CG2 3.32Å; F1080-I1084 PolarHBondContact O-N 3.19Å
1081R85.6Confident87.6Confident169 Ų16960.7 Ų60.764%0.63830%0.297SS*.Hα-helixtrans-57.5-42.2177.2-174.6-172.8-43.5-141.71.3113.1V795 N1079 M1085V795-R1081 HydrophobicContact CG1-CB 4.15Å; V795-R1081 HydrophobicContact CG1-CG 3.96Å; N1079-R1081 PolarHBondContact O-N 3.12Å; R1081-M1085 PolarHBondContact O-N 3.2Å
1082Q87.2Confident87.9Confident151.6 Ų151.660.5 Ų60.571%0.70830%0.304SS*.Hα-helixtrans-74.5-41.4-179.5-175.8173.2-5.800110.6N1079 F1080 I1084 M1085N1079-Q1082 PolarHBondContact O-N 3.28Å; F1080-Q1082 VanDerWaalsContact C-N 3.32Å; F1080-Q1082 PolarHBondContact O-N 3.08Å; Q1082-I1084 VanDerWaalsContact C-N 3.33Å; Q1082-I1084 PolarHBondContact O-N 3.14Å; Q1082-M1085 VanDerWaalsContact O-CB 3.31Å; Q1082-M1085 WeakPolarHBondContact O-CB 3.38Å; Q1082-M1085 PolarHBondContact O-N 3.02Å
1083Y88Confident88.3Confident32.6 Ų32.658.3 Ų58.313%0.12829%0.294CS..Hα-helixtrans-58.4-42.4176.5-178.4-124.5000112.8E1000 K1040 G1073 K1075 V1077 N1079 F1080E1000-Y1083 VanDerWaalsContact OE2-CE2 3.24Å; E1000-Y1083 WeakPolarHBondContact OE2-CE2 3.38Å; K1040-Y1083 HydrophobicContact CB-CE1 4.26Å; K1040-Y1083 HydrophobicContact CD-CE1 4Å; K1040-Y1083 WeakPolarHBondContact CE-OH 3.4Å; K1040-Y1083 HydrophobicContact CG-CE1 4.1Å; K1040-Y1083 PolarHBondContact NZ-OH 3.29Å; K1040-Y1083 VanDerWaalsContact NZ-OH 3.14Å; G1073-Y1083 PolarHBondContact O-OH 3.18Å; K1075-Y1083 HydrophobicContact CG-CE2 4.07Å; K1075-Y1083 PolarHBondContact N-OH 3.01Å; V1077-Y1083 HydrophobicContact CB-CD1 4.48Å; V1077-Y1083 HydrophobicContact CG2-CD1 4.33Å; V1077-Y1083 HydrophobicContact CG2-CD2 4.42Å; V1077-Y1083 HydrophobicContact CG2-CE1 4.33Å; V1077-Y1083 HydrophobicContact CG2-CG 4.37Å; N1079-Y1083 PolarHBondContact O-N 3.08Å; F1080-Y1083 AromaticContact CD2-CD1 3.91Å; F1080-Y1083 HydrophobicContact CD2-CD1 3.96Å; F1080-Y1083 HydrophobicContact CE2-CD1 4.07Å; F1080-Y1083 HydrophobicContact CE2-CE1 4.47Å; F1080-Y1083 WeakPolarHBondContact O-CB 3.21Å; F1080-Y1083 PolarHBondContact O-N 3.3Å
1084I89.8Confident88.7Confident13.8 Ų13.858.2 Ų58.27%0.07129%0.292CS..Hα-helixtrans-86.5-8.5-178.8-148.263.6000114.2V795 I1037 K1040 F1080 Q1082 Y1087 G1088V795-I1084 HydrophobicContact CG1-CG2 4.09Å; V795-I1084 HydrophobicContact CG2-CG2 4.29Å; I1037-I1084 HydrophobicContact CB-CD1 4.28Å; I1037-I1084 HydrophobicContact CG1-CD1 3.93Å; I1037-I1084 HydrophobicContact CG1-CG1 4.36Å; I1037-I1084 HydrophobicContact CG2-CD1 4.12Å; I1037-I1084 HydrophobicContact CG2-CG1 4.27Å; K1040-I1084 HydrophobicContact CB-CD1 4.27Å; K1040-I1084 HydrophobicContact CD-CD1 4.24Å; F1080-I1084 HydrophobicContact CD1-CB 4.44Å; F1080-I1084 HydrophobicContact CD1-CG2 4.27Å; F1080-I1084 HydrophobicContact CE1-CB 3.89Å; F1080-I1084 HydrophobicContact CE1-CG1 4.1Å; F1080-I1084 HydrophobicContact CE1-CG2 3.86Å; F1080-I1084 HydrophobicContact CE2-CB 4.3Å; F1080-I1084 HydrophobicContact CE2-CD1 4.26Å; F1080-I1084 HydrophobicContact CE2-CG1 4.46Å; F1080-I1084 HydrophobicContact CZ-CB 3.8Å; F1080-I1084 HydrophobicContact CZ-CD1 3.81Å; F1080-I1084 HydrophobicContact CZ-CG1 3.74Å; F1080-I1084 HydrophobicContact CZ-CG2 4.3Å; F1080-I1084 WeakPolarHBondContact O-CG2 3.32Å; F1080-I1084 PolarHBondContact O-N 3.19Å; Q1082-I1084 VanDerWaalsContact C-N 3.33Å; Q1082-I1084 PolarHBondContact O-N 3.14Å; I1084-Y1087 PolarHBondContact O-N 3.05Å; I1084-G1088 PolarHBondContact O-N 3.12Å
1085M90.2Very high89.1Confident130.4 Ų130.457.2 Ų57.264%0.64229%0.289SS*.Hα-helixtrans-54.8-51.3-174.8-171.8-115.9178.500114.6R1081 Q1082 Y1087 G1088 A1089R1081-M1085 PolarHBondContact O-N 3.2Å; Q1082-M1085 VanDerWaalsContact O-CB 3.31Å; Q1082-M1085 WeakPolarHBondContact O-CB 3.38Å; Q1082-M1085 PolarHBondContact O-N 3.02Å; M1085-Y1087 PolarHBondContact O-N 3.19Å; M1085-G1088 PolarHBondContact O-N 3.21Å; M1085-A1089 PolarHBondContact O-N 3.06Å
1086P90.8Very high89.5Confident20 Ų2055.1 Ų55.113%0.1328%0.284CS..Hα-helixtrans-65.7-39.5-177.925.4-34000112.2T996 G1088 A1089 L1090T996-P1086 HydrophobicContact CG2-CB 4.2Å; P1086-G1088 PolarHBondContact O-N 2.85Å; P1086-A1089 WeakPolarHBondContact O-CB 3.49Å; P1086-A1089 PolarHBondContact O-N 3.24Å; P1086-L1090 WeakPolarHBondContact O-CB 3.37Å; P1086-L1090 PolarHBondContact O-N 3.05Å
1087Y92.4Very high90Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-63.2-41.5174.5-66.3-81.5000112.3T996 E1000 N1005 T1033 Q1036 I1037 K1040 I1084 M1085 L1090 L1091T996-Y1087 HydrophobicContact CG2-CD1 3.89Å; T996-Y1087 HydrophobicContact CG2-CD2 4.3Å; T996-Y1087 HydrophobicContact CG2-CE1 3.69Å; T996-Y1087 HydrophobicContact CG2-CE2 4.24Å; T996-Y1087 HydrophobicContact CG2-CG 4.25Å; E1000-Y1087 PolarHBondContact OE1-OH 3.18Å; N1005-Y1087 VanDerWaalsContact CG-OH 3.27Å; N1005-Y1087 PolarHBondContact ND2-OH 3.29Å; N1005-Y1087 WeakPolarHBondContact OD1-CE1 3.32Å; N1005-Y1087 PolarHBondContact OD1-OH 3.23Å; T1033-Y1087 HydrophobicContact CG2-CD1 4.46Å; Q1036-Y1087 HydrophobicContact CB-CE1 4.39Å; I1037-Y1087 HydrophobicContact CG1-CG 4.49Å; K1040-Y1087 HydrophobicContact CD-CD2 4.38Å; K1040-Y1087 HydrophobicContact CD-CE2 4.2Å; K1040-Y1087 VanDerWaalsContact CE-CE2 3.49Å; K1040-Y1087 VanDerWaalsContact NZ-CZ 3.29Å; K1040-Y1087 PolarHBondContact NZ-OH 3.02Å; I1084-Y1087 PolarHBondContact O-N 3.05Å; M1085-Y1087 PolarHBondContact O-N 3.19Å; Y1087-L1090 PolarHBondContact O-N 3.1Å; Y1087-L1091 WeakPolarHBondContact O-CB 3.35Å; Y1087-L1091 PolarHBondContact O-N 3.02Å
1088G90.8Very high90.4Very high19.4 Ų19.450.7 Ų50.720%0.226%0.261CS..Hα-helixtrans-63.3-39.2173.500000113I1084 M1085 P1086 L1091 V1092I1084-G1088 PolarHBondContact O-N 3.12Å; M1085-G1088 PolarHBondContact O-N 3.21Å; P1086-G1088 PolarHBondContact O-N 2.85Å; G1088-L1091 PolarHBondContact O-N 3.1Å; G1088-V1092 WeakPolarHBondContact O-CG2 3.37Å; G1088-V1092 PolarHBondContact O-N 3.03Å; G1088-V1092 VanDerWaalsContact O-N 3.1Å
1089A91.4Very high90.8Very high37.8 Ų37.845.5 Ų45.531%0.31224%0.238SC..Hα-helixtrans-64.8-41.817400000111.9M1085 P1086 V1092 V1093M1085-A1089 PolarHBondContact O-N 3.06Å; P1086-A1089 WeakPolarHBondContact O-CB 3.49Å; P1086-A1089 PolarHBondContact O-N 3.24Å; A1089-V1092 PolarHBondContact O-N 3.09Å; A1089-V1093 WeakPolarHBondContact O-CB 3.39Å; A1089-V1093 VanDerWaalsContact O-CG2 3.29Å; A1089-V1093 WeakPolarHBondContact O-CG2 3.42Å; A1089-V1093 PolarHBondContact O-N 3.25Å
1090L93.5Very high91.1Very high2.2 Ų2.240.8 Ų40.81%0.01221%0.213CC..Hα-helixtrans-64.6-38.6176.9-176.847.9000112.5V992 I993 T996 V1029 T1033 P1086 Y1087 V1093 T1094V992-L1090 HydrophobicContact CB-CD1 4.5Å; V992-L1090 HydrophobicContact CG1-CB 3.92Å; V992-L1090 HydrophobicContact CG1-CD1 4.06Å; V992-L1090 HydrophobicContact CG1-CG 4.5Å; I993-L1090 HydrophobicContact CG1-CD1 3.64Å; I993-L1090 HydrophobicContact CG1-CD2 4Å; I993-L1090 HydrophobicContact CG1-CG 4.49Å; T996-L1090 HydrophobicContact CG2-CD2 4.44Å; V1029-L1090 HydrophobicContact CG1-CD1 4.14Å; V1029-L1090 HydrophobicContact CG1-CD2 4.11Å; V1029-L1090 HydrophobicContact CG1-CG 4.21Å; T1033-L1090 HydrophobicContact CG2-CD2 3.61Å; T1033-L1090 HydrophobicContact CG2-CG 4.1Å; P1086-L1090 WeakPolarHBondContact O-CB 3.37Å; P1086-L1090 PolarHBondContact O-N 3.05Å; Y1087-L1090 PolarHBondContact O-N 3.1Å; L1090-V1093 PolarHBondContact O-N 3.08Å; L1090-T1094 HydrophobicContact CD1-CG2 4.15Å; L1090-T1094 WeakPolarHBondContact O-CG2 3.41Å; L1090-T1094 PolarHBondContact O-N 2.93Å; L1090-T1094 VanDerWaalsContact O-N 3.07Å; L1090-T1094 PolarHBondContact O-OG1 3.24Å
1091L92.5Very high91.3Very high8.6 Ų8.642 Ų425%0.04523%0.225CC..Hα-helixtrans-59.4-47.5171.5-169163.5000111.1M807 I811 F1030 I1037 Y1087 G1088 T1094 V1095M807-L1091 HydrophobicContact CE-CD1 3.62Å; I811-L1091 HydrophobicContact CG1-CD1 4.32Å; F1030-L1091 HydrophobicContact CD2-CG 4.13Å; F1030-L1091 HydrophobicContact CE2-CD1 4.42Å; F1030-L1091 HydrophobicContact CE2-CD2 3.79Å; F1030-L1091 HydrophobicContact CE2-CG 3.62Å; F1030-L1091 HydrophobicContact CZ-CG 4.43Å; I1037-L1091 HydrophobicContact CD1-CD1 3.85Å; Y1087-L1091 WeakPolarHBondContact O-CB 3.35Å; Y1087-L1091 PolarHBondContact O-N 3.02Å; G1088-L1091 PolarHBondContact O-N 3.1Å; L1091-T1094 PolarHBondContact O-OG1 3.1Å; L1091-V1095 HydrophobicContact CD2-CG2 4.41Å; L1091-V1095 WeakPolarHBondContact O-CG2 3.39Å; L1091-V1095 PolarHBondContact O-N 3.26Å
1092V92.5Very high91.3Very high73.2 Ų73.235.8 Ų35.844%0.44420%0.202SC..Hα-helixtrans-65.2-46177.6172.70000111.8G1088 A1089 T1094 V1095 V1096G1088-V1092 WeakPolarHBondContact O-CG2 3.37Å; G1088-V1092 PolarHBondContact O-N 3.03Å; G1088-V1092 VanDerWaalsContact O-N 3.1Å; A1089-V1092 PolarHBondContact O-N 3.09Å; V1092-T1094 VanDerWaalsContact C-N 3.35Å; V1092-T1094 PolarHBondContact O-N 3.17Å; V1092-V1095 PolarHBondContact O-N 2.85Å; V1092-V1096 HydrophobicContact CG1-CG2 4.22Å; V1092-V1096 WeakPolarHBondContact O-CG2 3.36Å; V1092-V1096 PolarHBondContact O-N 2.99Å
1093V94.2Very high91.3Very high19.6 Ų19.630.7 Ų30.712%0.11918%0.176CC..Hα-helixtrans-66.8-34.1-175.2169.20000112.3W985 L988 V989 V992 A1089 L1090 W1097W985-V1093 HydrophobicContact CZ2-CG1 4.45Å; W985-V1093 PolarHBondContact NE1-O 3.2Å; L988-V1093 HydrophobicContact CD2-CG1 4.48Å; L988-V1093 HydrophobicContact CG-CG1 4.26Å; V989-V1093 HydrophobicContact CB-CG1 4.47Å; V989-V1093 HydrophobicContact CG2-CG1 3.86Å; V992-V1093 HydrophobicContact CG2-CG2 4.43Å; A1089-V1093 WeakPolarHBondContact O-CB 3.39Å; A1089-V1093 VanDerWaalsContact O-CG2 3.29Å; A1089-V1093 WeakPolarHBondContact O-CG2 3.42Å; A1089-V1093 PolarHBondContact O-N 3.25Å; L1090-V1093 PolarHBondContact O-N 3.08Å; V1093-W1097 PolarHBondContact O-N 3.17Å; V1093-W1097 VanDerWaalsContact O-N 3.15Å
1094T93.7Very high91.2Very high0 Ų029.3 Ų29.30%017%0.171CC..Hα-helixtrans-70.8-40.2172.849.90000112.7V989 T1026 L1090 L1091 V1092 V1096 W1097 H1098V989-T1094 HydrophobicContact CG1-CG2 4.21Å; T1026-T1094 HydrophobicContact CG2-CG2 4.48Å; L1090-T1094 HydrophobicContact CD1-CG2 4.15Å; L1090-T1094 WeakPolarHBondContact O-CG2 3.41Å; L1090-T1094 PolarHBondContact O-N 2.93Å; L1090-T1094 VanDerWaalsContact O-N 3.07Å; L1090-T1094 PolarHBondContact O-OG1 3.24Å; L1091-T1094 PolarHBondContact O-OG1 3.1Å; V1092-T1094 VanDerWaalsContact C-N 3.35Å; V1092-T1094 PolarHBondContact O-N 3.17Å; T1094-V1096 PolarHBondContact O-N 3.04Å; T1094-W1097 WeakPolarHBondContact O-CB 3.36Å; T1094-W1097 PolarHBondContact O-N 3.26Å; T1094-H1098 PolarHBondContact O-N 2.92Å
1095V93.6Very high90.9Very high17.8 Ų17.837.5 Ų37.511%0.10820%0.201CC..Hα-helixtrans-62.4-42.4172.91700000111.6M814 F817 F1030 L1091 V1092 W1097 H1098 A1099M814-V1095 HydrophobicContact CB-CG2 3.85Å; M814-V1095 HydrophobicContact CE-CG1 4.49Å; M814-V1095 HydrophobicContact CG-CG2 4.06Å; M814-V1095 HydrophobicContact SD-CG1 3.75Å; M814-V1095 HydrophobicContact SD-CG2 4.03Å; F817-V1095 HydrophobicContact CD1-CG1 4.15Å; F817-V1095 HydrophobicContact CE1-CG1 4.08Å; F1030-V1095 HydrophobicContact CD2-CG2 4.11Å; F1030-V1095 HydrophobicContact CE2-CG2 3.78Å; L1091-V1095 HydrophobicContact CD2-CG2 4.41Å; L1091-V1095 WeakPolarHBondContact O-CG2 3.39Å; L1091-V1095 PolarHBondContact O-N 3.26Å; V1092-V1095 PolarHBondContact O-N 2.85Å; V1095-W1097 VanDerWaalsContact C-N 3.32Å; V1095-W1097 PolarHBondContact O-N 3.07Å; V1095-H1098 PolarHBondContact O-N 2.99Å; V1095-A1099 PolarHBondContact O-N 3.18Å
1096V93.5Very high90.6Very high48 Ų4832.2 Ų32.229%0.29118%0.175SC..Hα-helixtrans-66.6-32.9179.2175.50000111.9W985 V1092 T1094 H1098 A1099 I1100W985-V1096 HydrophobicContact CD2-CG1 4.34Å; W985-V1096 HydrophobicContact CH2-CB 4.49Å; W985-V1096 HydrophobicContact CH2-CG1 3.73Å; W985-V1096 HydrophobicContact CZ2-CB 3.68Å; W985-V1096 HydrophobicContact CZ2-CG1 3.31Å; W985-V1096 HydrophobicContact CZ2-CG2 4.48Å; W985-V1096 HydrophobicContact CZ3-CG1 4.38Å; V1092-V1096 HydrophobicContact CG1-CG2 4.22Å; V1092-V1096 WeakPolarHBondContact O-CG2 3.36Å; V1092-V1096 PolarHBondContact O-N 2.99Å; T1094-V1096 PolarHBondContact O-N 3.04Å; V1096-H1098 PolarHBondContact O-N 3.37Å; V1096-A1099 PolarHBondContact O-N 3.12Å; V1096-I1100 HydrophobicContact CG1-CD1 3.89Å; V1096-I1100 HydrophobicContact CG1-CG1 4.31Å; V1096-I1100 WeakPolarHBondContact O-CD1 3.42Å; V1096-I1100 VanDerWaalsContact O-CG1 3.31Å; V1096-I1100 WeakPolarHBondContact O-CG1 3.35Å; V1096-I1100 PolarHBondContact O-N 3.15Å
1097W94.5Very high90.1Very high43.6 Ų43.632.7 Ų32.717%0.16518%0.175CC..Hα-helixtrans-57.4-49.5172.4-175.186.3000111.6W985 V989 H1022 G1023 T1026 V1093 T1094 V1095 A1099 I1100 A1101W985-W1097 AromaticContact CD1-CD1 3.88Å; V989-W1097 HydrophobicContact CG2-CB 4.32Å; H1022-W1097 HydrophobicContact CB-CZ2 4.08Å; G1023-W1097 VanDerWaalsContact CA-CH2 3.46Å; T1026-W1097 HydrophobicContact CG2-CB 4.35Å; T1026-W1097 HydrophobicContact CG2-CD2 3.9Å; T1026-W1097 HydrophobicContact CG2-CE3 4Å; T1026-W1097 HydrophobicContact CG2-CG 4.05Å; T1026-W1097 WeakPolarHBondContact OG1-CZ3 3.39Å; V1093-W1097 PolarHBondContact O-N 3.17Å; V1093-W1097 VanDerWaalsContact O-N 3.15Å; T1094-W1097 WeakPolarHBondContact O-CB 3.36Å; T1094-W1097 PolarHBondContact O-N 3.26Å; V1095-W1097 VanDerWaalsContact C-N 3.32Å; V1095-W1097 PolarHBondContact O-N 3.07Å; W1097-A1099 VanDerWaalsContact C-N 3.34Å; W1097-A1099 PolarHBondContact O-N 3.19Å; W1097-I1100 PolarHBondContact O-N 3.25Å; W1097-A1101 HydrophobicContact CZ3-CB 4.48Å; W1097-A1101 WeakPolarHBondContact O-CB 3.44Å; W1097-A1101 PolarHBondContact O-N 3.14Å
1098H91.6Very high89.6Confident13.8 Ų13.834.7 Ų34.76%0.06418%0.183CC..Hα-helixtrans-62.8-39175.5-84.6-83.3000112F817 Q818 T1026 T1027 T1094 V1095 V1096 I1100 A1101 Y1102F817-H1098 HydrophobicContact CD1-CB 4.46Å; F817-H1098 HydrophobicContact CE1-CB 3.95Å; Q818-H1098 VanDerWaalsContact CD-CD2 3.44Å; Q818-H1098 HydrophobicContact CG-CB 4.25Å; Q818-H1098 VanDerWaalsContact CG-CD2 3.42Å; Q818-H1098 WeakPolarHBondContact CG-CD2 3.38Å; Q818-H1098 PolarHBondContact O-CE1 3.06Å; Q818-H1098 VanDerWaalsContact O-CE1 3.28Å; Q818-H1098 PolarHBondContact O-ND1 3.05Å; Q818-H1098 PolarHBondContact OE1-CD2 3.47Å; Q818-H1098 PolarHBondContact OE1-NE2 3.16Å; T1026-H1098 PolarHBondContact OG1-NE2 3.03Å; T1027-H1098 PolarHBondContact OG1-CE1 3.09Å; T1027-H1098 PolarHBondContact OG1-NE2 3.21Å; T1094-H1098 PolarHBondContact O-N 2.92Å; V1095-H1098 PolarHBondContact O-N 2.99Å; V1096-H1098 PolarHBondContact O-N 3.37Å; H1098-I1100 PolarHBondContact O-N 3.06Å; H1098-A1101 PolarHBondContact O-N 2.99Å; H1098-Y1102 HydrophobicContact CB-CD2 4.37Å; H1098-Y1102 HydrophobicContact CB-CE2 4.19Å; H1098-Y1102 WeakPolarHBondContact O-CB 3.43Å; H1098-Y1102 WeakPolarHBondContact O-CD2 3.37Å; H1098-Y1102 PolarHBondContact O-N 2.88Å
1099A91.5Very high89Confident39.6 Ų39.636.5 Ų36.533%0.32719%0.188SC..Hα-helixtrans-63.2-39.617600000113.2F817 V1095 V1096 W1097 R1103F817-A1099 HydrophobicContact CE1-CB 4.22Å; F817-A1099 HydrophobicContact CZ-CB 3.9Å; V1095-A1099 PolarHBondContact O-N 3.18Å; V1096-A1099 PolarHBondContact O-N 3.12Å; W1097-A1099 VanDerWaalsContact C-N 3.34Å; W1097-A1099 PolarHBondContact O-N 3.19Å; A1099-R1103 WeakPolarHBondContact O-CB 3.38Å; A1099-R1103 PolarHBondContact O-N 3.26Å
1100I91.3Very high88.3Confident4.8 Ų4.836.3 Ų36.33%0.02518%0.181CC..Hα-helixtrans-63.2-48.6172.2-66.1155.7000109.8W978 F981 E982 W985 V1096 W1097 H1098 Y1102 R1103 Q1104W978-I1100 HydrophobicContact CE3-CG1 4.23Å; W978-I1100 HydrophobicContact CZ3-CG1 3.89Å; F981-I1100 HydrophobicContact CB-CD1 3.99Å; F981-I1100 HydrophobicContact CB-CG1 4.45Å; F981-I1100 HydrophobicContact CB-CG2 4.4Å; E982-I1100 HydrophobicContact CB-CG2 4.21Å; W985-I1100 HydrophobicContact CB-CD1 3.91Å; W985-I1100 HydrophobicContact CD2-CD1 3.49Å; W985-I1100 VanDerWaalsContact CD2-CD1 3.47Å; W985-I1100 HydrophobicContact CE3-CD1 3.7Å; W985-I1100 HydrophobicContact CG-CD1 3.59Å; W985-I1100 HydrophobicContact CZ3-CD1 4.46Å; V1096-I1100 HydrophobicContact CG1-CD1 3.89Å; V1096-I1100 HydrophobicContact CG1-CG1 4.31Å; V1096-I1100 WeakPolarHBondContact O-CD1 3.42Å; V1096-I1100 VanDerWaalsContact O-CG1 3.31Å; V1096-I1100 WeakPolarHBondContact O-CG1 3.35Å; V1096-I1100 PolarHBondContact O-N 3.15Å; W1097-I1100 PolarHBondContact O-N 3.25Å; H1098-I1100 PolarHBondContact O-N 3.06Å; I1100-Y1102 PolarHBondContact O-N 3.13Å; I1100-R1103 PolarHBondContact O-N 3.13Å; I1100-Q1104 HydrophobicContact CG2-CG 4.43Å; I1100-Q1104 WeakPolarHBondContact O-CG 3.39Å; I1100-Q1104 PolarHBondContact O-N 3.08Å
1101A88Confident87.3Confident36 Ų3643.4 Ų43.430%0.29822%0.219SC..Hα-helixtrans-59.9-4418000000112.4W1097 H1098 Q1104 R1105W1097-A1101 HydrophobicContact CZ3-CB 4.48Å; W1097-A1101 WeakPolarHBondContact O-CB 3.44Å; W1097-A1101 PolarHBondContact O-N 3.14Å; H1098-A1101 PolarHBondContact O-N 2.99Å; A1101-Q1104 PolarHBondContact O-N 3.06Å; A1101-R1105 WeakPolarHBondContact O-CB 3.29Å; A1101-R1105 PolarHBondContact O-N 3.29Å
1102Y87.2Confident86.3Confident38 Ų3852.1 Ų52.115%0.14926%0.257CS..Hα-helixtrans-67.5-40175.6-71.2-54.5000112.7F817 Q818 Y821 H1098 I1100 Q1104 R1105 Q1106F817-Y1102 HydrophobicContact CE1-CD2 4.39Å; F817-Y1102 HydrophobicContact CE1-CE2 4.49Å; F817-Y1102 HydrophobicContact CE2-CD2 4.17Å; F817-Y1102 HydrophobicContact CE2-CE2 4.45Å; F817-Y1102 AromaticContact CZ-CD2 3.91Å; F817-Y1102 HydrophobicContact CZ-CD2 3.91Å; F817-Y1102 HydrophobicContact CZ-CE2 4.39Å; F817-Y1102 VanDerWaalsContact O-CE2 3.28Å; F817-Y1102 WeakPolarHBondContact O-CE2 3.35Å; F817-Y1102 PolarHBondContact O-OH 3.15Å; Q818-Y1102 PolarHBondContact O-OH 3.19Å; Y821-Y1102 HydrophobicContact CD2-CD1 4.32Å; Y821-Y1102 AromaticContact CD2-CD2 3.95Å; Y821-Y1102 HydrophobicContact CD2-CD2 3.95Å; Y821-Y1102 HydrophobicContact CD2-CE1 4.49Å; Y821-Y1102 HydrophobicContact CD2-CE2 4.27Å; Y821-Y1102 AromaticContact CD2-CG 3.97Å; Y821-Y1102 HydrophobicContact CD2-CG 4.02Å; Y821-Y1102 HydrophobicContact CE2-CG 4.49Å; Y821-Y1102 HydrophobicContact CG-CD1 4.3Å; Y821-Y1102 HydrophobicContact CG-CE1 4.36Å; Y821-Y1102 HydrophobicContact CG-CG 4.4Å; H1098-Y1102 HydrophobicContact CB-CD2 4.37Å; H1098-Y1102 HydrophobicContact CB-CE2 4.19Å; H1098-Y1102 WeakPolarHBondContact O-CB 3.43Å; H1098-Y1102 WeakPolarHBondContact O-CD2 3.37Å; H1098-Y1102 PolarHBondContact O-N 2.88Å; I1100-Y1102 PolarHBondContact O-N 3.13Å; Y1102-Q1104 VanDerWaalsContact C-N 3.34Å; Y1102-Q1104 PolarHBondContact O-N 3.08Å; Y1102-R1105 PolarHBondContact O-N 3.15Å; Y1102-Q1106 VanDerWaalsContact O-CG 3.31Å; Y1102-Q1106 WeakPolarHBondContact O-CG 3.39Å; Y1102-Q1106 PolarHBondContact O-N 3.16Å
1103R87Confident85.4Confident45 Ų4551.1 Ų51.117%0.1725%0.249CC..Hα-helixtrans-60.8-45.1173.8-174.6-134.2175.8-103.62.2111.2N975 W978 A1099 I1100 Q1106 F1107N975-R1103 PolarHBondContact OD1-NH1 3.3Å; N975-R1103 PolarHBondContact OD1-NH2 3.09Å; W978-R1103 VanDerWaalsContact CD1-NE 3.28Å; W978-R1103 VanDerWaalsContact CD1-NH2 3.32Å; W978-R1103 VanDerWaalsContact CD2-CD 3.41Å; W978-R1103 VanDerWaalsContact CE3-CD 3.47Å; W978-R1103 VanDerWaalsContact CG-CZ 3.46Å; W978-R1103 VanDerWaalsContact CG-NE 3.33Å; A1099-R1103 WeakPolarHBondContact O-CB 3.38Å; A1099-R1103 PolarHBondContact O-N 3.26Å; I1100-R1103 PolarHBondContact O-N 3.13Å; R1103-Q1106 WeakPolarHBondContact O-CB 3.29Å; R1103-Q1106 PolarHBondContact O-N 3.19Å; R1103-F1107 WeakPolarHBondContact O-CB 3.3Å; R1103-F1107 PolarHBondContact O-N 3.26Å
1104Q85.2Confident84.5Confident4 Ų456.4 Ų56.42%0.01928%0.281CS..Hα-helixtrans-66.9-39.7178.4-66.3-65.751.700111.6W978 E982 I1100 A1101 Y1102 Q1106 F1107 Y1108W978-Q1104 PolarHBondContact O-NE2 3.1Å; W978-Q1104 VanDerWaalsContact O-NE2 3.1Å; E982-Q1104 HydrophobicContact CB-CG 4.13Å; E982-Q1104 HydrophobicContact CG-CB 4.5Å; E982-Q1104 HydrophobicContact CG-CG 4.05Å; E982-Q1104 PolarHBondContact OE2-NE2 3.11Å; I1100-Q1104 HydrophobicContact CG2-CG 4.43Å; I1100-Q1104 WeakPolarHBondContact O-CG 3.39Å; I1100-Q1104 PolarHBondContact O-N 3.08Å; A1101-Q1104 PolarHBondContact O-N 3.06Å; Y1102-Q1104 VanDerWaalsContact C-N 3.34Å; Y1102-Q1104 PolarHBondContact O-N 3.08Å; Q1104-Q1106 VanDerWaalsContact C-N 3.29Å; Q1104-Q1106 PolarHBondContact O-N 3.18Å; Q1104-F1107 PolarHBondContact O-N 3.3Å; Q1104-Y1108 HydrophobicContact CB-CD2 4.28Å; Q1104-Y1108 HydrophobicContact CB-CE2 4.11Å; Q1104-Y1108 WeakPolarHBondContact O-CD2 3.35Å; Q1104-Y1108 PolarHBondContact O-N 3.07Å
1105R84.3Confident83.7Confident186.6 Ų186.664.2 Ų64.270%0.70431%0.31SS*.Hα-helixtrans-60.5-36.8172.6-170.6173.3-177.5169.72.1112.4A1101 Y1102 N1109A1101-R1105 WeakPolarHBondContact O-CB 3.29Å; A1101-R1105 PolarHBondContact O-N 3.29Å; Y1102-R1105 PolarHBondContact O-N 3.15Å; R1105-N1109 WeakPolarHBondContact O-CB 3.33Å; R1105-N1109 PolarHBondContact O-N 3.14Å
1106Q82.5Confident82.9Confident18.2 Ų18.264.6 Ų64.69%0.08531%0.313CS..Hα-helixtrans-68.4-40.8173.5-72.1171.81.900112.5Y821 L913 F916 Y1102 R1103 Q1104 N1109Y821-Q1106 PolarHBondContact OH-NE2 3.08Å; Y821-Q1106 VanDerWaalsContact OH-NE2 3.13Å; L913-Q1106 HydrophobicContact CD2-CG 4.39Å; F916-Q1106 HydrophobicContact CD2-CB 4.18Å; F916-Q1106 VanDerWaalsContact CD2-O 3.3Å; F916-Q1106 WeakPolarHBondContact CD2-O 3.41Å; F916-Q1106 HydrophobicContact CE2-CB 4.17Å; Y1102-Q1106 VanDerWaalsContact O-CG 3.31Å; Y1102-Q1106 WeakPolarHBondContact O-CG 3.39Å; Y1102-Q1106 PolarHBondContact O-N 3.16Å; R1103-Q1106 WeakPolarHBondContact O-CB 3.29Å; R1103-Q1106 PolarHBondContact O-N 3.19Å; Q1104-Q1106 VanDerWaalsContact C-N 3.29Å; Q1104-Q1106 PolarHBondContact O-N 3.18Å; Q1106-N1109 WeakPolarHBondContact O-CB 3.35Å; Q1106-N1109 PolarHBondContact O-N 3.02Å
1107F81.1Confident81.9Confident29.8 Ų29.864.2 Ų64.213%0.13132%0.319CS..Hα-helixtrans-66.4-45.6-178.8-176.9-103.7000112.4F916 N975 R1103 Q1104 N1109 I1113F916-F1107 HydrophobicContact CE1-CD2 4.3Å; F916-F1107 HydrophobicContact CZ-CD2 4.42Å; N975-F1107 HydrophobicContact CB-CZ 4.4Å; N975-F1107 WeakPolarHBondContact OD1-CE2 3.45Å; R1103-F1107 WeakPolarHBondContact O-CB 3.3Å; R1103-F1107 PolarHBondContact O-N 3.26Å; Q1104-F1107 PolarHBondContact O-N 3.3Å; F1107-N1109 VanDerWaalsContact C-N 3.26Å; F1107-N1109 PolarHBondContact O-N 3.18Å; F1107-I1113 HydrophobicContact CD1-CG2 4.41Å; F1107-I1113 HydrophobicContact CD2-CD1 4.5Å; F1107-I1113 HydrophobicContact CE1-CD1 4.37Å; F1107-I1113 HydrophobicContact CE1-CG2 3.88Å; F1107-I1113 HydrophobicContact CE2-CD1 4.11Å; F1107-I1113 HydrophobicContact CZ-CD1 3.99Å; F1107-I1113 HydrophobicContact CZ-CG2 4.37Å
1108Y81.4Confident80.8Confident42.8 Ų42.868.6 Ų68.617%0.16834%0.341CS..THydrogen-bonded Turntrans-81.79175.7-57.7-62.1000114.1Q1104 N1110 I1113 R1115Q1104-Y1108 HydrophobicContact CB-CD2 4.28Å; Q1104-Y1108 HydrophobicContact CB-CE2 4.11Å; Q1104-Y1108 WeakPolarHBondContact O-CD2 3.35Å; Q1104-Y1108 PolarHBondContact O-N 3.07Å; Y1108-N1110 VanDerWaalsContact C-N 3.27Å; Y1108-I1113 HydrophobicContact CD1-CG2 4.02Å; Y1108-I1113 HydrophobicContact CE1-CG2 4.24Å; Y1108-R1115 HydrophobicContact CD1-CB 3.84Å; Y1108-R1115 HydrophobicContact CD1-CG 4.07Å; Y1108-R1115 HydrophobicContact CD2-CB 4.3Å; Y1108-R1115 HydrophobicContact CD2-CG 3.77Å; Y1108-R1115 HydrophobicContact CE1-CB 4.23Å; Y1108-R1115 HydrophobicContact CE1-CG 4.16Å; Y1108-R1115 HydrophobicContact CE2-CG 3.87Å; Y1108-R1115 HydrophobicContact CG-CB 3.89Å; Y1108-R1115 HydrophobicContact CG-CG 3.89Å
1109N79.5Confident80Confident57 Ų5769.6 Ų69.631%0.30536%0.355SS..THydrogen-bonded Turntrans-85.82.2172.2-164.237.7000112.2L913 Q917 R1105 Q1106 F1107L913-N1109 PolarHBondContact O-ND2 3.11Å; Q917-N1109 VanDerWaalsContact CD-O 3.29Å; Q917-N1109 WeakPolarHBondContact CG-O 3.41Å; Q917-N1109 PolarHBondContact NE2-ND2 3.03Å; Q917-N1109 PolarHBondContact NE2-O 3.23Å; Q917-N1109 PolarHBondContact NE2-OD1 3.1Å; Q917-N1109 PolarHBondContact OE1-ND2 3.09Å; R1105-N1109 WeakPolarHBondContact O-CB 3.33Å; R1105-N1109 PolarHBondContact O-N 3.14Å; Q1106-N1109 WeakPolarHBondContact O-CB 3.35Å; Q1106-N1109 PolarHBondContact O-N 3.02Å; F1107-N1109 VanDerWaalsContact C-N 3.26Å; F1107-N1109 PolarHBondContact O-N 3.18Å
1110N76.4Confident79.5Confident33.6 Ų33.668.3 Ų68.318%0.1834%0.342CS..SBendtrans-97.3121.4177.1174.81.7000109.5F916 Y1108 K1112 I1113F916-N1110 HydrophobicContact CB-CB 4Å; F916-N1110 WeakPolarHBondContact O-CB 3.3Å; F916-N1110 VanDerWaalsContact O-CG 3.24Å; F916-N1110 PolarHBondContact O-ND2 3.12Å; Y1108-N1110 VanDerWaalsContact C-N 3.27Å; N1110-K1112 PolarHBondContact O-N 3.15Å; N1110-K1112 WeakPolarHBondContact OD1-CB 3.43Å; N1110-K1112 PolarHBondContact OD1-N 3.01Å; N1110-K1112 VanDerWaalsContact OD1-N 3.14Å; N1110-I1113 HydrophobicContact CB-CD1 4.41Å; N1110-I1113 HydrophobicContact CB-CG1 4.43Å; N1110-I1113 PolarHBondContact O-N 3.19Å
1111D71.2Confident79.2Confident152.2 Ų152.268.5 Ų68.581%0.81434%0.343SS*.THydrogen-bonded Turntrans-58.3-19.7-175.3-48.5-51.7000113.6I1113D1111-I1113 VanDerWaalsContact C-N 3.32Å; D1111-I1113 PolarHBondContact O-N 3.11Å
1112K72.1Confident79Confident190.4 Ų190.469 Ų6983%0.82834%0.339SS*.THydrogen-bonded Turntrans-79.1-6.5175.9-59.3-173.4179.1-1740114.5N1110N1110-K1112 PolarHBondContact O-N 3.15Å; N1110-K1112 WeakPolarHBondContact OD1-CB 3.43Å; N1110-K1112 PolarHBondContact OD1-N 3.01Å; N1110-K1112 VanDerWaalsContact OD1-N 3.14Å
1113I73.6Confident78.4Confident53.2 Ų53.271.7 Ų71.727%0.27336%0.361SS..  trans-128.895.8-171.7-51.4-179.4000110.4F1107 Y1108 N1110 D1111 R1115F1107-I1113 HydrophobicContact CD1-CG2 4.41Å; F1107-I1113 HydrophobicContact CD2-CD1 4.5Å; F1107-I1113 HydrophobicContact CE1-CD1 4.37Å; F1107-I1113 HydrophobicContact CE1-CG2 3.88Å; F1107-I1113 HydrophobicContact CE2-CD1 4.11Å; F1107-I1113 HydrophobicContact CZ-CD1 3.99Å; F1107-I1113 HydrophobicContact CZ-CG2 4.37Å; Y1108-I1113 HydrophobicContact CD1-CG2 4.02Å; Y1108-I1113 HydrophobicContact CE1-CG2 4.24Å; N1110-I1113 HydrophobicContact CB-CD1 4.41Å; N1110-I1113 HydrophobicContact CB-CG1 4.43Å; N1110-I1113 PolarHBondContact O-N 3.19Å; D1111-I1113 VanDerWaalsContact C-N 3.32Å; D1111-I1113 PolarHBondContact O-N 3.11Å; I1113-R1115 PolarHBondContact O-N 3.03Å
1114T74.4Confident77.9Confident129.4 Ų129.472.8 Ų72.879%0.79439%0.387SS*.PPolyproline II helixtrans-67.2139.6173.650.60000111.4P1116T1114-P1116 WeakPolarHBondContact O-CD 3.41Å
1115R78.5Confident77.7Confident165 Ų16573 Ų7362%0.62339%0.388SS*.PPolyproline II helixtrans-79.4121.9179.2-172.7175.3-174.7-145.92.5110.4E982 Y1108 I1113E982-R1115 IonicContact OE1-CZ 2.97Å; E982-R1115 IonicContact OE1-NE 2.99Å; E982-R1115 PolarHBondContact OE1-NE 3.07Å; E982-R1115 IonicContact OE1-NH2 3.02Å; E982-R1115 PolarHBondContact OE1-NH2 3.11Å; Y1108-R1115 HydrophobicContact CD1-CB 3.84Å; Y1108-R1115 HydrophobicContact CD1-CG 4.07Å; Y1108-R1115 HydrophobicContact CD2-CB 4.3Å; Y1108-R1115 HydrophobicContact CD2-CG 3.77Å; Y1108-R1115 HydrophobicContact CE1-CB 4.23Å; Y1108-R1115 HydrophobicContact CE1-CG 4.16Å; Y1108-R1115 HydrophobicContact CE2-CG 3.87Å; Y1108-R1115 HydrophobicContact CG-CB 3.89Å; Y1108-R1115 HydrophobicContact CG-CG 3.89Å; I1113-R1115 PolarHBondContact O-N 3.03Å
1116P75.7Confident77.6Confident26.2 Ų26.266.5 Ų66.517%0.1737%0.37CS..PPolyproline II helixtrans-70.4151.6178.826.3-31000112.3R979 T1114 I1120 P1123R979-P1116 PolarHBondContact NH2-O 3.31Å; T1114-P1116 WeakPolarHBondContact O-CD 3.41Å; P1116-I1120 HydrophobicContact CB-CB 4.49Å; P1116-I1120 HydrophobicContact CB-CG2 4.46Å; P1116-P1123 HydrophobicContact CB-CB 4.06Å; P1116-P1123 HydrophobicContact CB-CG 4.49Å; P1116-P1123 HydrophobicContact CG-CB 4.41Å
1117G72.1Confident77.6Confident40 Ų4068.8 Ų68.841%0.41238%0.381SS..PPolyproline II helixtrans-56.5158.5-175.600000114.6R979 G1119 I1120R979-G1117 PolarHBondContact NH2-O 3.12Å; G1117-G1119 PolarHBondContact O-N 2.84Å; G1117-I1120 WeakPolarHBondContact O-CB 3.32Å; G1117-I1120 PolarHBondContact O-N 3.24Å; G1117-I1120 VanDerWaalsContact O-N 3.11Å
1118E72.1Confident77.5Confident135.4 Ų135.473.5 Ų73.563%0.63341%0.408SS*.THydrogen-bonded Turntrans-52.1128.2-175.6-69.9-169.2-173.900112.6I1120 R1266E1118-I1120 VanDerWaalsContact C-N 3.27Å; E1118-I1120 PolarHBondContact O-N 3.2Å; E1118-R1266 IonicContact OE1-NH2 3.55Å; E1118-R1266 PolarHBondContact OE1-NH2 2.86Å; E1118-R1266 IonicContact OE2-CZ 3.38Å; E1118-R1266 IonicContact OE2-NE 3.86Å; E1118-R1266 IonicContact OE2-NH2 3.27Å; E1118-R1266 PolarHBondContact OE2-NH2 3.18Å
1119G74.8Confident77.5Confident33.4 Ų33.472.4 Ų72.434%0.34441%0.407SS..THydrogen-bonded Turntrans82-14.2178.300000115.7I983 G1117I983-G1119 WeakPolarHBondContact CD1-O 3.43Å; G1117-G1119 PolarHBondContact O-N 2.84Å
1120I82.1Confident77.5Confident12.4 Ų12.472.4 Ų72.46%0.06441%0.406CS..  trans-78.2127.7-179.7-56.4173.1000109.9R979 P1116 G1117 E1118 Y1144R979-I1120 VanDerWaalsContact CZ-O 3.31Å; R979-I1120 PolarHBondContact NE-O 2.98Å; R979-I1120 PolarHBondContact NH2-O 3.29Å; P1116-I1120 HydrophobicContact CB-CB 4.49Å; P1116-I1120 HydrophobicContact CB-CG2 4.46Å; G1117-I1120 WeakPolarHBondContact O-CB 3.32Å; G1117-I1120 PolarHBondContact O-N 3.24Å; G1117-I1120 VanDerWaalsContact O-N 3.11Å; E1118-I1120 VanDerWaalsContact C-N 3.27Å; E1118-I1120 PolarHBondContact O-N 3.2Å; I1120-Y1144 WeakPolarHBondContact CD1-OH 3.39Å; I1120-Y1144 HydrophobicContact CG1-CE1 4.39Å
1121I83.1Confident77.4Confident9.8 Ų9.871.8 Ų71.85%0.0541%0.407CS..SBendtrans-96.5-45.9174.8-62.3166.3000110.5R979 F980 I983 P1123 F1142 N1143R979-I1121 HydrophobicContact CG-CB 4.48Å; R979-I1121 HydrophobicContact CG-CG1 4.44Å; R979-I1121 HydrophobicContact CG-CG2 4.43Å; F980-I1121 HydrophobicContact CB-CD1 4.42Å; F980-I1121 HydrophobicContact CD2-CD1 3.99Å; I983-I1121 HydrophobicContact CD1-CG1 3.66Å; I1121-P1123 WeakPolarHBondContact O-CD 3.38Å; I1121-F1142 HydrophobicContact CD1-CB 4.44Å; I1121-N1143 PolarHBondContact N-OD1 3.07Å
1122F84.3Confident77.8Confident46.2 Ų46.272.2 Ų72.220%0.20340%0.399CS..  trans-109.7100.8-177.3-58-77.9000110.2H976 G1124 V1125 K1139 F1142 N1143H976-F1122 HydrophobicContact CB-CE1 4.47Å; H976-F1122 AromaticContact CD2-CD1 3.39Å; H976-F1122 VanDerWaalsContact CD2-CD1 3.43Å; H976-F1122 WeakPolarHBondContact CD2-CD1 3.35Å; H976-F1122 AromaticContact CD2-CE1 3.29Å; H976-F1122 WeakPolarHBondContact CD2-CE1 3.43Å; H976-F1122 AromaticContact CG-CE1 3.92Å; H976-F1122 AromaticContact NE2-CD1 3.46Å; H976-F1122 WeakPolarHBondContact NE2-CD1 3.4Å; H976-F1122 AromaticContact NE2-CE1 3.67Å; F1122-G1124 VanDerWaalsContact C-N 3.3Å; F1122-G1124 PolarHBondContact O-N 3.09Å; F1122-V1125 HydrophobicContact CB-CG2 4.39Å; F1122-K1139 HydrophobicContact CB-CB 4.22Å; F1122-K1139 HydrophobicContact CB-CD 4.36Å; F1122-K1139 HydrophobicContact CB-CG 4.4Å; F1122-K1139 HydrophobicContact CD1-CD 4.33Å; F1122-K1139 HydrophobicContact CD1-CG 4.14Å; F1122-K1139 HydrophobicContact CD2-CB 3.84Å; F1122-K1139 HydrophobicContact CD2-CG 3.97Å; F1122-K1139 HydrophobicContact CE1-CG 4.39Å; F1122-K1139 HydrophobicContact CE2-CB 4.41Å; F1122-K1139 HydrophobicContact CE2-CG 4.26Å; F1122-K1139 HydrophobicContact CG-CB 4.03Å; F1122-K1139 HydrophobicContact CG-CD 4.34Å; F1122-K1139 HydrophobicContact CG-CG 3.91Å; F1122-K1139 HydrophobicContact CZ-CG 4.42Å; F1122-F1142 HydrophobicContact CD2-CB 4.39Å; F1122-F1142 HydrophobicContact CE2-CB 3.99Å; F1122-F1142 HydrophobicContact CE2-CD2 4.28Å; F1122-F1142 HydrophobicContact CE2-CG 4.4Å; F1122-N1143 PolarHBondContact N-OD1 3.17Å; F1122-N1143 PolarHBondContact O-ND2 3.07Å
1123P75.8Confident78.3Confident94.2 Ų94.267.4 Ų67.461%0.61238%0.382SS*.THydrogen-bonded Turntrans-73.7-7.3-169.727.6-35000115.2P1116 I1121 V1125P1116-P1123 HydrophobicContact CB-CB 4.06Å; P1116-P1123 HydrophobicContact CB-CG 4.49Å; P1116-P1123 HydrophobicContact CG-CB 4.41Å; I1121-P1123 WeakPolarHBondContact O-CD 3.38Å; P1123-V1125 PolarHBondContact O-N 2.93Å; P1123-V1125 VanDerWaalsContact O-N 3.15Å
1124G75.4Confident78.9Confident69.6 Ų69.669 Ų6972%0.71839%0.39SS*.THydrogen-bonded Turntrans-103.622.9-177.800000115F1122F1122-G1124 VanDerWaalsContact C-N 3.3Å; F1122-G1124 PolarHBondContact O-N 3.09Å
1125V82Confident79.5Confident6.8 Ų6.868.2 Ų68.24%0.04138%0.381CS..  trans-132.195.6-173.7-177.70000110.8F1122 P1123 S1129 N1136 K1139 F1140 Y1144F1122-V1125 HydrophobicContact CB-CG2 4.39Å; P1123-V1125 PolarHBondContact O-N 2.93Å; P1123-V1125 VanDerWaalsContact O-N 3.15Å; V1125-S1129 WeakPolarHBondContact CA-OG 3.4Å; V1125-S1129 WeakPolarHBondContact CG1-OG 3.34Å; V1125-N1136 HydrophobicContact CG1-CB 4.42Å; V1125-N1136 WeakPolarHBondContact CG1-O 3.1Å; V1125-K1139 HydrophobicContact CB-CB 4.35Å; V1125-K1139 HydrophobicContact CG1-CB 4.15Å; V1125-K1139 HydrophobicContact CG2-CB 3.82Å; V1125-K1139 HydrophobicContact CG2-CD 3.6Å; V1125-K1139 HydrophobicContact CG2-CG 4.38Å; V1125-F1140 HydrophobicContact CG1-CB 3.86Å; V1125-F1140 HydrophobicContact CG1-CD2 4.42Å; V1125-Y1144 WeakPolarHBondContact O-CE2 3.31Å
1126T81.9Confident79.9Confident51.6 Ų51.661.6 Ų61.632%0.31736%0.358SS..  trans-95.1170.1172.8620000111.1N1128 S1129 M1130 D1280T1126-N1128 VanDerWaalsContact C-N 3.28Å; T1126-N1128 PolarHBondContact O-N 3.01Å; T1126-S1129 PolarHBondContact N-OG 3.24Å; T1126-S1129 VanDerWaalsContact N-OG 3.09Å; T1126-S1129 WeakPolarHBondContact O-CB 3.37Å; T1126-S1129 PolarHBondContact O-N 3.18Å; T1126-S1129 PolarHBondContact O-OG 3.17Å; T1126-M1130 PolarHBondContact O-N 2.91Å; T1126-D1280 HydrophobicContact CG2-CB 4.22Å
1127I81.5Confident80.4Confident65.2 Ų65.262 Ų6233%0.33436%0.359SS..G310 helixtrans-53.6-40.6176.4-171.8170.1000113.1S1129 M1130 F1140 D1280I1127-S1129 VanDerWaalsContact C-N 3.27Å; I1127-S1129 PolarHBondContact O-N 3.18Å; I1127-M1130 WeakPolarHBondContact O-CB 3.4Å; I1127-M1130 PolarHBondContact O-N 3.17Å; I1127-M1130 VanDerWaalsContact O-N 3.1Å; I1127-F1140 HydrophobicContact CB-CE2 3.99Å; I1127-F1140 HydrophobicContact CB-CZ 4.34Å; I1127-F1140 HydrophobicContact CG1-CE2 4.48Å; I1127-F1140 HydrophobicContact CG1-CZ 4.43Å; I1127-D1280 PolarHBondContact N-O 2.94Å
1128N79.2Confident81.2Confident129.2 Ų129.263.4 Ų63.469%0.69136%0.36SS*.G310 helixtrans-63.8-30.7178.3-59.921.1000112.2T1126 M1130 G1131 Y1132T1126-N1128 VanDerWaalsContact C-N 3.28Å; T1126-N1128 PolarHBondContact O-N 3.01Å; N1128-M1130 VanDerWaalsContact C-N 3.28Å; N1128-M1130 PolarHBondContact O-N 3.09Å; N1128-G1131 PolarHBondContact O-N 3.07Å; N1128-Y1132 WeakPolarHBondContact O-CE2 3.37Å
1129S81.8Confident82.1Confident19 Ų1959.7 Ų59.713%0.13334%0.342CS..G310 helixtrans-73.5-10.4177.475.70000114.2V1125 T1126 I1127 G1131 N1136V1125-S1129 WeakPolarHBondContact CA-OG 3.4Å; V1125-S1129 WeakPolarHBondContact CG1-OG 3.34Å; T1126-S1129 PolarHBondContact N-OG 3.24Å; T1126-S1129 VanDerWaalsContact N-OG 3.09Å; T1126-S1129 WeakPolarHBondContact O-CB 3.37Å; T1126-S1129 PolarHBondContact O-N 3.18Å; T1126-S1129 PolarHBondContact O-OG 3.17Å; I1127-S1129 VanDerWaalsContact C-N 3.27Å; I1127-S1129 PolarHBondContact O-N 3.18Å; S1129-G1131 VanDerWaalsContact C-N 3.25Å; S1129-G1131 PolarHBondContact O-N 3.06Å; S1129-N1136 WeakPolarHBondContact O-CB 3.33Å
1130M79.9Confident82.8Confident57.8 Ų57.858.7 Ų58.729%0.28533%0.328SS..G310 helixtrans-72.2-11.4178.5-164.6-174.8171.300113.1T1126 I1127 N1128 V1137 F1140 L1308 R1312T1126-M1130 PolarHBondContact O-N 2.91Å; I1127-M1130 WeakPolarHBondContact O-CB 3.4Å; I1127-M1130 PolarHBondContact O-N 3.17Å; I1127-M1130 VanDerWaalsContact O-N 3.1Å; N1128-M1130 VanDerWaalsContact C-N 3.28Å; N1128-M1130 PolarHBondContact O-N 3.09Å; M1130-V1137 HydrophobicContact CE-CG1 4.15Å; M1130-V1137 HydrophobicContact CE-CG2 4.33Å; M1130-V1137 HydrophobicContact CG-CG2 3.79Å; M1130-V1137 WeakPolarHBondContact O-CG2 3.36Å; M1130-F1140 HydrophobicContact CE-CD1 4.28Å; M1130-F1140 HydrophobicContact CG-CB 4.42Å; M1130-F1140 HydrophobicContact CG-CD1 4.45Å; M1130-F1140 HydrophobicContact CG-CG 4.41Å; M1130-F1140 HydrophobicContact SD-CD1 3.72Å; M1130-F1140 HydrophobicContact SD-CE1 3.88Å; M1130-F1140 HydrophobicContact SD-CG 4.2Å; M1130-F1140 HydrophobicContact SD-CZ 4.43Å; M1130-L1308 WeakPolarHBondContact O-CD2 3.44Å; M1130-R1312 PolarHBondContact O-NH2 3.25Å
1131G74.7Confident83.1Confident20.4 Ų20.460.7 Ų60.721%0.2135%0.347CS..G310 helixtrans-79.6-19.3-179.200000116.1N1128 S1129 R1298N1128-G1131 PolarHBondContact O-N 3.07Å; S1129-G1131 VanDerWaalsContact C-N 3.25Å; S1129-G1131 PolarHBondContact O-N 3.06Å; G1131-R1298 PolarHBondContact O-NH1 3.22Å
1132Y79.1Confident83.4Confident162 Ų16266.2 Ų66.264%0.63537%0.37SS*.THydrogen-bonded Turntrans-93.3-63.7-168.6-55.3-79.5000113.1N1128N1128-Y1132 WeakPolarHBondContact O-CE2 3.37Å
1133D82.2Confident83.7Confident88.4 Ų88.464.9 Ų64.947%0.47337%0.365SS..  trans-120.6142.5-167.9-69.3-48.3000113.4L1135 N1136 V1137 L1308D1133-L1135 HydrophobicContact CB-CB 4.4Å; D1133-L1135 PolarHBondContact O-N 3.22Å; D1133-N1136 HydrophobicContact CB-CB 4.31Å; D1133-N1136 PolarHBondContact O-N 3.19Å; D1133-N1136 PolarHBondContact OD2-ND2 2.85Å; D1133-V1137 PolarHBondContact O-N 3.16Å; D1133-V1137 VanDerWaalsContact O-N 3.1Å; D1133-L1308 VanDerWaalsContact C-CD1 3.47Å
1134L86.1Confident84.3Confident87 Ų8760.6 Ų60.646%0.45534%0.337SS..Hα-helixtrans-55.4-35.8168.6-176.764.3000112.1N1136 V1137 V1138L1134-N1136 VanDerWaalsContact C-N 3.31Å; L1134-N1136 PolarHBondContact O-N 3.13Å; L1134-V1137 WeakPolarHBondContact O-CB 3.37Å; L1134-V1137 PolarHBondContact O-N 3.2Å; L1134-V1138 WeakPolarHBondContact O-CG2 3.35Å; L1134-V1138 PolarHBondContact O-N 2.97Å; L1134-V1138 VanDerWaalsContact O-N 3.11Å
1135L87.3Confident85Confident113.2 Ų113.258 Ų5859%0.59331%0.311SS*.Hα-helixtrans-66-32.2176.6-160.2122.1000112.4D1133 V1138 K1139D1133-L1135 HydrophobicContact CB-CB 4.4Å; D1133-L1135 PolarHBondContact O-N 3.22Å; L1135-V1138 PolarHBondContact O-N 3.26Å; L1135-K1139 HydrophobicContact CD2-CD 4.15Å; L1135-K1139 VanDerWaalsContact O-CG 3.25Å; L1135-K1139 WeakPolarHBondContact O-CG 3.36Å; L1135-K1139 PolarHBondContact O-N 3.01Å; L1135-K1139 VanDerWaalsContact O-N 3.11Å
1136N86.3Confident85.5Confident25.6 Ų25.660.7 Ų60.714%0.13732%0.322CS..Hα-helixtrans-77.1-33175.6-65.2-18.7000111.3V1125 S1129 D1133 L1134 V1138 K1139 F1140V1125-N1136 HydrophobicContact CG1-CB 4.42Å; V1125-N1136 WeakPolarHBondContact CG1-O 3.1Å; S1129-N1136 WeakPolarHBondContact O-CB 3.33Å; D1133-N1136 HydrophobicContact CB-CB 4.31Å; D1133-N1136 PolarHBondContact O-N 3.19Å; D1133-N1136 PolarHBondContact OD2-ND2 2.85Å; L1134-N1136 VanDerWaalsContact C-N 3.31Å; L1134-N1136 PolarHBondContact O-N 3.13Å; N1136-V1138 VanDerWaalsContact C-N 3.34Å; N1136-V1138 PolarHBondContact O-N 3.23Å; N1136-K1139 PolarHBondContact O-N 3.05Å; N1136-K1139 PolarHBondContact OD1-NZ 3.17Å; N1136-F1140 VanDerWaalsContact O-CB 3.25Å; N1136-F1140 WeakPolarHBondContact O-CB 3.35Å; N1136-F1140 PolarHBondContact O-N 3.06Å
1137V87.3Confident85.9Confident34 Ų3458.8 Ų58.821%0.20631%0.309CS..Hα-helixtrans-58.6-44.5168173.80000111.5M1130 D1133 L1134 F1140 A1141 L1308M1130-V1137 HydrophobicContact CE-CG1 4.15Å; M1130-V1137 HydrophobicContact CE-CG2 4.33Å; M1130-V1137 HydrophobicContact CG-CG2 3.79Å; M1130-V1137 WeakPolarHBondContact O-CG2 3.36Å; D1133-V1137 PolarHBondContact O-N 3.16Å; D1133-V1137 VanDerWaalsContact O-N 3.1Å; L1134-V1137 WeakPolarHBondContact O-CB 3.37Å; L1134-V1137 PolarHBondContact O-N 3.2Å; V1137-F1140 PolarHBondContact O-N 3.15Å; V1137-A1141 WeakPolarHBondContact O-CB 3.35Å; V1137-A1141 PolarHBondContact O-N 3.03Å; V1137-L1308 HydrophobicContact CG2-CD1 3.49Å; V1137-L1308 VanDerWaalsContact CG2-CD1 3.45Å; V1137-L1308 HydrophobicContact CG2-CD2 3.96Å; V1137-L1308 HydrophobicContact CG2-CG 4.38Å
1138V89.2Confident86.3Confident69.8 Ų69.857.4 Ų57.442%0.42330%0.3SS..Hα-helixtrans-64.2-46177.4173.30000111.6L1134 L1135 N1136 F1140 A1141 F1142L1134-V1138 WeakPolarHBondContact O-CG2 3.35Å; L1134-V1138 PolarHBondContact O-N 2.97Å; L1134-V1138 VanDerWaalsContact O-N 3.11Å; L1135-V1138 PolarHBondContact O-N 3.26Å; N1136-V1138 VanDerWaalsContact C-N 3.34Å; N1136-V1138 PolarHBondContact O-N 3.23Å; V1138-F1140 VanDerWaalsContact C-N 3.34Å; V1138-F1140 PolarHBondContact O-N 3.11Å; V1138-A1141 PolarHBondContact O-N 3.12Å; V1138-F1142 HydrophobicContact CG1-CD2 3.96Å; V1138-F1142 HydrophobicContact CG1-CE2 3.7Å; V1138-F1142 VanDerWaalsContact O-CD2 3.25Å; V1138-F1142 WeakPolarHBondContact O-CD2 3.34Å; V1138-F1142 PolarHBondContact O-N 2.92Å; V1138-F1142 VanDerWaalsContact O-N 3.1Å
1139K89.5Confident86.9Confident58.4 Ų58.455.7 Ų55.725%0.25429%0.287SS..Hα-helixtrans-60.4-41.7174.2-68.3168.9-169157.10112.1F1122 V1125 L1135 N1136 A1141 F1142 N1143F1122-K1139 HydrophobicContact CB-CB 4.22Å; F1122-K1139 HydrophobicContact CB-CD 4.36Å; F1122-K1139 HydrophobicContact CB-CG 4.4Å; F1122-K1139 HydrophobicContact CD1-CD 4.33Å; F1122-K1139 HydrophobicContact CD1-CG 4.14Å; F1122-K1139 HydrophobicContact CD2-CB 3.84Å; F1122-K1139 HydrophobicContact CD2-CG 3.97Å; F1122-K1139 HydrophobicContact CE1-CG 4.39Å; F1122-K1139 HydrophobicContact CE2-CB 4.41Å; F1122-K1139 HydrophobicContact CE2-CG 4.26Å; F1122-K1139 HydrophobicContact CG-CB 4.03Å; F1122-K1139 HydrophobicContact CG-CD 4.34Å; F1122-K1139 HydrophobicContact CG-CG 3.91Å; F1122-K1139 HydrophobicContact CZ-CG 4.42Å; V1125-K1139 HydrophobicContact CB-CB 4.35Å; V1125-K1139 HydrophobicContact CG1-CB 4.15Å; V1125-K1139 HydrophobicContact CG2-CB 3.82Å; V1125-K1139 HydrophobicContact CG2-CD 3.6Å; V1125-K1139 HydrophobicContact CG2-CG 4.38Å; L1135-K1139 HydrophobicContact CD2-CD 4.15Å; L1135-K1139 VanDerWaalsContact O-CG 3.25Å; L1135-K1139 WeakPolarHBondContact O-CG 3.36Å; L1135-K1139 PolarHBondContact O-N 3.01Å; L1135-K1139 VanDerWaalsContact O-N 3.11Å; N1136-K1139 PolarHBondContact O-N 3.05Å; N1136-K1139 PolarHBondContact OD1-NZ 3.17Å; K1139-A1141 VanDerWaalsContact C-N 3.35Å; K1139-F1142 PolarHBondContact O-N 3.24Å; K1139-N1143 PolarHBondContact O-N 3.29Å
1140F89.4Confident87.4Confident11.4 Ų11.454.8 Ų54.85%0.0528%0.281CS..Hα-helixtrans-63.7-40.6177.2-175.8-90.4000111.3V1125 I1127 M1130 N1136 V1137 V1138 F1142 N1143 Y1144 K1148V1125-F1140 HydrophobicContact CG1-CB 3.86Å; V1125-F1140 HydrophobicContact CG1-CD2 4.42Å; I1127-F1140 HydrophobicContact CB-CE2 3.99Å; I1127-F1140 HydrophobicContact CB-CZ 4.34Å; I1127-F1140 HydrophobicContact CG1-CE2 4.48Å; I1127-F1140 HydrophobicContact CG1-CZ 4.43Å; M1130-F1140 HydrophobicContact CE-CD1 4.28Å; M1130-F1140 HydrophobicContact CG-CB 4.42Å; M1130-F1140 HydrophobicContact CG-CD1 4.45Å; M1130-F1140 HydrophobicContact CG-CG 4.41Å; M1130-F1140 HydrophobicContact SD-CD1 3.72Å; M1130-F1140 HydrophobicContact SD-CE1 3.88Å; M1130-F1140 HydrophobicContact SD-CG 4.2Å; M1130-F1140 HydrophobicContact SD-CZ 4.43Å; N1136-F1140 VanDerWaalsContact O-CB 3.25Å; N1136-F1140 WeakPolarHBondContact O-CB 3.35Å; N1136-F1140 PolarHBondContact O-N 3.06Å; V1137-F1140 PolarHBondContact O-N 3.15Å; V1138-F1140 VanDerWaalsContact C-N 3.34Å; V1138-F1140 PolarHBondContact O-N 3.11Å; F1140-F1142 VanDerWaalsContact C-N 3.33Å; F1140-F1142 PolarHBondContact O-N 3.19Å; F1140-N1143 PolarHBondContact O-N 3.18Å; F1140-Y1144 AromaticContact CD2-CD2 3.59Å; F1140-Y1144 HydrophobicContact CD2-CD2 3.59Å; F1140-Y1144 HydrophobicContact CD2-CE2 4.24Å; F1140-Y1144 AromaticContact CE2-CD2 3.49Å; F1140-Y1144 HydrophobicContact CE2-CD2 3.49Å; F1140-Y1144 VanDerWaalsContact CE2-CD2 3.48Å; F1140-Y1144 HydrophobicContact CE2-CE2 4.22Å; F1140-Y1144 HydrophobicContact CE2-CG 4.16Å; F1140-Y1144 HydrophobicContact CG-CD2 4.24Å; F1140-Y1144 HydrophobicContact CZ-CD2 4.09Å; F1140-Y1144 HydrophobicContact CZ-CG 4.33Å; F1140-Y1144 PolarHBondContact O-N 3.23Å; F1140-K1148 HydrophobicContact CE1-CG 4.39Å
1141A89.7Confident88.1Confident55.8 Ų55.853 Ų5346%0.46127%0.272SS..Hα-helixtrans-62.5-39174.900000112.4V1137 V1138 K1139 G1145V1137-A1141 WeakPolarHBondContact O-CB 3.35Å; V1137-A1141 PolarHBondContact O-N 3.03Å; V1138-A1141 PolarHBondContact O-N 3.12Å; K1139-A1141 VanDerWaalsContact C-N 3.35Å; A1141-G1145 VanDerWaalsContact O-CA 3.23Å; A1141-G1145 WeakPolarHBondContact O-CA 3.39Å; A1141-G1145 PolarHBondContact O-N 3.16Å
1142F88.8Confident88.9Confident124.2 Ų124.254.2 Ų54.255%0.54527%0.272SS..Hα-helixtrans-67.6-36.9174-80-64.8000113.6I1121 F1122 V1138 K1139 F1140I1121-F1142 HydrophobicContact CD1-CB 4.44Å; F1122-F1142 HydrophobicContact CD2-CB 4.39Å; F1122-F1142 HydrophobicContact CE2-CB 3.99Å; F1122-F1142 HydrophobicContact CE2-CD2 4.28Å; F1122-F1142 HydrophobicContact CE2-CG 4.4Å; V1138-F1142 HydrophobicContact CG1-CD2 3.96Å; V1138-F1142 HydrophobicContact CG1-CE2 3.7Å; V1138-F1142 VanDerWaalsContact O-CD2 3.25Å; V1138-F1142 WeakPolarHBondContact O-CD2 3.34Å; V1138-F1142 PolarHBondContact O-N 2.92Å; V1138-F1142 VanDerWaalsContact O-N 3.1Å; K1139-F1142 PolarHBondContact O-N 3.24Å; F1140-F1142 VanDerWaalsContact C-N 3.33Å; F1140-F1142 PolarHBondContact O-N 3.19Å
1143N89.9Confident89.6Confident18.8 Ų18.850.3 Ų50.310%0.10126%0.262CS..Hα-helixtrans-75.8-50.7177.2-73.9-13.2000112.8I1121 F1122 K1139 F1140I1121-N1143 PolarHBondContact N-OD1 3.07Å; F1122-N1143 PolarHBondContact N-OD1 3.17Å; F1122-N1143 PolarHBondContact O-ND2 3.07Å; K1139-N1143 PolarHBondContact O-N 3.29Å; F1140-N1143 PolarHBondContact O-N 3.18Å
1144Y89.9Confident90.2Very high4 Ų446.2 Ų46.22%0.01624%0.24CC..Hα-helixtrans-124.65.3-163.8-53.6-72.9000114.2I1120 V1125 F1140 F1146 Y1147 K1148 Y1279 D1280I1120-Y1144 WeakPolarHBondContact CD1-OH 3.39Å; I1120-Y1144 HydrophobicContact CG1-CE1 4.39Å; V1125-Y1144 WeakPolarHBondContact O-CE2 3.31Å; F1140-Y1144 AromaticContact CD2-CD2 3.59Å; F1140-Y1144 HydrophobicContact CD2-CD2 3.59Å; F1140-Y1144 HydrophobicContact CD2-CE2 4.24Å; F1140-Y1144 AromaticContact CE2-CD2 3.49Å; F1140-Y1144 HydrophobicContact CE2-CD2 3.49Å; F1140-Y1144 VanDerWaalsContact CE2-CD2 3.48Å; F1140-Y1144 HydrophobicContact CE2-CE2 4.22Å; F1140-Y1144 HydrophobicContact CE2-CG 4.16Å; F1140-Y1144 HydrophobicContact CG-CD2 4.24Å; F1140-Y1144 HydrophobicContact CZ-CD2 4.09Å; F1140-Y1144 HydrophobicContact CZ-CG 4.33Å; F1140-Y1144 PolarHBondContact O-N 3.23Å; Y1144-F1146 PolarHBondContact O-N 3.32Å; Y1144-Y1147 HydrophobicContact CD1-CD1 4.49Å; Y1144-Y1147 CarbonylContact O-C 3.53Å; Y1144-Y1147 WeakPolarHBondContact O-CA 3.38Å; Y1144-Y1147 WeakPolarHBondContact O-CB 3.29Å; Y1144-Y1147 PolarHBondContact O-N 2.97Å; Y1144-K1148 PolarHBondContact O-N 3.09Å; Y1144-Y1279 AromaticContact CD1-CE1 3.96Å; Y1144-Y1279 HydrophobicContact CD1-CE1 3.96Å; Y1144-Y1279 AromaticContact CE1-CE1 3.84Å; Y1144-Y1279 HydrophobicContact CE1-CE1 3.84Å; Y1144-Y1279 AromaticContact CE1-CZ 3.84Å; Y1144-D1280 HydrophobicContact CE1-CB 4.41Å; Y1144-D1280 HydrophobicContact CE2-CB 4.43Å; Y1144-D1280 VanDerWaalsContact OH-CB 3.26Å; Y1144-D1280 WeakPolarHBondContact OH-CB 3.3Å
1145G89.5Confident90.6Very high16 Ų1642.7 Ų42.717%0.16522%0.222CC..Hα-helixtrans-56.2-48.8179.400000112.8A1141 Y1147 K1148 F1149A1141-G1145 VanDerWaalsContact O-CA 3.23Å; A1141-G1145 WeakPolarHBondContact O-CA 3.39Å; A1141-G1145 PolarHBondContact O-N 3.16Å; G1145-Y1147 VanDerWaalsContact C-N 3.32Å; G1145-Y1147 PolarHBondContact O-N 3.21Å; G1145-K1148 PolarHBondContact O-N 3.22Å; G1145-F1149 WeakPolarHBondContact O-CB 3.33Å; G1145-F1149 WeakPolarHBondContact O-CD2 3.39Å; G1145-F1149 PolarHBondContact O-N 3.02Å
1146F92Very high91Very high62.8 Ų62.838.9 Ų38.928%0.27520%0.204SC..Hα-helixtrans-69.5-27.9174.1-166.7-85000112.7Y1144 K1148 G1150 L1153 L1263 Q1264 V1267Y1144-F1146 PolarHBondContact O-N 3.32Å; F1146-K1148 VanDerWaalsContact C-N 3.34Å; F1146-K1148 PolarHBondContact O-N 3.37Å; F1146-G1150 WeakPolarHBondContact O-CA 3.42Å; F1146-G1150 PolarHBondContact O-N 3.41Å; F1146-L1153 HydrophobicContact CD2-CD1 3.86Å; F1146-L1153 HydrophobicContact CE2-CB 4.37Å; F1146-L1153 HydrophobicContact CE2-CD1 4.31Å; F1146-L1263 HydrophobicContact CD1-CB 4.2Å; F1146-L1263 HydrophobicContact CE1-CB 3.51Å; F1146-L1263 VanDerWaalsContact CE1-CB 3.48Å; F1146-L1263 HydrophobicContact CZ-CB 3.72Å; F1146-Q1264 HydrophobicContact CE1-CB 4.28Å; F1146-Q1264 HydrophobicContact CZ-CB 4.33Å; F1146-V1267 HydrophobicContact CD1-CG2 3.96Å; F1146-V1267 HydrophobicContact CE1-CG2 4.11Å
1147Y91.1Very high91.4Very high12.2 Ų12.239.6 Ų39.65%0.04821%0.209CC..Hα-helixtrans-66.5-38.6173.8174.1-99.2000111.7Y1144 G1145 V1267 I1270 E1271 Y1279 G1282 N1284Y1144-Y1147 HydrophobicContact CD1-CD1 4.49Å; Y1144-Y1147 CarbonylContact O-C 3.53Å; Y1144-Y1147 WeakPolarHBondContact O-CA 3.38Å; Y1144-Y1147 WeakPolarHBondContact O-CB 3.29Å; Y1144-Y1147 PolarHBondContact O-N 2.97Å; G1145-Y1147 VanDerWaalsContact C-N 3.32Å; G1145-Y1147 PolarHBondContact O-N 3.21Å; Y1147-V1267 HydrophobicContact CD2-CG1 3.89Å; Y1147-V1267 HydrophobicContact CD2-CG2 4.44Å; Y1147-V1267 HydrophobicContact CE2-CG1 4.31Å; Y1147-I1270 HydrophobicContact CE2-CB 4.38Å; Y1147-I1270 HydrophobicContact CE2-CG2 4.02Å; Y1147-E1271 HydrophobicContact CE2-CG 4.32Å; Y1147-Y1279 HydrophobicContact CD1-CD1 4.47Å; Y1147-Y1279 HydrophobicContact CD1-CE1 4.2Å; Y1147-Y1279 AromaticContact CD2-CE1 3.97Å; Y1147-Y1279 HydrophobicContact CD2-CE1 3.98Å; Y1147-Y1279 AromaticContact CE1-CD1 3.92Å; Y1147-Y1279 HydrophobicContact CE1-CD1 3.92Å; Y1147-Y1279 HydrophobicContact CE1-CE1 4.06Å; Y1147-Y1279 AromaticContact CE2-CD1 3.97Å; Y1147-Y1279 HydrophobicContact CE2-CD1 4Å; Y1147-Y1279 AromaticContact CE2-CE1 3.84Å; Y1147-Y1279 HydrophobicContact CE2-CE1 3.84Å; Y1147-Y1279 HydrophobicContact CG-CE1 4.17Å; Y1147-Y1279 AromaticContact CZ-CD1 3.65Å; Y1147-Y1279 AromaticContact CZ-CE1 3.89Å; Y1147-G1282 WeakPolarHBondContact CE1-O 3.38Å; Y1147-G1282 PolarHBondContact OH-O 3.1Å; Y1147-N1284 WeakPolarHBondContact CE1-ND2 3.39Å; Y1147-N1284 PolarHBondContact O-ND2 2.93Å
1148K89.9Confident91.7Very high34.8 Ų34.838.1 Ų38.115%0.15120%0.2CC..Hα-helixtrans-77.7-44.8175.7-70.4-50.2-162.2-166.30113.7F1140 Y1144 G1145 F1146 G1281 G1282 S1283 N1284 K1451F1140-K1148 HydrophobicContact CE1-CG 4.39Å; Y1144-K1148 PolarHBondContact O-N 3.09Å; G1145-K1148 PolarHBondContact O-N 3.22Å; F1146-K1148 VanDerWaalsContact C-N 3.34Å; F1146-K1148 PolarHBondContact O-N 3.37Å; K1148-G1281 WeakPolarHBondContact CE-O 3.33Å; K1148-G1281 PolarHBondContact NZ-O 3.01Å; K1148-G1282 VanDerWaalsContact NZ-C 3.33Å; K1148-G1282 PolarHBondContact NZ-O 3.11Å; K1148-S1283 PolarHBondContact NZ-O 3.26Å; K1148-N1284 VanDerWaalsContact CD-OD1 3.23Å; K1148-N1284 WeakPolarHBondContact CD-OD1 3.44Å; K1148-N1284 PolarHBondContact NZ-OD1 3.11Å; K1148-K1451 PolarHBondContact O-NZ 3.16Å
1149F91.9Very high92Very high94.8 Ų94.835.1 Ų35.142%0.41618%0.182SC..Hα-helixtrans-107.58-169.9-60.2-77000114.8G1145 L1151 E1152 L1153 F1448 K1451G1145-F1149 WeakPolarHBondContact O-CB 3.33Å; G1145-F1149 WeakPolarHBondContact O-CD2 3.39Å; G1145-F1149 PolarHBondContact O-N 3.02Å; F1149-L1151 VanDerWaalsContact C-N 3.35Å; F1149-L1151 PolarHBondContact O-N 3.26Å; F1149-E1152 VanDerWaalsContact C-OE2 3.29Å; F1149-E1152 VanDerWaalsContact CA-OE2 3.31Å; F1149-E1152 WeakPolarHBondContact CA-OE2 3.34Å; F1149-E1152 PolarHBondContact O-N 3Å; F1149-L1153 HydrophobicContact CB-CD1 4.15Å; F1149-L1153 HydrophobicContact CB-CG 4.33Å; F1149-L1153 WeakPolarHBondContact O-CB 3.44Å; F1149-L1153 VanDerWaalsContact O-CG 3.3Å; F1149-L1153 WeakPolarHBondContact O-CG 3.35Å; F1149-L1153 PolarHBondContact O-N 3.31Å; F1149-F1448 HydrophobicContact CE1-CE2 4.04Å; F1149-F1448 HydrophobicContact CZ-CE2 4.48Å; F1149-K1451 HydrophobicContact CD1-CG 3.99Å; F1149-K1451 HydrophobicContact CE1-CG 3.78Å
1150G92.5Very high92.2Very high0 Ų036.2 Ų36.20%019%0.193CC..Hα-helixtrans-62-35-169.600000115.1F1146 L1153 C1154 Q1264F1146-G1150 WeakPolarHBondContact O-CA 3.42Å; F1146-G1150 PolarHBondContact O-N 3.41Å; G1150-L1153 PolarHBondContact O-N 2.82Å; G1150-C1154 WeakPolarHBondContact O-CB 3.42Å; G1150-C1154 PolarHBondContact O-N 3.11Å; G1150-C1154 PolarHBondContact O-SG 3.17Å; G1150-Q1264 VanDerWaalsContact C-OE1 3.23Å; G1150-Q1264 VanDerWaalsContact CA-OE1 3.31Å
1151L92.7Very high92.3Very high19.8 Ų19.835.9 Ų35.910%0.10419%0.193CC..Hα-helixtrans-68.4-46.4176.4-179.663.5000111.2F1149 L1153 C1154 H1155 W1192 F1268F1149-L1151 VanDerWaalsContact C-N 3.35Å; F1149-L1151 PolarHBondContact O-N 3.26Å; L1151-L1153 VanDerWaalsContact C-N 3.33Å; L1151-L1153 PolarHBondContact O-N 3Å; L1151-C1154 WeakPolarHBondContact O-CB 3.36Å; L1151-C1154 PolarHBondContact O-N 3.1Å; L1151-C1154 VanDerWaalsContact O-N 3.15Å; L1151-H1155 PolarHBondContact O-CD2 3.15Å; L1151-H1155 PolarHBondContact O-N 2.89Å; L1151-H1155 VanDerWaalsContact O-N 3.1Å; L1151-W1192 HydrophobicContact CD1-CH2 3.96Å; L1151-W1192 HydrophobicContact CD1-CZ3 3.87Å; L1151-F1268 HydrophobicContact CD1-CZ 4.28Å
1152E93.2Very high92.5Very high45.6 Ų45.633.3 Ų33.321%0.21317%0.171CC..Hα-helixtrans-63.4-40.9177.7-62.578.7-172.300111.1F1149 C1154 H1155 C1156 I1447 K1451F1149-E1152 VanDerWaalsContact C-OE2 3.29Å; F1149-E1152 VanDerWaalsContact CA-OE2 3.31Å; F1149-E1152 WeakPolarHBondContact CA-OE2 3.34Å; F1149-E1152 PolarHBondContact O-N 3Å; E1152-C1154 PolarHBondContact O-N 3.47Å; E1152-H1155 PolarHBondContact O-N 2.97Å; E1152-C1156 PolarHBondContact O-N 2.89Å; E1152-C1156 PolarHBondContact O-SG 3.27Å; E1152-I1447 HydrophobicContact CB-CG2 3.72Å; E1152-I1447 HydrophobicContact CG-CG2 3.79Å; E1152-K1451 HydrophobicContact CG-CB 4.46Å; E1152-K1451 WeakPolarHBondContact OE1-CD 3.3Å; E1152-K1451 IonicContact OE1-NZ 2.9Å; E1152-K1451 PolarHBondContact OE1-NZ 3.19Å; E1152-K1451 IonicContact OE2-NZ 3.38Å; E1152-K1451 PolarHBondContact OE2-NZ 3.27Å
1153L93.6Very high92.5Very high79.2 Ų79.229 Ų2942%0.41516%0.156SC..Hα-helixtrans-64.3-38.6173.5-70.8170000112.3F1146 F1149 G1150 L1151 H1155 C1156 T1157F1146-L1153 HydrophobicContact CD2-CD1 3.86Å; F1146-L1153 HydrophobicContact CE2-CB 4.37Å; F1146-L1153 HydrophobicContact CE2-CD1 4.31Å; F1149-L1153 HydrophobicContact CB-CD1 4.15Å; F1149-L1153 HydrophobicContact CB-CG 4.33Å; F1149-L1153 WeakPolarHBondContact O-CB 3.44Å; F1149-L1153 VanDerWaalsContact O-CG 3.3Å; F1149-L1153 WeakPolarHBondContact O-CG 3.35Å; F1149-L1153 PolarHBondContact O-N 3.31Å; G1150-L1153 PolarHBondContact O-N 2.82Å; L1151-L1153 VanDerWaalsContact C-N 3.33Å; L1151-L1153 PolarHBondContact O-N 3Å; L1153-H1155 VanDerWaalsContact C-N 3.34Å; L1153-H1155 PolarHBondContact O-N 2.88Å; L1153-C1156 PolarHBondContact O-N 3.11Å; L1153-T1157 WeakPolarHBondContact O-CB 3.22Å; L1153-T1157 WeakPolarHBondContact O-CG2 3.4Å; L1153-T1157 PolarHBondContact O-N 3.17Å; L1153-T1157 PolarHBondContact O-OG1 3.19Å
1154C95.2Very high92.5Very high1.8 Ų1.830.2 Ų30.21%0.01217%0.169CC..Hα-helixtrans-61.4-42.7173.4-78.10000112.2G1150 L1151 E1152 C1156 T1157 T1158 W1192 A1260G1150-C1154 WeakPolarHBondContact O-CB 3.42Å; G1150-C1154 PolarHBondContact O-N 3.11Å; G1150-C1154 PolarHBondContact O-SG 3.17Å; L1151-C1154 WeakPolarHBondContact O-CB 3.36Å; L1151-C1154 PolarHBondContact O-N 3.1Å; L1151-C1154 VanDerWaalsContact O-N 3.15Å; E1152-C1154 PolarHBondContact O-N 3.47Å; C1154-C1156 VanDerWaalsContact C-N 3.33Å; C1154-C1156 PolarHBondContact O-N 3.34Å; C1154-T1157 WeakPolarHBondContact CA-OG1 3.35Å; C1154-T1157 PolarHBondContact O-N 3.08Å; C1154-T1157 PolarHBondContact O-OG1 3.03Å; C1154-T1157 VanDerWaalsContact O-OG1 3.08Å; C1154-T1158 WeakPolarHBondContact O-CB 3.41Å; C1154-T1158 PolarHBondContact O-N 3.38Å; C1154-T1158 VanDerWaalsContact O-N 3.07Å; C1154-T1158 PolarHBondContact O-OG1 3.08Å; C1154-T1158 VanDerWaalsContact O-OG1 3.08Å; C1154-W1192 HydrophobicContact CB-CH2 4Å; C1154-W1192 HydrophobicContact CB-CZ2 4.22Å; C1154-A1260 VanDerWaalsContact SG-C 3.52Å; C1154-A1260 PolarHBondContact SG-O 3.25Å; C1154-A1260 VanDerWaalsContact SG-O 3.4Å
1155H94.5Very high92.5Very high15 Ų1530.1 Ų30.17%0.06917%0.168CC..Hα-helixtrans-62.1-45.1174.2-69.1-62.5000111.6L1151 E1152 L1153 T1157 T1158 V1159 M1177 F1443 I1447L1151-H1155 PolarHBondContact O-CD2 3.15Å; L1151-H1155 PolarHBondContact O-N 2.89Å; L1151-H1155 VanDerWaalsContact O-N 3.1Å; E1152-H1155 PolarHBondContact O-N 2.97Å; L1153-H1155 VanDerWaalsContact C-N 3.34Å; L1153-H1155 PolarHBondContact O-N 2.88Å; H1155-T1157 PolarHBondContact O-N 3.19Å; H1155-T1158 PolarHBondContact O-N 3.2Å; H1155-V1159 WeakPolarHBondContact O-CG2 3.38Å; H1155-V1159 PolarHBondContact O-N 3.37Å; H1155-V1159 VanDerWaalsContact O-N 3.1Å; H1155-M1177 HydrophobicContact CB-SD 4.01Å; H1155-M1177 WeakPolarHBondContact ND1-CG 3.27Å; H1155-M1177 PolarHBondContact ND1-SD 3.34Å; H1155-M1177 VanDerWaalsContact ND1-SD 3.37Å; H1155-F1443 HydrophobicContact CB-CE1 4.06Å; H1155-F1443 HydrophobicContact CB-CZ 4.13Å; H1155-I1447 HydrophobicContact CB-CD1 3.95Å
1156C94.8Very high92.4Very high32 Ų3230.2 Ų30.222%0.21617%0.165CC..Hα-helixtrans-61.5-43176.4-62.90000112.1E1152 L1153 C1154 T1158 V1159 V1160 I1444E1152-C1156 PolarHBondContact O-N 2.89Å; E1152-C1156 PolarHBondContact O-SG 3.27Å; L1153-C1156 PolarHBondContact O-N 3.11Å; C1154-C1156 VanDerWaalsContact C-N 3.33Å; C1154-C1156 PolarHBondContact O-N 3.34Å; C1156-T1158 PolarHBondContact O-N 3.05Å; C1156-V1159 PolarHBondContact O-N 3.17Å; C1156-V1160 WeakPolarHBondContact O-CG2 3.36Å; C1156-V1160 PolarHBondContact O-N 3.06Å; C1156-I1444 HydrophobicContact CB-CG1 4.38Å
1157T93.9Very high92.3Very high40.4 Ų40.427.2 Ų27.225%0.24815%0.152CC..Hα-helixtrans-63.9-41.6176.750.30000112.1L1153 C1154 H1155 V1159 V1160 T1161 A1260L1153-T1157 WeakPolarHBondContact O-CB 3.22Å; L1153-T1157 WeakPolarHBondContact O-CG2 3.4Å; L1153-T1157 PolarHBondContact O-N 3.17Å; L1153-T1157 PolarHBondContact O-OG1 3.19Å; C1154-T1157 WeakPolarHBondContact CA-OG1 3.35Å; C1154-T1157 PolarHBondContact O-N 3.08Å; C1154-T1157 PolarHBondContact O-OG1 3.03Å; C1154-T1157 VanDerWaalsContact O-OG1 3.08Å; H1155-T1157 PolarHBondContact O-N 3.19Å; T1157-V1159 VanDerWaalsContact C-N 3.32Å; T1157-V1159 PolarHBondContact O-N 3.16Å; T1157-V1160 PolarHBondContact O-N 3.02Å; T1157-T1161 WeakPolarHBondContact O-CB 3.35Å; T1157-T1161 WeakPolarHBondContact O-CG2 3.41Å; T1157-T1161 PolarHBondContact O-N 3.09Å; T1157-T1161 PolarHBondContact O-OG1 3.2Å; T1157-T1161 VanDerWaalsContact O-OG1 3.13Å; T1157-A1260 HydrophobicContact CG2-CB 4.37Å
1158T94.5Very high92.4Very high2.6 Ų2.627.6 Ų27.62%0.01616%0.158CC..Hα-helixtrans-63.3-37.5177.7-57.50000112.2C1154 H1155 C1156 V1160 T1161 T1162 M1177C1154-T1158 WeakPolarHBondContact O-CB 3.41Å; C1154-T1158 PolarHBondContact O-N 3.38Å; C1154-T1158 VanDerWaalsContact O-N 3.07Å; C1154-T1158 PolarHBondContact O-OG1 3.08Å; C1154-T1158 VanDerWaalsContact O-OG1 3.08Å; H1155-T1158 PolarHBondContact O-N 3.2Å; C1156-T1158 PolarHBondContact O-N 3.05Å; T1158-V1160 VanDerWaalsContact C-N 3.35Å; T1158-T1161 WeakPolarHBondContact CA-OG1 3.36Å; T1158-T1161 PolarHBondContact O-N 3.09Å; T1158-T1161 PolarHBondContact O-OG1 3.15Å; T1158-T1162 HydrophobicContact CG2-CG2 4.5Å; T1158-T1162 VanDerWaalsContact O-CB 3.32Å; T1158-T1162 WeakPolarHBondContact O-CB 3.3Å; T1158-T1162 WeakPolarHBondContact O-CG2 3.35Å; T1158-T1162 PolarHBondContact O-N 2.98Å; T1158-T1162 VanDerWaalsContact O-N 3.13Å; T1158-T1162 PolarHBondContact O-OG1 3.03Å; T1158-M1177 HydrophobicContact CG2-CB 4.29Å; T1158-M1177 HydrophobicContact CG2-SD 4Å
1159V94.6Very high92.5Very high8.2 Ų8.227.4 Ų27.45%0.0516%0.157CC..Hα-helixtrans-70-37.3175.2170.20000111.8H1155 C1156 T1157 T1162 C1163 L1174 M1177 I1379 I1440 F1443H1155-V1159 WeakPolarHBondContact O-CG2 3.38Å; H1155-V1159 PolarHBondContact O-N 3.37Å; H1155-V1159 VanDerWaalsContact O-N 3.1Å; C1156-V1159 PolarHBondContact O-N 3.17Å; T1157-V1159 VanDerWaalsContact C-N 3.32Å; T1157-V1159 PolarHBondContact O-N 3.16Å; V1159-T1162 WeakPolarHBondContact O-CB 3.45Å; V1159-T1162 PolarHBondContact O-N 3.13Å; V1159-T1162 PolarHBondContact O-OG1 3.48Å; V1159-C1163 PolarHBondContact O-N 3.17Å; V1159-C1163 VanDerWaalsContact O-N 3.11Å; V1159-C1163 PolarHBondContact O-SG 3.46Å; V1159-L1174 HydrophobicContact CG2-CD2 4.37Å; V1159-M1177 HydrophobicContact CG2-CE 3.6Å; V1159-M1177 HydrophobicContact CG2-SD 4.32Å; V1159-I1379 HydrophobicContact CG1-CD1 4.05Å; V1159-I1440 HydrophobicContact CG1-CB 4.22Å; V1159-I1440 HydrophobicContact CG1-CD1 4.44Å; V1159-I1440 HydrophobicContact CG1-CG1 3.71Å; V1159-I1440 HydrophobicContact CG1-CG2 3.94Å; V1159-F1443 HydrophobicContact CB-CD1 4.15Å; V1159-F1443 HydrophobicContact CB-CE1 4.21Å; V1159-F1443 HydrophobicContact CG1-CD1 4.25Å; V1159-F1443 HydrophobicContact CG2-CD1 3.84Å; V1159-F1443 HydrophobicContact CG2-CE1 3.57Å; V1159-F1443 VanDerWaalsContact CG2-CE1 3.4Å; V1159-F1443 HydrophobicContact CG2-CE2 4.47Å; V1159-F1443 HydrophobicContact CG2-CG 4.42Å; V1159-F1443 HydrophobicContact CG2-CZ 3.93Å
1160V94Very high92.6Very high81.2 Ų81.222.9 Ų22.949%0.49214%0.137SC..Hα-helixtrans-68.2-42.3175.2170.40000111.9C1156 T1157 T1158 T1162 C1163 A1164 I1440C1156-V1160 WeakPolarHBondContact O-CG2 3.36Å; C1156-V1160 PolarHBondContact O-N 3.06Å; T1157-V1160 PolarHBondContact O-N 3.02Å; T1158-V1160 VanDerWaalsContact C-N 3.35Å; V1160-T1162 VanDerWaalsContact C-N 3.35Å; V1160-T1162 PolarHBondContact O-N 3.43Å; V1160-C1163 PolarHBondContact O-N 3.17Å; V1160-A1164 WeakPolarHBondContact O-CB 3.33Å; V1160-A1164 PolarHBondContact O-N 3.02Å; V1160-A1164 VanDerWaalsContact O-N 3.07Å; V1160-I1440 HydrophobicContact CG2-CG2 4.01Å
1161T92.9Very high92.6Very high5 Ų523.9 Ų23.93%0.03114%0.144CC..Hα-helixtrans-65.2-40.4175.941.50000111.7T1157 T1158 C1163 A1164 R1165 Y1173 A1253 Q1257T1157-T1161 WeakPolarHBondContact O-CB 3.35Å; T1157-T1161 WeakPolarHBondContact O-CG2 3.41Å; T1157-T1161 PolarHBondContact O-N 3.09Å; T1157-T1161 PolarHBondContact O-OG1 3.2Å; T1157-T1161 VanDerWaalsContact O-OG1 3.13Å; T1158-T1161 WeakPolarHBondContact CA-OG1 3.36Å; T1158-T1161 PolarHBondContact O-N 3.09Å; T1158-T1161 PolarHBondContact O-OG1 3.15Å; T1161-C1163 VanDerWaalsContact C-N 3.31Å; T1161-C1163 PolarHBondContact O-N 3.11Å; T1161-A1164 WeakPolarHBondContact O-CB 3.49Å; T1161-A1164 PolarHBondContact O-N 3.28Å; T1161-A1164 VanDerWaalsContact O-N 3.1Å; T1161-R1165 HydrophobicContact CG2-CG 4.3Å; T1161-R1165 WeakPolarHBondContact O-CB 3.25Å; T1161-R1165 WeakPolarHBondContact O-CG 3.3Å; T1161-R1165 PolarHBondContact O-N 3.09Å; T1161-Y1173 HydrophobicContact CG2-CD2 4.37Å; T1161-Y1173 HydrophobicContact CG2-CE2 4.26Å; T1161-A1253 VanDerWaalsContact CG2-C 3.48Å; T1161-A1253 HydrophobicContact CG2-CB 3.88Å; T1161-A1253 WeakPolarHBondContact CG2-O 3.4Å; T1161-Q1257 HydrophobicContact CG2-CB 3.8Å; T1161-Q1257 PolarHBondContact OG1-OE1 3.06Å
1162T92.4Very high92.7Very high0.6 Ų0.626 Ų260%0.00416%0.155CC..Hα-helixtrans-56.7-45.1173.9-57.80000111.5T1158 V1159 V1160 A1164 R1165 V1166 S1170 Y1173 L1174 C1383T1158-T1162 HydrophobicContact CG2-CG2 4.5Å; T1158-T1162 VanDerWaalsContact O-CB 3.32Å; T1158-T1162 WeakPolarHBondContact O-CB 3.3Å; T1158-T1162 WeakPolarHBondContact O-CG2 3.35Å; T1158-T1162 PolarHBondContact O-N 2.98Å; T1158-T1162 VanDerWaalsContact O-N 3.13Å; T1158-T1162 PolarHBondContact O-OG1 3.03Å; V1159-T1162 WeakPolarHBondContact O-CB 3.45Å; V1159-T1162 PolarHBondContact O-N 3.13Å; V1159-T1162 PolarHBondContact O-OG1 3.48Å; V1160-T1162 VanDerWaalsContact C-N 3.35Å; V1160-T1162 PolarHBondContact O-N 3.43Å; T1162-A1164 VanDerWaalsContact C-N 3.33Å; T1162-A1164 PolarHBondContact O-N 3.34Å; T1162-R1165 PolarHBondContact O-N 3.04Å; T1162-V1166 PolarHBondContact O-N 3.08Å; T1162-S1170 WeakPolarHBondContact CG2-O 3.44Å; T1162-S1170 WeakPolarHBondContact O-CB 3.49Å; T1162-S1170 PolarHBondContact OG1-O 3.23Å; T1162-Y1173 HydrophobicContact CG2-CD2 4.49Å; T1162-L1174 HydrophobicContact CG2-CD1 3.9Å; T1162-L1174 HydrophobicContact CG2-CD2 3.96Å; T1162-L1174 HydrophobicContact CG2-CG 3.76Å; T1162-C1383 HydrophobicContact CG2-CB 4.46Å; T1162-C1383 VanDerWaalsContact CG2-SG 3.55Å; T1162-C1383 WeakPolarHBondContact CG2-SG 3.33Å
1163C89.8Confident92.7Very high34.4 Ų34.424 Ų2423%0.23215%0.145CC..Hα-helixtrans-68.8-28176.2-157.70000114.1V1159 V1160 T1161 V1166 L1436 I1440V1159-C1163 PolarHBondContact O-N 3.17Å; V1159-C1163 VanDerWaalsContact O-N 3.11Å; V1159-C1163 PolarHBondContact O-SG 3.46Å; V1160-C1163 PolarHBondContact O-N 3.17Å; T1161-C1163 VanDerWaalsContact C-N 3.31Å; T1161-C1163 PolarHBondContact O-N 3.11Å; C1163-V1166 WeakPolarHBondContact O-CG2 3.33Å; C1163-L1436 HydrophobicContact CB-CD2 4.27Å; C1163-I1440 HydrophobicContact CB-CD1 3.32Å; C1163-I1440 VanDerWaalsContact SG-CD1 3.51Å; C1163-I1440 WeakPolarHBondContact SG-CD1 3.43Å
1164A89.5Confident92.8Very high44.4 Ų44.420.2 Ų20.237%0.36713%0.125SC..Hα-helixtrans-76.5-30.5173.900000112.3V1160 T1161 T1162 A1253 L1414V1160-A1164 WeakPolarHBondContact O-CB 3.33Å; V1160-A1164 PolarHBondContact O-N 3.02Å; V1160-A1164 VanDerWaalsContact O-N 3.07Å; T1161-A1164 WeakPolarHBondContact O-CB 3.49Å; T1161-A1164 PolarHBondContact O-N 3.28Å; T1161-A1164 VanDerWaalsContact O-N 3.1Å; T1162-A1164 VanDerWaalsContact C-N 3.33Å; T1162-A1164 PolarHBondContact O-N 3.34Å; A1164-A1253 HydrophobicContact CB-CB 4.18Å; A1164-L1414 HydrophobicContact CB-CD1 3.79Å; A1164-L1414 VanDerWaalsContact O-CD1 3.26Å; A1164-L1414 WeakPolarHBondContact O-CD1 3.43Å
1165R89.7Confident92.8Very high1 Ų124.3 Ų24.30%0.00415%0.147CC..Hα-helixtrans-86.4-52.4-176.5-74.5-158.369.1105.42.4114.3T1161 T1162 D1167 Y1238 K1250 D1254T1161-R1165 HydrophobicContact CG2-CG 4.3Å; T1161-R1165 WeakPolarHBondContact O-CB 3.25Å; T1161-R1165 WeakPolarHBondContact O-CG 3.3Å; T1161-R1165 PolarHBondContact O-N 3.09Å; T1162-R1165 PolarHBondContact O-N 3.04Å; R1165-D1167 VanDerWaalsContact C-N 3.3Å; R1165-D1167 WeakPolarHBondContact CB-OD1 3.35Å; R1165-D1167 IonicContact CZ-OD1 3.31Å; R1165-D1167 IonicContact CZ-OD2 3.16Å; R1165-D1167 VanDerWaalsContact CZ-OD2 3.27Å; R1165-D1167 VanDerWaalsContact NE-CG 3.35Å; R1165-D1167 IonicContact NE-OD1 3.39Å; R1165-D1167 PolarHBondContact NE-OD1 3.14Å; R1165-D1167 VanDerWaalsContact NE-OD1 3.14Å; R1165-D1167 IonicContact NE-OD2 3.14Å; R1165-D1167 PolarHBondContact NE-OD2 3.11Å; R1165-D1167 IonicContact NH2-OD1 3.49Å; R1165-D1167 IonicContact NH2-OD2 3.15Å; R1165-D1167 PolarHBondContact NH2-OD2 3.03Å; R1165-D1167 PolarHBondContact O-N 3Å; R1165-Y1238 VanDerWaalsContact NH2-CE2 3.33Å; R1165-Y1238 VanDerWaalsContact NH2-CG 3.31Å; R1165-K1250 HydrophobicContact CB-CD 4.5Å; R1165-K1250 HydrophobicContact CG-CB 4.33Å; R1165-K1250 HydrophobicContact CG-CD 4.38Å; R1165-K1250 WeakPolarHBondContact O-CE 3.37Å; R1165-K1250 PolarHBondContact O-NZ 3.18Å; R1165-D1254 VanDerWaalsContact CD-OD1 3.28Å; R1165-D1254 WeakPolarHBondContact CD-OD1 3.4Å; R1165-D1254 WeakPolarHBondContact CD-OD2 3.44Å; R1165-D1254 IonicContact CZ-OD1 3.22Å; R1165-D1254 IonicContact CZ-OD2 3.3Å; R1165-D1254 IonicContact NE-OD1 2.68Å; R1165-D1254 IonicContact NE-OD2 3.35Å; R1165-D1254 IonicContact NH1-OD1 3.31Å; R1165-D1254 PolarHBondContact NH1-OD1 3.2Å; R1165-D1254 IonicContact NH1-OD2 3.26Å; R1165-D1254 PolarHBondContact NH1-OD2 2.97Å
1166V88.2Confident92.7Very high17.6 Ų17.625.2 Ų25.211%0.10715%0.152CC..  trans51.543.3-179.9-156.10000113.4T1162 C1163 Q1386 M1411 P1413T1162-V1166 PolarHBondContact O-N 3.08Å; C1163-V1166 WeakPolarHBondContact O-CG2 3.33Å; V1166-Q1386 HydrophobicContact CG1-CB 3.88Å; V1166-Q1386 HydrophobicContact CG1-CG 3.42Å; V1166-Q1386 VanDerWaalsContact CG1-CG 3.42Å; V1166-M1411 HydrophobicContact CG1-CB 4.43Å; V1166-M1411 HydrophobicContact CG2-CB 4.48Å; V1166-P1413 HydrophobicContact CG2-CG 4.14Å
1167D89.5Confident92.6Very high0.6 Ų0.623.9 Ų23.90%0.00314%0.142CC..SBendtrans-138-178-17562.919.5000112.3R1165 F1169 S1170 V1171 W1236 K1250R1165-D1167 VanDerWaalsContact C-N 3.3Å; R1165-D1167 WeakPolarHBondContact CB-OD1 3.35Å; R1165-D1167 IonicContact CZ-OD1 3.31Å; R1165-D1167 IonicContact CZ-OD2 3.16Å; R1165-D1167 VanDerWaalsContact CZ-OD2 3.27Å; R1165-D1167 VanDerWaalsContact NE-CG 3.35Å; R1165-D1167 IonicContact NE-OD1 3.39Å; R1165-D1167 PolarHBondContact NE-OD1 3.14Å; R1165-D1167 VanDerWaalsContact NE-OD1 3.14Å; R1165-D1167 IonicContact NE-OD2 3.14Å; R1165-D1167 PolarHBondContact NE-OD2 3.11Å; R1165-D1167 IonicContact NH2-OD1 3.49Å; R1165-D1167 IonicContact NH2-OD2 3.15Å; R1165-D1167 PolarHBondContact NH2-OD2 3.03Å; R1165-D1167 PolarHBondContact O-N 3Å; D1167-F1169 VanDerWaalsContact C-N 3.27Å; D1167-F1169 PolarHBondContact O-N 3.01Å; D1167-F1169 WeakPolarHBondContact OD1-CB 3.39Å; D1167-F1169 PolarHBondContact OD1-N 3.16Å; D1167-F1169 VanDerWaalsContact OD1-N 3.13Å; D1167-S1170 PolarHBondContact N-OG 3.3Å; D1167-S1170 VanDerWaalsContact N-OG 3.13Å; D1167-S1170 WeakPolarHBondContact O-CA 3.41Å; D1167-S1170 VanDerWaalsContact O-CB 3.28Å; D1167-S1170 WeakPolarHBondContact O-CB 3.35Å; D1167-S1170 PolarHBondContact O-N 3.18Å; D1167-S1170 PolarHBondContact O-OG 2.96Å; D1167-S1170 PolarHBondContact OD1-N 3.19Å; D1167-S1170 VanDerWaalsContact OD1-N 3.13Å; D1167-V1171 PolarHBondContact O-N 3.21Å; D1167-W1236 WeakPolarHBondContact CB-O 3.43Å; D1167-K1250 IonicContact OD2-NZ 3.41Å; D1167-K1250 PolarHBondContact OD2-NZ 2.94Å
1168A92.3Very high92.6Very high19.8 Ų19.825.3 Ų25.316%0.16415%0.148CC..Hα-helixtrans-56.6-35.1179.600000113.6S1170 V1171 L1172 W1236 L1237A1168-S1170 VanDerWaalsContact C-N 3.34Å; A1168-S1170 PolarHBondContact O-N 3.38Å; A1168-V1171 PolarHBondContact O-N 3.15Å; A1168-L1172 PolarHBondContact O-N 3.2Å; A1168-L1172 VanDerWaalsContact O-N 3.08Å; A1168-W1236 HydrophobicContact CB-CD2 4.5Å; A1168-W1236 HydrophobicContact CB-CE3 4Å; A1168-W1236 HydrophobicContact CB-CH2 3.95Å; A1168-W1236 HydrophobicContact CB-CZ2 4.45Å; A1168-W1236 HydrophobicContact CB-CZ3 3.7Å; A1168-W1236 WeakPolarHBondContact CB-O 3.4Å; A1168-W1236 PolarHBondContact N-O 3.1Å; A1168-L1237 HydrophobicContact CB-CD1 3.7Å
1169F93.2Very high92.4Very high32 Ų3228.9 Ų28.914%0.1417%0.17CC..Hα-helixtrans-68.5-33175.3-71.8-66.5000112.1D1167 V1171 L1172 Y1173 L1202 Q1206 Y1238D1167-F1169 VanDerWaalsContact C-N 3.27Å; D1167-F1169 PolarHBondContact O-N 3.01Å; D1167-F1169 WeakPolarHBondContact OD1-CB 3.39Å; D1167-F1169 PolarHBondContact OD1-N 3.16Å; D1167-F1169 VanDerWaalsContact OD1-N 3.13Å; F1169-V1171 VanDerWaalsContact C-N 3.32Å; F1169-V1171 PolarHBondContact O-N 3.27Å; F1169-L1172 HydrophobicContact CD1-CD2 4.15Å; F1169-L1172 HydrophobicContact CE1-CD2 4.44Å; F1169-L1172 WeakPolarHBondContact O-CB 3.41Å; F1169-L1172 PolarHBondContact O-N 3.06Å; F1169-Y1173 HydrophobicContact CB-CE2 4.34Å; F1169-Y1173 VanDerWaalsContact O-CD2 3.22Å; F1169-Y1173 WeakPolarHBondContact O-CD2 3.39Å; F1169-Y1173 VanDerWaalsContact O-CG 3.23Å; F1169-Y1173 PolarHBondContact O-N 2.98Å; F1169-L1202 HydrophobicContact CD1-CD2 4.4Å; F1169-L1202 HydrophobicContact CE1-CD2 3.87Å; F1169-Q1206 HydrophobicContact CD1-CG 4.35Å; F1169-Q1206 VanDerWaalsContact CD1-NE2 3.26Å; F1169-Q1206 HydrophobicContact CD2-CG 3.93Å; F1169-Q1206 HydrophobicContact CE1-CG 4.24Å; F1169-Q1206 HydrophobicContact CE2-CG 3.62Å; F1169-Q1206 HydrophobicContact CG-CG 4.36Å; F1169-Q1206 HydrophobicContact CZ-CG 3.79Å; F1169-Y1238 HydrophobicContact CD2-CD1 4.23Å; F1169-Y1238 HydrophobicContact CD2-CG 4.21Å; F1169-Y1238 AromaticContact CE2-CD1 3.94Å; F1169-Y1238 HydrophobicContact CE2-CD1 3.97Å; F1169-Y1238 HydrophobicContact CE2-CG 4.24Å
1170S92.5Very high92.3Very high0 Ų029.1 Ų29.10%017%0.17CC..Hα-helixtrans-60.7-39.6172.282.90000112.6T1162 D1167 A1168 Y1173 L1174T1162-S1170 WeakPolarHBondContact CG2-O 3.44Å; T1162-S1170 WeakPolarHBondContact O-CB 3.49Å; T1162-S1170 PolarHBondContact OG1-O 3.23Å; D1167-S1170 PolarHBondContact N-OG 3.3Å; D1167-S1170 VanDerWaalsContact N-OG 3.13Å; D1167-S1170 WeakPolarHBondContact O-CA 3.41Å; D1167-S1170 VanDerWaalsContact O-CB 3.28Å; D1167-S1170 WeakPolarHBondContact O-CB 3.35Å; D1167-S1170 PolarHBondContact O-N 3.18Å; D1167-S1170 PolarHBondContact O-OG 2.96Å; D1167-S1170 PolarHBondContact OD1-N 3.19Å; D1167-S1170 VanDerWaalsContact OD1-N 3.13Å; A1168-S1170 VanDerWaalsContact C-N 3.34Å; A1168-S1170 PolarHBondContact O-N 3.38Å; S1170-Y1173 PolarHBondContact O-N 3.04Å; S1170-L1174 WeakPolarHBondContact O-CG 3.37Å; S1170-L1174 PolarHBondContact O-N 3.4Å; S1170-L1174 VanDerWaalsContact O-N 3.12Å
1171V93.6Very high92Very high21 Ų2125.6 Ų25.613%0.12715%0.148CC..Hα-helixtrans-68.4-43175.3-178.60000110.6D1167 A1168 F1169 Y1173 L1174 L1175 W1236 L1380 C1383D1167-V1171 PolarHBondContact O-N 3.21Å; A1168-V1171 PolarHBondContact O-N 3.15Å; F1169-V1171 VanDerWaalsContact C-N 3.32Å; F1169-V1171 PolarHBondContact O-N 3.27Å; V1171-Y1173 VanDerWaalsContact C-N 3.31Å; V1171-Y1173 PolarHBondContact O-N 3.28Å; V1171-L1174 PolarHBondContact O-N 3.27Å; V1171-L1175 HydrophobicContact CG1-CD1 4.1Å; V1171-L1175 HydrophobicContact CG1-CG 4.44Å; V1171-L1175 WeakPolarHBondContact O-CG 3.25Å; V1171-L1175 PolarHBondContact O-N 3.03Å; V1171-W1236 HydrophobicContact CG2-CZ2 4.2Å; V1171-L1380 HydrophobicContact CG1-CD1 4.3Å; V1171-C1383 HydrophobicContact CG2-CB 4.43Å
1172L94.2Very high91.8Very high64.6 Ų64.629.6 Ų29.634%0.33817%0.166SC..Hα-helixtrans-58.4-41.7174.4-179.663.4000112.2A1168 F1169 L1174 L1175 L1176 L1202A1168-L1172 PolarHBondContact O-N 3.2Å; A1168-L1172 VanDerWaalsContact O-N 3.08Å; F1169-L1172 HydrophobicContact CD1-CD2 4.15Å; F1169-L1172 HydrophobicContact CE1-CD2 4.44Å; F1169-L1172 WeakPolarHBondContact O-CB 3.41Å; F1169-L1172 PolarHBondContact O-N 3.06Å; L1172-L1174 PolarHBondContact O-N 3.4Å; L1172-L1175 PolarHBondContact O-N 3.17Å; L1172-L1176 HydrophobicContact CD1-CD1 4.37Å; L1172-L1176 HydrophobicContact CD1-CG 4.41Å; L1172-L1176 HydrophobicContact CG-CD1 4.11Å; L1172-L1176 WeakPolarHBondContact O-CB 3.41Å; L1172-L1176 VanDerWaalsContact O-CG 3.3Å; L1172-L1176 WeakPolarHBondContact O-CG 3.35Å; L1172-L1176 PolarHBondContact O-N 3.02Å; L1172-L1202 HydrophobicContact CD2-CD1 3.93Å; L1172-L1202 HydrophobicContact CD2-CD2 4.34Å
1173Y94.7Very high91.6Very high2.2 Ų2.231.2 Ų31.21%0.00918%0.176CC..Hα-helixtrans-66.2-37.3178-65-24.9000113.1T1161 T1162 F1169 S1170 V1171 M1177 L1199 L1202 Q1206 D1254T1161-Y1173 HydrophobicContact CG2-CD2 4.37Å; T1161-Y1173 HydrophobicContact CG2-CE2 4.26Å; T1162-Y1173 HydrophobicContact CG2-CD2 4.49Å; F1169-Y1173 HydrophobicContact CB-CE2 4.34Å; F1169-Y1173 VanDerWaalsContact O-CD2 3.22Å; F1169-Y1173 WeakPolarHBondContact O-CD2 3.39Å; F1169-Y1173 VanDerWaalsContact O-CG 3.23Å; F1169-Y1173 PolarHBondContact O-N 2.98Å; S1170-Y1173 PolarHBondContact O-N 3.04Å; V1171-Y1173 VanDerWaalsContact C-N 3.31Å; V1171-Y1173 PolarHBondContact O-N 3.28Å; Y1173-M1177 WeakPolarHBondContact O-CB 3.44Å; Y1173-M1177 PolarHBondContact O-N 3.21Å; Y1173-L1199 HydrophobicContact CD1-CD2 3.86Å; Y1173-L1199 HydrophobicContact CE1-CD2 3.5Å; Y1173-L1199 VanDerWaalsContact CE1-CD2 3.45Å; Y1173-L1202 HydrophobicContact CE1-CD1 3.99Å; Y1173-Q1206 PolarHBondContact OH-NE2 3.18Å; Y1173-Q1206 VanDerWaalsContact OH-NE2 3.1Å; Y1173-D1254 VanDerWaalsContact CE2-OD1 3.3Å; Y1173-D1254 WeakPolarHBondContact CE2-OD1 3.21Å; Y1173-D1254 WeakPolarHBondContact CE2-OD2 3.46Å; Y1173-D1254 PolarHBondContact OH-OD2 3.31Å
1174L94.8Very high91.4Very high0 Ų033.5 Ų33.50%019%0.191CC..Hα-helixtrans-66.6-45.8172.4-66.2177.4000111.6V1159 T1162 S1170 V1171 L1172 L1176 M1177 L1178 F1376 I1379 L1380 C1383V1159-L1174 HydrophobicContact CG2-CD2 4.37Å; T1162-L1174 HydrophobicContact CG2-CD1 3.9Å; T1162-L1174 HydrophobicContact CG2-CD2 3.96Å; T1162-L1174 HydrophobicContact CG2-CG 3.76Å; S1170-L1174 WeakPolarHBondContact O-CG 3.37Å; S1170-L1174 PolarHBondContact O-N 3.4Å; S1170-L1174 VanDerWaalsContact O-N 3.12Å; V1171-L1174 PolarHBondContact O-N 3.27Å; L1172-L1174 PolarHBondContact O-N 3.4Å; L1174-L1176 VanDerWaalsContact C-N 3.3Å; L1174-L1176 PolarHBondContact O-N 3.11Å; L1174-M1177 HydrophobicContact CD2-CE 4.28Å; L1174-M1177 CarbonylContact O-C 3.59Å; L1174-M1177 WeakPolarHBondContact O-CA 3.35Å; L1174-M1177 WeakPolarHBondContact O-CB 3.42Å; L1174-M1177 PolarHBondContact O-N 3.22Å; L1174-L1178 PolarHBondContact O-N 3.01Å; L1174-F1376 HydrophobicContact CB-CE2 4.09Å; L1174-F1376 HydrophobicContact CB-CZ 4.08Å; L1174-F1376 HydrophobicContact CD2-CE2 3.87Å; L1174-F1376 WeakPolarHBondContact O-CZ 3.33Å; L1174-I1379 HydrophobicContact CD1-CG2 3.99Å; L1174-I1379 HydrophobicContact CD2-CG2 4.14Å; L1174-L1380 HydrophobicContact CB-CD1 3.96Å; L1174-L1380 HydrophobicContact CD1-CB 4.11Å; L1174-L1380 HydrophobicContact CD1-CD1 4.01Å; L1174-L1380 HydrophobicContact CD1-CG 4.32Å; L1174-L1380 HydrophobicContact CG-CD1 4.49Å; L1174-C1383 HydrophobicContact CD1-CB 4.12Å
1175L94.3Very high91.4Very high88.4 Ų88.433.3 Ų33.346%0.46318%0.181SC..Hα-helixtrans-59.9-39.6177.2-70.6172000112.2V1171 L1172 L1380V1171-L1175 HydrophobicContact CG1-CD1 4.1Å; V1171-L1175 HydrophobicContact CG1-CG 4.44Å; V1171-L1175 WeakPolarHBondContact O-CG 3.25Å; V1171-L1175 PolarHBondContact O-N 3.03Å; L1172-L1175 PolarHBondContact O-N 3.17Å; L1175-L1380 HydrophobicContact CD2-CD1 4.21Å; L1175-L1380 HydrophobicContact CD2-CD2 4.39Å; L1175-L1380 HydrophobicContact CG-CD1 4.45Å
1176L93.3Very high91.2Very high33.6 Ų33.643.2 Ų43.218%0.17622%0.218CC..Hα-helixtrans-65.9-39.7171.3-70.8169.2000111.9L1172 L1174 L1178 V1179 F1180 Y1195 I1198L1172-L1176 HydrophobicContact CD1-CD1 4.37Å; L1172-L1176 HydrophobicContact CD1-CG 4.41Å; L1172-L1176 HydrophobicContact CG-CD1 4.11Å; L1172-L1176 WeakPolarHBondContact O-CB 3.41Å; L1172-L1176 VanDerWaalsContact O-CG 3.3Å; L1172-L1176 WeakPolarHBondContact O-CG 3.35Å; L1172-L1176 PolarHBondContact O-N 3.02Å; L1174-L1176 VanDerWaalsContact C-N 3.3Å; L1174-L1176 PolarHBondContact O-N 3.11Å; L1176-L1178 VanDerWaalsContact C-N 3.35Å; L1176-L1178 PolarHBondContact O-N 2.99Å; L1176-V1179 PolarHBondContact O-N 3.31Å; L1176-F1180 VanDerWaalsContact O-CD2 3.25Å; L1176-F1180 WeakPolarHBondContact O-CD2 3.31Å; L1176-Y1195 HydrophobicContact CB-CD2 4.25Å; L1176-Y1195 HydrophobicContact CB-CE2 3.85Å; L1176-Y1195 HydrophobicContact CD1-CD2 4.42Å; L1176-Y1195 HydrophobicContact CD1-CE2 4.17Å; L1176-Y1195 HydrophobicContact CG-CE2 4.48Å; L1176-I1198 HydrophobicContact CD1-CG2 3.98Å; L1176-I1198 HydrophobicContact CD2-CD1 4.36Å
1177M93.5Very high91.3Very high3.8 Ų3.844.9 Ų44.92%0.01923%0.229CC..Hα-helixtrans-67.8-31.9179.4-167.4176.469.500113.2H1155 T1158 V1159 Y1173 L1174 V1179 F1180 L1181 F1376 F1443H1155-M1177 HydrophobicContact CB-SD 4.01Å; H1155-M1177 WeakPolarHBondContact ND1-CG 3.27Å; H1155-M1177 PolarHBondContact ND1-SD 3.34Å; H1155-M1177 VanDerWaalsContact ND1-SD 3.37Å; T1158-M1177 HydrophobicContact CG2-CB 4.29Å; T1158-M1177 HydrophobicContact CG2-SD 4Å; V1159-M1177 HydrophobicContact CG2-CE 3.6Å; V1159-M1177 HydrophobicContact CG2-SD 4.32Å; Y1173-M1177 WeakPolarHBondContact O-CB 3.44Å; Y1173-M1177 PolarHBondContact O-N 3.21Å; L1174-M1177 HydrophobicContact CD2-CE 4.28Å; L1174-M1177 CarbonylContact O-C 3.59Å; L1174-M1177 WeakPolarHBondContact O-CA 3.35Å; L1174-M1177 WeakPolarHBondContact O-CB 3.42Å; L1174-M1177 PolarHBondContact O-N 3.22Å; M1177-V1179 PolarHBondContact O-N 2.92Å; M1177-F1180 PolarHBondContact O-N 3.03Å; M1177-L1181 PolarHBondContact O-N 3.17Å; M1177-F1376 HydrophobicContact CE-CD2 3.6Å; M1177-F1376 HydrophobicContact CE-CE2 3.51Å; M1177-F1376 VanDerWaalsContact CE-CE2 3.47Å; M1177-F1443 HydrophobicContact CE-CZ 4Å; M1177-F1443 HydrophobicContact SD-CZ 4.45Å
1178L92.6Very high91.4Very high71.2 Ų71.244.9 Ų44.937%0.37323%0.229SC..Hα-helixtrans-54.3-38.4177.5177.356.7000112.2L1174 L1176 F1180 L1181 F1182 F1376L1174-L1178 PolarHBondContact O-N 3.01Å; L1176-L1178 VanDerWaalsContact C-N 3.35Å; L1176-L1178 PolarHBondContact O-N 2.99Å; L1178-F1180 PolarHBondContact O-N 3.14Å; L1178-L1181 PolarHBondContact O-N 3.02Å; L1178-F1182 HydrophobicContact CD1-CD2 4.27Å; L1178-F1182 HydrophobicContact CD1-CE2 4Å; L1178-F1376 HydrophobicContact CB-CE1 3.94Å; L1178-F1376 HydrophobicContact CB-CZ 3.89Å; L1178-F1376 HydrophobicContact CD1-CD1 4.25Å; L1178-F1376 HydrophobicContact CD1-CE1 3.79Å; L1178-F1376 HydrophobicContact CD2-CE1 4.42Å; L1178-F1376 HydrophobicContact CG-CE1 4.25Å
1179V90.5Very high91.4Very high76.4 Ų76.444.6 Ų44.646%0.46323%0.226SC..Hα-helixtrans-60-32.3176.3-175.50000112L1176 M1177 S1183 L1191L1176-V1179 PolarHBondContact O-N 3.31Å; M1177-V1179 PolarHBondContact O-N 2.92Å; V1179-S1183 VanDerWaalsContact O-CB 3.31Å; V1179-S1183 WeakPolarHBondContact O-CB 3.4Å; V1179-S1183 PolarHBondContact O-OG 3.32Å; V1179-L1191 HydrophobicContact CG1-CD1 4.26Å
1180F91.8Very high91.3Very high12.4 Ų12.452.6 Ų52.65%0.05426%0.255CS..Hα-helixtrans-94-29.5-176.6-64.4-75.5000113.8L1176 M1177 L1178 F1182 S1183 C1188 L1191 W1192 Y1195L1176-F1180 VanDerWaalsContact O-CD2 3.25Å; L1176-F1180 WeakPolarHBondContact O-CD2 3.31Å; M1177-F1180 PolarHBondContact O-N 3.03Å; L1178-F1180 PolarHBondContact O-N 3.14Å; F1180-F1182 VanDerWaalsContact C-N 3.32Å; F1180-F1182 PolarHBondContact O-N 3.17Å; F1180-S1183 PolarHBondContact O-N 3.02Å; F1180-S1183 VanDerWaalsContact O-N 3.13Å; F1180-C1188 HydrophobicContact CD1-CB 4.07Å; F1180-L1191 HydrophobicContact CE1-CB 3.79Å; F1180-L1191 HydrophobicContact CZ-CB 4.07Å; F1180-W1192 AromaticContact CD1-CE3 3.96Å; F1180-W1192 HydrophobicContact CD1-CE3 4.03Å; F1180-W1192 AromaticContact CD1-CZ3 4Å; F1180-W1192 HydrophobicContact CD1-CZ3 4.08Å; F1180-W1192 AromaticContact CE1-CE3 3.93Å; F1180-W1192 HydrophobicContact CE1-CE3 3.93Å; F1180-W1192 HydrophobicContact CE1-CZ3 4.39Å; F1180-W1192 HydrophobicContact CG-CZ3 4.33Å; F1180-W1192 HydrophobicContact CZ-CE3 4.42Å; F1180-Y1195 AromaticContact CE2-CD1 3.96Å; F1180-Y1195 HydrophobicContact CE2-CD1 4.04Å; F1180-Y1195 AromaticContact CE2-CD2 3.98Å; F1180-Y1195 HydrophobicContact CE2-CD2 4.01Å; F1180-Y1195 AromaticContact CE2-CG 3.71Å; F1180-Y1195 HydrophobicContact CE2-CG 3.71Å; F1180-Y1195 HydrophobicContact CZ-CD1 4.34Å; F1180-Y1195 HydrophobicContact CZ-CG 4.01Å
1181L89.4Confident91.3Very high7.8 Ų7.855.9 Ų55.94%0.04127%0.272CS..Hα-helixtrans-58.6-41.4-169.7-172.662.5000113.6M1177 L1178 I1372 F1376 F1443 I1447 R1450M1177-L1181 PolarHBondContact O-N 3.17Å; L1178-L1181 PolarHBondContact O-N 3.02Å; L1181-I1372 HydrophobicContact CD1-CG2 3.94Å; L1181-I1372 HydrophobicContact CD2-CG2 4.01Å; L1181-I1372 HydrophobicContact CG-CG2 4.08Å; L1181-F1376 HydrophobicContact CD2-CB 3.78Å; L1181-F1376 HydrophobicContact CD2-CD1 4.18Å; L1181-F1376 HydrophobicContact CD2-CD2 3.98Å; L1181-F1376 HydrophobicContact CD2-CG 3.68Å; L1181-F1443 HydrophobicContact CD1-CE2 4.26Å; L1181-F1443 HydrophobicContact CD1-CZ 4.2Å; L1181-I1447 HydrophobicContact CD1-CD1 4.15Å; L1181-R1450 PolarHBondContact O-NH1 3.01Å; L1181-R1450 PolarHBondContact O-NH2 3.08Å; L1181-R1450 VanDerWaalsContact O-NH2 3.11Å
1182F87.5Confident91.3Very high90.8 Ų90.855.1 Ų55.140%0.39827%0.267SS..SBendtrans-103.2-9.1179-56.6-65.9000113.8L1178 F1180 N1369 I1372L1178-F1182 HydrophobicContact CD1-CD2 4.27Å; L1178-F1182 HydrophobicContact CD1-CE2 4Å; F1180-F1182 VanDerWaalsContact C-N 3.32Å; F1180-F1182 PolarHBondContact O-N 3.17Å; F1182-N1369 HydrophobicContact CD1-CB 4.24Å; F1182-N1369 HydrophobicContact CE1-CB 4.07Å; F1182-I1372 HydrophobicContact CE1-CG2 4.26Å; F1182-I1372 HydrophobicContact CZ-CG2 4.43Å
1183S88Confident91.3Very high32.6 Ų32.654.4 Ų54.423%0.22827%0.267CS..SBendtrans-68.8142.1179.8-82.70000111.9V1179 F1180 C1188V1179-S1183 VanDerWaalsContact O-CB 3.31Å; V1179-S1183 WeakPolarHBondContact O-CB 3.4Å; V1179-S1183 PolarHBondContact O-OG 3.32Å; F1180-S1183 PolarHBondContact O-N 3.02Å; F1180-S1183 VanDerWaalsContact O-N 3.13Å; S1183-C1188 WeakPolarHBondContact CB-SG 3.35Å; S1183-C1188 PolarHBondContact O-SG 3.15Å
1184P86.7Confident91.2Very high83 Ų8357.7 Ų57.754%0.53929%0.29SS..  trans-69.2147.5174.328.9-34.3000110.7R1186 V1187 C1188P1184-R1186 PolarHBondContact O-N 3.17Å; P1184-V1187 HydrophobicContact CG-CB 4.13Å; P1184-V1187 HydrophobicContact CG-CG2 3.81Å; P1184-V1187 WeakPolarHBondContact O-CA 3.45Å; P1184-V1187 PolarHBondContact O-N 3.22Å; P1184-C1188 PolarHBondContact O-N 3.14Å; P1184-C1188 VanDerWaalsContact O-N 3.13Å
1185R88.6Confident91.2Very high39.8 Ų39.858.1 Ų58.115%0.1529%0.292CS..Hα-helixtrans-46.7-35.4-175.6-165.1179-172.4122.912.3114.2C1188 A1189 F1268 E1271 N1284R1185-C1188 PolarHBondContact O-N 3.25Å; R1185-A1189 WeakPolarHBondContact O-CB 3.37Å; R1185-A1189 PolarHBondContact O-N 3.21Å; R1185-F1268 HydrophobicContact CG-CE1 3.88Å; R1185-E1271 IonicContact CZ-OE1 3.61Å; R1185-E1271 IonicContact CZ-OE2 3.38Å; R1185-E1271 IonicContact NE-OE1 3.46Å; R1185-E1271 PolarHBondContact NE-OE1 3.13Å; R1185-E1271 IonicContact NE-OE2 3.23Å; R1185-E1271 PolarHBondContact NE-OE2 3.17Å; R1185-E1271 IonicContact NH2-OE1 3.66Å; R1185-E1271 PolarHBondContact NH2-OE1 3.22Å; R1185-E1271 IonicContact NH2-OE2 3.33Å; R1185-E1271 PolarHBondContact NH2-OE2 3.27Å; R1185-N1284 VanDerWaalsContact CD-O 3.3Å; R1185-N1284 WeakPolarHBondContact CD-O 3.43Å; R1185-N1284 PolarHBondContact NE-O 3.34Å; R1185-N1284 PolarHBondContact NH1-O 3.03Å; R1185-N1284 PolarHBondContact NH2-ND2 3.12Å; R1185-N1284 VanDerWaalsContact NH2-ND2 3.15Å
1186R86Confident91.2Very high208.6 Ų208.654.6 Ų54.679%0.78727%0.273SS*.Hα-helixtrans-63.5-39.7175.8-65.4-178.9-179.9170.5-0.2113.6P1184 R1190P1184-R1186 PolarHBondContact O-N 3.17Å; R1186-R1190 PolarHBondContact O-N 3.17Å
1187V90.5Very high91.2Very high54.6 Ų54.657 Ų5733%0.33129%0.289SS..Hα-helixtrans-74.8-43.2176.6171.60000109.8P1184 A1189 R1190 L1191P1184-V1187 HydrophobicContact CG-CB 4.13Å; P1184-V1187 HydrophobicContact CG-CG2 3.81Å; P1184-V1187 WeakPolarHBondContact O-CA 3.45Å; P1184-V1187 PolarHBondContact O-N 3.22Å; V1187-A1189 VanDerWaalsContact C-N 3.33Å; V1187-A1189 PolarHBondContact O-N 3.08Å; V1187-R1190 WeakPolarHBondContact O-CB 3.33Å; V1187-R1190 PolarHBondContact O-N 3.16Å; V1187-L1191 HydrophobicContact CG1-CD1 3.8Å; V1187-L1191 HydrophobicContact CG1-CG 4.34Å; V1187-L1191 PolarHBondContact O-N 3.46Å
1188C91.8Very high91.3Very high0.2 Ų0.260.3 Ų60.30%0.00131%0.306CS..Hα-helixtrans-54.7-49.5174-57.50000111.1F1180 S1183 P1184 R1185 R1190 L1191 W1192 F1268F1180-C1188 HydrophobicContact CD1-CB 4.07Å; S1183-C1188 WeakPolarHBondContact CB-SG 3.35Å; S1183-C1188 PolarHBondContact O-SG 3.15Å; P1184-C1188 PolarHBondContact O-N 3.14Å; P1184-C1188 VanDerWaalsContact O-N 3.13Å; R1185-C1188 PolarHBondContact O-N 3.25Å; C1188-R1190 PolarHBondContact O-N 3.01Å; C1188-R1190 VanDerWaalsContact O-N 3.16Å; C1188-L1191 PolarHBondContact O-N 3.16Å; C1188-W1192 VanDerWaalsContact O-CB 3.31Å; C1188-W1192 WeakPolarHBondContact O-CB 3.34Å; C1188-W1192 PolarHBondContact O-N 3.05Å; C1188-F1268 HydrophobicContact CB-CZ 4.25Å
1189A91.1Very high91.3Very high13.2 Ų13.257.1 Ų57.111%0.10929%0.289CS..Hα-helixtrans-62-23.2178.100000114.5R1185 V1187 F1268 Q1272R1185-A1189 WeakPolarHBondContact O-CB 3.37Å; R1185-A1189 PolarHBondContact O-N 3.21Å; V1187-A1189 VanDerWaalsContact C-N 3.33Å; V1187-A1189 PolarHBondContact O-N 3.08Å; A1189-F1268 HydrophobicContact CB-CB 4.12Å; A1189-F1268 HydrophobicContact CB-CD1 3.59Å; A1189-F1268 HydrophobicContact CB-CD2 4.21Å; A1189-F1268 HydrophobicContact CB-CE1 3.94Å; A1189-F1268 HydrophobicContact CB-CE2 4.49Å; A1189-F1268 HydrophobicContact CB-CG 3.73Å; A1189-F1268 HydrophobicContact CB-CZ 4.38Å; A1189-Q1272 PolarHBondContact O-NE2 3.36Å
1190R91.9Very high91.5Very high200.8 Ų200.854.4 Ų54.476%0.75828%0.275SS*.Hα-helixtrans-84.3-37.7176.1-174.3-178.3-69.5172.3-3.6112.4R1186 V1187 C1188 P1193R1186-R1190 PolarHBondContact O-N 3.17Å; V1187-R1190 WeakPolarHBondContact O-CB 3.33Å; V1187-R1190 PolarHBondContact O-N 3.16Å; C1188-R1190 PolarHBondContact O-N 3.01Å; C1188-R1190 VanDerWaalsContact O-N 3.16Å; R1190-P1193 WeakPolarHBondContact O-CD 3.38Å
1191L92.5Very high91.6Very high68.4 Ų68.457.7 Ų57.736%0.35830%0.296SS..Hα-helixtrans-88.3-15.9-179.1-63.3177.7000113.5V1179 F1180 V1187 C1188 P1193 S1194 Y1195V1179-L1191 HydrophobicContact CG1-CD1 4.26Å; F1180-L1191 HydrophobicContact CE1-CB 3.79Å; F1180-L1191 HydrophobicContact CZ-CB 4.07Å; V1187-L1191 HydrophobicContact CG1-CD1 3.8Å; V1187-L1191 HydrophobicContact CG1-CG 4.34Å; V1187-L1191 PolarHBondContact O-N 3.46Å; C1188-L1191 PolarHBondContact O-N 3.16Å; L1191-P1193 VanDerWaalsContact C-CD 3.41Å; L1191-S1194 WeakPolarHBondContact O-CB 3.4Å; L1191-S1194 PolarHBondContact O-N 3.15Å; L1191-Y1195 PolarHBondContact O-N 3.09Å; L1191-Y1195 VanDerWaalsContact O-N 3.16Å
1192W94.4Very high91.8Very high4.6 Ų4.658.4 Ų58.42%0.01730%0.3CS..Hα-helixtrans-54.4-40.2-179.3-150.9-102.2000115.5L1151 C1154 F1180 C1188 S1194 Y1195 M1196 V1261 Q1264 F1268L1151-W1192 HydrophobicContact CD1-CH2 3.96Å; L1151-W1192 HydrophobicContact CD1-CZ3 3.87Å; C1154-W1192 HydrophobicContact CB-CH2 4Å; C1154-W1192 HydrophobicContact CB-CZ2 4.22Å; F1180-W1192 AromaticContact CD1-CE3 3.96Å; F1180-W1192 HydrophobicContact CD1-CE3 4.03Å; F1180-W1192 AromaticContact CD1-CZ3 4Å; F1180-W1192 HydrophobicContact CD1-CZ3 4.08Å; F1180-W1192 AromaticContact CE1-CE3 3.93Å; F1180-W1192 HydrophobicContact CE1-CE3 3.93Å; F1180-W1192 HydrophobicContact CE1-CZ3 4.39Å; F1180-W1192 HydrophobicContact CG-CZ3 4.33Å; F1180-W1192 HydrophobicContact CZ-CE3 4.42Å; C1188-W1192 VanDerWaalsContact O-CB 3.31Å; C1188-W1192 WeakPolarHBondContact O-CB 3.34Å; C1188-W1192 PolarHBondContact O-N 3.05Å; W1192-S1194 VanDerWaalsContact C-N 3.32Å; W1192-S1194 PolarHBondContact O-N 3.19Å; W1192-Y1195 HydrophobicContact CD2-CD1 4.46Å; W1192-Y1195 HydrophobicContact CE3-CD1 4.36Å; W1192-Y1195 HydrophobicContact CH2-CD1 4.43Å; W1192-Y1195 HydrophobicContact CH2-CE1 4.41Å; W1192-Y1195 HydrophobicContact CZ3-CD1 4.35Å; W1192-Y1195 HydrophobicContact CZ3-CE1 4.47Å; W1192-Y1195 PolarHBondContact O-N 3.14Å; W1192-M1196 WeakPolarHBondContact O-CB 3.42Å; W1192-M1196 PolarHBondContact O-N 3.16Å; W1192-V1261 HydrophobicContact CZ2-CB 4.23Å; W1192-V1261 HydrophobicContact CZ2-CG1 4.08Å; W1192-V1261 HydrophobicContact CZ2-CG2 3.95Å; W1192-V1261 PolarHBondContact NE1-O 3.28Å; W1192-Q1264 HydrophobicContact CH2-CG 4.18Å; W1192-Q1264 HydrophobicContact CZ2-CB 3.69Å; W1192-Q1264 HydrophobicContact CZ2-CG 3.53Å; W1192-F1268 HydrophobicContact CB-CD2 4.01Å; W1192-F1268 HydrophobicContact CB-CE2 4.16Å; W1192-F1268 HydrophobicContact CD2-CD2 4.09Å; W1192-F1268 AromaticContact CD2-CE2 3.62Å; W1192-F1268 HydrophobicContact CD2-CE2 3.62Å; W1192-F1268 AromaticContact CE3-CE2 3.82Å; W1192-F1268 HydrophobicContact CE3-CE2 3.82Å; W1192-F1268 AromaticContact CG-CD2 3.77Å; W1192-F1268 HydrophobicContact CG-CD2 3.77Å; W1192-F1268 AromaticContact CG-CE2 3.79Å; W1192-F1268 HydrophobicContact CG-CE2 3.79Å; W1192-F1268 HydrophobicContact CZ3-CE2 4.42Å
1193P93Very high92Very high50 Ų5054.3 Ų54.333%0.32528%0.282SS..Hα-helixtrans-61-41.5178.4-22.534.5000112R1190 L1191 M1196 V1197 F1265R1190-P1193 WeakPolarHBondContact O-CD 3.38Å; L1191-P1193 VanDerWaalsContact C-CD 3.41Å; P1193-M1196 PolarHBondContact O-N 3.34Å; P1193-V1197 VanDerWaalsContact O-CG2 3.31Å; P1193-V1197 WeakPolarHBondContact O-CG2 3.35Å; P1193-V1197 PolarHBondContact O-N 3.08Å; P1193-F1265 HydrophobicContact CG-CE2 4.15Å
1194S93Very high92.3Very high71.8 Ų71.853.9 Ų53.950%0.50228%0.278SS..Hα-helixtrans-64.7-43.1177.2-51.20000111.7L1191 W1192 V1197 I1198L1191-S1194 WeakPolarHBondContact O-CB 3.4Å; L1191-S1194 PolarHBondContact O-N 3.15Å; W1192-S1194 VanDerWaalsContact C-N 3.32Å; W1192-S1194 PolarHBondContact O-N 3.19Å; S1194-V1197 PolarHBondContact O-N 3.17Å; S1194-I1198 VanDerWaalsContact O-CG1 3.29Å; S1194-I1198 WeakPolarHBondContact O-CG1 3.42Å; S1194-I1198 PolarHBondContact O-N 3.35Å
1195Y93.8Very high92.6Very high8.8 Ų8.854 Ų544%0.03527%0.273CS..Hα-helixtrans-63.4-42.5175.5176.8-125.6000112.5L1176 F1180 L1191 W1192 V1197 I1198 L1199 Q1257 V1261L1176-Y1195 HydrophobicContact CB-CD2 4.25Å; L1176-Y1195 HydrophobicContact CB-CE2 3.85Å; L1176-Y1195 HydrophobicContact CD1-CD2 4.42Å; L1176-Y1195 HydrophobicContact CD1-CE2 4.17Å; L1176-Y1195 HydrophobicContact CG-CE2 4.48Å; F1180-Y1195 AromaticContact CE2-CD1 3.96Å; F1180-Y1195 HydrophobicContact CE2-CD1 4.04Å; F1180-Y1195 AromaticContact CE2-CD2 3.98Å; F1180-Y1195 HydrophobicContact CE2-CD2 4.01Å; F1180-Y1195 AromaticContact CE2-CG 3.71Å; F1180-Y1195 HydrophobicContact CE2-CG 3.71Å; F1180-Y1195 HydrophobicContact CZ-CD1 4.34Å; F1180-Y1195 HydrophobicContact CZ-CG 4.01Å; L1191-Y1195 PolarHBondContact O-N 3.09Å; L1191-Y1195 VanDerWaalsContact O-N 3.16Å; W1192-Y1195 HydrophobicContact CD2-CD1 4.46Å; W1192-Y1195 HydrophobicContact CE3-CD1 4.36Å; W1192-Y1195 HydrophobicContact CH2-CD1 4.43Å; W1192-Y1195 HydrophobicContact CH2-CE1 4.41Å; W1192-Y1195 HydrophobicContact CZ3-CD1 4.35Å; W1192-Y1195 HydrophobicContact CZ3-CE1 4.47Å; W1192-Y1195 PolarHBondContact O-N 3.14Å; Y1195-V1197 VanDerWaalsContact C-N 3.34Å; Y1195-V1197 PolarHBondContact O-N 3.32Å; Y1195-I1198 PolarHBondContact O-N 3.14Å; Y1195-L1199 HydrophobicContact CD1-CD1 4.5Å; Y1195-L1199 HydrophobicContact CD2-CD1 4.45Å; Y1195-L1199 HydrophobicContact CD2-CG 4.34Å; Y1195-L1199 HydrophobicContact CE1-CD1 4.01Å; Y1195-L1199 HydrophobicContact CE2-CD1 4.02Å; Y1195-L1199 HydrophobicContact CE2-CD2 4.15Å; Y1195-L1199 HydrophobicContact CE2-CG 3.99Å; Y1195-L1199 WeakPolarHBondContact O-CG 3.45Å; Y1195-L1199 PolarHBondContact O-N 2.98Å; Y1195-Q1257 PolarHBondContact OH-NE2 3.12Å; Y1195-Q1257 VanDerWaalsContact OH-NE2 3.16Å; Y1195-V1261 HydrophobicContact CD1-CG1 4.05Å; Y1195-V1261 HydrophobicContact CD1-CG2 4.29Å; Y1195-V1261 HydrophobicContact CE1-CG1 4.21Å; Y1195-V1261 HydrophobicContact CE1-CG2 3.63Å
1196M94.3Very high92.8Very high14 Ų1452.1 Ų52.17%0.06927%0.266CS..Hα-helixtrans-61.3-40.9174.4-174.3-165.458.100111.9P1017 W1192 P1193 A1200 F1258 V1261 A1262 F1265P1017-M1196 HydrophobicContact CB-CE 4.23Å; P1017-M1196 HydrophobicContact CB-SD 3.9Å; P1017-M1196 HydrophobicContact CG-CE 4.17Å; P1017-M1196 HydrophobicContact CG-SD 3.93Å; W1192-M1196 WeakPolarHBondContact O-CB 3.42Å; W1192-M1196 PolarHBondContact O-N 3.16Å; P1193-M1196 PolarHBondContact O-N 3.34Å; M1196-A1200 VanDerWaalsContact O-CB 3.23Å; M1196-A1200 WeakPolarHBondContact O-CB 3.39Å; M1196-A1200 PolarHBondContact O-N 3.24Å; M1196-F1258 HydrophobicContact CG-CE2 4.12Å; M1196-V1261 HydrophobicContact CB-CG1 3.93Å; M1196-V1261 HydrophobicContact CG-CG1 4.2Å; M1196-A1262 HydrophobicContact SD-CB 4.46Å; M1196-F1265 HydrophobicContact CE-CB 4.23Å; M1196-F1265 HydrophobicContact CE-CD1 3.79Å; M1196-F1265 VanDerWaalsContact CE-CD1 3.4Å; M1196-F1265 HydrophobicContact CE-CD2 4.04Å; M1196-F1265 HydrophobicContact CE-CE1 3.97Å; M1196-F1265 HydrophobicContact CE-CE2 4.24Å; M1196-F1265 HydrophobicContact CE-CG 3.72Å; M1196-F1265 VanDerWaalsContact CE-CG 3.47Å; M1196-F1265 HydrophobicContact CE-CZ 4.13Å; M1196-F1265 HydrophobicContact SD-CB 3.9Å; M1196-F1265 HydrophobicContact SD-CD1 3.8Å; M1196-F1265 HydrophobicContact SD-CD2 4.5Å; M1196-F1265 HydrophobicContact SD-CE1 4.46Å; M1196-F1265 HydrophobicContact SD-CG 3.85Å
1197V94.3Very high93.1Very high84.8 Ų84.842.4 Ų42.451%0.51423%0.23SC..Hα-helixtrans-67.8-38.7175.8170.10000111.9P1193 S1194 Y1195 A1200 V1201P1193-V1197 VanDerWaalsContact O-CG2 3.31Å; P1193-V1197 WeakPolarHBondContact O-CG2 3.35Å; P1193-V1197 PolarHBondContact O-N 3.08Å; S1194-V1197 PolarHBondContact O-N 3.17Å; Y1195-V1197 VanDerWaalsContact C-N 3.34Å; Y1195-V1197 PolarHBondContact O-N 3.32Å; V1197-A1200 WeakPolarHBondContact O-CB 3.38Å; V1197-A1200 PolarHBondContact O-N 3.07Å; V1197-V1201 HydrophobicContact CG1-CG2 4.48Å; V1197-V1201 WeakPolarHBondContact O-CG2 3.41Å; V1197-V1201 PolarHBondContact O-N 3.15Å
1198I94.6Very high93.2Very high73.2 Ų73.241.9 Ų41.938%0.37523%0.232SC..Hα-helixtrans-61.9-49.7174.9-70.5162.4000110.4L1176 S1194 Y1195 A1200 V1201 L1202L1176-I1198 HydrophobicContact CD1-CG2 3.98Å; L1176-I1198 HydrophobicContact CD2-CD1 4.36Å; S1194-I1198 VanDerWaalsContact O-CG1 3.29Å; S1194-I1198 WeakPolarHBondContact O-CG1 3.42Å; S1194-I1198 PolarHBondContact O-N 3.35Å; Y1195-I1198 PolarHBondContact O-N 3.14Å; I1198-A1200 VanDerWaalsContact C-N 3.31Å; I1198-A1200 PolarHBondContact O-N 3.1Å; I1198-V1201 PolarHBondContact O-N 3.14Å; I1198-L1202 HydrophobicContact CG2-CD1 3.85Å; I1198-L1202 HydrophobicContact CG2-CG 4.44Å; I1198-L1202 WeakPolarHBondContact O-CB 3.18Å; I1198-L1202 VanDerWaalsContact O-CG 3.27Å; I1198-L1202 WeakPolarHBondContact O-CG 3.35Å; I1198-L1202 PolarHBondContact O-N 3.17Å
1199L93.9Very high93.1Very high3.2 Ų3.242.8 Ų42.82%0.01724%0.238CC..Hα-helixtrans-61.6-38.9175.5-66.3-176.1000112.3Y1173 Y1195 V1201 L1202 I1203 Q1257 F1258 V1261Y1173-L1199 HydrophobicContact CD1-CD2 3.86Å; Y1173-L1199 HydrophobicContact CE1-CD2 3.5Å; Y1173-L1199 VanDerWaalsContact CE1-CD2 3.45Å; Y1195-L1199 HydrophobicContact CD1-CD1 4.5Å; Y1195-L1199 HydrophobicContact CD2-CD1 4.45Å; Y1195-L1199 HydrophobicContact CD2-CG 4.34Å; Y1195-L1199 HydrophobicContact CE1-CD1 4.01Å; Y1195-L1199 HydrophobicContact CE2-CD1 4.02Å; Y1195-L1199 HydrophobicContact CE2-CD2 4.15Å; Y1195-L1199 HydrophobicContact CE2-CG 3.99Å; Y1195-L1199 WeakPolarHBondContact O-CG 3.45Å; Y1195-L1199 PolarHBondContact O-N 2.98Å; L1199-V1201 VanDerWaalsContact C-N 3.33Å; L1199-V1201 PolarHBondContact O-N 3.26Å; L1199-L1202 PolarHBondContact O-N 3.05Å; L1199-I1203 WeakPolarHBondContact O-CG1 3.45Å; L1199-I1203 PolarHBondContact O-N 3.43Å; L1199-Q1257 HydrophobicContact CD1-CG 4.18Å; L1199-F1258 HydrophobicContact CB-CD2 4.12Å; L1199-V1261 HydrophobicContact CD1-CB 4.3Å; L1199-V1261 HydrophobicContact CD1-CG1 4.3Å; L1199-V1261 HydrophobicContact CD1-CG2 3.91Å
1200A93.7Very high93Very high19.6 Ų19.642.6 Ų42.616%0.16224%0.235CC..Hα-helixtrans-60.6-40.1175.900000112.7V1013 M1196 V1197 I1198 P1204 F1258V1013-A1200 VanDerWaalsContact CG1-CA 3.46Å; V1013-A1200 HydrophobicContact CG1-CB 3.36Å; V1013-A1200 WeakPolarHBondContact CG1-O 3.44Å; M1196-A1200 VanDerWaalsContact O-CB 3.23Å; M1196-A1200 WeakPolarHBondContact O-CB 3.39Å; M1196-A1200 PolarHBondContact O-N 3.24Å; V1197-A1200 WeakPolarHBondContact O-CB 3.38Å; V1197-A1200 PolarHBondContact O-N 3.07Å; I1198-A1200 VanDerWaalsContact C-N 3.31Å; I1198-A1200 PolarHBondContact O-N 3.1Å; A1200-P1204 WeakPolarHBondContact O-CD 3.18Å; A1200-P1204 WeakPolarHBondContact O-CG 3.35Å; A1200-F1258 HydrophobicContact CB-CE2 3.91Å; A1200-F1258 HydrophobicContact CB-CZ 4.43Å
1201V94.1Very high92.8Very high82.2 Ų82.234.1 Ų34.150%0.49821%0.206SC..Hα-helixtrans-77-34177.4171.10000111.7V1197 I1198 L1199 P1204 I1205V1197-V1201 HydrophobicContact CG1-CG2 4.48Å; V1197-V1201 WeakPolarHBondContact O-CG2 3.41Å; V1197-V1201 PolarHBondContact O-N 3.15Å; I1198-V1201 PolarHBondContact O-N 3.14Å; L1199-V1201 VanDerWaalsContact C-N 3.33Å; L1199-V1201 PolarHBondContact O-N 3.26Å; V1201-P1204 WeakPolarHBondContact O-CD 3.3Å; V1201-I1205 HydrophobicContact CG1-CD1 3.67Å; V1201-I1205 WeakPolarHBondContact O-CD1 3.33Å; V1201-I1205 VanDerWaalsContact O-CG1 3.3Å; V1201-I1205 WeakPolarHBondContact O-CG1 3.38Å; V1201-I1205 PolarHBondContact O-N 3.22Å
1202L93.6Very high92.5Very high22.4 Ų22.431.8 Ų31.812%0.11720%0.199CC..Hα-helixtrans-67.7-37-179.2-73.3171.7000113.8F1169 L1172 Y1173 I1198 L1199 I1205 Q1206F1169-L1202 HydrophobicContact CD1-CD2 4.4Å; F1169-L1202 HydrophobicContact CE1-CD2 3.87Å; L1172-L1202 HydrophobicContact CD2-CD1 3.93Å; L1172-L1202 HydrophobicContact CD2-CD2 4.34Å; Y1173-L1202 HydrophobicContact CE1-CD1 3.99Å; I1198-L1202 HydrophobicContact CG2-CD1 3.85Å; I1198-L1202 HydrophobicContact CG2-CG 4.44Å; I1198-L1202 WeakPolarHBondContact O-CB 3.18Å; I1198-L1202 VanDerWaalsContact O-CG 3.27Å; I1198-L1202 WeakPolarHBondContact O-CG 3.35Å; I1198-L1202 PolarHBondContact O-N 3.17Å; L1199-L1202 PolarHBondContact O-N 3.05Å; L1202-I1205 PolarHBondContact O-N 3.15Å; L1202-Q1206 WeakPolarHBondContact O-CB 3.42Å; L1202-Q1206 WeakPolarHBondContact O-CG 3.41Å; L1202-Q1206 PolarHBondContact O-N 3.05Å
1203I93.1Very high92Very high4.2 Ų4.235.6 Ų35.62%0.02222%0.219CC..Hα-helixtrans-63.3-48.3-177-70.5171.3000112.5L1009 V1013 L1199 I1205 Q1206 Y1207 L1251 D1254 F1258L1009-I1203 HydrophobicContact CD1-CG2 3.93Å; L1009-I1203 HydrophobicContact CD2-CG2 4.1Å; L1009-I1203 HydrophobicContact CG-CG2 4.16Å; V1013-I1203 HydrophobicContact CG2-CB 4.36Å; V1013-I1203 HydrophobicContact CG2-CG2 4Å; L1199-I1203 WeakPolarHBondContact O-CG1 3.45Å; L1199-I1203 PolarHBondContact O-N 3.43Å; I1203-I1205 PolarHBondContact O-N 3.14Å; I1203-Q1206 PolarHBondContact O-N 3.07Å; I1203-Y1207 WeakPolarHBondContact O-CB 3.38Å; I1203-Y1207 PolarHBondContact O-N 3.11Å; I1203-Y1207 VanDerWaalsContact O-N 3.1Å; I1203-L1251 HydrophobicContact CB-CD1 4.5Å; I1203-L1251 HydrophobicContact CG1-CD1 4.4Å; I1203-L1251 HydrophobicContact CG2-CD1 4.15Å; I1203-L1251 HydrophobicContact CG2-CD2 4.31Å; I1203-L1251 HydrophobicContact CG2-CG 4.17Å; I1203-D1254 HydrophobicContact CD1-CB 4.38Å; I1203-D1254 HydrophobicContact CG1-CB 4.32Å; I1203-F1258 HydrophobicContact CD1-CB 3.63Å; I1203-F1258 HydrophobicContact CD1-CD1 4.46Å; I1203-F1258 HydrophobicContact CD1-CD2 4.47Å; I1203-F1258 HydrophobicContact CD1-CG 3.98Å
1204P92.7Very high91.5Very high24.2 Ų24.235.1 Ų35.116%0.15722%0.216CC..Hα-helixtrans-61.4-37.6171.7-24.133.5000114.1L1009 I1010 A1200 V1201 Y1207 A1208L1009-P1204 HydrophobicContact CD2-CB 3.92Å; L1009-P1204 HydrophobicContact CD2-CG 3.71Å; I1010-P1204 HydrophobicContact CG1-CB 4.22Å; I1010-P1204 HydrophobicContact CG1-CG 4.22Å; A1200-P1204 WeakPolarHBondContact O-CD 3.18Å; A1200-P1204 WeakPolarHBondContact O-CG 3.35Å; V1201-P1204 WeakPolarHBondContact O-CD 3.3Å; P1204-Y1207 PolarHBondContact O-N 3.22Å; P1204-A1208 WeakPolarHBondContact O-CB 3.32Å; P1204-A1208 PolarHBondContact O-N 3.1Å
1205I92.7Very high90.6Very high85 Ų8533.6 Ų33.644%0.43620%0.204SC..Hα-helixtrans-65-46.3178.1-69.4172.2000110.8V1201 L1202 I1203 Y1207 A1208 S1209V1201-I1205 HydrophobicContact CG1-CD1 3.67Å; V1201-I1205 WeakPolarHBondContact O-CD1 3.33Å; V1201-I1205 VanDerWaalsContact O-CG1 3.3Å; V1201-I1205 WeakPolarHBondContact O-CG1 3.38Å; V1201-I1205 PolarHBondContact O-N 3.22Å; L1202-I1205 PolarHBondContact O-N 3.15Å; I1203-I1205 PolarHBondContact O-N 3.14Å; I1205-Y1207 VanDerWaalsContact C-N 3.3Å; I1205-Y1207 PolarHBondContact O-N 3.2Å; I1205-A1208 CarbonylContact O-C 3.52Å; I1205-A1208 WeakPolarHBondContact O-CB 3.22Å; I1205-A1208 PolarHBondContact O-N 3.21Å; I1205-A1208 VanDerWaalsContact O-N 3.12Å; I1205-S1209 WeakPolarHBondContact O-CB 3.42Å; I1205-S1209 PolarHBondContact O-N 3.12Å; I1205-S1209 PolarHBondContact O-OG 3.2Å
1206Q93.7Very high89.5Confident0 Ų034.7 Ų34.70%022%0.218CC..Hα-helixtrans-61.6-40.9175.1-74.6-17824.800112.2F1169 Y1173 L1202 I1203 A1208 S1209 C1210 Y1238 L1251 D1254F1169-Q1206 HydrophobicContact CD1-CG 4.35Å; F1169-Q1206 VanDerWaalsContact CD1-NE2 3.26Å; F1169-Q1206 HydrophobicContact CD2-CG 3.93Å; F1169-Q1206 HydrophobicContact CE1-CG 4.24Å; F1169-Q1206 HydrophobicContact CE2-CG 3.62Å; F1169-Q1206 HydrophobicContact CG-CG 4.36Å; F1169-Q1206 HydrophobicContact CZ-CG 3.79Å; Y1173-Q1206 PolarHBondContact OH-NE2 3.18Å; Y1173-Q1206 VanDerWaalsContact OH-NE2 3.1Å; L1202-Q1206 WeakPolarHBondContact O-CB 3.42Å; L1202-Q1206 WeakPolarHBondContact O-CG 3.41Å; L1202-Q1206 PolarHBondContact O-N 3.05Å; I1203-Q1206 PolarHBondContact O-N 3.07Å; Q1206-A1208 VanDerWaalsContact C-N 3.34Å; Q1206-S1209 CarbonylContact O-C 3.59Å; Q1206-S1209 WeakPolarHBondContact O-CB 3.35Å; Q1206-S1209 PolarHBondContact O-N 3.27Å; Q1206-S1209 VanDerWaalsContact O-N 3.16Å; Q1206-C1210 PolarHBondContact O-N 3.07Å; Q1206-C1210 VanDerWaalsContact O-N 3.11Å; Q1206-C1210 PolarHBondContact O-SG 3.22Å; Q1206-C1210 VanDerWaalsContact O-SG 3.37Å; Q1206-Y1238 HydrophobicContact CB-CD1 4.48Å; Q1206-Y1238 HydrophobicContact CB-CE1 4.07Å; Q1206-Y1238 HydrophobicContact CG-CD1 4.43Å; Q1206-Y1238 HydrophobicContact CG-CE1 4.39Å; Q1206-L1251 HydrophobicContact CB-CD1 4.06Å; Q1206-L1251 HydrophobicContact CB-CD2 4.46Å; Q1206-L1251 HydrophobicContact CB-CG 4.49Å; Q1206-D1254 VanDerWaalsContact CD-OD2 3.32Å; Q1206-D1254 PolarHBondContact NE2-OD2 3.18Å; Q1206-D1254 PolarHBondContact OE1-OD2 3.13Å; Q1206-D1254 VanDerWaalsContact OE1-OD2 3.12Å
1207Y93.4Very high88.6Confident4.6 Ų4.638.9 Ų38.92%0.01824%0.24CC..Hα-helixtrans-65.9-40.3176.8-174.4-95000111.7C997 V1001 S1002 N1005 I1006 L1009 I1203 P1204 I1205 S1209 C1210 V1211 L1251C997-Y1207 HydrophobicContact CB-CD2 4.43Å; C997-Y1207 HydrophobicContact CB-CE2 3.84Å; C997-Y1207 WeakPolarHBondContact O-CE2 3.45Å; V1001-Y1207 HydrophobicContact CG1-CE2 4.38Å; S1002-Y1207 PolarHBondContact N-OH 3.12Å; S1002-Y1207 WeakPolarHBondContact O-CE1 3.47Å; S1002-Y1207 PolarHBondContact O-OH 3.25Å; N1005-Y1207 HydrophobicContact CB-CE1 4.41Å; N1005-Y1207 WeakPolarHBondContact CB-OH 3.35Å; I1006-Y1207 HydrophobicContact CB-CD1 4.19Å; I1006-Y1207 HydrophobicContact CB-CE1 4.17Å; I1006-Y1207 HydrophobicContact CD1-CD1 4.18Å; I1006-Y1207 HydrophobicContact CG1-CD1 3.75Å; I1006-Y1207 HydrophobicContact CG1-CE1 3.96Å; L1009-Y1207 HydrophobicContact CD1-CD2 4.06Å; L1009-Y1207 HydrophobicContact CD1-CG 3.95Å; L1009-Y1207 HydrophobicContact CD2-CD1 3.81Å; L1009-Y1207 HydrophobicContact CD2-CD2 4.37Å; L1009-Y1207 HydrophobicContact CD2-CG 3.56Å; I1203-Y1207 WeakPolarHBondContact O-CB 3.38Å; I1203-Y1207 PolarHBondContact O-N 3.11Å; I1203-Y1207 VanDerWaalsContact O-N 3.1Å; P1204-Y1207 PolarHBondContact O-N 3.22Å; I1205-Y1207 VanDerWaalsContact C-N 3.3Å; I1205-Y1207 PolarHBondContact O-N 3.2Å; Y1207-S1209 VanDerWaalsContact C-N 3.29Å; Y1207-S1209 PolarHBondContact O-N 2.92Å; Y1207-C1210 CarbonylContact O-C 3.58Å; Y1207-C1210 WeakPolarHBondContact O-CA 3.4Å; Y1207-C1210 VanDerWaalsContact O-CB 3.3Å; Y1207-C1210 WeakPolarHBondContact O-CB 3.37Å; Y1207-C1210 PolarHBondContact O-N 3.33Å; Y1207-C1210 VanDerWaalsContact O-N 3.07Å; Y1207-V1211 HydrophobicContact CD1-CG2 3.96Å; Y1207-V1211 HydrophobicContact CE1-CG2 3.45Å; Y1207-V1211 VanDerWaalsContact CE1-CG2 3.42Å; Y1207-V1211 WeakPolarHBondContact O-CG2 3.35Å; Y1207-V1211 PolarHBondContact O-N 3.23Å; Y1207-L1251 HydrophobicContact CD2-CD2 3.88Å; Y1207-L1251 HydrophobicContact CG-CD2 4.33Å
1208A91.4Very high87.8Confident45 Ų4537.7 Ų37.737%0.37224%0.235SC..Hα-helixtrans-61-36.3171.600000112.2I1006 P1204 I1205 Q1206 C1210 V1211 G1212I1006-A1208 HydrophobicContact CD1-CB 4.18Å; P1204-A1208 WeakPolarHBondContact O-CB 3.32Å; P1204-A1208 PolarHBondContact O-N 3.1Å; I1205-A1208 CarbonylContact O-C 3.52Å; I1205-A1208 WeakPolarHBondContact O-CB 3.22Å; I1205-A1208 PolarHBondContact O-N 3.21Å; I1205-A1208 VanDerWaalsContact O-N 3.12Å; Q1206-A1208 VanDerWaalsContact C-N 3.34Å; A1208-C1210 VanDerWaalsContact C-N 3.25Å; A1208-C1210 PolarHBondContact O-N 3.12Å; A1208-V1211 PolarHBondContact O-N 3.14Å; A1208-V1211 VanDerWaalsContact O-N 3.07Å; A1208-G1212 PolarHBondContact O-N 3.22Å
1209S88.9Confident87Confident19 Ų1939.8 Ų39.813%0.13325%0.247CC..Hα-helixtrans-66.2-23.3172.3-55.10000113.4I1205 Q1206 Y1207 Y1238 P1246I1205-S1209 WeakPolarHBondContact O-CB 3.42Å; I1205-S1209 PolarHBondContact O-N 3.12Å; I1205-S1209 PolarHBondContact O-OG 3.2Å; Q1206-S1209 CarbonylContact O-C 3.59Å; Q1206-S1209 WeakPolarHBondContact O-CB 3.35Å; Q1206-S1209 PolarHBondContact O-N 3.27Å; Q1206-S1209 VanDerWaalsContact O-N 3.16Å; Y1207-S1209 VanDerWaalsContact C-N 3.29Å; Y1207-S1209 PolarHBondContact O-N 2.92Å; S1209-Y1238 WeakPolarHBondContact CB-O 3.36Å; S1209-P1246 WeakPolarHBondContact O-CD 3.44Å; S1209-P1246 VanDerWaalsContact O-CG 3.28Å; S1209-P1246 WeakPolarHBondContact O-CG 3.35Å
1210C89.2Confident86.2Confident8.4 Ų8.442.9 Ų42.96%0.05727%0.268CS..Hα-helixtrans-81.5-33.4171.1-56.10000112.6V1001 Q1206 Y1207 A1208 Y1238 A1248V1001-C1210 HydrophobicContact CG1-CB 3.84Å; Q1206-C1210 PolarHBondContact O-N 3.07Å; Q1206-C1210 VanDerWaalsContact O-N 3.11Å; Q1206-C1210 PolarHBondContact O-SG 3.22Å; Q1206-C1210 VanDerWaalsContact O-SG 3.37Å; Y1207-C1210 CarbonylContact O-C 3.58Å; Y1207-C1210 WeakPolarHBondContact O-CA 3.4Å; Y1207-C1210 VanDerWaalsContact O-CB 3.3Å; Y1207-C1210 WeakPolarHBondContact O-CB 3.37Å; Y1207-C1210 PolarHBondContact O-N 3.33Å; Y1207-C1210 VanDerWaalsContact O-N 3.07Å; A1208-C1210 VanDerWaalsContact C-N 3.25Å; A1208-C1210 PolarHBondContact O-N 3.12Å; C1210-Y1238 PolarHBondContact SG-OH 3.17Å; C1210-A1248 HydrophobicContact CB-CB 4.24Å
1211V88.9Confident85.7Confident22 Ų2243.4 Ų43.413%0.13327%0.266CS..Hα-helixtrans-76-35.4179.7168.80000112V1001 A1003 I1006 W1071 Y1207 A1208V1001-V1211 HydrophobicContact CG1-CB 4.45Å; V1001-V1211 HydrophobicContact CG1-CG2 3.7Å; A1003-V1211 HydrophobicContact CB-CG1 4.04Å; I1006-V1211 HydrophobicContact CD1-CG1 4.5Å; I1006-V1211 HydrophobicContact CG1-CG2 4.49Å; W1071-V1211 HydrophobicContact CZ2-CG1 4.2Å; W1071-V1211 PolarHBondContact NE1-O 3.24Å; Y1207-V1211 HydrophobicContact CD1-CG2 3.96Å; Y1207-V1211 HydrophobicContact CE1-CG2 3.45Å; Y1207-V1211 VanDerWaalsContact CE1-CG2 3.42Å; Y1207-V1211 WeakPolarHBondContact O-CG2 3.35Å; Y1207-V1211 PolarHBondContact O-N 3.23Å; A1208-V1211 PolarHBondContact O-N 3.14Å; A1208-V1211 VanDerWaalsContact O-N 3.07Å
1212G86.1Confident85.3Confident20.6 Ų20.645.3 Ų45.321%0.21228%0.28CS..  trans68.9-174.818000000114.2W1071 A1208 Y1221W1071-G1212 PolarHBondContact NE1-O 2.93Å; A1208-G1212 PolarHBondContact O-N 3.22Å; G1212-Y1221 WeakPolarHBondContact CA-OH 3.36Å
1213L83.1Confident84.8Confident84.2 Ų84.248.9 Ų48.944%0.44129%0.293SS..SBendtrans-73147.2174.8-69.2173.6000110.6Y1221L1213-Y1221 HydrophobicContact CB-CE1 4.46Å; L1213-Y1221 HydrophobicContact CD1-CD1 4.11Å; L1213-Y1221 HydrophobicContact CD1-CE1 3.59Å; L1213-Y1221 HydrophobicContact CG-CE1 3.82Å; L1213-Y1221 PolarHBondContact N-OH 3.26Å
1214P83Confident84Confident39.6 Ų39.653.3 Ų53.326%0.25731%0.31SS..  trans-63.7124175.824.5-31.9000110.2W1071 G1216 L1217W1071-P1214 HydrophobicContact CD2-CB 3.76Å; W1071-P1214 HydrophobicContact CE3-CB 4Å; W1071-P1214 HydrophobicContact CG-CB 4.19Å; W1071-P1214 HydrophobicContact CH2-CB 4.39Å; W1071-P1214 HydrophobicContact CZ2-CB 4.15Å; W1071-P1214 HydrophobicContact CZ2-CG 4.31Å; W1071-P1214 HydrophobicContact CZ3-CB 4.31Å; P1214-G1216 VanDerWaalsContact C-N 3.25Å; P1214-G1216 PolarHBondContact O-N 3.13Å; P1214-G1216 VanDerWaalsContact O-N 3.16Å; P1214-L1217 HydrophobicContact CG-CD1 3.74Å; P1214-L1217 HydrophobicContact CG-CG 4.04Å; P1214-L1217 PolarHBondContact O-N 3.12Å; P1214-L1217 VanDerWaalsContact O-N 3.15Å
1215P73.2Confident83Confident40.4 Ų40.455 Ų5526%0.26232%0.319SS..G310 helixtrans-65.9-25.8-168.425.3-34.5000113.2C1057 L1066 W1071 L1217 C1218C1057-P1215 PolarHBondContact SG-O 3.1Å; L1066-P1215 HydrophobicContact CB-CB 4.26Å; L1066-P1215 HydrophobicContact CD2-CB 4.08Å; L1066-P1215 HydrophobicContact CG-CB 4.5Å; W1071-P1215 HydrophobicContact CB-CG 4.37Å; P1215-L1217 PolarHBondContact O-N 3.19Å; P1215-L1217 VanDerWaalsContact O-N 3.12Å; P1215-C1218 PolarHBondContact O-N 3.04Å
1216G71.2Confident82.1Confident31.8 Ų31.858 Ų5833%0.32833%0.331SS..G310 helixtrans-67.4-3.9176.700000115.6S1055 P1214 C1218S1055-G1216 WeakPolarHBondContact OG-CA 3.37Å; P1214-G1216 VanDerWaalsContact C-N 3.25Å; P1214-G1216 PolarHBondContact O-N 3.13Å; P1214-G1216 VanDerWaalsContact O-N 3.16Å; G1216-C1218 VanDerWaalsContact C-N 3.31Å
1217L76.2Confident81.4Confident102 Ų10260.2 Ų60.253%0.53435%0.347SS..G310 helixtrans-79.1-14.6166-68.3178.8000112.9P1214 P1215 L1219P1214-L1217 HydrophobicContact CG-CD1 3.74Å; P1214-L1217 HydrophobicContact CG-CG 4.04Å; P1214-L1217 PolarHBondContact O-N 3.12Å; P1214-L1217 VanDerWaalsContact O-N 3.15Å; P1215-L1217 PolarHBondContact O-N 3.19Å; P1215-L1217 VanDerWaalsContact O-N 3.12Å; L1217-L1219 HydrophobicContact CB-CD1 4.28Å; L1217-L1219 HydrophobicContact CB-CG 4.19Å; L1217-L1219 HydrophobicContact CD1-CD1 4.41Å; L1217-L1219 PolarHBondContact O-N 3.19Å
1218C76.3Confident80.7Confident60.6 Ų60.664.7 Ų64.741%0.40937%0.37SS..  trans53.412.9-173.9-54.70000115.9C1057 P1215 G1216C1057-C1218 VanDerWaalsContact CA-SG 3.53Å; C1057-C1218 WeakPolarHBondContact CA-SG 3.42Å; C1057-C1218 HydrophobicContact CB-CB 3.74Å; C1057-C1218 WeakPolarHBondContact CB-SG 3.46Å; C1057-C1218 WeakPolarHBondContact SG-CA 3.38Å; C1057-C1218 WeakPolarHBondContact SG-CB 3.43Å; C1057-C1218 CovalentContact SG-SG 2.04Å; C1057-C1218 PolarHBondContact SG-SG 3.33Å; P1215-C1218 PolarHBondContact O-N 3.04Å; G1216-C1218 VanDerWaalsContact C-N 3.31Å
1219L78.5Confident80.1Confident117 Ų11765.8 Ų65.861%0.61337%0.368SS*.PPolyproline II helixtrans-78122.5176.5-65.6174.7000110.5L1217L1217-L1219 HydrophobicContact CB-CD1 4.28Å; L1217-L1219 HydrophobicContact CB-CG 4.19Å; L1217-L1219 HydrophobicContact CD1-CD1 4.41Å; L1217-L1219 PolarHBondContact O-N 3.19Å
1220S77.7Confident79.8Confident67.4 Ų67.467.9 Ų67.947%0.47138%0.377SS..PPolyproline II helixtrans-80.5154.2168-54.40000110.4
1221Y82.8Confident79.3Confident29.8 Ų29.868.5 Ų68.512%0.11738%0.38CS..PPolyproline II helixtrans-68.9143.4179.6-72.2-78.2000112.4G1212 L1213 W1223 Y1224 P1240 D1242G1212-Y1221 WeakPolarHBondContact CA-OH 3.36Å; L1213-Y1221 HydrophobicContact CB-CE1 4.46Å; L1213-Y1221 HydrophobicContact CD1-CD1 4.11Å; L1213-Y1221 HydrophobicContact CD1-CE1 3.59Å; L1213-Y1221 HydrophobicContact CG-CE1 3.82Å; L1213-Y1221 PolarHBondContact N-OH 3.26Å; Y1221-W1223 VanDerWaalsContact CB-NE1 3.32Å; Y1221-W1223 AromaticContact CD1-CE2 3.75Å; Y1221-W1223 AromaticContact CD1-CH2 3.93Å; Y1221-W1223 HydrophobicContact CD1-CH2 4.02Å; Y1221-W1223 AromaticContact CD1-CZ2 3.34Å; Y1221-W1223 HydrophobicContact CD1-CZ2 3.34Å; Y1221-W1223 AromaticContact CD1-NE1 3.98Å; Y1221-W1223 HydrophobicContact CE1-CH2 4.44Å; Y1221-W1223 AromaticContact CE1-CZ2 3.86Å; Y1221-W1223 HydrophobicContact CE1-CZ2 3.94Å; Y1221-W1223 AromaticContact CG-CE2 3.94Å; Y1221-W1223 AromaticContact CG-CZ2 3.97Å; Y1221-W1223 HydrophobicContact CG-CZ2 4.02Å; Y1221-W1223 AromaticContact CG-NE1 3.77Å; Y1221-W1223 PolarHBondContact O-N 3.16Å; Y1221-W1223 VanDerWaalsContact O-N 3.1Å; Y1221-Y1224 VanDerWaalsContact O-CB 3.25Å; Y1221-Y1224 WeakPolarHBondContact O-CB 3.38Å; Y1221-Y1224 PolarHBondContact O-N 3.07Å; Y1221-Y1224 VanDerWaalsContact O-N 3.09Å; Y1221-P1240 HydrophobicContact CD1-CG 4.44Å; Y1221-P1240 HydrophobicContact CE1-CB 4.24Å; Y1221-P1240 HydrophobicContact CE1-CG 3.68Å; Y1221-P1240 HydrophobicContact CE2-CB 4.09Å; Y1221-P1240 HydrophobicContact CE2-CG 4.33Å; Y1221-P1240 WeakPolarHBondContact OH-CB 3.36Å; Y1221-P1240 WeakPolarHBondContact OH-CG 3.33Å; Y1221-D1242 WeakPolarHBondContact CD2-OD1 3.33Å; Y1221-D1242 WeakPolarHBondContact CD2-OD2 3.47Å
1222P84.7Confident78.9Confident122.6 Ų122.668.5 Ų68.580%0.79638%0.379SS*.THydrogen-bonded Turntrans-69-8.3-177.919.9-23.3000114.1
1223W84Confident79Confident98.8 Ų98.870.1 Ų70.137%0.37438%0.382SS..THydrogen-bonded Turntrans-106.316.3174.351.172.1000112.8Y1221 T1225 L1234 P1240Y1221-W1223 VanDerWaalsContact CB-NE1 3.32Å; Y1221-W1223 AromaticContact CD1-CE2 3.75Å; Y1221-W1223 AromaticContact CD1-CH2 3.93Å; Y1221-W1223 HydrophobicContact CD1-CH2 4.02Å; Y1221-W1223 AromaticContact CD1-CZ2 3.34Å; Y1221-W1223 HydrophobicContact CD1-CZ2 3.34Å; Y1221-W1223 AromaticContact CD1-NE1 3.98Å; Y1221-W1223 HydrophobicContact CE1-CH2 4.44Å; Y1221-W1223 AromaticContact CE1-CZ2 3.86Å; Y1221-W1223 HydrophobicContact CE1-CZ2 3.94Å; Y1221-W1223 AromaticContact CG-CE2 3.94Å; Y1221-W1223 AromaticContact CG-CZ2 3.97Å; Y1221-W1223 HydrophobicContact CG-CZ2 4.02Å; Y1221-W1223 AromaticContact CG-NE1 3.77Å; Y1221-W1223 PolarHBondContact O-N 3.16Å; Y1221-W1223 VanDerWaalsContact O-N 3.1Å; W1223-T1225 PolarHBondContact O-N 3.17Å; W1223-L1234 VanDerWaalsContact CD1-CD1 3.46Å; W1223-L1234 HydrophobicContact CG-CD1 4.09Å; W1223-L1234 HydrophobicContact CG-CD2 4.2Å; W1223-P1240 HydrophobicContact CZ2-CG 4.34Å; W1223-P1240 PolarHBondContact NE1-O 2.92Å; W1223-P1240 VanDerWaalsContact NE1-O 3.12Å
1224Y75.1Confident79Confident97 Ų9766.8 Ų66.838%0.3837%0.365SS..  trans-62.3128172.5178.1-90.2000110.5Y1221 E1226 D1242 F1243Y1221-Y1224 VanDerWaalsContact O-CB 3.25Å; Y1221-Y1224 WeakPolarHBondContact O-CB 3.38Å; Y1221-Y1224 PolarHBondContact O-N 3.07Å; Y1221-Y1224 VanDerWaalsContact O-N 3.09Å; Y1224-E1226 HydrophobicContact CE1-CG 4.35Å; Y1224-D1242 HydrophobicContact CD2-CB 4.18Å; Y1224-D1242 HydrophobicContact CE2-CB 4.27Å; Y1224-F1243 AromaticContact CD2-CE2 3.99Å; Y1224-F1243 HydrophobicContact CD2-CE2 4.07Å; Y1224-F1243 HydrophobicContact CE2-CD2 4.38Å; Y1224-F1243 AromaticContact CE2-CE2 3.48Å; Y1224-F1243 HydrophobicContact CE2-CE2 3.48Å; Y1224-F1243 VanDerWaalsContact CE2-CE2 3.45Å; Y1224-F1243 AromaticContact CE2-CZ 3.62Å; Y1224-F1243 HydrophobicContact CE2-CZ 3.62Å; Y1224-F1243 AromaticContact CZ-CZ 3.85Å; Y1224-F1243 WeakPolarHBondContact OH-CZ 3.29Å
1225T73.4Confident79Confident59.2 Ų59.267.3 Ų67.336%0.36336%0.364SS..  trans-154.6147.1173.4-52.70000109.4W1223 S1227 I1230 N1231W1223-T1225 PolarHBondContact O-N 3.17Å; T1225-S1227 VanDerWaalsContact C-N 3.28Å; T1225-S1227 PolarHBondContact O-N 3.3Å; T1225-I1230 HydrophobicContact CG2-CD1 4Å; T1225-N1231 PolarHBondContact O-ND2 3.42Å
1226E72.8Confident79.6Confident147.4 Ų147.466.8 Ų66.869%0.68936%0.357SS*.SBendtrans-77.1-6.4-176.1-58.6-176.7159.400113.8Y1224 I1228Y1224-E1226 HydrophobicContact CE1-CG 4.35Å; E1226-I1228 PolarHBondContact O-N 3.08Å
1227S80.1Confident80.5Confident46.6 Ų46.669 Ų6933%0.32636%0.36SS..  trans-77.7128.2-176.6620000112.5T1225 E1229 I1230 N1231T1225-S1227 VanDerWaalsContact C-N 3.28Å; T1225-S1227 PolarHBondContact O-N 3.3Å; S1227-E1229 PolarHBondContact O-N 3.1Å; S1227-I1230 PolarHBondContact O-N 3.25Å; S1227-I1230 VanDerWaalsContact O-N 3.08Å; S1227-I1230 WeakPolarHBondContact OG-CB 3.37Å; S1227-I1230 WeakPolarHBondContact OG-CD1 3.42Å; S1227-I1230 VanDerWaalsContact OG-CG1 3.31Å; S1227-I1230 WeakPolarHBondContact OG-CG1 3.34Å; S1227-N1231 PolarHBondContact O-N 3.19Å; S1227-N1231 VanDerWaalsContact O-N 3.12Å; S1227-N1231 PolarHBondContact O-ND2 2.89Å
1228I77.7Confident81.1Confident98.4 Ų98.464.2 Ų64.251%0.50534%0.335SS..Hα-helixtrans-55.7-38179.3-60.6170.9000111.4E1226 I1230 N1231 N1232 F1419E1226-I1228 PolarHBondContact O-N 3.08Å; I1228-I1230 PolarHBondContact O-N 3.22Å; I1228-N1231 PolarHBondContact O-N 3.24Å; I1228-N1232 VanDerWaalsContact O-CB 3.27Å; I1228-N1232 WeakPolarHBondContact O-CB 3.35Å; I1228-N1232 VanDerWaalsContact O-CG 3.27Å; I1228-N1232 PolarHBondContact O-N 2.95Å; I1228-N1232 PolarHBondContact O-ND2 3.25Å; I1228-N1232 PolarHBondContact O-OD1 3.04Å; I1228-F1419 HydrophobicContact CB-CE2 4.4Å; I1228-F1419 HydrophobicContact CB-CZ 4.34Å; I1228-F1419 HydrophobicContact CD1-CD1 3.75Å; I1228-F1419 HydrophobicContact CD1-CE1 3.56Å; I1228-F1419 HydrophobicContact CD1-CG 4.37Å; I1228-F1419 HydrophobicContact CD1-CZ 4.06Å; I1228-F1419 HydrophobicContact CG1-CD1 4.38Å; I1228-F1419 HydrophobicContact CG1-CE1 3.98Å; I1228-F1419 HydrophobicContact CG1-CE2 4.19Å; I1228-F1419 HydrophobicContact CG1-CZ 3.66Å; I1228-F1419 HydrophobicContact CG2-CD2 4.09Å; I1228-F1419 HydrophobicContact CG2-CE1 4.49Å; I1228-F1419 HydrophobicContact CG2-CE2 3.74Å; I1228-F1419 HydrophobicContact CG2-CG 4.21Å; I1228-F1419 HydrophobicContact CG2-CZ 4.12Å
1229E79.5Confident81.6Confident69.2 Ų69.263.9 Ų63.932%0.32333%0.329SS..Hα-helixtrans-63.5-38.4178.8-61.5-172.5-171.900112.8S1227 N1232 L1233 V1391 S1394S1227-E1229 PolarHBondContact O-N 3.1Å; E1229-N1232 PolarHBondContact O-N 3.17Å; E1229-L1233 WeakPolarHBondContact O-CB 3.33Å; E1229-L1233 PolarHBondContact O-N 3.23Å; E1229-V1391 VanDerWaalsContact O-CG1 3.29Å; E1229-V1391 WeakPolarHBondContact O-CG1 3.36Å; E1229-S1394 VanDerWaalsContact CD-OG 3.27Å; E1229-S1394 WeakPolarHBondContact OE1-CB 3.34Å; E1229-S1394 PolarHBondContact OE1-OG 3.24Å
1230I83Confident81.9Confident62.8 Ų62.859 Ų5932%0.32231%0.305SS..Hα-helixtrans-72.8-40.8177.1-68.5179.3000110.6T1225 S1227 I1228 N1232 L1233 L1234T1225-I1230 HydrophobicContact CG2-CD1 4Å; S1227-I1230 PolarHBondContact O-N 3.25Å; S1227-I1230 VanDerWaalsContact O-N 3.08Å; S1227-I1230 WeakPolarHBondContact OG-CB 3.37Å; S1227-I1230 WeakPolarHBondContact OG-CD1 3.42Å; S1227-I1230 VanDerWaalsContact OG-CG1 3.31Å; S1227-I1230 WeakPolarHBondContact OG-CG1 3.34Å; I1228-I1230 PolarHBondContact O-N 3.22Å; I1230-N1232 VanDerWaalsContact C-N 3.29Å; I1230-N1232 PolarHBondContact O-N 3.12Å; I1230-L1233 WeakPolarHBondContact O-CB 3.26Å; I1230-L1233 PolarHBondContact O-N 3.17Å; I1230-L1233 VanDerWaalsContact O-N 3.12Å; I1230-L1234 HydrophobicContact CG2-CD1 3.62Å; I1230-L1234 VanDerWaalsContact O-CB 3.29Å; I1230-L1234 WeakPolarHBondContact O-CB 3.37Å; I1230-L1234 WeakPolarHBondContact O-CD1 3.42Å; I1230-L1234 PolarHBondContact O-N 3.16Å
1231N78.6Confident81.9Confident21.2 Ų21.257 Ų5711%0.11329%0.291CS..Hα-helixtrans-61.4-40.4174.8-71.9-41.8000111.8T1225 S1227 I1228 L1233 L1234 Q1235 F1243T1225-N1231 PolarHBondContact O-ND2 3.42Å; S1227-N1231 PolarHBondContact O-N 3.19Å; S1227-N1231 VanDerWaalsContact O-N 3.12Å; S1227-N1231 PolarHBondContact O-ND2 2.89Å; I1228-N1231 PolarHBondContact O-N 3.24Å; N1231-L1233 PolarHBondContact O-N 3.29Å; N1231-L1234 PolarHBondContact O-N 3.07Å; N1231-Q1235 WeakPolarHBondContact O-CB 3.31Å; N1231-Q1235 WeakPolarHBondContact O-CG 3.46Å; N1231-Q1235 PolarHBondContact O-N 3.08Å; N1231-Q1235 VanDerWaalsContact O-N 3.11Å; N1231-F1243 VanDerWaalsContact ND2-CD2 3.33Å; N1231-F1243 WeakPolarHBondContact ND2-CD2 3.41Å; N1231-F1243 WeakPolarHBondContact ND2-CE2 3.36Å; N1231-F1243 VanDerWaalsContact OD1-CD2 3.25Å; N1231-F1243 WeakPolarHBondContact OD1-CD2 3.48Å
1232N80.3Confident81.2Confident22.8 Ų22.858.4 Ų58.412%0.12230%0.3CS..Hα-helixtrans-64.9-41.4173.4-71.2-8.7000112.3I1228 E1229 I1230 L1234 Q1235 W1236 C1390 V1391 W1416I1228-N1232 VanDerWaalsContact O-CB 3.27Å; I1228-N1232 WeakPolarHBondContact O-CB 3.35Å; I1228-N1232 VanDerWaalsContact O-CG 3.27Å; I1228-N1232 PolarHBondContact O-N 2.95Å; I1228-N1232 PolarHBondContact O-ND2 3.25Å; I1228-N1232 PolarHBondContact O-OD1 3.04Å; E1229-N1232 PolarHBondContact O-N 3.17Å; I1230-N1232 VanDerWaalsContact C-N 3.29Å; I1230-N1232 PolarHBondContact O-N 3.12Å; N1232-L1234 VanDerWaalsContact C-N 3.31Å; N1232-L1234 PolarHBondContact O-N 3.33Å; N1232-Q1235 PolarHBondContact O-N 3.21Å; N1232-W1236 PolarHBondContact O-N 3.22Å; N1232-C1390 PolarHBondContact ND2-O 3.23Å; N1232-V1391 HydrophobicContact CB-CB 4.4Å; N1232-V1391 HydrophobicContact CB-CG1 4.19Å; N1232-V1391 HydrophobicContact CB-CG2 4.37Å; N1232-W1416 HydrophobicContact CB-CE3 4.32Å; N1232-W1416 HydrophobicContact CB-CZ3 3.78Å; N1232-W1416 WeakPolarHBondContact O-CZ3 3.16Å
1233L86.8Confident80.4Confident54 Ų5457 Ų5728%0.28328%0.282SS..Hα-helixtrans-61.4-42.9176.4-178.260.8000111.5E1229 I1230 N1231 Q1235 W1236 L1237 L1387 V1391E1229-L1233 WeakPolarHBondContact O-CB 3.33Å; E1229-L1233 PolarHBondContact O-N 3.23Å; I1230-L1233 WeakPolarHBondContact O-CB 3.26Å; I1230-L1233 PolarHBondContact O-N 3.17Å; I1230-L1233 VanDerWaalsContact O-N 3.12Å; N1231-L1233 PolarHBondContact O-N 3.29Å; L1233-Q1235 VanDerWaalsContact C-N 3.32Å; L1233-Q1235 PolarHBondContact O-N 2.93Å; L1233-W1236 PolarHBondContact O-N 3.21Å; L1233-L1237 VanDerWaalsContact O-CB 3.3Å; L1233-L1237 WeakPolarHBondContact O-CB 3.42Å; L1233-L1237 PolarHBondContact O-N 3.02Å; L1233-L1387 HydrophobicContact CD1-CD1 3.69Å; L1233-V1391 HydrophobicContact CB-CG1 3.77Å; L1233-V1391 HydrophobicContact CB-CG2 4.5Å; L1233-V1391 HydrophobicContact CD1-CG1 4.35Å; L1233-V1391 HydrophobicContact CD1-CG2 4.48Å
1234L85.2Confident79.7Confident13.6 Ų13.653.9 Ų53.97%0.07128%0.28CS..Hα-helixtrans-64.5-39.5179.8-15171.3000111.8W1223 I1230 N1231 N1232 W1236 L1237 Y1238 L1239W1223-L1234 VanDerWaalsContact CD1-CD1 3.46Å; W1223-L1234 HydrophobicContact CG-CD1 4.09Å; W1223-L1234 HydrophobicContact CG-CD2 4.2Å; I1230-L1234 HydrophobicContact CG2-CD1 3.62Å; I1230-L1234 VanDerWaalsContact O-CB 3.29Å; I1230-L1234 WeakPolarHBondContact O-CB 3.37Å; I1230-L1234 WeakPolarHBondContact O-CD1 3.42Å; I1230-L1234 PolarHBondContact O-N 3.16Å; N1231-L1234 PolarHBondContact O-N 3.07Å; N1232-L1234 VanDerWaalsContact C-N 3.31Å; N1232-L1234 PolarHBondContact O-N 3.33Å; L1234-W1236 VanDerWaalsContact C-N 3.35Å; L1234-L1237 CarbonylContact O-C 3.54Å; L1234-L1237 PolarHBondContact O-N 3.24Å; L1234-Y1238 PolarHBondContact O-N 3.13Å; L1234-Y1238 VanDerWaalsContact O-N 3.09Å; L1234-L1239 HydrophobicContact CD1-CB 3.5Å; L1234-L1239 VanDerWaalsContact CD1-CB 3.48Å; L1234-L1239 HydrophobicContact CD1-CD1 3.76Å; L1234-L1239 HydrophobicContact CD1-CG 4.27Å; L1234-L1239 HydrophobicContact CD2-CB 4.11Å; L1234-L1239 HydrophobicContact CG-CB 4.07Å; L1234-L1239 PolarHBondContact O-N 2.97Å; L1234-L1239 VanDerWaalsContact O-N 3.1Å
1235Q81.6Confident79.6Confident50.2 Ų50.252.5 Ų52.524%0.23529%0.288CS..Hα-helixtrans-68.3-38.1174.5-153.61762600112.5N1231 N1232 L1233 L1237 Y1238 S1415 W1416 N1417N1231-Q1235 WeakPolarHBondContact O-CB 3.31Å; N1231-Q1235 WeakPolarHBondContact O-CG 3.46Å; N1231-Q1235 PolarHBondContact O-N 3.08Å; N1231-Q1235 VanDerWaalsContact O-N 3.11Å; N1232-Q1235 PolarHBondContact O-N 3.21Å; L1233-Q1235 VanDerWaalsContact C-N 3.32Å; L1233-Q1235 PolarHBondContact O-N 2.93Å; Q1235-L1237 VanDerWaalsContact C-N 3.34Å; Q1235-Y1238 PolarHBondContact O-N 3.2Å; Q1235-S1415 PolarHBondContact NE2-O 3.11Å; Q1235-S1415 PolarHBondContact NE2-OG 3.14Å; Q1235-S1415 PolarHBondContact OE1-O 3.14Å; Q1235-W1416 HydrophobicContact CB-CE3 4.33Å; Q1235-W1416 HydrophobicContact CB-CH2 4.4Å; Q1235-W1416 HydrophobicContact CB-CZ3 4.17Å; Q1235-W1416 VanDerWaalsContact CD-CE3 3.48Å; Q1235-W1416 HydrophobicContact CG-CD2 4.39Å; Q1235-W1416 HydrophobicContact CG-CE3 3.84Å; Q1235-W1416 HydrophobicContact CG-CH2 4.3Å; Q1235-W1416 HydrophobicContact CG-CZ3 4.16Å; Q1235-W1416 VanDerWaalsContact OE1-CZ3 3.32Å; Q1235-N1417 PolarHBondContact NE2-O 2.91Å
1236W87.2Confident80Confident31.2 Ų31.250.2 Ų50.212%0.11828%0.275CS..Hα-helixtrans-69.8-33.5173-177.786.2000112.9D1167 A1168 V1171 N1232 L1233 L1234 Y1238 L1387 V1391 W1416D1167-W1236 WeakPolarHBondContact CB-O 3.43Å; A1168-W1236 HydrophobicContact CB-CD2 4.5Å; A1168-W1236 HydrophobicContact CB-CE3 4Å; A1168-W1236 HydrophobicContact CB-CH2 3.95Å; A1168-W1236 HydrophobicContact CB-CZ2 4.45Å; A1168-W1236 HydrophobicContact CB-CZ3 3.7Å; A1168-W1236 WeakPolarHBondContact CB-O 3.4Å; A1168-W1236 PolarHBondContact N-O 3.1Å; V1171-W1236 HydrophobicContact CG2-CZ2 4.2Å; N1232-W1236 PolarHBondContact O-N 3.22Å; L1233-W1236 PolarHBondContact O-N 3.21Å; L1234-W1236 VanDerWaalsContact C-N 3.35Å; W1236-Y1238 PolarHBondContact O-N 3.32Å; W1236-L1387 HydrophobicContact CD2-CB 4.33Å; W1236-L1387 HydrophobicContact CD2-CD1 3.91Å; W1236-L1387 HydrophobicContact CE3-CD1 3.75Å; W1236-L1387 HydrophobicContact CG-CD1 4.38Å; W1236-L1387 HydrophobicContact CH2-CB 4.33Å; W1236-L1387 HydrophobicContact CH2-CD1 4.45Å; W1236-L1387 HydrophobicContact CH2-CD2 4.27Å; W1236-L1387 HydrophobicContact CZ2-CB 3.94Å; W1236-L1387 HydrophobicContact CZ3-CD1 4.05Å; W1236-L1387 HydrophobicContact CZ3-CD2 4.35Å; W1236-V1391 HydrophobicContact CB-CG2 3.95Å; W1236-V1391 HydrophobicContact CG-CG2 4.42Å; W1236-W1416 HydrophobicContact CB-CH2 4.12Å
1237L89Confident80.6Confident76.6 Ų76.644.4 Ų44.440%0.40125%0.25SS..THydrogen-bonded Turntrans-78.8-5.4174.4-167.851.7000112.9A1168 L1233 L1234 Q1235 L1239A1168-L1237 HydrophobicContact CB-CD1 3.7Å; L1233-L1237 VanDerWaalsContact O-CB 3.3Å; L1233-L1237 WeakPolarHBondContact O-CB 3.42Å; L1233-L1237 PolarHBondContact O-N 3.02Å; L1234-L1237 CarbonylContact O-C 3.54Å; L1234-L1237 PolarHBondContact O-N 3.24Å; Q1235-L1237 VanDerWaalsContact C-N 3.34Å; L1237-L1239 VanDerWaalsContact C-N 3.3Å; L1237-L1239 HydrophobicContact CB-CD1 4.39Å; L1237-L1239 HydrophobicContact CB-CG 4.38Å; L1237-L1239 HydrophobicContact CD2-CD1 3.69Å; L1237-L1239 HydrophobicContact CD2-CG 4.37Å; L1237-L1239 HydrophobicContact CG-CD1 3.94Å; L1237-L1239 HydrophobicContact CG-CG 4.1Å; L1237-L1239 PolarHBondContact O-N 3.25Å
1238Y88.6Confident80.9Confident2.4 Ų2.442.8 Ų42.81%0.00924%0.24CC..THydrogen-bonded Turntrans58.536.5178.8-157.5-92000113.1R1165 F1169 Q1206 S1209 C1210 L1234 Q1235 W1236 P1246 S1247 K1250 L1251R1165-Y1238 VanDerWaalsContact NH2-CE2 3.33Å; R1165-Y1238 VanDerWaalsContact NH2-CG 3.31Å; F1169-Y1238 HydrophobicContact CD2-CD1 4.23Å; F1169-Y1238 HydrophobicContact CD2-CG 4.21Å; F1169-Y1238 AromaticContact CE2-CD1 3.94Å; F1169-Y1238 HydrophobicContact CE2-CD1 3.97Å; F1169-Y1238 HydrophobicContact CE2-CG 4.24Å; Q1206-Y1238 HydrophobicContact CB-CD1 4.48Å; Q1206-Y1238 HydrophobicContact CB-CE1 4.07Å; Q1206-Y1238 HydrophobicContact CG-CD1 4.43Å; Q1206-Y1238 HydrophobicContact CG-CE1 4.39Å; S1209-Y1238 WeakPolarHBondContact CB-O 3.36Å; C1210-Y1238 PolarHBondContact SG-OH 3.17Å; L1234-Y1238 PolarHBondContact O-N 3.13Å; L1234-Y1238 VanDerWaalsContact O-N 3.09Å; Q1235-Y1238 PolarHBondContact O-N 3.2Å; W1236-Y1238 PolarHBondContact O-N 3.32Å; Y1238-P1246 HydrophobicContact CD1-CB 4.11Å; Y1238-P1246 HydrophobicContact CD1-CG 4.28Å; Y1238-P1246 HydrophobicContact CD2-CB 3.73Å; Y1238-P1246 HydrophobicContact CE1-CB 4.07Å; Y1238-P1246 HydrophobicContact CE1-CG 4.18Å; Y1238-P1246 HydrophobicContact CE2-CB 3.69Å; Y1238-P1246 HydrophobicContact CG-CB 3.93Å; Y1238-P1246 HydrophobicContact CG-CG 4.48Å; Y1238-S1247 PolarHBondContact OH-O 2.97Å; Y1238-K1250 HydrophobicContact CD2-CD 4.35Å; Y1238-K1250 HydrophobicContact CE2-CB 4.44Å; Y1238-K1250 HydrophobicContact CE2-CD 4Å; Y1238-K1250 HydrophobicContact CE2-CG 4.46Å; Y1238-L1251 HydrophobicContact CE1-CD1 4.24Å; Y1238-L1251 WeakPolarHBondContact OH-CD1 3.36Å
1239L87.2Confident81.4Confident53.4 Ų53.443.9 Ų43.928%0.2824%0.239SC..  trans-93.2154.7174.6-74.4175000111.4L1234 L1237L1234-L1239 HydrophobicContact CD1-CB 3.5Å; L1234-L1239 VanDerWaalsContact CD1-CB 3.48Å; L1234-L1239 HydrophobicContact CD1-CD1 3.76Å; L1234-L1239 HydrophobicContact CD1-CG 4.27Å; L1234-L1239 HydrophobicContact CD2-CB 4.11Å; L1234-L1239 HydrophobicContact CG-CB 4.07Å; L1234-L1239 PolarHBondContact O-N 2.97Å; L1234-L1239 VanDerWaalsContact O-N 3.1Å; L1237-L1239 VanDerWaalsContact C-N 3.3Å; L1237-L1239 HydrophobicContact CB-CD1 4.39Å; L1237-L1239 HydrophobicContact CB-CG 4.38Å; L1237-L1239 HydrophobicContact CD2-CD1 3.69Å; L1237-L1239 HydrophobicContact CD2-CG 4.37Å; L1237-L1239 HydrophobicContact CG-CD1 3.94Å; L1237-L1239 HydrophobicContact CG-CG 4.1Å; L1237-L1239 PolarHBondContact O-N 3.25Å
1240P84.8Confident81.9Confident15.2 Ų15.241.3 Ų41.310%0.09923%0.226CC..  trans-70146.3173.629.7-34.7000111.8Y1221 W1223Y1221-P1240 HydrophobicContact CD1-CG 4.44Å; Y1221-P1240 HydrophobicContact CE1-CB 4.24Å; Y1221-P1240 HydrophobicContact CE1-CG 3.68Å; Y1221-P1240 HydrophobicContact CE2-CB 4.09Å; Y1221-P1240 HydrophobicContact CE2-CG 4.33Å; Y1221-P1240 WeakPolarHBondContact OH-CB 3.36Å; Y1221-P1240 WeakPolarHBondContact OH-CG 3.33Å; W1223-P1240 HydrophobicContact CZ2-CG 4.34Å; W1223-P1240 PolarHBondContact NE1-O 2.92Å; W1223-P1240 VanDerWaalsContact NE1-O 3.12Å
1241S76.6Confident82.3Confident25.2 Ų25.238.5 Ų38.518%0.17621%0.212CC..  trans-141.6155177.5860000111.4F1243 G1244S1241-F1243 VanDerWaalsContact C-N 3.26Å; S1241-F1243 PolarHBondContact O-N 3.11Å; S1241-F1243 PolarHBondContact OG-N 3.15Å; S1241-G1244 CarbonylContact O-C 3.59Å; S1241-G1244 PolarHBondContact O-N 2.94Å; S1241-G1244 PolarHBondContact OG-N 3.15Å; S1241-G1244 VanDerWaalsContact OG-N 3.16Å; S1241-G1244 PolarHBondContact OG-O 3.27Å
1242D69.4Low82.9Confident57.6 Ų57.640 Ų4031%0.30822%0.222SC..THydrogen-bonded Turntrans-67.9-23.1173.2-72.4-74.8000113.5K1059 Y1221 Y1224K1059-D1242 IonicContact NZ-OD1 2.72Å; K1059-D1242 PolarHBondContact NZ-OD1 3.1Å; K1059-D1242 IonicContact NZ-OD2 3.21Å; K1059-D1242 PolarHBondContact NZ-OD2 2.91Å; Y1221-D1242 WeakPolarHBondContact CD2-OD1 3.33Å; Y1221-D1242 WeakPolarHBondContact CD2-OD2 3.47Å; Y1224-D1242 HydrophobicContact CD2-CB 4.18Å; Y1224-D1242 HydrophobicContact CE2-CB 4.27Å
1243F66.7Low83.4Confident94.8 Ų94.839.6 Ų39.642%0.41622%0.222SC..THydrogen-bonded Turntrans-86.3-16.2-179.9-63.3-76.4000113.6Y1224 N1231 S1241Y1224-F1243 AromaticContact CD2-CE2 3.99Å; Y1224-F1243 HydrophobicContact CD2-CE2 4.07Å; Y1224-F1243 HydrophobicContact CE2-CD2 4.38Å; Y1224-F1243 AromaticContact CE2-CE2 3.48Å; Y1224-F1243 HydrophobicContact CE2-CE2 3.48Å; Y1224-F1243 VanDerWaalsContact CE2-CE2 3.45Å; Y1224-F1243 AromaticContact CE2-CZ 3.62Å; Y1224-F1243 HydrophobicContact CE2-CZ 3.62Å; Y1224-F1243 AromaticContact CZ-CZ 3.85Å; Y1224-F1243 WeakPolarHBondContact OH-CZ 3.29Å; N1231-F1243 VanDerWaalsContact ND2-CD2 3.33Å; N1231-F1243 WeakPolarHBondContact ND2-CD2 3.41Å; N1231-F1243 WeakPolarHBondContact ND2-CE2 3.36Å; N1231-F1243 VanDerWaalsContact OD1-CD2 3.25Å; N1231-F1243 WeakPolarHBondContact OD1-CD2 3.48Å; S1241-F1243 VanDerWaalsContact C-N 3.26Å; S1241-F1243 PolarHBondContact O-N 3.11Å; S1241-F1243 PolarHBondContact OG-N 3.15Å
1244G69.5Low83.7Confident34 Ų3437.1 Ų37.135%0.35121%0.209SC..  trans172.1137.5179.800000113.3S1241S1241-G1244 CarbonylContact O-C 3.59Å; S1241-G1244 PolarHBondContact O-N 2.94Å; S1241-G1244 PolarHBondContact OG-N 3.15Å; S1241-G1244 VanDerWaalsContact OG-N 3.16Å; S1241-G1244 PolarHBondContact OG-O 3.27Å
1245A74.1Confident84.1Confident66 Ų6637.5 Ų37.555%0.54521%0.21SC..  trans-78.6146.8173.100000111.4
1246P81.3Confident84.7Confident11.6 Ų11.640.5 Ų40.58%0.07522%0.223CC..  trans-65.7147.3176.627-33.9000112S1209 Y1238 A1248S1209-P1246 WeakPolarHBondContact O-CD 3.44Å; S1209-P1246 VanDerWaalsContact O-CG 3.28Å; S1209-P1246 WeakPolarHBondContact O-CG 3.35Å; Y1238-P1246 HydrophobicContact CD1-CB 4.11Å; Y1238-P1246 HydrophobicContact CD1-CG 4.28Å; Y1238-P1246 HydrophobicContact CD2-CB 3.73Å; Y1238-P1246 HydrophobicContact CE1-CB 4.07Å; Y1238-P1246 HydrophobicContact CE1-CG 4.18Å; Y1238-P1246 HydrophobicContact CE2-CB 3.69Å; Y1238-P1246 HydrophobicContact CG-CB 3.93Å; Y1238-P1246 HydrophobicContact CG-CG 4.48Å; P1246-A1248 PolarHBondContact O-N 3.16Å
1247S84.5Confident85.1Confident25.4 Ų25.439.1 Ų39.118%0.17822%0.217CC..  trans-74.395.6-166.461.40000113.5Y1238 Y1249 K1250Y1238-S1247 PolarHBondContact OH-O 2.97Å; S1247-Y1249 VanDerWaalsContact CB-CE1 3.46Å; S1247-Y1249 PolarHBondContact O-N 3.13Å; S1247-Y1249 WeakPolarHBondContact OG-CE1 3.29Å; S1247-K1250 PolarHBondContact O-N 3.3Å; S1247-K1250 VanDerWaalsContact O-N 3.14Å; S1247-K1250 WeakPolarHBondContact OG-CD 3.5Å; S1247-K1250 WeakPolarHBondContact OG-CE 3.46Å
1248A87.5Confident85.4Confident13 Ų1335.5 Ų35.511%0.10720%0.198CC..G310 helixtrans-54.8-23.3-173.400000115.8T998 V1001 C1210 P1246 K1250 L1251T998-A1248 HydrophobicContact CG2-CB 4.38Å; T998-A1248 WeakPolarHBondContact CG2-O 3.4Å; V1001-A1248 HydrophobicContact CG2-CB 3.46Å; V1001-A1248 VanDerWaalsContact CG2-CB 3.46Å; C1210-A1248 HydrophobicContact CB-CB 4.24Å; P1246-A1248 PolarHBondContact O-N 3.16Å; A1248-K1250 PolarHBondContact O-N 3.22Å; A1248-K1250 VanDerWaalsContact O-N 3.08Å; A1248-L1251 VanDerWaalsContact O-CB 3.27Å; A1248-L1251 WeakPolarHBondContact O-CB 3.46Å; A1248-L1251 PolarHBondContact O-N 3.26Å
1249Y88.4Confident85.6Confident121.6 Ų121.636 Ų3648%0.47720%0.203SC..G310 helixtrans-55.7-28175.563.2-95.9000113.2S1247 L1251 T1252 N1412S1247-Y1249 VanDerWaalsContact CB-CE1 3.46Å; S1247-Y1249 PolarHBondContact O-N 3.13Å; S1247-Y1249 WeakPolarHBondContact OG-CE1 3.29Å; Y1249-L1251 PolarHBondContact O-N 3.09Å; Y1249-T1252 WeakPolarHBondContact O-CB 3.34Å; Y1249-T1252 WeakPolarHBondContact O-CG2 3.38Å; Y1249-T1252 PolarHBondContact O-N 3.2Å; Y1249-T1252 VanDerWaalsContact O-N 3.11Å; Y1249-T1252 PolarHBondContact O-OG1 3.26Å; Y1249-N1412 PolarHBondContact OH-ND2 2.82Å; Y1249-N1412 VanDerWaalsContact OH-ND2 3.09Å
1250K89.4Confident86Confident14.2 Ų14.233.9 Ų33.96%0.06219%0.193CC..G310 helixtrans-57.6-33.4177.4-69.7-172.2-175.6-1730112.4R1165 D1167 Y1238 S1247 A1248 T1252 A1253 D1254 L1414R1165-K1250 HydrophobicContact CB-CD 4.5Å; R1165-K1250 HydrophobicContact CG-CB 4.33Å; R1165-K1250 HydrophobicContact CG-CD 4.38Å; R1165-K1250 WeakPolarHBondContact O-CE 3.37Å; R1165-K1250 PolarHBondContact O-NZ 3.18Å; D1167-K1250 IonicContact OD2-NZ 3.41Å; D1167-K1250 PolarHBondContact OD2-NZ 2.94Å; Y1238-K1250 HydrophobicContact CD2-CD 4.35Å; Y1238-K1250 HydrophobicContact CE2-CB 4.44Å; Y1238-K1250 HydrophobicContact CE2-CD 4Å; Y1238-K1250 HydrophobicContact CE2-CG 4.46Å; S1247-K1250 PolarHBondContact O-N 3.3Å; S1247-K1250 VanDerWaalsContact O-N 3.14Å; S1247-K1250 WeakPolarHBondContact OG-CD 3.5Å; S1247-K1250 WeakPolarHBondContact OG-CE 3.46Å; A1248-K1250 PolarHBondContact O-N 3.22Å; A1248-K1250 VanDerWaalsContact O-N 3.08Å; K1250-T1252 PolarHBondContact O-N 3.25Å; K1250-T1252 VanDerWaalsContact O-N 3.12Å; K1250-A1253 VanDerWaalsContact O-CB 3.29Å; K1250-A1253 WeakPolarHBondContact O-CB 3.31Å; K1250-A1253 PolarHBondContact O-N 3.28Å; K1250-D1254 VanDerWaalsContact O-OD1 3.13Å; K1250-L1414 HydrophobicContact CG-CB 4.48Å
1251L91.1Very high86.5Confident4.2 Ų4.233.2 Ų33.22%0.02219%0.189CC..Hα-helixtrans-62.5-19.5179.3-147.570000113.7T998 L1009 I1203 Q1206 Y1207 Y1238 A1248 Y1249 A1253 D1254 F1255T998-L1251 HydrophobicContact CG2-CB 4.2Å; L1009-L1251 HydrophobicContact CD1-CD2 4.25Å; L1009-L1251 HydrophobicContact CD2-CD2 4.34Å; I1203-L1251 HydrophobicContact CB-CD1 4.5Å; I1203-L1251 HydrophobicContact CG1-CD1 4.4Å; I1203-L1251 HydrophobicContact CG2-CD1 4.15Å; I1203-L1251 HydrophobicContact CG2-CD2 4.31Å; I1203-L1251 HydrophobicContact CG2-CG 4.17Å; Q1206-L1251 HydrophobicContact CB-CD1 4.06Å; Q1206-L1251 HydrophobicContact CB-CD2 4.46Å; Q1206-L1251 HydrophobicContact CB-CG 4.49Å; Y1207-L1251 HydrophobicContact CD2-CD2 3.88Å; Y1207-L1251 HydrophobicContact CG-CD2 4.33Å; Y1238-L1251 HydrophobicContact CE1-CD1 4.24Å; Y1238-L1251 WeakPolarHBondContact OH-CD1 3.36Å; A1248-L1251 VanDerWaalsContact O-CB 3.27Å; A1248-L1251 WeakPolarHBondContact O-CB 3.46Å; A1248-L1251 PolarHBondContact O-N 3.26Å; Y1249-L1251 PolarHBondContact O-N 3.09Å; L1251-A1253 VanDerWaalsContact C-N 3.28Å; L1251-A1253 PolarHBondContact O-N 3.26Å; L1251-D1254 WeakPolarHBondContact CA-OD2 3.34Å; L1251-D1254 HydrophobicContact CD1-CB 4.37Å; L1251-D1254 PolarHBondContact O-N 3.14Å; L1251-F1255 PolarHBondContact O-N 3.15Å; L1251-F1255 VanDerWaalsContact O-N 3.12Å
1252T91.1Very high87.3Confident53.2 Ų53.232.1 Ų32.133%0.32618%0.181SC..Hα-helixtrans-63.5-35172.564.10000111.8I994 T998 Y1249 K1250 F1256I994-T1252 HydrophobicContact CG2-CG2 4.16Å; T998-T1252 HydrophobicContact CG2-CG2 4.23Å; Y1249-T1252 WeakPolarHBondContact O-CB 3.34Å; Y1249-T1252 WeakPolarHBondContact O-CG2 3.38Å; Y1249-T1252 PolarHBondContact O-N 3.2Å; Y1249-T1252 VanDerWaalsContact O-N 3.11Å; Y1249-T1252 PolarHBondContact O-OG1 3.26Å; K1250-T1252 PolarHBondContact O-N 3.25Å; K1250-T1252 VanDerWaalsContact O-N 3.12Å; T1252-F1256 WeakPolarHBondContact O-CD2 3.4Å; T1252-F1256 PolarHBondContact O-N 3.14Å
1253A91.9Very high88.4Confident14.6 Ų14.631.7 Ų31.712%0.12118%0.179CC..Hα-helixtrans-67.3-4917700000110.3T1161 A1164 K1250 L1251 F1255 F1256 Q1257T1161-A1253 VanDerWaalsContact CG2-C 3.48Å; T1161-A1253 HydrophobicContact CG2-CB 3.88Å; T1161-A1253 WeakPolarHBondContact CG2-O 3.4Å; A1164-A1253 HydrophobicContact CB-CB 4.18Å; K1250-A1253 VanDerWaalsContact O-CB 3.29Å; K1250-A1253 WeakPolarHBondContact O-CB 3.31Å; K1250-A1253 PolarHBondContact O-N 3.28Å; L1251-A1253 VanDerWaalsContact C-N 3.28Å; L1251-A1253 PolarHBondContact O-N 3.26Å; A1253-F1255 VanDerWaalsContact C-N 3.27Å; A1253-F1255 PolarHBondContact O-N 3.2Å; A1253-F1256 WeakPolarHBondContact O-CA 3.25Å; A1253-F1256 WeakPolarHBondContact O-CB 3.4Å; A1253-F1256 PolarHBondContact O-N 3.12Å; A1253-Q1257 PolarHBondContact O-N 3.06Å; A1253-Q1257 VanDerWaalsContact O-N 3.15Å
1254D93.3Very high89.7Confident1.6 Ų1.627.2 Ų27.21%0.00916%0.159CC..Hα-helixtrans-59.7-35.2179.7-56.78.1000112.3R1165 Y1173 I1203 Q1206 K1250 L1251 F1256 Q1257 F1258R1165-D1254 VanDerWaalsContact CD-OD1 3.28Å; R1165-D1254 WeakPolarHBondContact CD-OD1 3.4Å; R1165-D1254 WeakPolarHBondContact CD-OD2 3.44Å; R1165-D1254 IonicContact CZ-OD1 3.22Å; R1165-D1254 IonicContact CZ-OD2 3.3Å; R1165-D1254 IonicContact NE-OD1 2.68Å; R1165-D1254 IonicContact NE-OD2 3.35Å; R1165-D1254 IonicContact NH1-OD1 3.31Å; R1165-D1254 PolarHBondContact NH1-OD1 3.2Å; R1165-D1254 IonicContact NH1-OD2 3.26Å; R1165-D1254 PolarHBondContact NH1-OD2 2.97Å; Y1173-D1254 VanDerWaalsContact CE2-OD1 3.3Å; Y1173-D1254 WeakPolarHBondContact CE2-OD1 3.21Å; Y1173-D1254 WeakPolarHBondContact CE2-OD2 3.46Å; Y1173-D1254 PolarHBondContact OH-OD2 3.31Å; I1203-D1254 HydrophobicContact CD1-CB 4.38Å; I1203-D1254 HydrophobicContact CG1-CB 4.32Å; Q1206-D1254 VanDerWaalsContact CD-OD2 3.32Å; Q1206-D1254 PolarHBondContact NE2-OD2 3.18Å; Q1206-D1254 PolarHBondContact OE1-OD2 3.13Å; Q1206-D1254 VanDerWaalsContact OE1-OD2 3.12Å; K1250-D1254 VanDerWaalsContact O-OD1 3.13Å; L1251-D1254 WeakPolarHBondContact CA-OD2 3.34Å; L1251-D1254 HydrophobicContact CD1-CB 4.37Å; L1251-D1254 PolarHBondContact O-N 3.14Å; D1254-F1256 VanDerWaalsContact C-N 3.33Å; D1254-F1256 PolarHBondContact O-N 3.24Å; D1254-Q1257 PolarHBondContact O-N 3.21Å; D1254-F1258 WeakPolarHBondContact O-CB 3.32Å; D1254-F1258 PolarHBondContact O-N 3.11Å
1255F93.3Very high90.8Very high20.8 Ų20.827.4 Ų27.49%0.09115%0.15CC..Hα-helixtrans-60.9-40.8171.7172.6-107.4000112.5G990 L991 I994 L1012 F1016 L1251 A1253 F1258 A1259G990-F1255 VanDerWaalsContact C-CZ 3.48Å; L991-F1255 HydrophobicContact CB-CE1 4.07Å; I994-F1255 HydrophobicContact CB-CB 4.47Å; I994-F1255 HydrophobicContact CB-CG 4.47Å; I994-F1255 HydrophobicContact CD1-CB 4.36Å; I994-F1255 HydrophobicContact CD1-CD2 4.39Å; I994-F1255 HydrophobicContact CD1-CG 4.38Å; I994-F1255 HydrophobicContact CG1-CB 3.9Å; I994-F1255 HydrophobicContact CG1-CD1 4.37Å; I994-F1255 HydrophobicContact CG1-CD2 3.75Å; I994-F1255 HydrophobicContact CG1-CE2 4.43Å; I994-F1255 HydrophobicContact CG1-CG 3.72Å; I994-F1255 HydrophobicContact CG2-CB 4.26Å; L1012-F1255 HydrophobicContact CD1-CE2 4.31Å; L1012-F1255 HydrophobicContact CD2-CD2 4.22Å; L1012-F1255 HydrophobicContact CD2-CE2 4.03Å; L1012-F1255 HydrophobicContact CG-CE2 4.46Å; F1016-F1255 HydrophobicContact CE2-CZ 4.41Å; L1251-F1255 PolarHBondContact O-N 3.15Å; L1251-F1255 VanDerWaalsContact O-N 3.12Å; A1253-F1255 VanDerWaalsContact C-N 3.27Å; A1253-F1255 PolarHBondContact O-N 3.2Å; F1255-F1258 PolarHBondContact O-N 3.1Å; F1255-A1259 HydrophobicContact CE2-CB 4.45Å; F1255-A1259 HydrophobicContact CZ-CB 4.35Å; F1255-A1259 VanDerWaalsContact O-CB 3.31Å; F1255-A1259 WeakPolarHBondContact O-CB 3.39Å; F1255-A1259 PolarHBondContact O-N 3.17Å
1256F94.1Very high91.6Very high114.8 Ų114.828 Ų2850%0.50414%0.138SC..Hα-helixtrans-66.5-39.3175.8-71.8-68000112.3L991 T1252 A1253 D1254 A1259 A1260L991-F1256 HydrophobicContact CD1-CE1 4.16Å; L991-F1256 HydrophobicContact CD1-CZ 3.75Å; T1252-F1256 WeakPolarHBondContact O-CD2 3.4Å; T1252-F1256 PolarHBondContact O-N 3.14Å; A1253-F1256 WeakPolarHBondContact O-CA 3.25Å; A1253-F1256 WeakPolarHBondContact O-CB 3.4Å; A1253-F1256 PolarHBondContact O-N 3.12Å; D1254-F1256 VanDerWaalsContact C-N 3.33Å; D1254-F1256 PolarHBondContact O-N 3.24Å; F1256-A1259 PolarHBondContact O-N 3.08Å; F1256-A1260 WeakPolarHBondContact O-CB 3.42Å; F1256-A1260 PolarHBondContact O-N 3.19Å
1257Q95.1Very high92.1Very high1 Ų127.9 Ų27.91%0.00514%0.138CC..Hα-helixtrans-62-49.8172.8173.2-178.3-2000111.2T1161 Y1195 L1199 A1253 D1254 A1259 A1260 V1261T1161-Q1257 HydrophobicContact CG2-CB 3.8Å; T1161-Q1257 PolarHBondContact OG1-OE1 3.06Å; Y1195-Q1257 PolarHBondContact OH-NE2 3.12Å; Y1195-Q1257 VanDerWaalsContact OH-NE2 3.16Å; L1199-Q1257 HydrophobicContact CD1-CG 4.18Å; A1253-Q1257 PolarHBondContact O-N 3.06Å; A1253-Q1257 VanDerWaalsContact O-N 3.15Å; D1254-Q1257 PolarHBondContact O-N 3.21Å; Q1257-A1259 PolarHBondContact O-N 3.18Å; Q1257-A1260 PolarHBondContact O-N 3.32Å; Q1257-V1261 WeakPolarHBondContact O-CB 3.44Å; Q1257-V1261 VanDerWaalsContact O-CG2 3.3Å; Q1257-V1261 WeakPolarHBondContact O-CG2 3.38Å; Q1257-V1261 PolarHBondContact O-N 3.16Å
1258F95Very high92.4Very high1.6 Ų1.626.8 Ų26.81%0.00713%0.13CC..Hα-helixtrans-61.3-42176.9176.1-104.2000112.3V1013 F1016 P1017 M1196 L1199 A1200 I1203 D1254 F1255 A1260 V1261 A1262V1013-F1258 HydrophobicContact CB-CE1 4.48Å; V1013-F1258 HydrophobicContact CB-CZ 4.49Å; V1013-F1258 HydrophobicContact CG1-CE1 4.39Å; V1013-F1258 HydrophobicContact CG1-CE2 4.39Å; V1013-F1258 HydrophobicContact CG1-CZ 3.95Å; V1013-F1258 HydrophobicContact CG2-CE1 4.46Å; V1013-F1258 WeakPolarHBondContact O-CZ 3.31Å; F1016-F1258 HydrophobicContact CB-CE1 4.32Å; F1016-F1258 HydrophobicContact CD1-CE1 4.39Å; P1017-F1258 HydrophobicContact CG-CZ 4.06Å; M1196-F1258 HydrophobicContact CG-CE2 4.12Å; L1199-F1258 HydrophobicContact CB-CD2 4.12Å; A1200-F1258 HydrophobicContact CB-CE2 3.91Å; A1200-F1258 HydrophobicContact CB-CZ 4.43Å; I1203-F1258 HydrophobicContact CD1-CB 3.63Å; I1203-F1258 HydrophobicContact CD1-CD1 4.46Å; I1203-F1258 HydrophobicContact CD1-CD2 4.47Å; I1203-F1258 HydrophobicContact CD1-CG 3.98Å; D1254-F1258 WeakPolarHBondContact O-CB 3.32Å; D1254-F1258 PolarHBondContact O-N 3.11Å; F1255-F1258 PolarHBondContact O-N 3.1Å; F1258-A1260 PolarHBondContact O-N 3.12Å; F1258-V1261 PolarHBondContact O-N 3.2Å; F1258-A1262 WeakPolarHBondContact O-CB 3.37Å; F1258-A1262 PolarHBondContact O-N 3.16Å
1259A93.8Very high92.5Very high12 Ų1232 Ų3210%0.09915%0.15CC..Hα-helixtrans-63.7-41177.300000112.1F1016 F1255 F1256 Q1257 A1262 L1263F1016-A1259 HydrophobicContact CE1-CB 3.83Å; F1016-A1259 HydrophobicContact CZ-CB 3.89Å; F1255-A1259 HydrophobicContact CE2-CB 4.45Å; F1255-A1259 HydrophobicContact CZ-CB 4.35Å; F1255-A1259 VanDerWaalsContact O-CB 3.31Å; F1255-A1259 WeakPolarHBondContact O-CB 3.39Å; F1255-A1259 PolarHBondContact O-N 3.17Å; F1256-A1259 PolarHBondContact O-N 3.08Å; Q1257-A1259 PolarHBondContact O-N 3.18Å; A1259-A1262 PolarHBondContact O-N 2.94Å; A1259-L1263 WeakPolarHBondContact O-CB 3.39Å; A1259-L1263 VanDerWaalsContact O-CG 3.25Å; A1259-L1263 WeakPolarHBondContact O-CG 3.39Å; A1259-L1263 PolarHBondContact O-N 2.86Å
1260A94.6Very high92.4Very high10.2 Ų10.227.8 Ų27.88%0.08414%0.135CC..Hα-helixtrans-62.5-46.1172.700000111.3C1154 T1157 F1256 Q1257 F1258 A1262 L1263 Q1264C1154-A1260 VanDerWaalsContact SG-C 3.52Å; C1154-A1260 PolarHBondContact SG-O 3.25Å; C1154-A1260 VanDerWaalsContact SG-O 3.4Å; T1157-A1260 HydrophobicContact CG2-CB 4.37Å; F1256-A1260 WeakPolarHBondContact O-CB 3.42Å; F1256-A1260 PolarHBondContact O-N 3.19Å; Q1257-A1260 PolarHBondContact O-N 3.32Å; F1258-A1260 PolarHBondContact O-N 3.12Å; A1260-A1262 PolarHBondContact O-N 3.13Å; A1260-L1263 PolarHBondContact O-N 3.16Å; A1260-Q1264 WeakPolarHBondContact O-CB 3.41Å; A1260-Q1264 PolarHBondContact O-N 3.19Å
1261V95Very high92.3Very high0.2 Ų0.229 Ų290%0.00114%0.141CC..Hα-helixtrans-62.2-41.4178.5169.50000112.1W1192 Y1195 M1196 L1199 Q1257 F1258 Q1264 F1265W1192-V1261 HydrophobicContact CZ2-CB 4.23Å; W1192-V1261 HydrophobicContact CZ2-CG1 4.08Å; W1192-V1261 HydrophobicContact CZ2-CG2 3.95Å; W1192-V1261 PolarHBondContact NE1-O 3.28Å; Y1195-V1261 HydrophobicContact CD1-CG1 4.05Å; Y1195-V1261 HydrophobicContact CD1-CG2 4.29Å; Y1195-V1261 HydrophobicContact CE1-CG1 4.21Å; Y1195-V1261 HydrophobicContact CE1-CG2 3.63Å; M1196-V1261 HydrophobicContact CB-CG1 3.93Å; M1196-V1261 HydrophobicContact CG-CG1 4.2Å; L1199-V1261 HydrophobicContact CD1-CB 4.3Å; L1199-V1261 HydrophobicContact CD1-CG1 4.3Å; L1199-V1261 HydrophobicContact CD1-CG2 3.91Å; Q1257-V1261 WeakPolarHBondContact O-CB 3.44Å; Q1257-V1261 VanDerWaalsContact O-CG2 3.3Å; Q1257-V1261 WeakPolarHBondContact O-CG2 3.38Å; Q1257-V1261 PolarHBondContact O-N 3.16Å; F1258-V1261 PolarHBondContact O-N 3.2Å; V1261-Q1264 PolarHBondContact O-N 3.08Å; V1261-F1265 PolarHBondContact O-N 3.13Å
1262A93.7Very high92Very high2.4 Ų2.434.9 Ų34.92%0.0217%0.169CC..Hα-helixtrans-68.3-34.3175.800000112.9F1016 P1017 M1196 F1258 A1259 A1260 F1265 R1266F1016-A1262 HydrophobicContact CD1-CB 3.79Å; F1016-A1262 HydrophobicContact CE1-CB 4.05Å; P1017-A1262 HydrophobicContact CB-CB 4.31Å; P1017-A1262 HydrophobicContact CG-CB 4.15Å; M1196-A1262 HydrophobicContact SD-CB 4.46Å; F1258-A1262 WeakPolarHBondContact O-CB 3.37Å; F1258-A1262 PolarHBondContact O-N 3.16Å; A1259-A1262 PolarHBondContact O-N 2.94Å; A1260-A1262 PolarHBondContact O-N 3.13Å; A1262-F1265 WeakPolarHBondContact O-CB 3.31Å; A1262-F1265 PolarHBondContact O-N 3.37Å; A1262-R1266 PolarHBondContact O-N 3.2Å
1263L92.6Very high91.7Very high48.6 Ų48.639.3 Ų39.325%0.25418%0.179SC..Hα-helixtrans-67.3-42.5170.8-71.1168.5000111.3F1146 A1259 A1260 F1265 R1266 V1267F1146-L1263 HydrophobicContact CD1-CB 4.2Å; F1146-L1263 HydrophobicContact CE1-CB 3.51Å; F1146-L1263 VanDerWaalsContact CE1-CB 3.48Å; F1146-L1263 HydrophobicContact CZ-CB 3.72Å; A1259-L1263 WeakPolarHBondContact O-CB 3.39Å; A1259-L1263 VanDerWaalsContact O-CG 3.25Å; A1259-L1263 WeakPolarHBondContact O-CG 3.39Å; A1259-L1263 PolarHBondContact O-N 2.86Å; A1260-L1263 PolarHBondContact O-N 3.16Å; L1263-F1265 VanDerWaalsContact C-N 3.32Å; L1263-F1265 PolarHBondContact O-N 3.12Å; L1263-R1266 WeakPolarHBondContact O-CB 3.35Å; L1263-R1266 PolarHBondContact O-N 3.12Å; L1263-R1266 VanDerWaalsContact O-N 3.13Å; L1263-V1267 PolarHBondContact O-N 3.06Å; L1263-V1267 VanDerWaalsContact O-N 3.1Å
1264Q94.3Very high90.8Very high0 Ų044.2 Ų44.20%021%0.21CC..Hα-helixtrans-68.4-29.5177.9-177.256.229.600112.6F1146 G1150 W1192 A1260 V1261 R1266 V1267 F1268F1146-Q1264 HydrophobicContact CE1-CB 4.28Å; F1146-Q1264 HydrophobicContact CZ-CB 4.33Å; G1150-Q1264 VanDerWaalsContact C-OE1 3.23Å; G1150-Q1264 VanDerWaalsContact CA-OE1 3.31Å; W1192-Q1264 HydrophobicContact CH2-CG 4.18Å; W1192-Q1264 HydrophobicContact CZ2-CB 3.69Å; W1192-Q1264 HydrophobicContact CZ2-CG 3.53Å; A1260-Q1264 WeakPolarHBondContact O-CB 3.41Å; A1260-Q1264 PolarHBondContact O-N 3.19Å; V1261-Q1264 PolarHBondContact O-N 3.08Å; Q1264-R1266 VanDerWaalsContact C-N 3.34Å; Q1264-R1266 PolarHBondContact O-N 3.28Å; Q1264-V1267 WeakPolarHBondContact O-CB 3.42Å; Q1264-V1267 PolarHBondContact O-N 3.14Å; Q1264-F1268 HydrophobicContact CG-CD2 4.05Å; Q1264-F1268 HydrophobicContact CG-CE2 3.69Å; Q1264-F1268 HydrophobicContact CG-CZ 4.2Å; Q1264-F1268 VanDerWaalsContact NE2-CE1 3.27Å; Q1264-F1268 WeakPolarHBondContact O-CD2 3.4Å; Q1264-F1268 PolarHBondContact O-N 3.32Å
1265F93.3Very high89.9Confident39.2 Ų39.248.8 Ų48.817%0.17224%0.235CC..Hα-helixtrans-59.5-43.2168.6175-118.4000111.8P1017 F1018 P1193 M1196 V1261 A1262 L1263 V1267 F1268 K1269P1017-F1265 HydrophobicContact CB-CD1 4.44Å; F1018-F1265 HydrophobicContact CE1-CE1 4.42Å; P1193-F1265 HydrophobicContact CG-CE2 4.15Å; M1196-F1265 HydrophobicContact CE-CB 4.23Å; M1196-F1265 HydrophobicContact CE-CD1 3.79Å; M1196-F1265 VanDerWaalsContact CE-CD1 3.4Å; M1196-F1265 HydrophobicContact CE-CD2 4.04Å; M1196-F1265 HydrophobicContact CE-CE1 3.97Å; M1196-F1265 HydrophobicContact CE-CE2 4.24Å; M1196-F1265 HydrophobicContact CE-CG 3.72Å; M1196-F1265 VanDerWaalsContact CE-CG 3.47Å; M1196-F1265 HydrophobicContact CE-CZ 4.13Å; M1196-F1265 HydrophobicContact SD-CB 3.9Å; M1196-F1265 HydrophobicContact SD-CD1 3.8Å; M1196-F1265 HydrophobicContact SD-CD2 4.5Å; M1196-F1265 HydrophobicContact SD-CE1 4.46Å; M1196-F1265 HydrophobicContact SD-CG 3.85Å; V1261-F1265 PolarHBondContact O-N 3.13Å; A1262-F1265 WeakPolarHBondContact O-CB 3.31Å; A1262-F1265 PolarHBondContact O-N 3.37Å; L1263-F1265 VanDerWaalsContact C-N 3.32Å; L1263-F1265 PolarHBondContact O-N 3.12Å; F1265-V1267 VanDerWaalsContact C-N 3.35Å; F1265-V1267 PolarHBondContact O-N 3.18Å; F1265-F1268 PolarHBondContact O-N 3.1Å; F1265-K1269 WeakPolarHBondContact O-CB 3.4Å; F1265-K1269 PolarHBondContact O-N 3.2Å
1266R90.2Very high88.8Confident76.8 Ų76.848.6 Ų48.629%0.2924%0.236SC..Hα-helixtrans-64.9-38.2174.8-105.8178.8106.7-165.90.9112E1118 A1262 L1263 Q1264 K1269 I1270E1118-R1266 IonicContact OE1-NH2 3.55Å; E1118-R1266 PolarHBondContact OE1-NH2 2.86Å; E1118-R1266 IonicContact OE2-CZ 3.38Å; E1118-R1266 IonicContact OE2-NE 3.86Å; E1118-R1266 IonicContact OE2-NH2 3.27Å; E1118-R1266 PolarHBondContact OE2-NH2 3.18Å; A1262-R1266 PolarHBondContact O-N 3.2Å; L1263-R1266 WeakPolarHBondContact O-CB 3.35Å; L1263-R1266 PolarHBondContact O-N 3.12Å; L1263-R1266 VanDerWaalsContact O-N 3.13Å; Q1264-R1266 VanDerWaalsContact C-N 3.34Å; Q1264-R1266 PolarHBondContact O-N 3.28Å; R1266-K1269 PolarHBondContact O-N 3.42Å; R1266-I1270 HydrophobicContact CG-CD1 4.5Å; R1266-I1270 WeakPolarHBondContact O-CG1 3.31Å; R1266-I1270 PolarHBondContact O-N 3.27Å; R1266-I1270 VanDerWaalsContact O-N 3.11Å
1267V90.9Very high87.5Confident10.8 Ų10.848.7 Ų48.77%0.06524%0.237CC..Hα-helixtrans-61.3-48.9173.9170.40000111.2F1146 Y1147 L1263 Q1264 F1265 K1269 I1270 E1271F1146-V1267 HydrophobicContact CD1-CG2 3.96Å; F1146-V1267 HydrophobicContact CE1-CG2 4.11Å; Y1147-V1267 HydrophobicContact CD2-CG1 3.89Å; Y1147-V1267 HydrophobicContact CD2-CG2 4.44Å; Y1147-V1267 HydrophobicContact CE2-CG1 4.31Å; L1263-V1267 PolarHBondContact O-N 3.06Å; L1263-V1267 VanDerWaalsContact O-N 3.1Å; Q1264-V1267 WeakPolarHBondContact O-CB 3.42Å; Q1264-V1267 PolarHBondContact O-N 3.14Å; F1265-V1267 VanDerWaalsContact C-N 3.35Å; F1265-V1267 PolarHBondContact O-N 3.18Å; V1267-K1269 VanDerWaalsContact C-N 3.31Å; V1267-K1269 PolarHBondContact O-N 3.13Å; V1267-I1270 WeakPolarHBondContact O-CB 3.36Å; V1267-I1270 PolarHBondContact O-N 3.23Å; V1267-E1271 VanDerWaalsContact CG1-OE1 3.25Å; V1267-E1271 WeakPolarHBondContact CG1-OE1 3.37Å; V1267-E1271 PolarHBondContact O-N 3Å
1268F91.9Very high86.4Confident2.8 Ų2.858.8 Ų58.81%0.01228%0.276CS..Hα-helixtrans-62.3-35.1175.5-71.2-44.3000113L1151 R1185 C1188 A1189 W1192 Q1264 F1265 I1270 E1271 Q1272L1151-F1268 HydrophobicContact CD1-CZ 4.28Å; R1185-F1268 HydrophobicContact CG-CE1 3.88Å; C1188-F1268 HydrophobicContact CB-CZ 4.25Å; A1189-F1268 HydrophobicContact CB-CB 4.12Å; A1189-F1268 HydrophobicContact CB-CD1 3.59Å; A1189-F1268 HydrophobicContact CB-CD2 4.21Å; A1189-F1268 HydrophobicContact CB-CE1 3.94Å; A1189-F1268 HydrophobicContact CB-CE2 4.49Å; A1189-F1268 HydrophobicContact CB-CG 3.73Å; A1189-F1268 HydrophobicContact CB-CZ 4.38Å; W1192-F1268 HydrophobicContact CB-CD2 4.01Å; W1192-F1268 HydrophobicContact CB-CE2 4.16Å; W1192-F1268 HydrophobicContact CD2-CD2 4.09Å; W1192-F1268 AromaticContact CD2-CE2 3.62Å; W1192-F1268 HydrophobicContact CD2-CE2 3.62Å; W1192-F1268 AromaticContact CE3-CE2 3.82Å; W1192-F1268 HydrophobicContact CE3-CE2 3.82Å; W1192-F1268 AromaticContact CG-CD2 3.77Å; W1192-F1268 HydrophobicContact CG-CD2 3.77Å; W1192-F1268 AromaticContact CG-CE2 3.79Å; W1192-F1268 HydrophobicContact CG-CE2 3.79Å; W1192-F1268 HydrophobicContact CZ3-CE2 4.42Å; Q1264-F1268 HydrophobicContact CG-CD2 4.05Å; Q1264-F1268 HydrophobicContact CG-CE2 3.69Å; Q1264-F1268 HydrophobicContact CG-CZ 4.2Å; Q1264-F1268 VanDerWaalsContact NE2-CE1 3.27Å; Q1264-F1268 WeakPolarHBondContact O-CD2 3.4Å; Q1264-F1268 PolarHBondContact O-N 3.32Å; F1265-F1268 PolarHBondContact O-N 3.1Å; F1268-I1270 VanDerWaalsContact C-N 3.27Å; F1268-I1270 PolarHBondContact O-N 3.27Å; F1268-E1271 PolarHBondContact O-N 3.18Å; F1268-Q1272 VanDerWaalsContact O-CG 3.31Å; F1268-Q1272 WeakPolarHBondContact O-CG 3.31Å; F1268-Q1272 PolarHBondContact O-N 3.08Å
1269K89.1Confident85.7Confident121.8 Ų121.861.5 Ų61.553%0.5329%0.286SS..Hα-helixtrans-68.5-21.2173.8-170.5168.8-177.3173.90113.6F1265 R1266 V1267F1265-K1269 WeakPolarHBondContact O-CB 3.4Å; F1265-K1269 PolarHBondContact O-N 3.2Å; R1266-K1269 PolarHBondContact O-N 3.42Å; V1267-K1269 VanDerWaalsContact C-N 3.31Å; V1267-K1269 PolarHBondContact O-N 3.13Å
1270I87Confident84.9Confident33.4 Ų33.464.3 Ų64.317%0.17130%0.3CS..Hα-helixtrans-79.6-43.9169.7-66.7163.9000109.9Y1147 R1266 V1267 F1268 Q1272 R1273 S1276 Y1279Y1147-I1270 HydrophobicContact CE2-CB 4.38Å; Y1147-I1270 HydrophobicContact CE2-CG2 4.02Å; R1266-I1270 HydrophobicContact CG-CD1 4.5Å; R1266-I1270 WeakPolarHBondContact O-CG1 3.31Å; R1266-I1270 PolarHBondContact O-N 3.27Å; R1266-I1270 VanDerWaalsContact O-N 3.11Å; V1267-I1270 WeakPolarHBondContact O-CB 3.36Å; V1267-I1270 PolarHBondContact O-N 3.23Å; F1268-I1270 VanDerWaalsContact C-N 3.27Å; F1268-I1270 PolarHBondContact O-N 3.27Å; I1270-Q1272 VanDerWaalsContact C-N 3.27Å; I1270-Q1272 PolarHBondContact O-N 3.19Å; I1270-R1273 WeakPolarHBondContact O-CB 3.44Å; I1270-R1273 WeakPolarHBondContact O-CG 3.29Å; I1270-R1273 PolarHBondContact O-N 3.31Å; I1270-R1273 VanDerWaalsContact O-N 3.15Å; I1270-S1276 WeakPolarHBondContact O-CB 3.29Å; I1270-Y1279 HydrophobicContact CG2-CD1 4.29Å; I1270-Y1279 HydrophobicContact CG2-CD2 4.38Å; I1270-Y1279 HydrophobicContact CG2-CE1 4.28Å; I1270-Y1279 HydrophobicContact CG2-CE2 4.4Å; I1270-Y1279 HydrophobicContact CG2-CG 4.35Å
1271E86.6Confident84.1Confident38.6 Ų38.663.8 Ų63.818%0.1830%0.296CS..Hα-helixtrans-64.2-24.8178-72.3170.1-152.900114.4Y1147 R1185 V1267 F1268 R1273 S1276 N1284Y1147-E1271 HydrophobicContact CE2-CG 4.32Å; R1185-E1271 IonicContact CZ-OE1 3.61Å; R1185-E1271 IonicContact CZ-OE2 3.38Å; R1185-E1271 IonicContact NE-OE1 3.46Å; R1185-E1271 PolarHBondContact NE-OE1 3.13Å; R1185-E1271 IonicContact NE-OE2 3.23Å; R1185-E1271 PolarHBondContact NE-OE2 3.17Å; R1185-E1271 IonicContact NH2-OE1 3.66Å; R1185-E1271 PolarHBondContact NH2-OE1 3.22Å; R1185-E1271 IonicContact NH2-OE2 3.33Å; R1185-E1271 PolarHBondContact NH2-OE2 3.27Å; V1267-E1271 VanDerWaalsContact CG1-OE1 3.25Å; V1267-E1271 WeakPolarHBondContact CG1-OE1 3.37Å; V1267-E1271 PolarHBondContact O-N 3Å; F1268-E1271 PolarHBondContact O-N 3.18Å; E1271-R1273 VanDerWaalsContact C-N 3.31Å; E1271-R1273 PolarHBondContact O-N 3.31Å; E1271-S1276 PolarHBondContact O-OG 3.28Å; E1271-N1284 HydrophobicContact CG-CB 4.14Å; E1271-N1284 PolarHBondContact OE1-ND2 3.26Å
1272Q84.8Confident83.4Confident128.8 Ų128.864.3 Ų64.360%0.60230%0.3SS*.THydrogen-bonded Turntrans-80.8-3.3176-73.4171.82.100113.9A1189 F1268 I1270A1189-Q1272 PolarHBondContact O-NE2 3.36Å; F1268-Q1272 VanDerWaalsContact O-CG 3.31Å; F1268-Q1272 WeakPolarHBondContact O-CG 3.31Å; F1268-Q1272 PolarHBondContact O-N 3.08Å; I1270-Q1272 VanDerWaalsContact C-N 3.27Å; I1270-Q1272 PolarHBondContact O-N 3.19Å
1273R84.5Confident82.8Confident146.2 Ų146.267.1 Ų67.155%0.55232%0.32SS*.SBendtrans-77.3147.1176-65.4179.9176.7-175.8-3.8111.2I1270 E1271 D1275 S1276I1270-R1273 WeakPolarHBondContact O-CB 3.44Å; I1270-R1273 WeakPolarHBondContact O-CG 3.29Å; I1270-R1273 PolarHBondContact O-N 3.31Å; I1270-R1273 VanDerWaalsContact O-N 3.15Å; E1271-R1273 VanDerWaalsContact C-N 3.31Å; E1271-R1273 PolarHBondContact O-N 3.31Å; R1273-D1275 VanDerWaalsContact C-N 3.31Å; R1273-D1275 PolarHBondContact O-N 3.32Å; R1273-S1276 WeakPolarHBondContact O-CB 3.38Å; R1273-S1276 PolarHBondContact O-N 3.32Å; R1273-S1276 VanDerWaalsContact O-N 3.13Å; R1273-S1276 PolarHBondContact O-OG 3.17Å
1274P74.3Confident82.3Confident117 Ų11765.6 Ų65.676%0.7631%0.312SS*.G310 helixtrans-60.5-40.7173.525-33000111.5S1276P1274-S1276 PolarHBondContact O-N 3.21Å
1275D74Confident81.5Confident98.8 Ų98.872.3 Ų72.353%0.52834%0.337SS..G310 helixtrans-74.710.1177.7-48.8-77.1000114.4R1273 E1277 R1278 Y1279R1273-D1275 VanDerWaalsContact C-N 3.31Å; R1273-D1275 PolarHBondContact O-N 3.32Å; D1275-E1277 PolarHBondContact O-N 3.18Å; D1275-E1277 VanDerWaalsContact O-N 3.16Å; D1275-R1278 CarbonylContact O-C 3.58Å; D1275-R1278 WeakPolarHBondContact O-CA 3.24Å; D1275-R1278 PolarHBondContact O-N 3.11Å; D1275-R1278 IonicContact OD1-NH1 3.22Å; D1275-R1278 PolarHBondContact OD1-NH1 2.97Å; D1275-Y1279 PolarHBondContact O-N 3.22Å
1276S70.3Confident80.7Confident16 Ų1673.6 Ų73.611%0.11235%0.349CS..G310 helixtrans-61.4-24.9-177.354.60000113.8I1270 E1271 R1273 P1274 Y1279I1270-S1276 WeakPolarHBondContact O-CB 3.29Å; E1271-S1276 PolarHBondContact O-OG 3.28Å; R1273-S1276 WeakPolarHBondContact O-CB 3.38Å; R1273-S1276 PolarHBondContact O-N 3.32Å; R1273-S1276 VanDerWaalsContact O-N 3.13Å; R1273-S1276 PolarHBondContact O-OG 3.17Å; P1274-S1276 PolarHBondContact O-N 3.21Å; S1276-Y1279 WeakPolarHBondContact O-CB 3.46Å
1277E67.6Low79.7Confident115.6 Ų115.672.2 Ų72.254%0.5435%0.347SS..G310 helixtrans-77.9-21.5174.4-66.6175.3-165.800112.9D1275 R1285D1275-E1277 PolarHBondContact O-N 3.18Å; D1275-E1277 VanDerWaalsContact O-N 3.16Å; E1277-R1285 IonicContact OE1-CZ 3.05Å; E1277-R1285 IonicContact OE1-NH1 3.14Å; E1277-R1285 PolarHBondContact OE1-NH1 2.99Å; E1277-R1285 IonicContact OE1-NH2 3.7Å; E1277-R1285 PolarHBondContact OE1-NH2 3.36Å
1278R70.9Confident78.4Confident214.8 Ų214.875.9 Ų75.981%0.81137%0.366SS*.G310 helixtrans-922.4174-84.3179.4175.1163.6-2.9113.5D1275D1275-R1278 CarbonylContact O-C 3.58Å; D1275-R1278 WeakPolarHBondContact O-CA 3.24Å; D1275-R1278 PolarHBondContact O-N 3.11Å; D1275-R1278 IonicContact OD1-NH1 3.22Å; D1275-R1278 PolarHBondContact OD1-NH1 2.97Å
1279Y80.1Confident77.1Confident57.2 Ų57.279.2 Ų79.222%0.22439%0.387CS..SBendtrans-71.7134.3178.3-173.1-116.9000110.6Y1144 Y1147 I1270 D1275 S1276 G1281 G1282Y1144-Y1279 AromaticContact CD1-CE1 3.96Å; Y1144-Y1279 HydrophobicContact CD1-CE1 3.96Å; Y1144-Y1279 AromaticContact CE1-CE1 3.84Å; Y1144-Y1279 HydrophobicContact CE1-CE1 3.84Å; Y1144-Y1279 AromaticContact CE1-CZ 3.84Å; Y1147-Y1279 HydrophobicContact CD1-CD1 4.47Å; Y1147-Y1279 HydrophobicContact CD1-CE1 4.2Å; Y1147-Y1279 AromaticContact CD2-CE1 3.97Å; Y1147-Y1279 HydrophobicContact CD2-CE1 3.98Å; Y1147-Y1279 AromaticContact CE1-CD1 3.92Å; Y1147-Y1279 HydrophobicContact CE1-CD1 3.92Å; Y1147-Y1279 HydrophobicContact CE1-CE1 4.06Å; Y1147-Y1279 AromaticContact CE2-CD1 3.97Å; Y1147-Y1279 HydrophobicContact CE2-CD1 4Å; Y1147-Y1279 AromaticContact CE2-CE1 3.84Å; Y1147-Y1279 HydrophobicContact CE2-CE1 3.84Å; Y1147-Y1279 HydrophobicContact CG-CE1 4.17Å; Y1147-Y1279 AromaticContact CZ-CD1 3.65Å; Y1147-Y1279 AromaticContact CZ-CE1 3.89Å; I1270-Y1279 HydrophobicContact CG2-CD1 4.29Å; I1270-Y1279 HydrophobicContact CG2-CD2 4.38Å; I1270-Y1279 HydrophobicContact CG2-CE1 4.28Å; I1270-Y1279 HydrophobicContact CG2-CE2 4.4Å; I1270-Y1279 HydrophobicContact CG2-CG 4.35Å; D1275-Y1279 PolarHBondContact O-N 3.22Å; S1276-Y1279 WeakPolarHBondContact O-CB 3.46Å; Y1279-G1281 PolarHBondContact O-N 3.13Å; Y1279-G1282 WeakPolarHBondContact O-CA 3.46Å; Y1279-G1282 PolarHBondContact O-N 3.08Å
1280D77.6Confident75.8Confident71.6 Ų71.676.2 Ų76.238%0.38338%0.377SS..THydrogen-bonded Turntrans-53-27-173.6-58.7-55.6000115.1T1126 I1127 Y1144 G1282T1126-D1280 HydrophobicContact CG2-CB 4.22Å; I1127-D1280 PolarHBondContact N-O 2.94Å; Y1144-D1280 HydrophobicContact CE1-CB 4.41Å; Y1144-D1280 HydrophobicContact CE2-CB 4.43Å; Y1144-D1280 VanDerWaalsContact OH-CB 3.26Å; Y1144-D1280 WeakPolarHBondContact OH-CB 3.3Å; D1280-G1282 VanDerWaalsContact C-N 3.28Å; D1280-G1282 PolarHBondContact O-N 3.07Å
1281G77.2Confident74.7Confident0 Ų079.8 Ų79.80%039%0.393CS..THydrogen-bonded Turntrans-76.2-6.8175.800000114.8K1148 Y1279K1148-G1281 WeakPolarHBondContact CE-O 3.33Å; K1148-G1281 PolarHBondContact NZ-O 3.01Å; Y1279-G1281 PolarHBondContact O-N 3.13Å
1282G80.2Confident73.8Confident9 Ų982.6 Ų82.69%0.09341%0.409CS..  trans68167.7-178.900000115Y1147 K1148 Y1279 D1280Y1147-G1282 WeakPolarHBondContact CE1-O 3.38Å; Y1147-G1282 PolarHBondContact OH-O 3.1Å; K1148-G1282 VanDerWaalsContact NZ-C 3.33Å; K1148-G1282 PolarHBondContact NZ-O 3.11Å; Y1279-G1282 WeakPolarHBondContact O-CA 3.46Å; Y1279-G1282 PolarHBondContact O-N 3.08Å; D1280-G1282 VanDerWaalsContact C-N 3.28Å; D1280-G1282 PolarHBondContact O-N 3.07Å
1283S81.5Confident73Confident63 Ų6377.4 Ų77.444%0.44139%0.386SS..  trans-55.4149.5-175.31720000114.5K1148K1148-S1283 PolarHBondContact NZ-O 3.26Å
1284N83Confident72.1Confident15.6 Ų15.675.1 Ų75.18%0.08338%0.384CS..  trans-116.89.6-176.2-104.22.1000113.7Y1147 K1148 R1185 E1271Y1147-N1284 WeakPolarHBondContact CE1-ND2 3.39Å; Y1147-N1284 PolarHBondContact O-ND2 2.93Å; K1148-N1284 VanDerWaalsContact CD-OD1 3.23Å; K1148-N1284 WeakPolarHBondContact CD-OD1 3.44Å; K1148-N1284 PolarHBondContact NZ-OD1 3.11Å; R1185-N1284 VanDerWaalsContact CD-O 3.3Å; R1185-N1284 WeakPolarHBondContact CD-O 3.43Å; R1185-N1284 PolarHBondContact NE-O 3.34Å; R1185-N1284 PolarHBondContact NH1-O 3.03Å; R1185-N1284 PolarHBondContact NH2-ND2 3.12Å; R1185-N1284 VanDerWaalsContact NH2-ND2 3.15Å; E1271-N1284 HydrophobicContact CG-CB 4.14Å; E1271-N1284 PolarHBondContact OE1-ND2 3.26Å
1285R77.5Confident71.6Confident141.6 Ų141.678.5 Ų78.553%0.53439%0.39SS..SBendtrans-73.9136.8174.6-60.3-179.9-173.3141.812.5109.5E1277E1277-R1285 IonicContact OE1-CZ 3.05Å; E1277-R1285 IonicContact OE1-NH1 3.14Å; E1277-R1285 PolarHBondContact OE1-NH1 2.99Å; E1277-R1285 IonicContact OE1-NH2 3.7Å; E1277-R1285 PolarHBondContact OE1-NH2 3.36Å
1286P76.1Confident71Confident65.6 Ų65.682.9 Ų82.943%0.42641%0.407SS..  trans-71135.517530.6-34.2000110.2L1288 T1454P1286-L1288 HydrophobicContact CB-CD1 3.77Å; P1286-L1288 HydrophobicContact CG-CD1 3.8Å; P1286-L1288 WeakPolarHBondContact O-CD1 3.39Å; P1286-L1288 PolarHBondContact O-N 3.24Å; P1286-T1454 HydrophobicContact CB-CG2 4.24Å
1287I68Low70.9Confident47.6 Ų47.685 Ų8524%0.24442%0.418CS..  trans-88.7101.4180-53.9173.6000108.3R1361 H1456I1287-R1361 VanDerWaalsContact O-CD 3.31Å; I1287-R1361 WeakPolarHBondContact O-CD 3.27Å; I1287-R1361 PolarHBondContact O-NH1 3.01Å; I1287-R1361 VanDerWaalsContact O-NH1 3.07Å; I1287-H1456 HydrophobicContact CD1-CB 3.95Å
1288L64.6Low71Confident88.8 Ų88.884.4 Ų84.447%0.46541%0.41SS..  trans-91.7-15.8179-83.171.6000113P1286 R1361 I1365P1286-L1288 HydrophobicContact CB-CD1 3.77Å; P1286-L1288 HydrophobicContact CG-CD1 3.8Å; P1286-L1288 WeakPolarHBondContact O-CD1 3.39Å; P1286-L1288 PolarHBondContact O-N 3.24Å; L1288-R1361 WeakPolarHBondContact O-CB 3.34Å; L1288-I1365 HydrophobicContact CG-CD1 4.49Å
1289T63.6Low71.2Confident72 Ų7275.8 Ų75.844%0.44238%0.381SS..SBendtrans-76.3142.4176.434.30000111.4E1291 R1361T1289-E1291 WeakPolarHBondContact CB-OE1 3.27Å; T1289-E1291 PolarHBondContact O-N 3.24Å; T1289-E1291 VanDerWaalsContact O-N 3.13Å; T1289-E1291 VanDerWaalsContact OG1-CD 3.26Å; T1289-E1291 PolarHBondContact OG1-OE1 3.16Å; T1289-R1361 VanDerWaalsContact O-CD 3.26Å; T1289-R1361 WeakPolarHBondContact O-CD 3.39Å; T1289-R1361 PolarHBondContact O-NE 3.29Å; T1289-R1361 VanDerWaalsContact O-NE 3.1Å; T1289-R1361 PolarHBondContact O-NH1 3.23Å; T1289-R1361 VanDerWaalsContact O-NH1 3.17Å; T1289-R1361 PolarHBondContact O-NH2 3.15Å
1290N63.4Low71.3Confident59.6 Ų59.673.2 Ų73.232%0.31937%0.37SS..  trans-86.653.1171.6-82.5-17.2000110.8L1292 R1361 L1462N1290-L1292 PolarHBondContact O-N 3.42Å; N1290-R1361 WeakPolarHBondContact OD1-CD 3.35Å; N1290-R1361 VanDerWaalsContact OD1-CG 3.28Å; N1290-R1361 WeakPolarHBondContact OD1-CG 3.43Å; N1290-R1361 PolarHBondContact OD1-N 3.31Å; N1290-R1361 PolarHBondContact OD1-NE 3.04Å; N1290-R1361 PolarHBondContact OD1-NH2 3.47Å; N1290-R1361 VanDerWaalsContact OD1-NH2 3.16Å; N1290-L1462 VanDerWaalsContact OD1-CD2 3.23Å; N1290-L1462 WeakPolarHBondContact OD1-CD2 3.39Å
1291E64.1Low71.4Confident108.2 Ų108.270.2 Ų70.251%0.50636%0.355SS..PPolyproline II helixtrans-62.5137.1171.3-77.2149.5-139.600110.2T1289 R1361 S1459T1289-E1291 WeakPolarHBondContact CB-OE1 3.27Å; T1289-E1291 PolarHBondContact O-N 3.24Å; T1289-E1291 VanDerWaalsContact O-N 3.13Å; T1289-E1291 VanDerWaalsContact OG1-CD 3.26Å; T1289-E1291 PolarHBondContact OG1-OE1 3.16Å; E1291-R1361 PolarHBondContact O-NH2 2.84Å; E1291-S1459 WeakPolarHBondContact O-CB 3.17Å; E1291-S1459 PolarHBondContact O-OG 2.98Å; E1291-S1459 VanDerWaalsContact O-OG 3.11Å
1292L67.7Low71.3Confident98.4 Ų98.473.7 Ų73.752%0.51538%0.379SS..PPolyproline II helixtrans-64.7150.3167.9-75.477.6000108.8N1290 N1294N1290-L1292 PolarHBondContact O-N 3.42Å; L1292-N1294 PolarHBondContact O-N 3.25Å
1293P68.1Low71.1Confident18.6 Ų18.676 Ų7612%0.12139%0.391CS..PPolyproline II helixtrans-56.3140.6168-21.333000111.2D1297 L1463P1293-D1297 HydrophobicContact CB-CB 4.43Å; P1293-L1463 HydrophobicContact CG-CD2 4.47Å
1294N64.9Low71Confident98.2 Ų98.275.9 Ų75.953%0.52538%0.383SS..PPolyproline II helixtrans-69.5158.1174.8-54.2-71.5000110.5L1292 E1296 D1297L1292-N1294 PolarHBondContact O-N 3.25Å; N1294-E1296 PolarHBondContact O-N 3.21Å; N1294-E1296 VanDerWaalsContact O-N 3.13Å; N1294-D1297 WeakPolarHBondContact CB-OD2 3.37Å; N1294-D1297 PolarHBondContact N-OD2 3.23Å; N1294-D1297 PolarHBondContact ND2-OD2 3.23Å; N1294-D1297 WeakPolarHBondContact O-CB 3.48Å; N1294-D1297 PolarHBondContact O-N 3.12Å; N1294-D1297 VanDerWaalsContact O-N 3.08Å
1295E62.5Low70.8Confident187.6 Ų187.681.1 Ų81.188%0.87741%0.407SS*.THydrogen-bonded Turntrans-62.3-21.6175.9-77.5-172.5160.200113.1D1297E1295-D1297 VanDerWaalsContact C-N 3.34Å
1296E62Low70.9Confident191.8 Ų191.875.7 Ų75.790%0.89639%0.391SS*.THydrogen-bonded Turntrans-78.3-17.9174.7-58.8-172.817500113.8N1294 R1298N1294-E1296 PolarHBondContact O-N 3.21Å; N1294-E1296 VanDerWaalsContact O-N 3.13Å; E1296-R1298 PolarHBondContact O-N 3.22Å
1297D68.2Low71.2Confident61 Ų6181.1 Ų81.133%0.32640%0.404SS..SBendtrans-84.1105.3-175.3-81.9-69.8000111.7P1293 N1294 E1295 D1299 H1456P1293-D1297 HydrophobicContact CB-CB 4.43Å; N1294-D1297 WeakPolarHBondContact CB-OD2 3.37Å; N1294-D1297 PolarHBondContact N-OD2 3.23Å; N1294-D1297 PolarHBondContact ND2-OD2 3.23Å; N1294-D1297 WeakPolarHBondContact O-CB 3.48Å; N1294-D1297 PolarHBondContact O-N 3.12Å; N1294-D1297 VanDerWaalsContact O-N 3.08Å; E1295-D1297 VanDerWaalsContact C-N 3.34Å; D1297-D1299 PolarHBondContact O-N 3.14Å; D1297-D1299 VanDerWaalsContact O-N 3.09Å; D1297-H1456 VanDerWaalsContact CG-CE1 3.47Å; D1297-H1456 IonicContact OD1-CE1 3.01Å; D1297-H1456 IonicContact OD1-ND1 3.1Å; D1297-H1456 IonicContact OD2-CE1 3.46Å; D1297-H1456 PolarHBondContact OD2-CE1 3.08Å; D1297-H1456 VanDerWaalsContact OD2-CE1 3.23Å; D1297-H1456 IonicContact OD2-ND1 3.15Å
1298R69.8Low72.1Confident101.4 Ų101.479 Ų7938%0.38339%0.393SS..  trans-52.2116.3179-158.4-173.3-173.1-161.10.9112.4G1131 E1296 F1300 E1305 D1309G1131-R1298 PolarHBondContact O-NH1 3.22Å; E1296-R1298 PolarHBondContact O-N 3.22Å; R1298-F1300 PolarHBondContact O-N 3.21Å; R1298-E1305 IonicContact CZ-OE2 2.87Å; R1298-E1305 IonicContact NE-OE2 3.46Å; R1298-E1305 PolarHBondContact NE-OE2 3.23Å; R1298-E1305 IonicContact NH2-OE2 3.05Å; R1298-E1305 PolarHBondContact NH2-OE2 3.19Å; R1298-D1309 IonicContact CZ-OD1 3.03Å; R1298-D1309 IonicContact CZ-OD2 3.1Å; R1298-D1309 VanDerWaalsContact CZ-OD2 3.32Å; R1298-D1309 VanDerWaalsContact NH1-CG 3.34Å; R1298-D1309 IonicContact NH1-OD1 2.98Å; R1298-D1309 PolarHBondContact NH1-OD1 3.06Å; R1298-D1309 IonicContact NH1-OD2 3.35Å; R1298-D1309 PolarHBondContact NH1-OD2 3.12Å; R1298-D1309 VanDerWaalsContact NH1-OD2 3.15Å; R1298-D1309 IonicContact NH2-OD1 2.73Å; R1298-D1309 IonicContact NH2-OD2 3.03Å; R1298-D1309 PolarHBondContact NH2-OD2 3.19Å
1299D76.3Confident73.2Confident35.4 Ų35.474.9 Ų74.919%0.18937%0.372CS..  trans-69.1119.7175.2-178.543000112.7D1297 V1301 S1302 T1303 H1460D1297-D1299 PolarHBondContact O-N 3.14Å; D1297-D1299 VanDerWaalsContact O-N 3.09Å; D1299-V1301 PolarHBondContact O-N 3.39Å; D1299-V1301 PolarHBondContact OD1-N 3.1Å; D1299-V1301 VanDerWaalsContact OD1-N 3.07Å; D1299-V1301 PolarHBondContact OD2-N 3.09Å; D1299-S1302 PolarHBondContact O-N 3.35Å; D1299-S1302 VanDerWaalsContact O-N 3.15Å; D1299-S1302 VanDerWaalsContact OD2-CA 3.32Å; D1299-S1302 WeakPolarHBondContact OD2-CA 3.3Å; D1299-S1302 VanDerWaalsContact OD2-CB 3.31Å; D1299-S1302 WeakPolarHBondContact OD2-CB 3.39Å; D1299-S1302 PolarHBondContact OD2-N 3.09Å; D1299-S1302 PolarHBondContact OD2-OG 3.07Å; D1299-T1303 PolarHBondContact O-N 3.49Å; D1299-T1303 VanDerWaalsContact O-N 3.17Å; D1299-T1303 PolarHBondContact O-OG1 3.19Å; D1299-T1303 VanDerWaalsContact O-OG1 3.07Å; D1299-T1303 PolarHBondContact OD2-N 3.19Å; D1299-T1303 PolarHBondContact OD2-OG1 2.87Å; D1299-H1460 IonicContact OD1-CG 2.86Å; D1299-H1460 IonicContact OD1-ND1 3.13Å; D1299-H1460 PolarHBondContact OD1-ND1 2.82Å
1300F81.1Confident74.3Confident2 Ų277.1 Ų77.11%0.00937%0.373CS..SBendtrans-102.9-2.2178.266.5-87.4000113.3R1298 T1303 K1304 D1309 R1312 H1313 F1316 S1457 H1460R1298-F1300 PolarHBondContact O-N 3.21Å; F1300-T1303 WeakPolarHBondContact CA-O 3.46Å; F1300-K1304 WeakPolarHBondContact O-CE 3.23Å; F1300-K1304 WeakPolarHBondContact O-CG 3.38Å; F1300-D1309 HydrophobicContact CB-CB 3.9Å; F1300-D1309 WeakPolarHBondContact CB-OD1 3.31Å; F1300-R1312 HydrophobicContact CB-CB 4.43Å; F1300-R1312 HydrophobicContact CD2-CB 3.56Å; F1300-R1312 HydrophobicContact CE2-CB 3.97Å; F1300-R1312 HydrophobicContact CG-CB 4.04Å; F1300-H1313 HydrophobicContact CD2-CB 4.44Å; F1300-F1316 HydrophobicContact CE2-CB 4.42Å; F1300-F1316 AromaticContact CE2-CD2 4Å; F1300-F1316 HydrophobicContact CE2-CD2 4.09Å; F1300-F1316 HydrophobicContact CZ-CB 4.41Å; F1300-F1316 HydrophobicContact CZ-CD2 4.08Å; F1300-S1457 WeakPolarHBondContact CZ-O 3.29Å; F1300-H1460 HydrophobicContact CE1-CB 3.84Å; F1300-H1460 AromaticContact CE1-CD2 3.77Å; F1300-H1460 AromaticContact CE1-CG 3.73Å; F1300-H1460 HydrophobicContact CZ-CB 4.04Å
1301V80.2Confident75.5Confident9.4 Ų9.478.3 Ų78.36%0.05738%0.377CS..SBendtrans-93.3-50.9-177-175.80000111.3D1299 K1304 H1460 V1461 D1464D1299-V1301 PolarHBondContact O-N 3.39Å; D1299-V1301 PolarHBondContact OD1-N 3.1Å; D1299-V1301 VanDerWaalsContact OD1-N 3.07Å; D1299-V1301 PolarHBondContact OD2-N 3.09Å; V1301-K1304 VanDerWaalsContact O-CE 3.22Å; V1301-K1304 WeakPolarHBondContact O-CE 3.34Å; V1301-K1304 PolarHBondContact O-NZ 3.18Å; V1301-K1304 VanDerWaalsContact O-NZ 3.07Å; V1301-H1460 HydrophobicContact CG2-CB 3.84Å; V1301-V1461 HydrophobicContact CG2-CG2 4.37Å; V1301-D1464 HydrophobicContact CG1-CB 3.81Å; V1301-D1464 WeakPolarHBondContact CG1-OD2 3.38Å
1302S74.9Confident76.6Confident73.2 Ų73.275.4 Ų75.451%0.51236%0.362SS..SBendtrans-86.5-44.7179.2-178.20000112D1299D1299-S1302 PolarHBondContact O-N 3.35Å; D1299-S1302 VanDerWaalsContact O-N 3.15Å; D1299-S1302 VanDerWaalsContact OD2-CA 3.32Å; D1299-S1302 WeakPolarHBondContact OD2-CA 3.3Å; D1299-S1302 VanDerWaalsContact OD2-CB 3.31Å; D1299-S1302 WeakPolarHBondContact OD2-CB 3.39Å; D1299-S1302 PolarHBondContact OD2-N 3.09Å; D1299-S1302 PolarHBondContact OD2-OG 3.07Å
1303T74.9Confident77.6Confident56.6 Ų56.672.3 Ų72.335%0.34735%0.345SS..  trans-103.1100.6-179.644.40000111.7D1299 F1300 E1305D1299-T1303 PolarHBondContact O-N 3.49Å; D1299-T1303 VanDerWaalsContact O-N 3.17Å; D1299-T1303 PolarHBondContact O-OG1 3.19Å; D1299-T1303 VanDerWaalsContact O-OG1 3.07Å; D1299-T1303 PolarHBondContact OD2-N 3.19Å; D1299-T1303 PolarHBondContact OD2-OG1 2.87Å; F1300-T1303 WeakPolarHBondContact CA-O 3.46Å; T1303-E1305 PolarHBondContact O-N 3.2Å; T1303-E1305 VanDerWaalsContact O-N 3.13Å
1304K80.2Confident78.6Confident60.8 Ų60.876 Ų7626%0.26436%0.363SS..  trans-10281.2-176.7-70.8167.3178.8152.60111.4F1300 V1301 Y1310 H1313F1300-K1304 WeakPolarHBondContact O-CE 3.23Å; F1300-K1304 WeakPolarHBondContact O-CG 3.38Å; V1301-K1304 VanDerWaalsContact O-CE 3.22Å; V1301-K1304 WeakPolarHBondContact O-CE 3.34Å; V1301-K1304 PolarHBondContact O-NZ 3.18Å; V1301-K1304 VanDerWaalsContact O-NZ 3.07Å; K1304-Y1310 HydrophobicContact CB-CD2 4.35Å; K1304-Y1310 HydrophobicContact CB-CE1 4.36Å; K1304-Y1310 HydrophobicContact CB-CE2 3.88Å; K1304-Y1310 HydrophobicContact CD-CD1 4.44Å; K1304-Y1310 HydrophobicContact CD-CE1 4.28Å; K1304-Y1310 WeakPolarHBondContact O-CE2 3.47Å; K1304-H1313 VanDerWaalsContact CE-CD2 3.46Å; K1304-H1313 WeakPolarHBondContact CE-CD2 3.42Å; K1304-H1313 VanDerWaalsContact CE-CG 3.47Å; K1304-H1313 PolarHBondContact NZ-CD2 3.17Å; K1304-H1313 VanDerWaalsContact NZ-CD2 3.32Å; K1304-H1313 PolarHBondContact NZ-CE1 3.26Å; K1304-H1313 VanDerWaalsContact NZ-CE1 3.28Å; K1304-H1313 VanDerWaalsContact NZ-CG 3.32Å; K1304-H1313 PolarHBondContact NZ-ND1 3.09Å; K1304-H1313 PolarHBondContact NZ-NE2 3.14Å; K1304-H1313 VanDerWaalsContact NZ-NE2 3.11Å
1305E78.4Confident79.9Confident125.2 Ų125.274.5 Ų74.559%0.58535%0.354SS*.  trans-91.8-36.3-174.6-61.1177154.100113.4R1298 T1303 D1309R1298-E1305 IonicContact CZ-OE2 2.87Å; R1298-E1305 IonicContact NE-OE2 3.46Å; R1298-E1305 PolarHBondContact NE-OE2 3.23Å; R1298-E1305 IonicContact NH2-OE2 3.05Å; R1298-E1305 PolarHBondContact NH2-OE2 3.19Å; T1303-E1305 PolarHBondContact O-N 3.2Å; T1303-E1305 VanDerWaalsContact O-N 3.13Å; E1305-D1309 PolarHBondContact N-OD2 3.18Å
1306S79.6Confident81.2Confident28.6 Ų28.667.3 Ų67.320%0.232%0.32CS..SBendtrans-109.5152.1-178.5-175.40000112.1L1308 D1309 Y1310S1306-L1308 PolarHBondContact O-N 3.31Å; S1306-L1308 VanDerWaalsContact O-N 3.11Å; S1306-L1308 WeakPolarHBondContact OG-CB 3.32Å; S1306-L1308 PolarHBondContact OG-N 3.25Å; S1306-D1309 WeakPolarHBondContact CA-OD2 3.35Å; S1306-D1309 VanDerWaalsContact CB-OD2 3.26Å; S1306-D1309 WeakPolarHBondContact CB-OD2 3.35Å; S1306-D1309 PolarHBondContact N-OD2 3.2Å; S1306-D1309 WeakPolarHBondContact O-CA 3.43Å; S1306-D1309 WeakPolarHBondContact O-CB 3.4Å; S1306-D1309 PolarHBondContact O-N 3.07Å; S1306-Y1310 WeakPolarHBondContact O-CD2 3.32Å; S1306-Y1310 PolarHBondContact O-N 3.2Å
1307Y83.8Confident82.5Confident178.4 Ų178.460.4 Ų60.470%0.729%0.286SS*.Hα-helixtrans-54.9-28.3167.1-88.2-84.5000112.5D1309 Y1310 M1311Y1307-D1309 VanDerWaalsContact C-N 3.31Å; Y1307-D1309 PolarHBondContact O-N 2.93Å; Y1307-Y1310 PolarHBondContact O-N 3.21Å; Y1307-M1311 HydrophobicContact CD1-CG 4.28Å; Y1307-M1311 HydrophobicContact CE1-CG 4.03Å; Y1307-M1311 HydrophobicContact CE1-SD 4.34Å; Y1307-M1311 WeakPolarHBondContact O-CG 3.4Å; Y1307-M1311 PolarHBondContact O-N 3.05Å; Y1307-M1311 VanDerWaalsContact O-N 3.1Å
1308L86.6Confident83.5Confident4.2 Ų4.263.6 Ų63.62%0.02229%0.294CS..Hα-helixtrans-62.5-36.4172.3173.6136.8000112.2M1130 D1133 V1137 S1306 M1311 R1312M1130-L1308 WeakPolarHBondContact O-CD2 3.44Å; D1133-L1308 VanDerWaalsContact C-CD1 3.47Å; V1137-L1308 HydrophobicContact CG2-CD1 3.49Å; V1137-L1308 VanDerWaalsContact CG2-CD1 3.45Å; V1137-L1308 HydrophobicContact CG2-CD2 3.96Å; V1137-L1308 HydrophobicContact CG2-CG 4.38Å; S1306-L1308 PolarHBondContact O-N 3.31Å; S1306-L1308 VanDerWaalsContact O-N 3.11Å; S1306-L1308 WeakPolarHBondContact OG-CB 3.32Å; S1306-L1308 PolarHBondContact OG-N 3.25Å; L1308-M1311 PolarHBondContact O-N 3.09Å; L1308-R1312 HydrophobicContact CD1-CG 4.07Å; L1308-R1312 HydrophobicContact CD2-CG 4.42Å; L1308-R1312 VanDerWaalsContact CD2-NE 3.35Å; L1308-R1312 HydrophobicContact CG-CG 4.35Å; L1308-R1312 WeakPolarHBondContact O-CB 3.44Å; L1308-R1312 VanDerWaalsContact O-CG 3.29Å; L1308-R1312 WeakPolarHBondContact O-CG 3.37Å; L1308-R1312 PolarHBondContact O-N 3.05Å
1309D86.4Confident84.6Confident2.6 Ų2.659.5 Ų59.51%0.01428%0.281CS..Hα-helixtrans-74.3-39.3180-52.7-43.5000111R1298 F1300 E1305 S1306 Y1307 M1311 R1312 H1313R1298-D1309 IonicContact CZ-OD1 3.03Å; R1298-D1309 IonicContact CZ-OD2 3.1Å; R1298-D1309 VanDerWaalsContact CZ-OD2 3.32Å; R1298-D1309 VanDerWaalsContact NH1-CG 3.34Å; R1298-D1309 IonicContact NH1-OD1 2.98Å; R1298-D1309 PolarHBondContact NH1-OD1 3.06Å; R1298-D1309 IonicContact NH1-OD2 3.35Å; R1298-D1309 PolarHBondContact NH1-OD2 3.12Å; R1298-D1309 VanDerWaalsContact NH1-OD2 3.15Å; R1298-D1309 IonicContact NH2-OD1 2.73Å; R1298-D1309 IonicContact NH2-OD2 3.03Å; R1298-D1309 PolarHBondContact NH2-OD2 3.19Å; F1300-D1309 HydrophobicContact CB-CB 3.9Å; F1300-D1309 WeakPolarHBondContact CB-OD1 3.31Å; E1305-D1309 PolarHBondContact N-OD2 3.18Å; S1306-D1309 WeakPolarHBondContact CA-OD2 3.35Å; S1306-D1309 VanDerWaalsContact CB-OD2 3.26Å; S1306-D1309 WeakPolarHBondContact CB-OD2 3.35Å; S1306-D1309 PolarHBondContact N-OD2 3.2Å; S1306-D1309 WeakPolarHBondContact O-CA 3.43Å; S1306-D1309 WeakPolarHBondContact O-CB 3.4Å; S1306-D1309 PolarHBondContact O-N 3.07Å; Y1307-D1309 VanDerWaalsContact C-N 3.31Å; Y1307-D1309 PolarHBondContact O-N 2.93Å; D1309-M1311 VanDerWaalsContact C-N 3.33Å; D1309-M1311 PolarHBondContact O-N 3.33Å; D1309-R1312 PolarHBondContact O-N 3.25Å; D1309-H1313 VanDerWaalsContact O-CB 3.29Å; D1309-H1313 WeakPolarHBondContact O-CB 3.36Å; D1309-H1313 PolarHBondContact O-N 3.17Å
1310Y87.8Confident85.3Confident117 Ų11757.9 Ų57.946%0.45927%0.272SS..Hα-helixtrans-57.5-45168.9-77-88.1000111.9K1304 S1306 Y1307 H1313 L1314K1304-Y1310 HydrophobicContact CB-CD2 4.35Å; K1304-Y1310 HydrophobicContact CB-CE1 4.36Å; K1304-Y1310 HydrophobicContact CB-CE2 3.88Å; K1304-Y1310 HydrophobicContact CD-CD1 4.44Å; K1304-Y1310 HydrophobicContact CD-CE1 4.28Å; K1304-Y1310 WeakPolarHBondContact O-CE2 3.47Å; S1306-Y1310 WeakPolarHBondContact O-CD2 3.32Å; S1306-Y1310 PolarHBondContact O-N 3.2Å; Y1307-Y1310 PolarHBondContact O-N 3.21Å; Y1310-H1313 PolarHBondContact O-N 3.26Å; Y1310-L1314 WeakPolarHBondContact O-CB 3.34Å; Y1310-L1314 PolarHBondContact O-N 3.24Å
1311M87.3Confident85.9Confident84.8 Ų84.862.3 Ų62.342%0.41829%0.289SS..Hα-helixtrans-67.7-39.9176.9-72.3-62.1-63.600112.7Y1307 L1308 D1309 L1314 I1315Y1307-M1311 HydrophobicContact CD1-CG 4.28Å; Y1307-M1311 HydrophobicContact CE1-CG 4.03Å; Y1307-M1311 HydrophobicContact CE1-SD 4.34Å; Y1307-M1311 WeakPolarHBondContact O-CG 3.4Å; Y1307-M1311 PolarHBondContact O-N 3.05Å; Y1307-M1311 VanDerWaalsContact O-N 3.1Å; L1308-M1311 PolarHBondContact O-N 3.09Å; D1309-M1311 VanDerWaalsContact C-N 3.33Å; D1309-M1311 PolarHBondContact O-N 3.33Å; M1311-L1314 PolarHBondContact O-N 3.18Å; M1311-L1314 HydrophobicContact SD-CD2 4.44Å; M1311-I1315 WeakPolarHBondContact O-CB 3.28Å; M1311-I1315 VanDerWaalsContact O-CG1 3.29Å; M1311-I1315 WeakPolarHBondContact O-CG1 3.31Å; M1311-I1315 PolarHBondContact O-N 3.07Å
1312R88.8Confident86.5Confident47.6 Ų47.665.2 Ų65.218%0.1831%0.306CS..Hα-helixtrans-62-46173.7-76.9176.3176.2-164.3-0111.3M1130 F1300 L1308 D1309 I1315 F1316M1130-R1312 PolarHBondContact O-NH2 3.25Å; F1300-R1312 HydrophobicContact CB-CB 4.43Å; F1300-R1312 HydrophobicContact CD2-CB 3.56Å; F1300-R1312 HydrophobicContact CE2-CB 3.97Å; F1300-R1312 HydrophobicContact CG-CB 4.04Å; L1308-R1312 HydrophobicContact CD1-CG 4.07Å; L1308-R1312 HydrophobicContact CD2-CG 4.42Å; L1308-R1312 VanDerWaalsContact CD2-NE 3.35Å; L1308-R1312 HydrophobicContact CG-CG 4.35Å; L1308-R1312 WeakPolarHBondContact O-CB 3.44Å; L1308-R1312 VanDerWaalsContact O-CG 3.29Å; L1308-R1312 WeakPolarHBondContact O-CG 3.37Å; L1308-R1312 PolarHBondContact O-N 3.05Å; D1309-R1312 PolarHBondContact O-N 3.25Å; R1312-I1315 PolarHBondContact O-N 3.26Å; R1312-F1316 HydrophobicContact CB-CD2 4.16Å; R1312-F1316 HydrophobicContact CB-CE2 4.35Å; R1312-F1316 HydrophobicContact CG-CE2 4.29Å; R1312-F1316 WeakPolarHBondContact O-CB 3.24Å; R1312-F1316 VanDerWaalsContact O-CD2 3.23Å; R1312-F1316 WeakPolarHBondContact O-CD2 3.37Å; R1312-F1316 PolarHBondContact O-N 2.97Å
1313H88.3Confident87.4Confident33 Ų3361.8 Ų61.815%0.15328%0.282CS..Hα-helixtrans-63.3-44.7177.2-179.674000111.5F1300 K1304 D1309 Y1310 I1315 Y1317F1300-H1313 HydrophobicContact CD2-CB 4.44Å; K1304-H1313 VanDerWaalsContact CE-CD2 3.46Å; K1304-H1313 WeakPolarHBondContact CE-CD2 3.42Å; K1304-H1313 VanDerWaalsContact CE-CG 3.47Å; K1304-H1313 PolarHBondContact NZ-CD2 3.17Å; K1304-H1313 VanDerWaalsContact NZ-CD2 3.32Å; K1304-H1313 PolarHBondContact NZ-CE1 3.26Å; K1304-H1313 VanDerWaalsContact NZ-CE1 3.28Å; K1304-H1313 VanDerWaalsContact NZ-CG 3.32Å; K1304-H1313 PolarHBondContact NZ-ND1 3.09Å; K1304-H1313 PolarHBondContact NZ-NE2 3.14Å; K1304-H1313 VanDerWaalsContact NZ-NE2 3.11Å; D1309-H1313 VanDerWaalsContact O-CB 3.29Å; D1309-H1313 WeakPolarHBondContact O-CB 3.36Å; D1309-H1313 PolarHBondContact O-N 3.17Å; Y1310-H1313 PolarHBondContact O-N 3.26Å; H1313-I1315 VanDerWaalsContact C-N 3.34Å; H1313-I1315 PolarHBondContact O-N 3.02Å; H1313-Y1317 AromaticContact CE1-CD2 3.93Å; H1313-Y1317 AromaticContact CE1-CG 3.95Å; H1313-Y1317 WeakPolarHBondContact O-CB 3.38Å; H1313-Y1317 PolarHBondContact O-N 3.11Å
1314L89.2Confident88.2Confident96.2 Ų96.259.2 Ų59.250%0.50427%0.266SS..Hα-helixtrans-56.4-48.4174.318062000111.6Y1310 M1311 W1318Y1310-L1314 WeakPolarHBondContact O-CB 3.34Å; Y1310-L1314 PolarHBondContact O-N 3.24Å; M1311-L1314 PolarHBondContact O-N 3.18Å; M1311-L1314 HydrophobicContact SD-CD2 4.44Å; L1314-W1318 HydrophobicContact CD1-CB 4.47Å; L1314-W1318 HydrophobicContact CD1-CG 4.46Å; L1314-W1318 WeakPolarHBondContact O-CB 3.32Å; L1314-W1318 PolarHBondContact O-N 3.16Å
1315I90.7Very high88.8Confident68.2 Ų68.258.7 Ų58.735%0.3527%0.274SS..Hα-helixtrans-68.7-54.8-178.5-67.4166.1000111.3M1311 R1312 H1313 Y1317 S1319 F1448M1311-I1315 WeakPolarHBondContact O-CB 3.28Å; M1311-I1315 VanDerWaalsContact O-CG1 3.29Å; M1311-I1315 WeakPolarHBondContact O-CG1 3.31Å; M1311-I1315 PolarHBondContact O-N 3.07Å; R1312-I1315 PolarHBondContact O-N 3.26Å; H1313-I1315 VanDerWaalsContact C-N 3.34Å; H1313-I1315 PolarHBondContact O-N 3.02Å; I1315-Y1317 PolarHBondContact O-N 3.05Å; I1315-S1319 WeakPolarHBondContact O-CB 3.27Å; I1315-S1319 PolarHBondContact O-N 3.24Å; I1315-S1319 PolarHBondContact O-OG 3.2Å; I1315-S1319 VanDerWaalsContact O-OG 3.08Å; I1315-F1448 HydrophobicContact CG2-CE1 4.28Å; I1315-F1448 HydrophobicContact CG2-CZ 4.13Å
1316F90.6Very high89.6Confident36.6 Ų36.653.8 Ų53.816%0.16125%0.252CS..Hα-helixtrans-80-22.4-169.9-65.1-61000114.7F1300 R1312 V1452 S1457 V1461F1300-F1316 HydrophobicContact CE2-CB 4.42Å; F1300-F1316 AromaticContact CE2-CD2 4Å; F1300-F1316 HydrophobicContact CE2-CD2 4.09Å; F1300-F1316 HydrophobicContact CZ-CB 4.41Å; F1300-F1316 HydrophobicContact CZ-CD2 4.08Å; R1312-F1316 HydrophobicContact CB-CD2 4.16Å; R1312-F1316 HydrophobicContact CB-CE2 4.35Å; R1312-F1316 HydrophobicContact CG-CE2 4.29Å; R1312-F1316 WeakPolarHBondContact O-CB 3.24Å; R1312-F1316 VanDerWaalsContact O-CD2 3.23Å; R1312-F1316 WeakPolarHBondContact O-CD2 3.37Å; R1312-F1316 PolarHBondContact O-N 2.97Å; F1316-V1452 HydrophobicContact CD1-CG1 4.1Å; F1316-V1452 HydrophobicContact CD1-CG2 4.23Å; F1316-V1452 HydrophobicContact CE1-CG2 4.42Å; F1316-S1457 VanDerWaalsContact CE2-CB 3.42Å; F1316-S1457 WeakPolarHBondContact CE2-OG 3.21Å; F1316-S1457 WeakPolarHBondContact CZ-OG 3.5Å; F1316-V1461 HydrophobicContact CB-CG2 4Å
1317Y88.6Confident90.3Very high46.4 Ų46.452.5 Ų52.518%0.18224%0.243CC..Hα-helixtrans-91.8-44.5177.9-165.8-87000112.1H1313 I1315 V1461 L1465 Q1468H1313-Y1317 AromaticContact CE1-CD2 3.93Å; H1313-Y1317 AromaticContact CE1-CG 3.95Å; H1313-Y1317 WeakPolarHBondContact O-CB 3.38Å; H1313-Y1317 PolarHBondContact O-N 3.11Å; I1315-Y1317 PolarHBondContact O-N 3.05Å; Y1317-V1461 HydrophobicContact CD2-CG1 4.09Å; Y1317-L1465 HydrophobicContact CE2-CD2 3.85Å; Y1317-Q1468 PolarHBondContact OH-OE1 3.16Å; Y1317-Q1468 VanDerWaalsContact OH-OE1 3.13Å
1318W91.1Very high90.7Very high128.4 Ų128.446.6 Ų46.649%0.48622%0.223SC..Hα-helixtrans-94.3-15.8-170.8-65.288.2000115.1L1314 Y1320 W1321 V1322L1314-W1318 HydrophobicContact CD1-CB 4.47Å; L1314-W1318 HydrophobicContact CD1-CG 4.46Å; L1314-W1318 WeakPolarHBondContact O-CB 3.32Å; L1314-W1318 PolarHBondContact O-N 3.16Å; W1318-Y1320 PolarHBondContact O-N 3.35Å; W1318-Y1320 VanDerWaalsContact O-N 3.13Å; W1318-W1321 AromaticContact CE3-CD1 3.97Å; W1318-W1321 PolarHBondContact O-N 3.24Å; W1318-W1321 VanDerWaalsContact O-N 3.16Å; W1318-V1322 WeakPolarHBondContact O-CG2 3.26Å; W1318-V1322 PolarHBondContact O-N 3.22Å; W1318-V1322 VanDerWaalsContact O-N 3.12Å
1319S91.1Very high91Very high15 Ų1549.3 Ų49.311%0.10524%0.24CC..Hα-helixtrans-59.2-29.1-177.966.10000113.7I1315 V1322 S1323 Q1449I1315-S1319 WeakPolarHBondContact O-CB 3.27Å; I1315-S1319 PolarHBondContact O-N 3.24Å; I1315-S1319 PolarHBondContact O-OG 3.2Å; I1315-S1319 VanDerWaalsContact O-OG 3.08Å; S1319-V1322 PolarHBondContact O-N 3.11Å; S1319-S1323 VanDerWaalsContact O-CB 3.3Å; S1319-S1323 WeakPolarHBondContact O-CB 3.33Å; S1319-S1323 PolarHBondContact O-N 2.87Å; S1319-S1323 PolarHBondContact O-OG 3.19Å; S1319-Q1449 VanDerWaalsContact C-OE1 3.26Å; S1319-Q1449 VanDerWaalsContact CB-OE1 3.24Å; S1319-Q1449 PolarHBondContact O-OE1 2.99Å; S1319-Q1449 PolarHBondContact OG-OE1 3.04Å
1320Y92Very high91.3Very high2.6 Ų2.649.2 Ų49.21%0.0124%0.24CC..Hα-helixtrans-58.9-55.3174.5174.1-103.8000111.8W1318 V1322 S1323 L1324 Y1349 G1353 L1357 W1368 F1453W1318-Y1320 PolarHBondContact O-N 3.35Å; W1318-Y1320 VanDerWaalsContact O-N 3.13Å; Y1320-V1322 VanDerWaalsContact C-N 3.31Å; Y1320-V1322 PolarHBondContact O-N 3.17Å; Y1320-S1323 WeakPolarHBondContact O-CB 3.45Å; Y1320-S1323 PolarHBondContact O-N 3.24Å; Y1320-S1323 VanDerWaalsContact O-N 3.11Å; Y1320-S1323 PolarHBondContact O-OG 3.28Å; Y1320-L1324 HydrophobicContact CD1-CD1 4.4Å; Y1320-L1324 HydrophobicContact CE1-CD1 3.68Å; Y1320-L1324 HydrophobicContact CE1-CG 4.32Å; Y1320-L1324 HydrophobicContact CE2-CD1 4.18Å; Y1320-L1324 HydrophobicContact CE2-CG 4.4Å; Y1320-L1324 PolarHBondContact O-N 3.26Å; Y1320-Y1349 PolarHBondContact OH-O 2.98Å; Y1320-G1353 PolarHBondContact OH-O 3.14Å; Y1320-L1357 HydrophobicContact CD1-CD1 3.72Å; Y1320-L1357 HydrophobicContact CD1-CD2 4.47Å; Y1320-L1357 HydrophobicContact CD1-CG 4.3Å; Y1320-L1357 HydrophobicContact CD2-CD1 3.96Å; Y1320-L1357 HydrophobicContact CD2-CD2 4.02Å; Y1320-L1357 HydrophobicContact CD2-CG 4.43Å; Y1320-L1357 HydrophobicContact CE1-CD1 3.67Å; Y1320-L1357 VanDerWaalsContact CE1-CD1 3.47Å; Y1320-L1357 HydrophobicContact CE1-CG 4.29Å; Y1320-L1357 HydrophobicContact CE2-CD1 3.74Å; Y1320-L1357 HydrophobicContact CE2-CD2 4.37Å; Y1320-L1357 HydrophobicContact CE2-CG 4.4Å; Y1320-L1357 HydrophobicContact CG-CD1 3.98Å; Y1320-L1357 HydrophobicContact CG-CD2 4.22Å; Y1320-L1357 HydrophobicContact CG-CG 4.4Å; Y1320-L1357 VanDerWaalsContact CZ-CD1 3.41Å; Y1320-W1368 HydrophobicContact CD2-CH2 4.48Å; Y1320-W1368 HydrophobicContact CD2-CZ3 4.26Å; Y1320-W1368 AromaticContact CE2-CZ3 3.97Å; Y1320-W1368 HydrophobicContact CE2-CZ3 3.97Å; Y1320-F1453 AromaticContact CD2-CZ 3.96Å; Y1320-F1453 HydrophobicContact CD2-CZ 3.97Å; Y1320-F1453 HydrophobicContact CE2-CZ 4.47Å
1321W93.1Very high91.4Very high93.4 Ų93.444 Ų4435%0.35422%0.221SC..Hα-helixtrans-63.2-39.6-179.8-61.3110.9000111.9W1318 S1323 L1324 A1325 L1350W1318-W1321 AromaticContact CE3-CD1 3.97Å; W1318-W1321 PolarHBondContact O-N 3.24Å; W1318-W1321 VanDerWaalsContact O-N 3.16Å; W1321-S1323 VanDerWaalsContact C-N 3.33Å; W1321-S1323 PolarHBondContact O-N 2.7Å; W1321-L1324 PolarHBondContact O-N 3.08Å; W1321-A1325 WeakPolarHBondContact O-CB 3.39Å; W1321-A1325 PolarHBondContact O-N 3.31Å; W1321-L1350 HydrophobicContact CE3-CD2 4.48Å; W1321-L1350 HydrophobicContact CZ3-CD2 4.33Å
1322V93.2Very high91.6Very high70.4 Ų70.444.5 Ų44.543%0.42723%0.229SC..Hα-helixtrans-61.7-42.9173.4176.60000111.1W1318 S1319 Y1320 A1325 V1326 F1445W1318-V1322 WeakPolarHBondContact O-CG2 3.26Å; W1318-V1322 PolarHBondContact O-N 3.22Å; W1318-V1322 VanDerWaalsContact O-N 3.12Å; S1319-V1322 PolarHBondContact O-N 3.11Å; Y1320-V1322 VanDerWaalsContact C-N 3.31Å; Y1320-V1322 PolarHBondContact O-N 3.17Å; V1322-A1325 PolarHBondContact O-N 3.27Å; V1322-V1326 WeakPolarHBondContact O-CG2 3.36Å; V1322-V1326 PolarHBondContact O-N 2.98Å; V1322-F1445 HydrophobicContact CG1-CD1 4.38Å; V1322-F1445 HydrophobicContact CG1-CE1 4.02Å
1323S93Very high91.6Very high1.4 Ų1.445.4 Ų45.41%0.0124%0.239CC..Hα-helixtrans-65.4-40.617930.80000112.4S1319 Y1320 W1321 A1325 V1326 V1327 W1368S1319-S1323 VanDerWaalsContact O-CB 3.3Å; S1319-S1323 WeakPolarHBondContact O-CB 3.33Å; S1319-S1323 PolarHBondContact O-N 2.87Å; S1319-S1323 PolarHBondContact O-OG 3.19Å; Y1320-S1323 WeakPolarHBondContact O-CB 3.45Å; Y1320-S1323 PolarHBondContact O-N 3.24Å; Y1320-S1323 VanDerWaalsContact O-N 3.11Å; Y1320-S1323 PolarHBondContact O-OG 3.28Å; W1321-S1323 VanDerWaalsContact C-N 3.33Å; W1321-S1323 PolarHBondContact O-N 2.7Å; S1323-A1325 VanDerWaalsContact C-N 3.34Å; S1323-V1326 PolarHBondContact O-N 3.08Å; S1323-V1327 WeakPolarHBondContact O-CG2 3.29Å; S1323-V1327 PolarHBondContact O-N 3.33Å; S1323-W1368 WeakPolarHBondContact OG-CH2 3.36Å
1324L92.7Very high91.5Very high2.2 Ų2.246.2 Ų46.21%0.01224%0.241CC..Hα-helixtrans-66.1-38.6173.8-68-172.4000112.4Y1320 W1321 V1326 V1327 L1328 Y1349 L1350 W1368Y1320-L1324 HydrophobicContact CD1-CD1 4.4Å; Y1320-L1324 HydrophobicContact CE1-CD1 3.68Å; Y1320-L1324 HydrophobicContact CE1-CG 4.32Å; Y1320-L1324 HydrophobicContact CE2-CD1 4.18Å; Y1320-L1324 HydrophobicContact CE2-CG 4.4Å; Y1320-L1324 PolarHBondContact O-N 3.26Å; W1321-L1324 PolarHBondContact O-N 3.08Å; L1324-V1326 VanDerWaalsContact C-N 3.33Å; L1324-V1326 PolarHBondContact O-N 3.24Å; L1324-V1327 PolarHBondContact O-N 3.09Å; L1324-L1328 WeakPolarHBondContact O-CB 3.34Å; L1324-L1328 PolarHBondContact O-N 3.4Å; L1324-Y1349 HydrophobicContact CD2-CG 4.22Å; L1324-L1350 HydrophobicContact CB-CD2 4.4Å; L1324-L1350 HydrophobicContact CD1-CD2 4.03Å; L1324-L1350 HydrophobicContact CD1-CG 4.36Å; L1324-W1368 HydrophobicContact CD2-CH2 4.07Å; L1324-W1368 HydrophobicContact CD2-CZ3 4.1Å
1325A93.6Very high91.3Very high50.6 Ų50.648.6 Ų48.642%0.41825%0.253SS..Hα-helixtrans-63.7-38.917500000112W1321 V1322 S1323 L1328 V1329W1321-A1325 WeakPolarHBondContact O-CB 3.39Å; W1321-A1325 PolarHBondContact O-N 3.31Å; V1322-A1325 PolarHBondContact O-N 3.27Å; S1323-A1325 VanDerWaalsContact C-N 3.34Å; A1325-L1328 WeakPolarHBondContact O-CB 3.41Å; A1325-L1328 PolarHBondContact O-N 3.05Å; A1325-V1329 VanDerWaalsContact O-CG2 3.32Å; A1325-V1329 WeakPolarHBondContact O-CG2 3.34Å; A1325-V1329 PolarHBondContact O-N 3.24Å
1326V93.9Very high91.1Very high22.4 Ų22.446 Ų4614%0.13624%0.24CC..Hα-helixtrans-64.7-45.1173.51720000111.2V1322 S1323 L1324 L1328 V1329 T1330 V1441 C1442 F1445V1322-V1326 WeakPolarHBondContact O-CG2 3.36Å; V1322-V1326 PolarHBondContact O-N 2.98Å; S1323-V1326 PolarHBondContact O-N 3.08Å; L1324-V1326 VanDerWaalsContact C-N 3.33Å; L1324-V1326 PolarHBondContact O-N 3.24Å; V1326-L1328 VanDerWaalsContact C-N 3.31Å; V1326-L1328 PolarHBondContact O-N 3.17Å; V1326-V1329 PolarHBondContact O-N 3.28Å; V1326-T1330 WeakPolarHBondContact O-CG2 3.41Å; V1326-T1330 PolarHBondContact O-N 3.21Å; V1326-T1330 PolarHBondContact O-OG1 3.2Å; V1326-V1441 HydrophobicContact CG1-CG1 4.33Å; V1326-C1442 HydrophobicContact CG1-CB 4.26Å; V1326-F1445 HydrophobicContact CB-CD2 4.39Å; V1326-F1445 HydrophobicContact CG1-CB 4.45Å; V1326-F1445 HydrophobicContact CG1-CD2 3.99Å; V1326-F1445 HydrophobicContact CG1-CG 4.47Å; V1326-F1445 HydrophobicContact CG2-CD2 3.87Å; V1326-F1445 HydrophobicContact CG2-CE2 4.06Å; V1326-F1445 HydrophobicContact CG2-CG 4.16Å; V1326-F1445 HydrophobicContact CG2-CZ 4.46Å
1327V93.6Very high91.1Very high2 Ų248 Ų481%0.01225%0.252CS..Hα-helixtrans-58.1-44.5175174.70000110.8S1323 L1324 T1330 G1331 Y1342 I1371 I1446S1323-V1327 WeakPolarHBondContact O-CG2 3.29Å; S1323-V1327 PolarHBondContact O-N 3.33Å; L1324-V1327 PolarHBondContact O-N 3.09Å; V1327-T1330 WeakPolarHBondContact CA-OG1 3.3Å; V1327-T1330 PolarHBondContact O-N 3.14Å; V1327-T1330 PolarHBondContact O-OG1 3.21Å; V1327-G1331 PolarHBondContact O-N 3.28Å; V1327-G1331 VanDerWaalsContact O-N 3.13Å; V1327-Y1342 HydrophobicContact CG1-CD1 4.35Å; V1327-I1371 HydrophobicContact CG2-CG2 4.37Å; V1327-I1446 HydrophobicContact CG2-CG2 3.91Å
1328L93.9Very high91.2Very high53.4 Ų53.446.9 Ų46.928%0.2825%0.248SC..Hα-helixtrans-58.3-51.1175.6-171.468.5000111.4L1324 A1325 V1326 T1330 G1331 V1332 M1343 S1346 F1347 L1350L1324-L1328 WeakPolarHBondContact O-CB 3.34Å; L1324-L1328 PolarHBondContact O-N 3.4Å; A1325-L1328 WeakPolarHBondContact O-CB 3.41Å; A1325-L1328 PolarHBondContact O-N 3.05Å; V1326-L1328 VanDerWaalsContact C-N 3.31Å; V1326-L1328 PolarHBondContact O-N 3.17Å; L1328-T1330 VanDerWaalsContact C-N 3.3Å; L1328-T1330 PolarHBondContact O-N 3.2Å; L1328-G1331 CarbonylContact O-C 3.59Å; L1328-G1331 WeakPolarHBondContact O-CA 3.45Å; L1328-G1331 PolarHBondContact O-N 3.09Å; L1328-V1332 HydrophobicContact CD1-CG2 4.29Å; L1328-V1332 HydrophobicContact CG-CG2 4.47Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.4Å; L1328-V1332 PolarHBondContact O-N 3.09Å; L1328-V1332 VanDerWaalsContact O-N 3.12Å; L1328-M1343 HydrophobicContact CB-CE 4.45Å; L1328-M1343 HydrophobicContact CD1-CE 3.56Å; L1328-M1343 VanDerWaalsContact CD1-CE 3.43Å; L1328-M1343 HydrophobicContact CD1-SD 4Å; L1328-M1343 HydrophobicContact CG-CE 3.91Å; L1328-M1343 VanDerWaalsContact O-CE 3.22Å; L1328-M1343 WeakPolarHBondContact O-CE 3.34Å; L1328-S1346 WeakPolarHBondContact CB-OG 3.28Å; L1328-S1346 VanDerWaalsContact CD1-OG 3.29Å; L1328-S1346 WeakPolarHBondContact CD1-OG 3.32Å; L1328-F1347 HydrophobicContact CD1-CE1 4.31Å; L1328-L1350 HydrophobicContact CD1-CD1 4.25Å; L1328-L1350 HydrophobicContact CD2-CD1 4.46Å
1329V93.1Very high91.1Very high61.2 Ų61.240.9 Ų40.937%0.37123%0.226SC..Hα-helixtrans-56.6-42.8177.7168.20000111.2A1325 V1326 G1331 V1332 V1333 W1438A1325-V1329 VanDerWaalsContact O-CG2 3.32Å; A1325-V1329 WeakPolarHBondContact O-CG2 3.34Å; A1325-V1329 PolarHBondContact O-N 3.24Å; V1326-V1329 PolarHBondContact O-N 3.28Å; V1329-G1331 VanDerWaalsContact C-N 3.25Å; V1329-G1331 PolarHBondContact O-N 3.36Å; V1329-V1332 PolarHBondContact O-N 3.34Å; V1329-V1332 VanDerWaalsContact O-N 3.12Å; V1329-V1333 HydrophobicContact CG1-CG2 3.81Å; V1329-V1333 VanDerWaalsContact O-CG2 3.28Å; V1329-V1333 WeakPolarHBondContact O-CG2 3.36Å; V1329-V1333 PolarHBondContact O-N 3.13Å; V1329-W1438 HydrophobicContact CG1-CE3 4.38Å; V1329-W1438 HydrophobicContact CG1-CH2 4.38Å; V1329-W1438 HydrophobicContact CG1-CZ3 4.08Å
1330T91.8Very high91.2Very high1 Ų145 Ų451%0.00625%0.246CC..Hα-helixtrans-66.7-22.1177.2590000114.7V1326 V1327 L1328 C1339 W1438 C1442V1326-T1330 WeakPolarHBondContact O-CG2 3.41Å; V1326-T1330 PolarHBondContact O-N 3.21Å; V1326-T1330 PolarHBondContact O-OG1 3.2Å; V1327-T1330 WeakPolarHBondContact CA-OG1 3.3Å; V1327-T1330 PolarHBondContact O-N 3.14Å; V1327-T1330 PolarHBondContact O-OG1 3.21Å; L1328-T1330 VanDerWaalsContact C-N 3.3Å; L1328-T1330 PolarHBondContact O-N 3.2Å; T1330-C1339 PolarHBondContact O-SG 3.12Å; T1330-C1339 VanDerWaalsContact O-SG 3.36Å; T1330-W1438 HydrophobicContact CG2-CB 3.92Å; T1330-W1438 HydrophobicContact CG2-CE3 4.3Å; T1330-W1438 WeakPolarHBondContact CG2-O 3.2Å; T1330-C1442 HydrophobicContact CG2-CB 3.76Å
1331G90.8Very high91.2Very high7.2 Ų7.245.4 Ų45.47%0.07425%0.251CS..Hα-helixtrans-83.6-23.2171.200000114.7V1327 L1328 V1329 C1339V1327-G1331 PolarHBondContact O-N 3.28Å; V1327-G1331 VanDerWaalsContact O-N 3.13Å; L1328-G1331 CarbonylContact O-C 3.59Å; L1328-G1331 WeakPolarHBondContact O-CA 3.45Å; L1328-G1331 PolarHBondContact O-N 3.09Å; V1329-G1331 VanDerWaalsContact C-N 3.25Å; V1329-G1331 PolarHBondContact O-N 3.36Å; G1331-C1339 WeakPolarHBondContact CA-O 3.35Å; G1331-C1339 WeakPolarHBondContact O-CB 3.4Å
1332V91.1Very high91.2Very high95.8 Ų95.840.9 Ų40.958%0.58123%0.234SC*.Hα-helixtrans-92.8-35.9-177.7176.10000112.9L1328 V1329 W1334 M1343L1328-V1332 HydrophobicContact CD1-CG2 4.29Å; L1328-V1332 HydrophobicContact CG-CG2 4.47Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.4Å; L1328-V1332 PolarHBondContact O-N 3.09Å; L1328-V1332 VanDerWaalsContact O-N 3.12Å; V1329-V1332 PolarHBondContact O-N 3.34Å; V1329-V1332 VanDerWaalsContact O-N 3.12Å; V1332-W1334 VanDerWaalsContact C-N 3.3Å; V1332-W1334 PolarHBondContact O-N 3.2Å; V1332-M1343 HydrophobicContact CG2-CE 3.79Å; V1332-M1343 HydrophobicContact CG2-SD 3.68Å; V1332-M1343 VanDerWaalsContact CG2-SD 3.57Å
1333V88.9Confident91.2Very high66 Ų6639.3 Ų39.340%0.422%0.223SC..SBendtrans-69.4-22.7-170.2173.60000113.8V1329V1329-V1333 HydrophobicContact CG1-CG2 3.81Å; V1329-V1333 VanDerWaalsContact O-CG2 3.28Å; V1329-V1333 WeakPolarHBondContact O-CG2 3.36Å; V1329-V1333 PolarHBondContact O-N 3.13Å
1334W86Confident91.2Very high48.8 Ų48.843.5 Ų43.519%0.18524%0.244CC..SBendtrans-131.6137.2-178-50.5104.4000112.5V1332 T1336 C1339 V1432 S1433 H1437 W1438V1332-W1334 VanDerWaalsContact C-N 3.3Å; V1332-W1334 PolarHBondContact O-N 3.2Å; W1334-T1336 HydrophobicContact CB-CG2 4.35Å; W1334-T1336 PolarHBondContact O-N 3.29Å; W1334-C1339 WeakPolarHBondContact O-CB 3.31Å; W1334-C1339 PolarHBondContact O-SG 3.1Å; W1334-C1339 VanDerWaalsContact O-SG 3.36Å; W1334-V1432 HydrophobicContact CE3-CG1 3.98Å; W1334-V1432 HydrophobicContact CZ3-CG1 4.25Å; W1334-S1433 WeakPolarHBondContact CH2-O 3.25Å; W1334-S1433 WeakPolarHBondContact CZ2-O 3.38Å; W1334-S1433 WeakPolarHBondContact CZ3-O 3.4Å; W1334-H1437 AromaticContact CZ2-CE1 3.76Å; W1334-H1437 AromaticContact CZ2-NE2 3.72Å; W1334-W1438 AromaticContact CE2-CD1 3.87Å; W1334-W1438 AromaticContact CZ2-CD1 3.81Å; W1334-W1438 AromaticContact NE1-CD1 3.35Å; W1334-W1438 VanDerWaalsContact NE1-CD1 3.29Å; W1334-W1438 AromaticContact NE1-CG 3.86Å
1335I85Confident91.2Very high148.2 Ų148.244.6 Ų44.676%0.7625%0.25SC*.  trans-90.489177.2-52.5175.6000108.5
1336T86.4Confident91.2Very high13 Ų1342.2 Ų42.28%0.0823%0.23CC..SBendtrans-142.9159174.370.60000111W1334 F1338 C1339 L1340 S1434W1334-T1336 HydrophobicContact CB-CG2 4.35Å; W1334-T1336 PolarHBondContact O-N 3.29Å; T1336-F1338 PolarHBondContact O-N 3.19Å; T1336-F1338 VanDerWaalsContact O-N 3.17Å; T1336-F1338 PolarHBondContact OG1-N 3.08Å; T1336-C1339 WeakPolarHBondContact O-CB 3.41Å; T1336-C1339 PolarHBondContact O-N 3.19Å; T1336-C1339 PolarHBondContact OG1-N 3.28Å; T1336-C1339 PolarHBondContact OG1-SG 3.21Å; T1336-C1339 VanDerWaalsContact OG1-SG 3.33Å; T1336-L1340 PolarHBondContact O-N 3.27Å; T1336-S1434 WeakPolarHBondContact CG2-OG 3.45Å
1337L89.2Confident91.1Very high77.8 Ų77.847 Ų4741%0.40725%0.249SC..Hα-helixtrans-56.9-29.9174.2-174.162.5000113C1339 L1340 L1405 F1406L1337-C1339 VanDerWaalsContact C-N 3.32Å; L1337-C1339 PolarHBondContact O-N 2.8Å; L1337-L1340 HydrophobicContact CD1-CD2 4.33Å; L1337-L1340 WeakPolarHBondContact O-CB 3.32Å; L1337-L1405 HydrophobicContact CB-CD1 4.07Å; L1337-L1405 HydrophobicContact CB-CG 4.31Å; L1337-L1405 HydrophobicContact CD1-CD1 4.49Å; L1337-L1405 HydrophobicContact CD2-CD2 4.47Å; L1337-L1405 HydrophobicContact CD2-CG 4.42Å; L1337-L1405 PolarHBondContact N-O 3.09Å; L1337-F1406 HydrophobicContact CD2-CD1 4.46Å; L1337-F1406 HydrophobicContact CD2-CE1 3.84Å; L1337-F1406 HydrophobicContact CD2-CZ 4.28Å
1338F91.2Very high91.1Very high23.8 Ų23.851 Ų5110%0.10427%0.27CS..Hα-helixtrans-71.5-31.1176.1-56.3-61.3000113T1336 G1341 Y1342 Y1374 V1378 A1381 K1382 L1385 F1406T1336-F1338 PolarHBondContact O-N 3.19Å; T1336-F1338 VanDerWaalsContact O-N 3.17Å; T1336-F1338 PolarHBondContact OG1-N 3.08Å; F1338-G1341 PolarHBondContact O-N 3.18Å; F1338-Y1342 WeakPolarHBondContact O-CD2 3.09Å; F1338-Y1342 PolarHBondContact O-N 3.24Å; F1338-Y1374 WeakPolarHBondContact CA-OH 3.38Å; F1338-Y1374 PolarHBondContact O-OH 3.25Å; F1338-V1378 HydrophobicContact CB-CG1 3.77Å; F1338-V1378 HydrophobicContact CB-CG2 3.96Å; F1338-V1378 HydrophobicContact CD1-CG1 4.36Å; F1338-V1378 HydrophobicContact CD1-CG2 3.97Å; F1338-V1378 HydrophobicContact CG-CG1 4.04Å; F1338-V1378 HydrophobicContact CG-CG2 4.28Å; F1338-A1381 HydrophobicContact CE1-CB 3.81Å; F1338-A1381 HydrophobicContact CZ-CB 3.81Å; F1338-K1382 HydrophobicContact CD2-CG 4.18Å; F1338-K1382 HydrophobicContact CE2-CG 4.13Å; F1338-L1385 HydrophobicContact CE2-CD1 3.88Å; F1338-L1385 HydrophobicContact CZ-CD1 3.78Å; F1338-F1406 HydrophobicContact CE1-CD1 4.42Å; F1338-F1406 HydrophobicContact CE2-CB 4.32Å; F1338-F1406 AromaticContact CE2-CD1 3.79Å; F1338-F1406 HydrophobicContact CE2-CD1 3.79Å; F1338-F1406 AromaticContact CZ-CD1 3.63Å; F1338-F1406 HydrophobicContact CZ-CD1 3.63Å; F1338-F1406 HydrophobicContact CZ-CE1 4.17Å
1339C90.4Very high91Very high2.8 Ų2.849.1 Ų49.12%0.01926%0.259CS..Hα-helixtrans-75-30.6179.3-690000112.3T1330 G1331 W1334 T1336 L1337 G1341 Y1342 M1343T1330-C1339 PolarHBondContact O-SG 3.12Å; T1330-C1339 VanDerWaalsContact O-SG 3.36Å; G1331-C1339 WeakPolarHBondContact CA-O 3.35Å; G1331-C1339 WeakPolarHBondContact O-CB 3.4Å; W1334-C1339 WeakPolarHBondContact O-CB 3.31Å; W1334-C1339 PolarHBondContact O-SG 3.1Å; W1334-C1339 VanDerWaalsContact O-SG 3.36Å; T1336-C1339 WeakPolarHBondContact O-CB 3.41Å; T1336-C1339 PolarHBondContact O-N 3.19Å; T1336-C1339 PolarHBondContact OG1-N 3.28Å; T1336-C1339 PolarHBondContact OG1-SG 3.21Å; T1336-C1339 VanDerWaalsContact OG1-SG 3.33Å; L1337-C1339 VanDerWaalsContact C-N 3.32Å; L1337-C1339 PolarHBondContact O-N 2.8Å; C1339-G1341 VanDerWaalsContact C-N 3.27Å; C1339-G1341 PolarHBondContact O-N 3.31Å; C1339-Y1342 PolarHBondContact O-N 3.1Å; C1339-Y1342 VanDerWaalsContact O-N 3.14Å; C1339-M1343 WeakPolarHBondContact O-CG 3.39Å; C1339-M1343 PolarHBondContact O-N 3.25Å
1340L91.5Very high90.9Very high100 Ų10049.6 Ų49.652%0.52426%0.259SS..Hα-helixtrans-57.5-37.3170.6-179.7136.4000112.4T1336 L1337 M1343 I1344T1336-L1340 PolarHBondContact O-N 3.27Å; L1337-L1340 HydrophobicContact CD1-CD2 4.33Å; L1337-L1340 WeakPolarHBondContact O-CB 3.32Å; L1340-M1343 WeakPolarHBondContact O-CB 3.34Å; L1340-M1343 PolarHBondContact O-N 3.14Å; L1340-I1344 HydrophobicContact CD2-CD1 3.74Å; L1340-I1344 HydrophobicContact CD2-CG1 4.46Å; L1340-I1344 HydrophobicContact CG-CD1 4.3Å; L1340-I1344 VanDerWaalsContact O-CG1 3.31Å; L1340-I1344 WeakPolarHBondContact O-CG1 3.42Å; L1340-I1344 PolarHBondContact O-N 2.92Å
1341G92Very high90.9Very high11.6 Ų11.660.2 Ų60.212%0.1230%0.299CS..Hα-helixtrans-70.8-36.6176.300000113.6F1338 C1339 M1343 I1344 L1345 Y1374F1338-G1341 PolarHBondContact O-N 3.18Å; C1339-G1341 VanDerWaalsContact C-N 3.27Å; C1339-G1341 PolarHBondContact O-N 3.31Å; G1341-M1343 VanDerWaalsContact C-N 3.32Å; G1341-M1343 PolarHBondContact O-N 3.29Å; G1341-I1344 PolarHBondContact O-N 3.26Å; G1341-L1345 WeakPolarHBondContact O-CB 3.33Å; G1341-L1345 VanDerWaalsContact O-CG 3.32Å; G1341-L1345 WeakPolarHBondContact O-CG 3.41Å; G1341-L1345 PolarHBondContact O-N 3.02Å; G1341-Y1374 WeakPolarHBondContact CA-OH 3.27Å
1342Y94.1Very high90.8Very high0 Ų063.9 Ų63.90%032%0.315CS..Hα-helixtrans-62.9-38.8170.1-66.8-51.5000111.8V1327 F1338 C1339 S1346 Y1374 N1375 V1378 D1439V1327-Y1342 HydrophobicContact CG1-CD1 4.35Å; F1338-Y1342 WeakPolarHBondContact O-CD2 3.09Å; F1338-Y1342 PolarHBondContact O-N 3.24Å; C1339-Y1342 PolarHBondContact O-N 3.1Å; C1339-Y1342 VanDerWaalsContact O-N 3.14Å; Y1342-S1346 VanDerWaalsContact O-CB 3.26Å; Y1342-S1346 WeakPolarHBondContact O-CB 3.36Å; Y1342-S1346 PolarHBondContact O-N 3.18Å; Y1342-Y1374 AromaticContact CD1-CD1 3.78Å; Y1342-Y1374 HydrophobicContact CD1-CD1 3.78Å; Y1342-Y1374 AromaticContact CD1-CE1 3.84Å; Y1342-Y1374 HydrophobicContact CD1-CE1 3.84Å; Y1342-Y1374 HydrophobicContact CD2-CE1 4.38Å; Y1342-Y1374 AromaticContact CE1-CD1 3.73Å; Y1342-Y1374 HydrophobicContact CE1-CD1 3.73Å; Y1342-Y1374 AromaticContact CE1-CE1 3.93Å; Y1342-Y1374 HydrophobicContact CE1-CE1 3.93Å; Y1342-Y1374 HydrophobicContact CG-CD1 4.48Å; Y1342-Y1374 HydrophobicContact CG-CE1 4.2Å; Y1342-N1375 HydrophobicContact CE1-CB 3.98Å; Y1342-N1375 PolarHBondContact OH-ND2 3.16Å; Y1342-N1375 VanDerWaalsContact OH-ND2 3.1Å; Y1342-V1378 HydrophobicContact CE2-CG1 4.28Å; Y1342-V1378 HydrophobicContact CE2-CG2 4.43Å; Y1342-V1378 WeakPolarHBondContact OH-CG1 3.46Å; Y1342-D1439 WeakPolarHBondContact CE2-OD1 3.24Å; Y1342-D1439 PolarHBondContact OH-OD1 3.22Å; Y1342-D1439 VanDerWaalsContact OH-OD1 3.1Å
1343M93Very high90.6Very high36.6 Ų36.659.6 Ų59.618%0.1829%0.291CS..Hα-helixtrans-61.8-51.4174.5-69.1-75.230.800111.9L1328 V1332 C1339 L1340 G1341 L1345 S1346 F1347L1328-M1343 HydrophobicContact CB-CE 4.45Å; L1328-M1343 HydrophobicContact CD1-CE 3.56Å; L1328-M1343 VanDerWaalsContact CD1-CE 3.43Å; L1328-M1343 HydrophobicContact CD1-SD 4Å; L1328-M1343 HydrophobicContact CG-CE 3.91Å; L1328-M1343 VanDerWaalsContact O-CE 3.22Å; L1328-M1343 WeakPolarHBondContact O-CE 3.34Å; V1332-M1343 HydrophobicContact CG2-CE 3.79Å; V1332-M1343 HydrophobicContact CG2-SD 3.68Å; V1332-M1343 VanDerWaalsContact CG2-SD 3.57Å; C1339-M1343 WeakPolarHBondContact O-CG 3.39Å; C1339-M1343 PolarHBondContact O-N 3.25Å; L1340-M1343 WeakPolarHBondContact O-CB 3.34Å; L1340-M1343 PolarHBondContact O-N 3.14Å; G1341-M1343 VanDerWaalsContact C-N 3.32Å; G1341-M1343 PolarHBondContact O-N 3.29Å; M1343-L1345 VanDerWaalsContact C-N 3.34Å; M1343-L1345 PolarHBondContact O-N 3.18Å; M1343-S1346 PolarHBondContact O-N 3.1Å; M1343-F1347 HydrophobicContact CB-CD2 4.44Å; M1343-F1347 HydrophobicContact CB-CE2 4.25Å; M1343-F1347 HydrophobicContact CE-CE1 4.05Å; M1343-F1347 HydrophobicContact CE-CE2 3.75Å; M1343-F1347 HydrophobicContact CE-CZ 3.51Å; M1343-F1347 VanDerWaalsContact CE-CZ 3.45Å; M1343-F1347 VanDerWaalsContact O-CD2 3.31Å; M1343-F1347 WeakPolarHBondContact O-CD2 3.39Å; M1343-F1347 WeakPolarHBondContact O-CG 3.31Å; M1343-F1347 PolarHBondContact O-N 3.08Å; M1343-F1347 HydrophobicContact SD-CE2 4.08Å; M1343-F1347 HydrophobicContact SD-CZ 4.37Å
1344I93.8Very high90.4Very high89.6 Ų89.659.3 Ų59.346%0.45929%0.287SS..Hα-helixtrans-58.8-47178.5-70.3171.7000111.1L1340 G1341 S1346 F1347 I1348L1340-I1344 HydrophobicContact CD2-CD1 3.74Å; L1340-I1344 HydrophobicContact CD2-CG1 4.46Å; L1340-I1344 HydrophobicContact CG-CD1 4.3Å; L1340-I1344 VanDerWaalsContact O-CG1 3.31Å; L1340-I1344 WeakPolarHBondContact O-CG1 3.42Å; L1340-I1344 PolarHBondContact O-N 2.92Å; G1341-I1344 PolarHBondContact O-N 3.26Å; I1344-S1346 PolarHBondContact O-N 3.29Å; I1344-F1347 PolarHBondContact O-N 3.09Å; I1344-I1348 HydrophobicContact CG2-CD1 3.76Å; I1344-I1348 WeakPolarHBondContact O-CD1 3.4Å; I1344-I1348 VanDerWaalsContact O-CG1 3.29Å; I1344-I1348 WeakPolarHBondContact O-CG1 3.38Å; I1344-I1348 PolarHBondContact O-N 3.17Å
1345L92.2Very high90.5Very high25.4 Ų25.462.3 Ų62.313%0.13331%0.306CS..Hα-helixtrans-61-47.3176.5-73.7169.6000111.4G1341 M1343 F1347 I1348 Y1349 Y1374G1341-L1345 WeakPolarHBondContact O-CB 3.33Å; G1341-L1345 VanDerWaalsContact O-CG 3.32Å; G1341-L1345 WeakPolarHBondContact O-CG 3.41Å; G1341-L1345 PolarHBondContact O-N 3.02Å; M1343-L1345 VanDerWaalsContact C-N 3.34Å; M1343-L1345 PolarHBondContact O-N 3.18Å; L1345-F1347 PolarHBondContact O-N 3.29Å; L1345-I1348 PolarHBondContact O-N 3.31Å; L1345-Y1349 HydrophobicContact CD2-CE2 4.45Å; L1345-Y1349 VanDerWaalsContact O-CD2 3.28Å; L1345-Y1349 WeakPolarHBondContact O-CD2 3.41Å; L1345-Y1349 PolarHBondContact O-N 3.19Å; L1345-Y1374 HydrophobicContact CD1-CD1 3.66Å; L1345-Y1374 HydrophobicContact CD1-CD2 4.36Å; L1345-Y1374 HydrophobicContact CD1-CE1 4.46Å; L1345-Y1374 HydrophobicContact CD1-CG 3.6Å
1346S92.6Very high90.7Very high0.4 Ų0.455.5 Ų55.50%0.00327%0.272CS..Hα-helixtrans-58.6-46.7179.3-167.50000111.7L1328 Y1342 M1343 I1344 I1348 Y1349 L1350L1328-S1346 WeakPolarHBondContact CB-OG 3.28Å; L1328-S1346 VanDerWaalsContact CD1-OG 3.29Å; L1328-S1346 WeakPolarHBondContact CD1-OG 3.32Å; Y1342-S1346 VanDerWaalsContact O-CB 3.26Å; Y1342-S1346 WeakPolarHBondContact O-CB 3.36Å; Y1342-S1346 PolarHBondContact O-N 3.18Å; M1343-S1346 PolarHBondContact O-N 3.1Å; I1344-S1346 PolarHBondContact O-N 3.29Å; S1346-I1348 PolarHBondContact O-N 2.93Å; S1346-Y1349 PolarHBondContact O-N 3.17Å; S1346-L1350 WeakPolarHBondContact O-CB 3.39Å; S1346-L1350 VanDerWaalsContact O-CG 3.24Å; S1346-L1350 WeakPolarHBondContact O-CG 3.37Å; S1346-L1350 PolarHBondContact O-N 3.26Å
1347F93.1Very high90.7Very high121.6 Ų121.655.3 Ų55.353%0.53327%0.27SS..Hα-helixtrans-63.1-40.3177.1-66.5-45.3000113.1L1328 M1343 I1344 L1345 Y1349 L1350 W1351L1328-F1347 HydrophobicContact CD1-CE1 4.31Å; M1343-F1347 HydrophobicContact CB-CD2 4.44Å; M1343-F1347 HydrophobicContact CB-CE2 4.25Å; M1343-F1347 HydrophobicContact CE-CE1 4.05Å; M1343-F1347 HydrophobicContact CE-CE2 3.75Å; M1343-F1347 HydrophobicContact CE-CZ 3.51Å; M1343-F1347 VanDerWaalsContact CE-CZ 3.45Å; M1343-F1347 VanDerWaalsContact O-CD2 3.31Å; M1343-F1347 WeakPolarHBondContact O-CD2 3.39Å; M1343-F1347 WeakPolarHBondContact O-CG 3.31Å; M1343-F1347 PolarHBondContact O-N 3.08Å; M1343-F1347 HydrophobicContact SD-CE2 4.08Å; M1343-F1347 HydrophobicContact SD-CZ 4.37Å; I1344-F1347 PolarHBondContact O-N 3.09Å; L1345-F1347 PolarHBondContact O-N 3.29Å; F1347-Y1349 VanDerWaalsContact C-N 3.35Å; F1347-Y1349 PolarHBondContact O-N 3.28Å; F1347-L1350 PolarHBondContact O-N 3.22Å; F1347-W1351 VanDerWaalsContact O-CB 3.23Å; F1347-W1351 WeakPolarHBondContact O-CB 3.33Å; F1347-W1351 PolarHBondContact O-N 2.98Å
1348I92.6Very high90.6Very high86.8 Ų86.853.8 Ų53.845%0.44526%0.262SS..Hα-helixtrans-61.5-44.6175.5-70.2165.7000111.1I1344 L1345 S1346 M1352I1344-I1348 HydrophobicContact CG2-CD1 3.76Å; I1344-I1348 WeakPolarHBondContact O-CD1 3.4Å; I1344-I1348 VanDerWaalsContact O-CG1 3.29Å; I1344-I1348 WeakPolarHBondContact O-CG1 3.38Å; I1344-I1348 PolarHBondContact O-N 3.17Å; L1345-I1348 PolarHBondContact O-N 3.31Å; S1346-I1348 PolarHBondContact O-N 2.93Å; I1348-M1352 WeakPolarHBondContact O-CB 3.36Å; I1348-M1352 VanDerWaalsContact O-CG 3.29Å; I1348-M1352 WeakPolarHBondContact O-CG 3.4Å; I1348-M1352 PolarHBondContact O-N 3.09Å
1349Y92.6Very high90.3Very high14.4 Ų14.457.9 Ų57.96%0.05628%0.277CS..Hα-helixtrans-73.4-33.5179.9-81.9-81.2000113.2Y1320 L1324 L1345 S1346 F1347 G1353 V1356 S1367 W1368 I1371Y1320-Y1349 PolarHBondContact OH-O 2.98Å; L1324-Y1349 HydrophobicContact CD2-CG 4.22Å; L1345-Y1349 HydrophobicContact CD2-CE2 4.45Å; L1345-Y1349 VanDerWaalsContact O-CD2 3.28Å; L1345-Y1349 WeakPolarHBondContact O-CD2 3.41Å; L1345-Y1349 PolarHBondContact O-N 3.19Å; S1346-Y1349 PolarHBondContact O-N 3.17Å; F1347-Y1349 VanDerWaalsContact C-N 3.35Å; F1347-Y1349 PolarHBondContact O-N 3.28Å; Y1349-G1353 WeakPolarHBondContact O-CA 3.45Å; Y1349-G1353 PolarHBondContact O-N 3.11Å; Y1349-V1356 HydrophobicContact CD1-CG1 4.05Å; Y1349-V1356 HydrophobicContact CD1-CG2 4.07Å; Y1349-V1356 HydrophobicContact CE1-CG1 3.91Å; Y1349-V1356 HydrophobicContact CE1-CG2 4.46Å; Y1349-S1367 VanDerWaalsContact OH-C 3.24Å; Y1349-S1367 WeakPolarHBondContact OH-CB 3.49Å; Y1349-S1367 PolarHBondContact OH-O 3.1Å; Y1349-S1367 PolarHBondContact OH-OG 3.03Å; Y1349-W1368 HydrophobicContact CD1-CE3 4.44Å; Y1349-W1368 HydrophobicContact CD1-CZ3 4.29Å; Y1349-W1368 HydrophobicContact CE1-CE3 4.35Å; Y1349-W1368 HydrophobicContact CE1-CZ3 4.38Å; Y1349-I1371 HydrophobicContact CD1-CD1 4.4Å; Y1349-I1371 HydrophobicContact CD2-CD1 3.74Å; Y1349-I1371 HydrophobicContact CD2-CG1 4.15Å; Y1349-I1371 HydrophobicContact CE1-CD1 4.14Å; Y1349-I1371 HydrophobicContact CE2-CD1 3.45Å; Y1349-I1371 VanDerWaalsContact CE2-CD1 3.44Å; Y1349-I1371 HydrophobicContact CE2-CG1 3.52Å; Y1349-I1371 VanDerWaalsContact CE2-CG1 3.46Å; Y1349-I1371 HydrophobicContact CG-CD1 4.22Å
1350L91.3Very high90.1Very high70.8 Ų70.863.1 Ų63.137%0.37130%0.301SS..Hα-helixtrans-69.1-39.7173.2-72.1168.6000112W1321 L1324 L1328 S1346 F1347 G1353W1321-L1350 HydrophobicContact CE3-CD2 4.48Å; W1321-L1350 HydrophobicContact CZ3-CD2 4.33Å; L1324-L1350 HydrophobicContact CB-CD2 4.4Å; L1324-L1350 HydrophobicContact CD1-CD2 4.03Å; L1324-L1350 HydrophobicContact CD1-CG 4.36Å; L1328-L1350 HydrophobicContact CD1-CD1 4.25Å; L1328-L1350 HydrophobicContact CD2-CD1 4.46Å; S1346-L1350 WeakPolarHBondContact O-CB 3.39Å; S1346-L1350 VanDerWaalsContact O-CG 3.24Å; S1346-L1350 WeakPolarHBondContact O-CG 3.37Å; S1346-L1350 PolarHBondContact O-N 3.26Å; F1347-L1350 PolarHBondContact O-N 3.22Å; L1350-G1353 PolarHBondContact O-N 3.2Å
1351W91.2Very high89.7Confident223.4 Ų223.458.5 Ų58.585%0.84628%0.277SS*.Hα-helixtrans-64.9-45.7175.6179-88.7000112.4F1347 G1353F1347-W1351 VanDerWaalsContact O-CB 3.23Å; F1347-W1351 WeakPolarHBondContact O-CB 3.33Å; F1347-W1351 PolarHBondContact O-N 2.98Å; W1351-G1353 VanDerWaalsContact C-N 3.33Å
1352M89.4Confident89.4Confident84.2 Ų84.260.3 Ų60.342%0.41529%0.287SS..Hα-helixtrans-70.7-32.7176-66.7-75.1174.900111.8I1348 L1354 N1355 V1356I1348-M1352 WeakPolarHBondContact O-CB 3.36Å; I1348-M1352 VanDerWaalsContact O-CG 3.29Å; I1348-M1352 WeakPolarHBondContact O-CG 3.4Å; I1348-M1352 PolarHBondContact O-N 3.09Å; M1352-L1354 PolarHBondContact O-N 3.07Å; M1352-N1355 VanDerWaalsContact O-CB 3.3Å; M1352-N1355 WeakPolarHBondContact O-CB 3.3Å; M1352-N1355 PolarHBondContact O-N 3.09Å; M1352-N1355 VanDerWaalsContact O-N 3.13Å; M1352-N1355 PolarHBondContact O-ND2 3.16Å; M1352-V1356 HydrophobicContact CB-CG2 3.37Å; M1352-V1356 VanDerWaalsContact CB-CG2 3.4Å; M1352-V1356 HydrophobicContact CG-CG2 4.46Å
1353G85.4Confident89.2Confident7.2 Ų7.263.7 Ų63.77%0.07431%0.305CS..THydrogen-bonded Turntrans49.1-126.1170.600000113.7Y1320 Y1349 L1350 W1351 N1355 V1356Y1320-G1353 PolarHBondContact OH-O 3.14Å; Y1349-G1353 WeakPolarHBondContact O-CA 3.45Å; Y1349-G1353 PolarHBondContact O-N 3.11Å; L1350-G1353 PolarHBondContact O-N 3.2Å; W1351-G1353 VanDerWaalsContact C-N 3.33Å; G1353-N1355 PolarHBondContact O-N 3.31Å; G1353-N1355 VanDerWaalsContact O-N 3.12Å; G1353-V1356 WeakPolarHBondContact O-CB 3.36Å; G1353-V1356 WeakPolarHBondContact O-CG2 3.36Å; G1353-V1356 PolarHBondContact O-N 3.17Å; G1353-V1356 VanDerWaalsContact O-N 3.1Å
1354L86.2Confident89Confident59 Ų5962 Ų6231%0.30930%0.296SS..Hα-helixtrans-59.2-28.5-177.7-163.965.6000113.5M1352 V1356 L1357 L1358 L1465M1352-L1354 PolarHBondContact O-N 3.07Å; L1354-V1356 PolarHBondContact O-N 3.07Å; L1354-V1356 VanDerWaalsContact O-N 3.15Å; L1354-L1357 HydrophobicContact CD1-CD1 4.04Å; L1354-L1357 PolarHBondContact O-N 3.28Å; L1354-L1357 VanDerWaalsContact O-N 3.1Å; L1354-L1358 HydrophobicContact CD1-CG 4.5Å; L1354-L1358 HydrophobicContact CG-CD1 4.3Å; L1354-L1358 HydrophobicContact CG-CG 4.41Å; L1354-L1358 PolarHBondContact O-N 2.94Å; L1354-L1465 HydrophobicContact CD1-CB 4.34Å; L1354-L1465 HydrophobicContact CD1-CD1 3.88Å; L1354-L1465 HydrophobicContact CD1-CD2 3.78Å; L1354-L1465 HydrophobicContact CD1-CG 4.29Å; L1354-L1465 HydrophobicContact CD2-CD2 4.36Å; L1354-L1465 HydrophobicContact CG-CD2 4.35Å
1355N87.5Confident88.8Confident110.8 Ų110.858.6 Ų58.659%0.59328%0.279SS*.Hα-helixtrans-66.7-18.1179.6-57-49.3000112.6M1352 G1353 R1359M1352-N1355 VanDerWaalsContact O-CB 3.3Å; M1352-N1355 WeakPolarHBondContact O-CB 3.3Å; M1352-N1355 PolarHBondContact O-N 3.09Å; M1352-N1355 VanDerWaalsContact O-N 3.13Å; M1352-N1355 PolarHBondContact O-ND2 3.16Å; G1353-N1355 PolarHBondContact O-N 3.31Å; G1353-N1355 VanDerWaalsContact O-N 3.12Å; N1355-R1359 WeakPolarHBondContact O-CG 3.22Å; N1355-R1359 PolarHBondContact O-N 3.41Å
1356V88.4Confident88.6Confident6.6 Ų6.662.1 Ų62.14%0.0430%0.298CS..Hα-helixtrans-69.1-45.2171.2-175.50000110.5Y1349 M1352 G1353 L1354 L1358 R1359 L1364Y1349-V1356 HydrophobicContact CD1-CG1 4.05Å; Y1349-V1356 HydrophobicContact CD1-CG2 4.07Å; Y1349-V1356 HydrophobicContact CE1-CG1 3.91Å; Y1349-V1356 HydrophobicContact CE1-CG2 4.46Å; M1352-V1356 HydrophobicContact CB-CG2 3.37Å; M1352-V1356 VanDerWaalsContact CB-CG2 3.4Å; M1352-V1356 HydrophobicContact CG-CG2 4.46Å; G1353-V1356 WeakPolarHBondContact O-CB 3.36Å; G1353-V1356 WeakPolarHBondContact O-CG2 3.36Å; G1353-V1356 PolarHBondContact O-N 3.17Å; G1353-V1356 VanDerWaalsContact O-N 3.1Å; L1354-V1356 PolarHBondContact O-N 3.07Å; L1354-V1356 VanDerWaalsContact O-N 3.15Å; V1356-L1358 VanDerWaalsContact C-N 3.33Å; V1356-L1358 PolarHBondContact O-N 3.01Å; V1356-R1359 WeakPolarHBondContact O-CB 3.4Å; V1356-R1359 WeakPolarHBondContact O-CG 3.44Å; V1356-R1359 PolarHBondContact O-N 3.07Å; V1356-L1364 HydrophobicContact CG1-CD1 3.87Å
1357L86.9Confident88.5Confident8.2 Ų8.263.3 Ų63.34%0.04331%0.306CS..Hα-helixtrans-70-29.9-177.7-70113.7000112.5Y1320 L1354 R1359 F1453 F1458 L1462 L1465Y1320-L1357 HydrophobicContact CD1-CD1 3.72Å; Y1320-L1357 HydrophobicContact CD1-CD2 4.47Å; Y1320-L1357 HydrophobicContact CD1-CG 4.3Å; Y1320-L1357 HydrophobicContact CD2-CD1 3.96Å; Y1320-L1357 HydrophobicContact CD2-CD2 4.02Å; Y1320-L1357 HydrophobicContact CD2-CG 4.43Å; Y1320-L1357 HydrophobicContact CE1-CD1 3.67Å; Y1320-L1357 VanDerWaalsContact CE1-CD1 3.47Å; Y1320-L1357 HydrophobicContact CE1-CG 4.29Å; Y1320-L1357 HydrophobicContact CE2-CD1 3.74Å; Y1320-L1357 HydrophobicContact CE2-CD2 4.37Å; Y1320-L1357 HydrophobicContact CE2-CG 4.4Å; Y1320-L1357 HydrophobicContact CG-CD1 3.98Å; Y1320-L1357 HydrophobicContact CG-CD2 4.22Å; Y1320-L1357 HydrophobicContact CG-CG 4.4Å; Y1320-L1357 VanDerWaalsContact CZ-CD1 3.41Å; L1354-L1357 HydrophobicContact CD1-CD1 4.04Å; L1354-L1357 PolarHBondContact O-N 3.28Å; L1354-L1357 VanDerWaalsContact O-N 3.1Å; L1357-R1359 VanDerWaalsContact C-N 3.28Å; L1357-R1359 PolarHBondContact O-N 3.19Å; L1357-F1453 HydrophobicContact CD2-CE1 3.6Å; L1357-F1453 HydrophobicContact CD2-CZ 4.12Å; L1357-F1458 HydrophobicContact CD2-CE2 4.28Å; L1357-F1458 HydrophobicContact CD2-CZ 4.2Å; L1357-L1462 VanDerWaalsContact O-CD1 3.29Å; L1357-L1462 WeakPolarHBondContact O-CD1 3.31Å; L1357-L1465 HydrophobicContact CB-CD1 3.93Å; L1357-L1465 HydrophobicContact CD1-CD1 3.98Å; L1357-L1465 HydrophobicContact CD2-CD1 3.7Å; L1357-L1465 HydrophobicContact CG-CD1 4.46Å
1358L86.2Confident88.5Confident46.6 Ų46.657.6 Ų57.624%0.24428%0.281CS..THydrogen-bonded Turntrans-74.1-10.2177-68.7172.3000113.7L1354 V1356 L1462 L1465 Q1466L1354-L1358 HydrophobicContact CD1-CG 4.5Å; L1354-L1358 HydrophobicContact CG-CD1 4.3Å; L1354-L1358 HydrophobicContact CG-CG 4.41Å; L1354-L1358 PolarHBondContact O-N 2.94Å; V1356-L1358 VanDerWaalsContact C-N 3.33Å; V1356-L1358 PolarHBondContact O-N 3.01Å; L1358-L1462 HydrophobicContact CD2-CD1 4.49Å; L1358-L1465 HydrophobicContact CD2-CB 4Å; L1358-Q1466 HydrophobicContact CD2-CB 4.42Å; L1358-Q1466 HydrophobicContact CD2-CG 3.83Å
1359R86.3Confident88.5Confident110.4 Ų110.454.6 Ų54.642%0.41727%0.266SS..SBendtrans-70.3150.1175.7-101.7177-178.8-165.9-4.1111N1355 V1356 L1357 R1361 N1363 L1364N1355-R1359 WeakPolarHBondContact O-CG 3.22Å; N1355-R1359 PolarHBondContact O-N 3.41Å; V1356-R1359 WeakPolarHBondContact O-CB 3.4Å; V1356-R1359 WeakPolarHBondContact O-CG 3.44Å; V1356-R1359 PolarHBondContact O-N 3.07Å; L1357-R1359 VanDerWaalsContact C-N 3.28Å; L1357-R1359 PolarHBondContact O-N 3.19Å; R1359-R1361 PolarHBondContact O-N 3.26Å; R1359-N1363 HydrophobicContact CG-CB 3.91Å; R1359-N1363 PolarHBondContact NH2-OD1 3.23Å; R1359-L1364 HydrophobicContact CB-CB 4.45Å
1360E84.8Confident88.5Confident112.4 Ų112.458.1 Ų58.153%0.52529%0.289SS..  trans-53.6141174.7-56.5176.6138.100112.2P1362 N1363 L1364E1360-P1362 VanDerWaalsContact C-CD 3.48Å; E1360-P1362 HydrophobicContact CB-CG 4.36Å; E1360-P1362 VanDerWaalsContact O-N 3.17Å; E1360-N1363 HydrophobicContact CB-CB 4.41Å; E1360-N1363 CarbonylContact O-C 3.54Å; E1360-N1363 WeakPolarHBondContact O-CA 3.41Å; E1360-N1363 WeakPolarHBondContact O-CB 3.4Å; E1360-N1363 PolarHBondContact O-N 3.21Å; E1360-N1363 PolarHBondContact OE2-ND2 3.18Å; E1360-L1364 WeakPolarHBondContact O-CB 3.09Å; E1360-L1364 PolarHBondContact O-N 3.08Å
1361R84.5Confident88.6Confident2 Ų254.8 Ų54.81%0.00827%0.272CS..Hα-helixtrans-47.8-47.7-177-105.2175.5-113.2-159.20.1115.6I1287 L1288 T1289 N1290 E1291 R1359 N1363 L1364 I1365 S1459I1287-R1361 VanDerWaalsContact O-CD 3.31Å; I1287-R1361 WeakPolarHBondContact O-CD 3.27Å; I1287-R1361 PolarHBondContact O-NH1 3.01Å; I1287-R1361 VanDerWaalsContact O-NH1 3.07Å; L1288-R1361 WeakPolarHBondContact O-CB 3.34Å; T1289-R1361 VanDerWaalsContact O-CD 3.26Å; T1289-R1361 WeakPolarHBondContact O-CD 3.39Å; T1289-R1361 PolarHBondContact O-NE 3.29Å; T1289-R1361 VanDerWaalsContact O-NE 3.1Å; T1289-R1361 PolarHBondContact O-NH1 3.23Å; T1289-R1361 VanDerWaalsContact O-NH1 3.17Å; T1289-R1361 PolarHBondContact O-NH2 3.15Å; N1290-R1361 WeakPolarHBondContact OD1-CD 3.35Å; N1290-R1361 VanDerWaalsContact OD1-CG 3.28Å; N1290-R1361 WeakPolarHBondContact OD1-CG 3.43Å; N1290-R1361 PolarHBondContact OD1-N 3.31Å; N1290-R1361 PolarHBondContact OD1-NE 3.04Å; N1290-R1361 PolarHBondContact OD1-NH2 3.47Å; N1290-R1361 VanDerWaalsContact OD1-NH2 3.16Å; E1291-R1361 PolarHBondContact O-NH2 2.84Å; R1359-R1361 PolarHBondContact O-N 3.26Å; R1361-N1363 VanDerWaalsContact C-N 3.32Å; R1361-N1363 PolarHBondContact O-N 3.19Å; R1361-L1364 PolarHBondContact O-N 3.21Å; R1361-I1365 HydrophobicContact CB-CD1 4.47Å; R1361-I1365 HydrophobicContact CG-CD1 4.04Å; R1361-I1365 VanDerWaalsContact O-CB 3.32Å; R1361-I1365 WeakPolarHBondContact O-CB 3.4Å; R1361-I1365 WeakPolarHBondContact O-CD1 3.44Å; R1361-I1365 VanDerWaalsContact O-CG1 3.25Å; R1361-I1365 WeakPolarHBondContact O-CG1 3.41Å; R1361-I1365 PolarHBondContact O-N 3.17Å; R1361-S1459 PolarHBondContact NH1-OG 3.28Å; R1361-S1459 PolarHBondContact NH2-OG 3.12Å
1362P86.1Confident88.7Confident50.2 Ų50.244.2 Ų44.233%0.32623%0.231SC..Hα-helixtrans-61.9-39.6176.823.7-34.4000112.4E1360 I1365 N1366E1360-P1362 VanDerWaalsContact C-CD 3.48Å; E1360-P1362 HydrophobicContact CB-CG 4.36Å; E1360-P1362 VanDerWaalsContact O-N 3.17Å; P1362-I1365 PolarHBondContact O-N 3.08Å; P1362-N1366 VanDerWaalsContact O-CB 3.28Å; P1362-N1366 WeakPolarHBondContact O-CB 3.38Å; P1362-N1366 PolarHBondContact O-N 3.27Å; P1362-N1366 PolarHBondContact O-ND2 3Å
1363N88.4Confident88.9Confident70.2 Ų70.240.8 Ų40.838%0.37522%0.218SC..Hα-helixtrans-72.8-37.2179.9-75.5-42.3000112.3R1359 E1360 R1361 S1367R1359-N1363 HydrophobicContact CG-CB 3.91Å; R1359-N1363 PolarHBondContact NH2-OD1 3.23Å; E1360-N1363 HydrophobicContact CB-CB 4.41Å; E1360-N1363 CarbonylContact O-C 3.54Å; E1360-N1363 WeakPolarHBondContact O-CA 3.41Å; E1360-N1363 WeakPolarHBondContact O-CB 3.4Å; E1360-N1363 PolarHBondContact O-N 3.21Å; E1360-N1363 PolarHBondContact OE2-ND2 3.18Å; R1361-N1363 VanDerWaalsContact C-N 3.32Å; R1361-N1363 PolarHBondContact O-N 3.19Å; N1363-S1367 VanDerWaalsContact O-CB 3.23Å; N1363-S1367 WeakPolarHBondContact O-CB 3.29Å; N1363-S1367 PolarHBondContact O-N 3.18Å
1364L88.6Confident89.4Confident1 Ų143.6 Ų43.61%0.00523%0.227CC..Hα-helixtrans-61.5-49170171.658.8000111.6V1356 R1359 E1360 R1361 N1366 S1367 W1368 F1453 F1458V1356-L1364 HydrophobicContact CG1-CD1 3.87Å; R1359-L1364 HydrophobicContact CB-CB 4.45Å; E1360-L1364 WeakPolarHBondContact O-CB 3.09Å; E1360-L1364 PolarHBondContact O-N 3.08Å; R1361-L1364 PolarHBondContact O-N 3.21Å; L1364-N1366 PolarHBondContact O-N 3.32Å; L1364-S1367 WeakPolarHBondContact O-CB 3.41Å; L1364-S1367 PolarHBondContact O-N 2.94Å; L1364-W1368 WeakPolarHBondContact O-CB 3.35Å; L1364-W1368 PolarHBondContact O-N 3.3Å; L1364-F1453 HydrophobicContact CD1-CD2 4.42Å; L1364-F1453 HydrophobicContact CD1-CE1 4.35Å; L1364-F1453 HydrophobicContact CD1-CE2 3.98Å; L1364-F1453 HydrophobicContact CD1-CZ 3.93Å; L1364-F1453 HydrophobicContact CD2-CB 4.44Å; L1364-F1453 HydrophobicContact CD2-CD1 3.78Å; L1364-F1453 HydrophobicContact CD2-CD2 4.39Å; L1364-F1453 HydrophobicContact CD2-CE1 3.97Å; L1364-F1453 HydrophobicContact CD2-CE2 4.5Å; L1364-F1453 HydrophobicContact CD2-CG 4Å; L1364-F1453 HydrophobicContact CD2-CZ 4.35Å; L1364-F1453 HydrophobicContact CG-CD1 4.45Å; L1364-F1453 HydrophobicContact CG-CD2 4.22Å; L1364-F1453 HydrophobicContact CG-CE1 4.48Å; L1364-F1453 HydrophobicContact CG-CE2 4.28Å; L1364-F1453 HydrophobicContact CG-CG 4.3Å; L1364-F1453 HydrophobicContact CG-CZ 4.42Å; L1364-F1458 HydrophobicContact CD2-CE1 3.86Å; L1364-F1458 HydrophobicContact CD2-CZ 4.04Å
1365I89.6Confident89.8Confident18.6 Ų18.640.7 Ų40.710%0.09521%0.212CC..Hα-helixtrans-64.3-43.5178.9-69.4163.8000110.8L1288 R1361 P1362 S1367 W1368 N1369 F1453 T1454L1288-I1365 HydrophobicContact CG-CD1 4.49Å; R1361-I1365 HydrophobicContact CB-CD1 4.47Å; R1361-I1365 HydrophobicContact CG-CD1 4.04Å; R1361-I1365 VanDerWaalsContact O-CB 3.32Å; R1361-I1365 WeakPolarHBondContact O-CB 3.4Å; R1361-I1365 WeakPolarHBondContact O-CD1 3.44Å; R1361-I1365 VanDerWaalsContact O-CG1 3.25Å; R1361-I1365 WeakPolarHBondContact O-CG1 3.41Å; R1361-I1365 PolarHBondContact O-N 3.17Å; P1362-I1365 PolarHBondContact O-N 3.08Å; I1365-S1367 VanDerWaalsContact C-N 3.33Å; I1365-S1367 PolarHBondContact O-N 3.17Å; I1365-W1368 PolarHBondContact O-N 3.03Å; I1365-N1369 WeakPolarHBondContact O-CB 3.42Å; I1365-N1369 PolarHBondContact O-N 3.32Å; I1365-N1369 PolarHBondContact O-ND2 3.06Å; I1365-N1369 PolarHBondContact O-OD1 3.25Å; I1365-F1453 HydrophobicContact CG1-CB 4.49Å; I1365-T1454 HydrophobicContact CD1-CG2 3.63Å; I1365-T1454 HydrophobicContact CG1-CG2 4.4Å
1366N89.7Confident90.1Very high99 Ų9935.5 Ų35.553%0.52918%0.184SC..Hα-helixtrans-62.6-40.5176.7-74.4-14.4000111.9P1362 L1364 N1369P1362-N1366 VanDerWaalsContact O-CB 3.28Å; P1362-N1366 WeakPolarHBondContact O-CB 3.38Å; P1362-N1366 PolarHBondContact O-N 3.27Å; P1362-N1366 PolarHBondContact O-ND2 3Å; L1364-N1366 PolarHBondContact O-N 3.32Å; N1366-N1369 PolarHBondContact O-N 3.43Å
1367S90.2Very high90.4Very high25.8 Ų25.838.7 Ų38.718%0.1821%0.205CC..Hα-helixtrans-61.8-49.6172.8-162.10000111.1Y1349 N1363 L1364 I1365 N1369 V1370Y1349-S1367 VanDerWaalsContact OH-C 3.24Å; Y1349-S1367 WeakPolarHBondContact OH-CB 3.49Å; Y1349-S1367 PolarHBondContact OH-O 3.1Å; Y1349-S1367 PolarHBondContact OH-OG 3.03Å; N1363-S1367 VanDerWaalsContact O-CB 3.23Å; N1363-S1367 WeakPolarHBondContact O-CB 3.29Å; N1363-S1367 PolarHBondContact O-N 3.18Å; L1364-S1367 WeakPolarHBondContact O-CB 3.41Å; L1364-S1367 PolarHBondContact O-N 2.94Å; I1365-S1367 VanDerWaalsContact C-N 3.33Å; I1365-S1367 PolarHBondContact O-N 3.17Å; S1367-N1369 VanDerWaalsContact C-N 3.3Å; S1367-N1369 PolarHBondContact O-N 3.33Å; S1367-V1370 VanDerWaalsContact O-CB 3.27Å; S1367-V1370 WeakPolarHBondContact O-CB 3.43Å; S1367-V1370 WeakPolarHBondContact O-CG2 3.34Å; S1367-V1370 PolarHBondContact O-N 3.18Å
1368W92.4Very high90.7Very high1 Ų138.4 Ų38.40%0.00420%0.204CC..Hα-helixtrans-65.8-30.9-178.5-161.9-99.4000113.4Y1320 S1323 L1324 Y1349 L1364 I1365 V1370 I1371 I1372 I1446 Q1449 F1453Y1320-W1368 HydrophobicContact CD2-CH2 4.48Å; Y1320-W1368 HydrophobicContact CD2-CZ3 4.26Å; Y1320-W1368 AromaticContact CE2-CZ3 3.97Å; Y1320-W1368 HydrophobicContact CE2-CZ3 3.97Å; S1323-W1368 WeakPolarHBondContact OG-CH2 3.36Å; L1324-W1368 HydrophobicContact CD2-CH2 4.07Å; L1324-W1368 HydrophobicContact CD2-CZ3 4.1Å; Y1349-W1368 HydrophobicContact CD1-CE3 4.44Å; Y1349-W1368 HydrophobicContact CD1-CZ3 4.29Å; Y1349-W1368 HydrophobicContact CE1-CE3 4.35Å; Y1349-W1368 HydrophobicContact CE1-CZ3 4.38Å; L1364-W1368 WeakPolarHBondContact O-CB 3.35Å; L1364-W1368 PolarHBondContact O-N 3.3Å; I1365-W1368 PolarHBondContact O-N 3.03Å; W1368-V1370 PolarHBondContact O-N 3.08Å; W1368-I1371 HydrophobicContact CD2-CD1 3.89Å; W1368-I1371 HydrophobicContact CE3-CD1 3.46Å; W1368-I1371 VanDerWaalsContact CE3-CD1 3.45Å; W1368-I1371 HydrophobicContact CH2-CD1 3.92Å; W1368-I1371 HydrophobicContact CZ2-CD1 4.31Å; W1368-I1371 HydrophobicContact CZ3-CD1 3.48Å; W1368-I1371 VanDerWaalsContact CZ3-CD1 3.46Å; W1368-I1371 PolarHBondContact O-N 3.19Å; W1368-I1371 VanDerWaalsContact O-N 3.11Å; W1368-I1372 PolarHBondContact O-N 3.07Å; W1368-I1446 HydrophobicContact CZ2-CB 4.24Å; W1368-I1446 HydrophobicContact CZ2-CG2 4.1Å; W1368-I1446 PolarHBondContact NE1-O 3.01Å; W1368-Q1449 HydrophobicContact CH2-CG 4Å; W1368-Q1449 HydrophobicContact CZ2-CB 3.66Å; W1368-Q1449 HydrophobicContact CZ2-CG 3.49Å; W1368-Q1449 VanDerWaalsContact CZ2-CG 3.49Å; W1368-F1453 HydrophobicContact CB-CE2 4.33Å; W1368-F1453 HydrophobicContact CD2-CD2 4.49Å; W1368-F1453 AromaticContact CD2-CE2 3.72Å; W1368-F1453 HydrophobicContact CD2-CE2 3.72Å; W1368-F1453 AromaticContact CE3-CE2 3.89Å; W1368-F1453 HydrophobicContact CE3-CE2 3.89Å; W1368-F1453 HydrophobicContact CE3-CZ 4.44Å; W1368-F1453 HydrophobicContact CG-CD2 4.29Å; W1368-F1453 AromaticContact CG-CE2 3.91Å; W1368-F1453 HydrophobicContact CG-CE2 3.91Å; W1368-F1453 HydrophobicContact CZ3-CE2 4.46Å
1369N92.7Very high91.1Very high25.2 Ų25.236.3 Ų36.314%0.13519%0.193CC..Hα-helixtrans-59.6-25.2171.7-72.5-24.5000112.5F1182 I1365 N1366 S1367 I1372 G1373 R1450F1182-N1369 HydrophobicContact CD1-CB 4.24Å; F1182-N1369 HydrophobicContact CE1-CB 4.07Å; I1365-N1369 WeakPolarHBondContact O-CB 3.42Å; I1365-N1369 PolarHBondContact O-N 3.32Å; I1365-N1369 PolarHBondContact O-ND2 3.06Å; I1365-N1369 PolarHBondContact O-OD1 3.25Å; N1366-N1369 PolarHBondContact O-N 3.43Å; S1367-N1369 VanDerWaalsContact C-N 3.3Å; S1367-N1369 PolarHBondContact O-N 3.33Å; N1369-I1372 PolarHBondContact O-N 3.06Å; N1369-G1373 PolarHBondContact O-N 3.04Å; N1369-R1450 PolarHBondContact OD1-NE 3.22Å
1370V92.1Very high91.4Very high87.2 Ų87.232.7 Ų32.753%0.52818%0.182SC..Hα-helixtrans-67.1-41.1174.2-175.80000111.4S1367 W1368 G1373 Y1374S1367-V1370 VanDerWaalsContact O-CB 3.27Å; S1367-V1370 WeakPolarHBondContact O-CB 3.43Å; S1367-V1370 WeakPolarHBondContact O-CG2 3.34Å; S1367-V1370 PolarHBondContact O-N 3.18Å; W1368-V1370 PolarHBondContact O-N 3.08Å; V1370-G1373 PolarHBondContact O-N 3.14Å; V1370-Y1374 WeakPolarHBondContact O-CB 3.41Å; V1370-Y1374 PolarHBondContact O-N 3.27Å
1371I93.1Very high91.8Very high2 Ų228.7 Ų28.71%0.0117%0.168CC..Hα-helixtrans-64.3-44.9175.6-51.5172.6000110.1V1327 Y1349 W1368 G1373 Y1374 N1375 I1446V1327-I1371 HydrophobicContact CG2-CG2 4.37Å; Y1349-I1371 HydrophobicContact CD1-CD1 4.4Å; Y1349-I1371 HydrophobicContact CD2-CD1 3.74Å; Y1349-I1371 HydrophobicContact CD2-CG1 4.15Å; Y1349-I1371 HydrophobicContact CE1-CD1 4.14Å; Y1349-I1371 HydrophobicContact CE2-CD1 3.45Å; Y1349-I1371 VanDerWaalsContact CE2-CD1 3.44Å; Y1349-I1371 HydrophobicContact CE2-CG1 3.52Å; Y1349-I1371 VanDerWaalsContact CE2-CG1 3.46Å; Y1349-I1371 HydrophobicContact CG-CD1 4.22Å; W1368-I1371 HydrophobicContact CD2-CD1 3.89Å; W1368-I1371 HydrophobicContact CE3-CD1 3.46Å; W1368-I1371 VanDerWaalsContact CE3-CD1 3.45Å; W1368-I1371 HydrophobicContact CH2-CD1 3.92Å; W1368-I1371 HydrophobicContact CZ2-CD1 4.31Å; W1368-I1371 HydrophobicContact CZ3-CD1 3.48Å; W1368-I1371 VanDerWaalsContact CZ3-CD1 3.46Å; W1368-I1371 PolarHBondContact O-N 3.19Å; W1368-I1371 VanDerWaalsContact O-N 3.11Å; I1371-G1373 VanDerWaalsContact C-N 3.33Å; I1371-G1373 PolarHBondContact O-N 3.23Å; I1371-Y1374 PolarHBondContact O-N 2.9Å; I1371-N1375 WeakPolarHBondContact O-CB 3.43Å; I1371-N1375 PolarHBondContact O-N 3.26Å; I1371-I1446 HydrophobicContact CG2-CD1 4.38Å; I1371-I1446 HydrophobicContact CG2-CG2 4.26Å
1372I94.4Very high92Very high0 Ų029.1 Ų29.10%017%0.17CC..Hα-helixtrans-62.1-42178.3-68.2168.7000110.9L1181 F1182 W1368 N1369 F1376 I1446 I1447 R1450L1181-I1372 HydrophobicContact CD1-CG2 3.94Å; L1181-I1372 HydrophobicContact CD2-CG2 4.01Å; L1181-I1372 HydrophobicContact CG-CG2 4.08Å; F1182-I1372 HydrophobicContact CE1-CG2 4.26Å; F1182-I1372 HydrophobicContact CZ-CG2 4.43Å; W1368-I1372 PolarHBondContact O-N 3.07Å; N1369-I1372 PolarHBondContact O-N 3.06Å; I1372-F1376 VanDerWaalsContact O-CB 3.25Å; I1372-F1376 WeakPolarHBondContact O-CB 3.4Å; I1372-F1376 PolarHBondContact O-N 3.15Å; I1372-I1446 HydrophobicContact CB-CD1 4.43Å; I1372-I1446 HydrophobicContact CG1-CB 4.2Å; I1372-I1446 HydrophobicContact CG1-CD1 3.9Å; I1372-I1446 HydrophobicContact CG1-CG1 3.87Å; I1372-I1447 HydrophobicContact CD1-CD1 4.16Å; I1372-I1447 HydrophobicContact CG1-CD1 4.42Å; I1372-I1447 HydrophobicContact CG2-CD1 4.05Å; I1372-R1450 HydrophobicContact CD1-CB 3.91Å; I1372-R1450 HydrophobicContact CD1-CG 4.27Å
1373G94Very high92.2Very high13 Ų1326.7 Ų26.713%0.13415%0.154CC..Hα-helixtrans-63.7-44.6174.100000112.8N1369 V1370 I1371 F1376 C1377N1369-G1373 PolarHBondContact O-N 3.04Å; V1370-G1373 PolarHBondContact O-N 3.14Å; I1371-G1373 VanDerWaalsContact C-N 3.33Å; I1371-G1373 PolarHBondContact O-N 3.23Å; G1373-F1376 PolarHBondContact O-N 3.21Å; G1373-C1377 VanDerWaalsContact O-CB 3.29Å; G1373-C1377 WeakPolarHBondContact O-CB 3.33Å; G1373-C1377 PolarHBondContact O-N 3.12Å; G1373-C1377 PolarHBondContact O-SG 2.87Å
1374Y94.9Very high92.4Very high65.4 Ų65.425.5 Ų25.526%0.25615%0.152SC..Hα-helixtrans-60.4-52.2176.9-173-97.5000111.7F1338 G1341 Y1342 L1345 V1370 I1371 F1376 C1377 V1378F1338-Y1374 WeakPolarHBondContact CA-OH 3.38Å; F1338-Y1374 PolarHBondContact O-OH 3.25Å; G1341-Y1374 WeakPolarHBondContact CA-OH 3.27Å; Y1342-Y1374 AromaticContact CD1-CD1 3.78Å; Y1342-Y1374 HydrophobicContact CD1-CD1 3.78Å; Y1342-Y1374 AromaticContact CD1-CE1 3.84Å; Y1342-Y1374 HydrophobicContact CD1-CE1 3.84Å; Y1342-Y1374 HydrophobicContact CD2-CE1 4.38Å; Y1342-Y1374 AromaticContact CE1-CD1 3.73Å; Y1342-Y1374 HydrophobicContact CE1-CD1 3.73Å; Y1342-Y1374 AromaticContact CE1-CE1 3.93Å; Y1342-Y1374 HydrophobicContact CE1-CE1 3.93Å; Y1342-Y1374 HydrophobicContact CG-CD1 4.48Å; Y1342-Y1374 HydrophobicContact CG-CE1 4.2Å; L1345-Y1374 HydrophobicContact CD1-CD1 3.66Å; L1345-Y1374 HydrophobicContact CD1-CD2 4.36Å; L1345-Y1374 HydrophobicContact CD1-CE1 4.46Å; L1345-Y1374 HydrophobicContact CD1-CG 3.6Å; V1370-Y1374 WeakPolarHBondContact O-CB 3.41Å; V1370-Y1374 PolarHBondContact O-N 3.27Å; I1371-Y1374 PolarHBondContact O-N 2.9Å; Y1374-F1376 PolarHBondContact O-N 3.09Å; Y1374-C1377 PolarHBondContact O-N 3.13Å; Y1374-C1377 VanDerWaalsContact O-N 3.17Å; Y1374-V1378 HydrophobicContact CD1-CG2 4.04Å; Y1374-V1378 HydrophobicContact CE1-CG2 3.51Å; Y1374-V1378 VanDerWaalsContact CE1-CG2 3.49Å; Y1374-V1378 HydrophobicContact CE2-CG2 4.39Å; Y1374-V1378 WeakPolarHBondContact O-CG2 3.41Å; Y1374-V1378 PolarHBondContact O-N 3.11Å
1375N94.6Very high92.4Very high0 Ų027.3 Ų27.30%016%0.161CC..Hα-helixtrans-59.8-44.3178.6172.9-93.1000112.3Y1342 I1371 C1377 V1378 I1379 D1439 C1442 F1443 I1446Y1342-N1375 HydrophobicContact CE1-CB 3.98Å; Y1342-N1375 PolarHBondContact OH-ND2 3.16Å; Y1342-N1375 VanDerWaalsContact OH-ND2 3.1Å; I1371-N1375 WeakPolarHBondContact O-CB 3.43Å; I1371-N1375 PolarHBondContact O-N 3.26Å; N1375-C1377 PolarHBondContact O-N 3.27Å; N1375-V1378 PolarHBondContact O-N 3.11Å; N1375-I1379 WeakPolarHBondContact O-CG1 3.35Å; N1375-I1379 PolarHBondContact O-N 3.3Å; N1375-I1379 WeakPolarHBondContact OD1-CD1 3.39Å; N1375-D1439 PolarHBondContact ND2-O 3.11Å; N1375-C1442 PolarHBondContact ND2-SG 2.83Å; N1375-F1443 WeakPolarHBondContact OD1-CA 3.35Å; N1375-F1443 VanDerWaalsContact OD1-CB 3.27Å; N1375-F1443 WeakPolarHBondContact OD1-CB 3.34Å; N1375-F1443 VanDerWaalsContact OD1-CD2 3.26Å; N1375-F1443 WeakPolarHBondContact OD1-CD2 3.39Å; N1375-I1446 HydrophobicContact CB-CD1 3.64Å
1376F94.9Very high92.3Very high1 Ų126.7 Ų26.70%0.00416%0.158CC..Hα-helixtrans-62.3-42.2175.5172.2-94.1000112.4L1174 M1177 L1178 L1181 I1372 G1373 Y1374 V1378 I1379 L1380L1174-F1376 HydrophobicContact CB-CE2 4.09Å; L1174-F1376 HydrophobicContact CB-CZ 4.08Å; L1174-F1376 HydrophobicContact CD2-CE2 3.87Å; L1174-F1376 WeakPolarHBondContact O-CZ 3.33Å; M1177-F1376 HydrophobicContact CE-CD2 3.6Å; M1177-F1376 HydrophobicContact CE-CE2 3.51Å; M1177-F1376 VanDerWaalsContact CE-CE2 3.47Å; L1178-F1376 HydrophobicContact CB-CE1 3.94Å; L1178-F1376 HydrophobicContact CB-CZ 3.89Å; L1178-F1376 HydrophobicContact CD1-CD1 4.25Å; L1178-F1376 HydrophobicContact CD1-CE1 3.79Å; L1178-F1376 HydrophobicContact CD2-CE1 4.42Å; L1178-F1376 HydrophobicContact CG-CE1 4.25Å; L1181-F1376 HydrophobicContact CD2-CB 3.78Å; L1181-F1376 HydrophobicContact CD2-CD1 4.18Å; L1181-F1376 HydrophobicContact CD2-CD2 3.98Å; L1181-F1376 HydrophobicContact CD2-CG 3.68Å; I1372-F1376 VanDerWaalsContact O-CB 3.25Å; I1372-F1376 WeakPolarHBondContact O-CB 3.4Å; I1372-F1376 PolarHBondContact O-N 3.15Å; G1373-F1376 PolarHBondContact O-N 3.21Å; Y1374-F1376 PolarHBondContact O-N 3.09Å; F1376-V1378 VanDerWaalsContact C-N 3.35Å; F1376-V1378 PolarHBondContact O-N 2.98Å; F1376-I1379 PolarHBondContact O-N 3.09Å; F1376-L1380 HydrophobicContact CE1-CD1 3.93Å; F1376-L1380 HydrophobicContact CE1-CD2 4.26Å; F1376-L1380 HydrophobicContact CZ-CD1 3.9Å; F1376-L1380 HydrophobicContact CZ-CD2 4.5Å; F1376-L1380 WeakPolarHBondContact O-CB 3.26Å; F1376-L1380 PolarHBondContact O-N 3.12Å
1377C93.9Very high92.2Very high73.2 Ų73.223.9 Ų23.950%0.49514%0.143SC..Hα-helixtrans-65.6-35.1176-73.90000112.5G1373 Y1374 N1375 L1380 A1381G1373-C1377 VanDerWaalsContact O-CB 3.29Å; G1373-C1377 WeakPolarHBondContact O-CB 3.33Å; G1373-C1377 PolarHBondContact O-N 3.12Å; G1373-C1377 PolarHBondContact O-SG 2.87Å; Y1374-C1377 PolarHBondContact O-N 3.13Å; Y1374-C1377 VanDerWaalsContact O-N 3.17Å; N1375-C1377 PolarHBondContact O-N 3.27Å; C1377-L1380 PolarHBondContact O-N 3.18Å; C1377-A1381 VanDerWaalsContact O-CB 3.24Å; C1377-A1381 WeakPolarHBondContact O-CB 3.35Å; C1377-A1381 PolarHBondContact O-N 3Å
1378V93.6Very high91.9Very high2.8 Ų2.825.9 Ų25.92%0.01715%0.15CC..Hα-helixtrans-63.6-45.2171.8170.50000111F1338 Y1342 Y1374 N1375 F1376 L1380 A1381 K1382 D1439F1338-V1378 HydrophobicContact CB-CG1 3.77Å; F1338-V1378 HydrophobicContact CB-CG2 3.96Å; F1338-V1378 HydrophobicContact CD1-CG1 4.36Å; F1338-V1378 HydrophobicContact CD1-CG2 3.97Å; F1338-V1378 HydrophobicContact CG-CG1 4.04Å; F1338-V1378 HydrophobicContact CG-CG2 4.28Å; Y1342-V1378 HydrophobicContact CE2-CG1 4.28Å; Y1342-V1378 HydrophobicContact CE2-CG2 4.43Å; Y1342-V1378 WeakPolarHBondContact OH-CG1 3.46Å; Y1374-V1378 HydrophobicContact CD1-CG2 4.04Å; Y1374-V1378 HydrophobicContact CE1-CG2 3.51Å; Y1374-V1378 VanDerWaalsContact CE1-CG2 3.49Å; Y1374-V1378 HydrophobicContact CE2-CG2 4.39Å; Y1374-V1378 WeakPolarHBondContact O-CG2 3.41Å; Y1374-V1378 PolarHBondContact O-N 3.11Å; N1375-V1378 PolarHBondContact O-N 3.11Å; F1376-V1378 VanDerWaalsContact C-N 3.35Å; F1376-V1378 PolarHBondContact O-N 2.98Å; V1378-L1380 PolarHBondContact O-N 3.36Å; V1378-A1381 PolarHBondContact O-N 3.19Å; V1378-K1382 HydrophobicContact CG1-CD 3.95Å; V1378-K1382 HydrophobicContact CG1-CG 4.36Å; V1378-K1382 WeakPolarHBondContact O-CB 3.29Å; V1378-K1382 WeakPolarHBondContact O-CG 3.4Å; V1378-K1382 PolarHBondContact O-N 3.33Å; V1378-D1439 WeakPolarHBondContact CG1-OD1 3.45Å
1379I93.3Very high91.3Very high1.4 Ų1.426.1 Ų26.11%0.00715%0.152CC..Hα-helixtrans-61-46.3176.2-68.1166.2000110.5V1159 L1174 N1375 F1376 A1381 K1382 C1383 L1436 D1439 F1443V1159-I1379 HydrophobicContact CG1-CD1 4.05Å; L1174-I1379 HydrophobicContact CD1-CG2 3.99Å; L1174-I1379 HydrophobicContact CD2-CG2 4.14Å; N1375-I1379 WeakPolarHBondContact O-CG1 3.35Å; N1375-I1379 PolarHBondContact O-N 3.3Å; N1375-I1379 WeakPolarHBondContact OD1-CD1 3.39Å; F1376-I1379 PolarHBondContact O-N 3.09Å; I1379-A1381 PolarHBondContact O-N 2.94Å; I1379-K1382 PolarHBondContact O-N 3.17Å; I1379-C1383 WeakPolarHBondContact O-CB 3.28Å; I1379-C1383 PolarHBondContact O-N 3.29Å; I1379-C1383 PolarHBondContact O-SG 3.02Å; I1379-C1383 VanDerWaalsContact O-SG 3.37Å; I1379-L1436 HydrophobicContact CB-CD1 4.45Å; I1379-L1436 HydrophobicContact CG1-CD1 4.34Å; I1379-L1436 HydrophobicContact CG2-CD1 4.34Å; I1379-D1439 HydrophobicContact CD1-CB 4.16Å; I1379-D1439 HydrophobicContact CG1-CB 3.72Å; I1379-F1443 HydrophobicContact CD1-CB 4.27Å; I1379-F1443 HydrophobicContact CD1-CD2 4.48Å; I1379-F1443 HydrophobicContact CD1-CG 4.43Å
1380L94.1Very high90.8Very high36 Ų3625.2 Ų25.219%0.18815%0.148CC..Hα-helixtrans-62.4-44177.1-175.3119.5000112.4V1171 L1174 L1175 F1376 C1377 V1378 C1383 S1384V1171-L1380 HydrophobicContact CG1-CD1 4.3Å; L1174-L1380 HydrophobicContact CB-CD1 3.96Å; L1174-L1380 HydrophobicContact CD1-CB 4.11Å; L1174-L1380 HydrophobicContact CD1-CD1 4.01Å; L1174-L1380 HydrophobicContact CD1-CG 4.32Å; L1174-L1380 HydrophobicContact CG-CD1 4.49Å; L1175-L1380 HydrophobicContact CD2-CD1 4.21Å; L1175-L1380 HydrophobicContact CD2-CD2 4.39Å; L1175-L1380 HydrophobicContact CG-CD1 4.45Å; F1376-L1380 HydrophobicContact CE1-CD1 3.93Å; F1376-L1380 HydrophobicContact CE1-CD2 4.26Å; F1376-L1380 HydrophobicContact CZ-CD1 3.9Å; F1376-L1380 HydrophobicContact CZ-CD2 4.5Å; F1376-L1380 WeakPolarHBondContact O-CB 3.26Å; F1376-L1380 PolarHBondContact O-N 3.12Å; C1377-L1380 PolarHBondContact O-N 3.18Å; V1378-L1380 PolarHBondContact O-N 3.36Å; L1380-C1383 PolarHBondContact O-N 2.87Å; L1380-S1384 VanDerWaalsContact O-CB 3.32Å; L1380-S1384 WeakPolarHBondContact O-CB 3.39Å; L1380-S1384 PolarHBondContact O-N 2.96Å; L1380-S1384 PolarHBondContact O-OG 3.16Å
1381A92Very high90.3Very high28.6 Ų28.621.1 Ų21.124%0.23612%0.123CC..Hα-helixtrans-63.8-47.5176.700000111.4F1338 C1377 V1378 I1379 C1383 S1384 L1385F1338-A1381 HydrophobicContact CE1-CB 3.81Å; F1338-A1381 HydrophobicContact CZ-CB 3.81Å; C1377-A1381 VanDerWaalsContact O-CB 3.24Å; C1377-A1381 WeakPolarHBondContact O-CB 3.35Å; C1377-A1381 PolarHBondContact O-N 3Å; V1378-A1381 PolarHBondContact O-N 3.19Å; I1379-A1381 PolarHBondContact O-N 2.94Å; A1381-C1383 PolarHBondContact O-N 3.11Å; A1381-S1384 PolarHBondContact O-N 3.21Å; A1381-L1385 WeakPolarHBondContact O-CB 3.4Å; A1381-L1385 VanDerWaalsContact O-CG 3.27Å; A1381-L1385 WeakPolarHBondContact O-CG 3.37Å; A1381-L1385 PolarHBondContact O-N 2.98Å
1382K90.3Very high89.9Confident8.8 Ų8.824.5 Ų24.54%0.03814%0.136CC..Hα-helixtrans-60.9-44.5177.4-75.1-179.8-179.9-176.70112F1338 V1378 I1379 S1384 L1385 Q1386 S1434 L1436 D1439F1338-K1382 HydrophobicContact CD2-CG 4.18Å; F1338-K1382 HydrophobicContact CE2-CG 4.13Å; V1378-K1382 HydrophobicContact CG1-CD 3.95Å; V1378-K1382 HydrophobicContact CG1-CG 4.36Å; V1378-K1382 WeakPolarHBondContact O-CB 3.29Å; V1378-K1382 WeakPolarHBondContact O-CG 3.4Å; V1378-K1382 PolarHBondContact O-N 3.33Å; I1379-K1382 PolarHBondContact O-N 3.17Å; K1382-S1384 VanDerWaalsContact C-N 3.32Å; K1382-S1384 PolarHBondContact O-N 3.32Å; K1382-L1385 PolarHBondContact O-N 3.13Å; K1382-Q1386 WeakPolarHBondContact O-CG 3.35Å; K1382-Q1386 PolarHBondContact O-N 3.1Å; K1382-S1434 WeakPolarHBondContact CD-O 3.38Å; K1382-S1434 WeakPolarHBondContact CE-O 3.46Å; K1382-S1434 PolarHBondContact NZ-O 3.25Å; K1382-L1436 HydrophobicContact CB-CD1 4.16Å; K1382-L1436 HydrophobicContact CD-CD1 4.26Å; K1382-D1439 WeakPolarHBondContact CD-OD2 3.41Å; K1382-D1439 WeakPolarHBondContact CE-OD2 3.34Å; K1382-D1439 VanDerWaalsContact NZ-CG 3.34Å; K1382-D1439 IonicContact NZ-OD1 2.94Å; K1382-D1439 PolarHBondContact NZ-OD1 3.32Å; K1382-D1439 IonicContact NZ-OD2 3.1Å; K1382-D1439 PolarHBondContact NZ-OD2 2.92Å
1383C90.2Very high89Confident0.4 Ų0.429.3 Ų29.30%0.00315%0.154CC..Hα-helixtrans-64.6-37.5175.7-69.40000112.7T1162 V1171 L1174 I1379 L1380 A1381 Q1386T1162-C1383 HydrophobicContact CG2-CB 4.46Å; T1162-C1383 VanDerWaalsContact CG2-SG 3.55Å; T1162-C1383 WeakPolarHBondContact CG2-SG 3.33Å; V1171-C1383 HydrophobicContact CG2-CB 4.43Å; L1174-C1383 HydrophobicContact CD1-CB 4.12Å; I1379-C1383 WeakPolarHBondContact O-CB 3.28Å; I1379-C1383 PolarHBondContact O-N 3.29Å; I1379-C1383 PolarHBondContact O-SG 3.02Å; I1379-C1383 VanDerWaalsContact O-SG 3.37Å; L1380-C1383 PolarHBondContact O-N 2.87Å; A1381-C1383 PolarHBondContact O-N 3.11Å; C1383-Q1386 WeakPolarHBondContact O-CB 3.23Å; C1383-Q1386 PolarHBondContact O-N 3.27Å
1384S90.8Very high88.1Confident45.6 Ų45.631.9 Ų31.932%0.31917%0.17SC..Hα-helixtrans-68.8-38.8175.4-57.50000112.4L1380 A1381 K1382 Q1386 L1387L1380-S1384 VanDerWaalsContact O-CB 3.32Å; L1380-S1384 WeakPolarHBondContact O-CB 3.39Å; L1380-S1384 PolarHBondContact O-N 2.96Å; L1380-S1384 PolarHBondContact O-OG 3.16Å; A1381-S1384 PolarHBondContact O-N 3.21Å; K1382-S1384 VanDerWaalsContact C-N 3.32Å; K1382-S1384 PolarHBondContact O-N 3.32Å; S1384-Q1386 PolarHBondContact O-N 3.21Å; S1384-L1387 VanDerWaalsContact O-CB 3.3Å; S1384-L1387 WeakPolarHBondContact O-CB 3.32Å; S1384-L1387 PolarHBondContact O-N 3.11Å; S1384-L1387 VanDerWaalsContact O-N 3.16Å
1385L89.2Confident87.4Confident38.4 Ų38.437.8 Ų37.820%0.20119%0.192CC..Hα-helixtrans-66.8-16.5178.2-75.4166.9000113.7F1338 A1381 K1382 L1387 M1388 G1389 F1406 V1408F1338-L1385 HydrophobicContact CE2-CD1 3.88Å; F1338-L1385 HydrophobicContact CZ-CD1 3.78Å; A1381-L1385 WeakPolarHBondContact O-CB 3.4Å; A1381-L1385 VanDerWaalsContact O-CG 3.27Å; A1381-L1385 WeakPolarHBondContact O-CG 3.37Å; A1381-L1385 PolarHBondContact O-N 2.98Å; K1382-L1385 PolarHBondContact O-N 3.13Å; L1385-L1387 PolarHBondContact O-N 3.08Å; L1385-M1388 HydrophobicContact CD2-CG 4.46Å; L1385-M1388 HydrophobicContact CD2-SD 3.82Å; L1385-M1388 WeakPolarHBondContact O-CB 3.38Å; L1385-M1388 PolarHBondContact O-N 3.03Å; L1385-M1388 VanDerWaalsContact O-N 3.08Å; L1385-G1389 PolarHBondContact O-N 3.06Å; L1385-F1406 HydrophobicContact CD1-CB 4.04Å; L1385-F1406 HydrophobicContact CD1-CD1 4.28Å; L1385-F1406 HydrophobicContact CD1-CG 4.27Å; L1385-V1408 HydrophobicContact CB-CG2 4.36Å; L1385-V1408 HydrophobicContact CD1-CG2 4.43Å; L1385-V1408 HydrophobicContact CD2-CG2 4.41Å
1386Q87.5Confident86.5Confident5.8 Ų5.839.6 Ų39.63%0.02720%0.201CC..Hα-helixtrans-63.7-26.2173.1-64.4-78.3-40.900112V1166 K1382 C1383 S1384 M1388 G1389 C1390 Q1409 M1411V1166-Q1386 HydrophobicContact CG1-CB 3.88Å; V1166-Q1386 HydrophobicContact CG1-CG 3.42Å; V1166-Q1386 VanDerWaalsContact CG1-CG 3.42Å; K1382-Q1386 WeakPolarHBondContact O-CG 3.35Å; K1382-Q1386 PolarHBondContact O-N 3.1Å; C1383-Q1386 WeakPolarHBondContact O-CB 3.23Å; C1383-Q1386 PolarHBondContact O-N 3.27Å; S1384-Q1386 PolarHBondContact O-N 3.21Å; Q1386-M1388 VanDerWaalsContact C-N 3.33Å; Q1386-M1388 PolarHBondContact O-N 2.96Å; Q1386-G1389 PolarHBondContact O-N 3.17Å; Q1386-C1390 VanDerWaalsContact O-CB 3.29Å; Q1386-C1390 WeakPolarHBondContact O-CB 3.31Å; Q1386-C1390 PolarHBondContact O-N 3.43Å; Q1386-C1390 PolarHBondContact O-SG 3.11Å; Q1386-C1390 VanDerWaalsContact O-SG 3.4Å; Q1386-Q1409 PolarHBondContact NE2-O 3.09Å; Q1386-Q1409 PolarHBondContact OE1-O 3.18Å; Q1386-M1411 VanDerWaalsContact OE1-N 3.07Å
1387L87.4Confident85.4Confident41 Ų4141.1 Ų41.122%0.21521%0.213CC..Iπ-helixtrans-57.2-50.1167.8176.360000110.7L1233 W1236 S1384 L1385 G1389 V1391 Y1392L1233-L1387 HydrophobicContact CD1-CD1 3.69Å; W1236-L1387 HydrophobicContact CD2-CB 4.33Å; W1236-L1387 HydrophobicContact CD2-CD1 3.91Å; W1236-L1387 HydrophobicContact CE3-CD1 3.75Å; W1236-L1387 HydrophobicContact CG-CD1 4.38Å; W1236-L1387 HydrophobicContact CH2-CB 4.33Å; W1236-L1387 HydrophobicContact CH2-CD1 4.45Å; W1236-L1387 HydrophobicContact CH2-CD2 4.27Å; W1236-L1387 HydrophobicContact CZ2-CB 3.94Å; W1236-L1387 HydrophobicContact CZ3-CD1 4.05Å; W1236-L1387 HydrophobicContact CZ3-CD2 4.35Å; S1384-L1387 VanDerWaalsContact O-CB 3.3Å; S1384-L1387 WeakPolarHBondContact O-CB 3.32Å; S1384-L1387 PolarHBondContact O-N 3.11Å; S1384-L1387 VanDerWaalsContact O-N 3.16Å; L1385-L1387 PolarHBondContact O-N 3.08Å; L1387-G1389 VanDerWaalsContact C-N 3.34Å; L1387-G1389 PolarHBondContact O-N 2.86Å; L1387-V1391 HydrophobicContact CD1-CB 4.23Å; L1387-V1391 HydrophobicContact CD1-CG2 3.8Å; L1387-V1391 WeakPolarHBondContact O-CB 3.42Å; L1387-V1391 WeakPolarHBondContact O-CG2 3.4Å; L1387-V1391 PolarHBondContact O-N 3.39Å; L1387-V1391 VanDerWaalsContact O-N 3.12Å; L1387-Y1392 HydrophobicContact CD1-CE2 4.17Å; L1387-Y1392 HydrophobicContact CG-CD2 4.47Å; L1387-Y1392 HydrophobicContact CG-CE2 4.27Å
1388M85.1Confident84.6Confident66.4 Ų66.444.9 Ų44.933%0.32723%0.229SC..Iπ-helixtrans-67.6-37.6178.6-58-96.898.600112.1L1385 Q1386 Y1392 M1396L1385-M1388 HydrophobicContact CD2-CG 4.46Å; L1385-M1388 HydrophobicContact CD2-SD 3.82Å; L1385-M1388 WeakPolarHBondContact O-CB 3.38Å; L1385-M1388 PolarHBondContact O-N 3.03Å; L1385-M1388 VanDerWaalsContact O-N 3.08Å; Q1386-M1388 VanDerWaalsContact C-N 3.33Å; Q1386-M1388 PolarHBondContact O-N 2.96Å; M1388-Y1392 HydrophobicContact CE-CD2 3.86Å; M1388-Y1392 HydrophobicContact CE-CE2 3.91Å; M1388-Y1392 CarbonylContact O-C 3.58Å; M1388-Y1392 PolarHBondContact O-N 3.1Å; M1388-Y1392 HydrophobicContact SD-CD2 4.22Å; M1388-M1396 HydrophobicContact CE-CE 3.43Å; M1388-M1396 VanDerWaalsContact CE-CE 3.46Å; M1388-M1396 HydrophobicContact CE-SD 3.97Å; M1388-M1396 HydrophobicContact SD-CE 3.81Å
1389G79.4Confident84.1Confident5 Ų549 Ų495%0.05225%0.248CC..Iπ-helixtrans-77.8-33.5-175.300000116.3L1385 Q1386 L1387 V1408L1385-G1389 PolarHBondContact O-N 3.06Å; Q1386-G1389 PolarHBondContact O-N 3.17Å; L1387-G1389 VanDerWaalsContact C-N 3.34Å; L1387-G1389 PolarHBondContact O-N 2.86Å; G1389-V1408 VanDerWaalsContact CA-CG1 3.44Å
1390C81.1Confident83.5Confident7 Ų750.3 Ų50.35%0.04726%0.257CS..Iπ-helixtrans-96.7-40.3179.9-59.10000112.4N1232 Q1386 C1410 W1416N1232-C1390 PolarHBondContact ND2-O 3.23Å; Q1386-C1390 VanDerWaalsContact O-CB 3.29Å; Q1386-C1390 WeakPolarHBondContact O-CB 3.31Å; Q1386-C1390 PolarHBondContact O-N 3.43Å; Q1386-C1390 PolarHBondContact O-SG 3.11Å; Q1386-C1390 VanDerWaalsContact O-SG 3.4Å; C1390-C1410 VanDerWaalsContact CA-SG 3.55Å; C1390-C1410 HydrophobicContact CB-CB 4.03Å; C1390-C1410 WeakPolarHBondContact CB-SG 3.35Å; C1390-C1410 VanDerWaalsContact SG-CA 3.56Å; C1390-C1410 WeakPolarHBondContact SG-CA 3.34Å; C1390-C1410 WeakPolarHBondContact SG-CB 3.38Å; C1390-C1410 CovalentContact SG-SG 2.04Å; C1390-C1410 PolarHBondContact SG-SG 3.19Å; C1390-W1416 HydrophobicContact CB-CH2 3.74Å; C1390-W1416 HydrophobicContact CB-CZ2 3.75Å; C1390-W1416 HydrophobicContact CB-CZ3 4.38Å
1391V83.3Confident83Confident1 Ų156.2 Ų56.21%0.00628%0.277CS..Iπ-helixtrans-86.1-60.7-174.6-175.80000111.4E1229 N1232 L1233 W1236 L1387 R1393E1229-V1391 VanDerWaalsContact O-CG1 3.29Å; E1229-V1391 WeakPolarHBondContact O-CG1 3.36Å; N1232-V1391 HydrophobicContact CB-CB 4.4Å; N1232-V1391 HydrophobicContact CB-CG1 4.19Å; N1232-V1391 HydrophobicContact CB-CG2 4.37Å; L1233-V1391 HydrophobicContact CB-CG1 3.77Å; L1233-V1391 HydrophobicContact CB-CG2 4.5Å; L1233-V1391 HydrophobicContact CD1-CG1 4.35Å; L1233-V1391 HydrophobicContact CD1-CG2 4.48Å; W1236-V1391 HydrophobicContact CB-CG2 3.95Å; W1236-V1391 HydrophobicContact CG-CG2 4.42Å; L1387-V1391 HydrophobicContact CD1-CB 4.23Å; L1387-V1391 HydrophobicContact CD1-CG2 3.8Å; L1387-V1391 WeakPolarHBondContact O-CB 3.42Å; L1387-V1391 WeakPolarHBondContact O-CG2 3.4Å; L1387-V1391 PolarHBondContact O-N 3.39Å; L1387-V1391 VanDerWaalsContact O-N 3.12Å; V1391-R1393 VanDerWaalsContact C-N 3.28Å; V1391-R1393 PolarHBondContact O-N 2.98Å; V1391-R1393 VanDerWaalsContact O-N 3.15Å
1392Y83.9Confident82.6Confident73.8 Ų73.856.9 Ų56.929%0.28928%0.277SS..SBendtrans-89.926.9-171.3-59.6-69.9000113.9L1387 M1388 S1394 R1395 M1396L1387-Y1392 HydrophobicContact CD1-CE2 4.17Å; L1387-Y1392 HydrophobicContact CG-CD2 4.47Å; L1387-Y1392 HydrophobicContact CG-CE2 4.27Å; M1388-Y1392 HydrophobicContact CE-CD2 3.86Å; M1388-Y1392 HydrophobicContact CE-CE2 3.91Å; M1388-Y1392 CarbonylContact O-C 3.58Å; M1388-Y1392 PolarHBondContact O-N 3.1Å; M1388-Y1392 HydrophobicContact SD-CD2 4.22Å; Y1392-S1394 VanDerWaalsContact C-N 3.3Å; Y1392-S1394 PolarHBondContact O-N 3.18Å; Y1392-R1395 WeakPolarHBondContact O-CB 3.35Å; Y1392-R1395 PolarHBondContact O-N 3.15Å; Y1392-R1395 VanDerWaalsContact O-N 3.12Å; Y1392-M1396 WeakPolarHBondContact O-CB 3.33Å; Y1392-M1396 WeakPolarHBondContact O-CG 3.38Å; Y1392-M1396 PolarHBondContact O-N 3.32Å
1393R75.2Confident82Confident101 Ų10157.4 Ų57.438%0.38128%0.279SS..Hα-helixtrans-59.5-39.1-175-173.7174.8179.8792.7112.9V1391 M1396 A1397V1391-R1393 VanDerWaalsContact C-N 3.28Å; V1391-R1393 PolarHBondContact O-N 2.98Å; V1391-R1393 VanDerWaalsContact O-N 3.15Å; R1393-M1396 PolarHBondContact O-N 3.41Å; R1393-A1397 PolarHBondContact O-N 3.26Å; R1393-A1397 VanDerWaalsContact O-N 3.12Å
1394S75.3Confident81.6Confident66.4 Ų66.461 Ų6146%0.46430%0.296SS..Hα-helixtrans-51.7-57.9169.741.70000111.8E1229 Y1392 M1396 A1397E1229-S1394 VanDerWaalsContact CD-OG 3.27Å; E1229-S1394 WeakPolarHBondContact OE1-CB 3.34Å; E1229-S1394 PolarHBondContact OE1-OG 3.24Å; Y1392-S1394 VanDerWaalsContact C-N 3.3Å; Y1392-S1394 PolarHBondContact O-N 3.18Å; S1394-M1396 VanDerWaalsContact C-N 3.33Å; S1394-M1396 PolarHBondContact O-N 3.18Å; S1394-A1397 VanDerWaalsContact O-CB 3.32Å; S1394-A1397 WeakPolarHBondContact O-CB 3.34Å; S1394-A1397 PolarHBondContact O-N 3.23Å
1395R80.1Confident81.4Confident189.2 Ų189.261.9 Ų61.971%0.71430%0.297SS*.Hα-helixtrans-68.2-30.6-176.1-164.3153.5-176.2881.3113Y1392Y1392-R1395 WeakPolarHBondContact O-CB 3.35Å; Y1392-R1395 PolarHBondContact O-N 3.15Å; Y1392-R1395 VanDerWaalsContact O-N 3.12Å
1396M75.4Confident81.1Confident37.8 Ų37.862.8 Ų62.819%0.18630%0.299CS..Hα-helixtrans-84.8-9.6179.2-66.3-63.7175.500114.2M1388 Y1392 R1393 S1394 N1398 Q1399 L1402 I1403M1388-M1396 HydrophobicContact CE-CE 3.43Å; M1388-M1396 VanDerWaalsContact CE-CE 3.46Å; M1388-M1396 HydrophobicContact CE-SD 3.97Å; M1388-M1396 HydrophobicContact SD-CE 3.81Å; Y1392-M1396 WeakPolarHBondContact O-CB 3.33Å; Y1392-M1396 WeakPolarHBondContact O-CG 3.38Å; Y1392-M1396 PolarHBondContact O-N 3.32Å; R1393-M1396 PolarHBondContact O-N 3.41Å; S1394-M1396 VanDerWaalsContact C-N 3.33Å; S1394-M1396 PolarHBondContact O-N 3.18Å; M1396-N1398 PolarHBondContact O-N 2.98Å; M1396-N1398 VanDerWaalsContact O-N 3.15Å; M1396-Q1399 CarbonylContact O-C 3.56Å; M1396-Q1399 PolarHBondContact O-N 3.15Å; M1396-L1402 HydrophobicContact SD-CD2 4.31Å; M1396-I1403 HydrophobicContact CB-CD1 4.02Å; M1396-I1403 HydrophobicContact CB-CG1 4.42Å; M1396-I1403 WeakPolarHBondContact O-CD1 3.38Å
1397A72.1Confident80.7Confident32.6 Ų32.662.8 Ų62.827%0.26930%0.301SS..G310 helixtrans-56.4-32.117900000113.2R1393 S1394 Q1399R1393-A1397 PolarHBondContact O-N 3.26Å; R1393-A1397 VanDerWaalsContact O-N 3.12Å; S1394-A1397 VanDerWaalsContact O-CB 3.32Å; S1394-A1397 WeakPolarHBondContact O-CB 3.34Å; S1394-A1397 PolarHBondContact O-N 3.23Å; A1397-Q1399 VanDerWaalsContact C-N 3.26Å; A1397-Q1399 PolarHBondContact O-N 3.09Å
1398N77.6Confident80.3Confident154.2 Ų154.261.5 Ų61.583%0.82530%0.295SS*.G310 helixtrans-75-10.6176.7-66.90.7000113.8M1396M1396-N1398 PolarHBondContact O-N 2.98Å; M1396-N1398 VanDerWaalsContact O-N 3.15Å
1399Q82.3Confident79.8Confident88 Ų8861.2 Ų61.241%0.41129%0.293SS..G310 helixtrans-118.848.6-175.3-63.9-169.4-8.300111.6M1396 A1397 W1401 L1402 I1403M1396-Q1399 CarbonylContact O-C 3.56Å; M1396-Q1399 PolarHBondContact O-N 3.15Å; A1397-Q1399 VanDerWaalsContact C-N 3.26Å; A1397-Q1399 PolarHBondContact O-N 3.09Å; Q1399-W1401 VanDerWaalsContact C-N 3.26Å; Q1399-W1401 PolarHBondContact O-N 3.14Å; Q1399-W1401 VanDerWaalsContact O-N 3.1Å; Q1399-L1402 HydrophobicContact CB-CB 4.33Å; Q1399-L1402 VanDerWaalsContact O-CB 3.28Å; Q1399-L1402 WeakPolarHBondContact O-CB 3.3Å; Q1399-L1402 PolarHBondContact O-N 3.16Å; Q1399-I1403 PolarHBondContact O-N 3.19Å
1400C80.1Confident79.6Confident29.6 Ų29.662.1 Ų62.120%0.230%0.298CS..Hα-helixtrans-53.3-36.6-173.8-142.70000114.6L1402 I1403 Q1404 S1428 C1429C1400-L1402 VanDerWaalsContact C-N 3.25Å; C1400-L1402 PolarHBondContact O-N 3.28Å; C1400-I1403 PolarHBondContact O-N 3.18Å; C1400-Q1404 WeakPolarHBondContact O-CB 3.4Å; C1400-Q1404 WeakPolarHBondContact O-CG 3.27Å; C1400-Q1404 PolarHBondContact O-N 3.23Å; C1400-S1428 PolarHBondContact SG-O 3.21Å; C1400-S1428 VanDerWaalsContact SG-O 3.34Å; C1400-C1429 WeakPolarHBondContact CA-SG 3.4Å; C1400-C1429 HydrophobicContact CB-CB 4.27Å; C1400-C1429 WeakPolarHBondContact CB-SG 3.44Å; C1400-C1429 VanDerWaalsContact SG-CA 3.57Å; C1400-C1429 WeakPolarHBondContact SG-CA 3.36Å; C1400-C1429 WeakPolarHBondContact SG-CB 3.42Å; C1400-C1429 CovalentContact SG-SG 2.04Å; C1400-C1429 PolarHBondContact SG-SG 3.15Å
1401W84.3Confident79.2Confident158.6 Ų158.664.7 Ų64.760%0.60131%0.31SS*.Hα-helixtrans-58.3-35.6176.970.4-93.4000112.8Q1399 Q1404 L1405Q1399-W1401 VanDerWaalsContact C-N 3.26Å; Q1399-W1401 PolarHBondContact O-N 3.14Å; Q1399-W1401 VanDerWaalsContact O-N 3.1Å; W1401-Q1404 PolarHBondContact O-N 3.19Å; W1401-L1405 HydrophobicContact CE3-CD2 4.43Å; W1401-L1405 HydrophobicContact CZ3-CD2 4.08Å; W1401-L1405 VanDerWaalsContact O-CB 3.26Å; W1401-L1405 WeakPolarHBondContact O-CB 3.33Å; W1401-L1405 PolarHBondContact O-N 3.2Å
1402L83.2Confident78.2Confident44.8 Ų44.867.5 Ų67.524%0.23533%0.325CS..Hα-helixtrans-73.1-42.2-179.6-170.187.8000110.8M1396 Q1399 C1400 Q1404 L1405 F1406M1396-L1402 HydrophobicContact SD-CD2 4.31Å; Q1399-L1402 HydrophobicContact CB-CB 4.33Å; Q1399-L1402 VanDerWaalsContact O-CB 3.28Å; Q1399-L1402 WeakPolarHBondContact O-CB 3.3Å; Q1399-L1402 PolarHBondContact O-N 3.16Å; C1400-L1402 VanDerWaalsContact C-N 3.25Å; C1400-L1402 PolarHBondContact O-N 3.28Å; L1402-Q1404 VanDerWaalsContact C-N 3.3Å; L1402-Q1404 PolarHBondContact O-N 3.33Å; L1402-L1405 PolarHBondContact O-N 3.14Å; L1402-F1406 HydrophobicContact CD1-CD2 4.03Å; L1402-F1406 HydrophobicContact CD1-CE2 3.88Å; L1402-F1406 HydrophobicContact CD2-CD2 3.81Å; L1402-F1406 HydrophobicContact CD2-CE2 4.05Å; L1402-F1406 HydrophobicContact CG-CD2 4.22Å; L1402-F1406 HydrophobicContact CG-CE2 4.29Å; L1402-F1406 WeakPolarHBondContact O-CD2 3.38Å; L1402-F1406 PolarHBondContact O-N 3.24Å
1403I79.2Confident76.8Confident18.8 Ų18.867.3 Ų67.310%0.09633%0.333CS..Hα-helixtrans-59.7-43.2174.4-63.2175.7000110.2M1396 Q1399 C1400 G1407 V1408 T1431M1396-I1403 HydrophobicContact CB-CD1 4.02Å; M1396-I1403 HydrophobicContact CB-CG1 4.42Å; M1396-I1403 WeakPolarHBondContact O-CD1 3.38Å; Q1399-I1403 PolarHBondContact O-N 3.19Å; C1400-I1403 PolarHBondContact O-N 3.18Å; I1403-G1407 PolarHBondContact O-N 2.96Å; I1403-G1407 VanDerWaalsContact O-N 3.11Å; I1403-V1408 HydrophobicContact CG2-CB 4.34Å; I1403-V1408 WeakPolarHBondContact CG2-O 3.45Å; I1403-V1408 PolarHBondContact O-N 3.02Å; I1403-T1431 HydrophobicContact CG2-CG2 4.06Å
1404Q81.5Confident75.6Confident77 Ų7768.5 Ų68.536%0.3635%0.346SS..Hα-helixtrans-70.3-46.3178.9-71.4176.8-24.600112.6C1400 W1401 L1402 F1406 G1407 A1430 T1431C1400-Q1404 WeakPolarHBondContact O-CB 3.4Å; C1400-Q1404 WeakPolarHBondContact O-CG 3.27Å; C1400-Q1404 PolarHBondContact O-N 3.23Å; W1401-Q1404 PolarHBondContact O-N 3.19Å; L1402-Q1404 VanDerWaalsContact C-N 3.3Å; L1402-Q1404 PolarHBondContact O-N 3.33Å; Q1404-F1406 VanDerWaalsContact C-N 3.28Å; Q1404-F1406 PolarHBondContact O-N 3.05Å; Q1404-G1407 PolarHBondContact O-N 3.31Å; Q1404-G1407 VanDerWaalsContact O-N 3.13Å; Q1404-A1430 PolarHBondContact NE2-O 2.88Å; Q1404-T1431 HydrophobicContact CG-CG2 4.04Å
1405L85.2Confident74.4Confident63.8 Ų63.867.6 Ų67.633%0.33434%0.34SS..Hα-helixtrans-56.6-41.6-179178.863.7000113.1L1337 W1401 L1402L1337-L1405 HydrophobicContact CB-CD1 4.07Å; L1337-L1405 HydrophobicContact CB-CG 4.31Å; L1337-L1405 HydrophobicContact CD1-CD1 4.49Å; L1337-L1405 HydrophobicContact CD2-CD2 4.47Å; L1337-L1405 HydrophobicContact CD2-CG 4.42Å; L1337-L1405 PolarHBondContact N-O 3.09Å; W1401-L1405 HydrophobicContact CE3-CD2 4.43Å; W1401-L1405 HydrophobicContact CZ3-CD2 4.08Å; W1401-L1405 VanDerWaalsContact O-CB 3.26Å; W1401-L1405 WeakPolarHBondContact O-CB 3.33Å; W1401-L1405 PolarHBondContact O-N 3.2Å; L1402-L1405 PolarHBondContact O-N 3.14Å
1406F84.7Confident73.2Confident56.4 Ų56.460.8 Ų60.825%0.24731%0.314CS..Hα-helixtrans-93.8-6-179.7-70.6-66.8000114.2L1337 F1338 L1385 L1402 Q1404 V1408L1337-F1406 HydrophobicContact CD2-CD1 4.46Å; L1337-F1406 HydrophobicContact CD2-CE1 3.84Å; L1337-F1406 HydrophobicContact CD2-CZ 4.28Å; F1338-F1406 HydrophobicContact CE1-CD1 4.42Å; F1338-F1406 HydrophobicContact CE2-CB 4.32Å; F1338-F1406 AromaticContact CE2-CD1 3.79Å; F1338-F1406 HydrophobicContact CE2-CD1 3.79Å; F1338-F1406 AromaticContact CZ-CD1 3.63Å; F1338-F1406 HydrophobicContact CZ-CD1 3.63Å; F1338-F1406 HydrophobicContact CZ-CE1 4.17Å; L1385-F1406 HydrophobicContact CD1-CB 4.04Å; L1385-F1406 HydrophobicContact CD1-CD1 4.28Å; L1385-F1406 HydrophobicContact CD1-CG 4.27Å; L1402-F1406 HydrophobicContact CD1-CD2 4.03Å; L1402-F1406 HydrophobicContact CD1-CE2 3.88Å; L1402-F1406 HydrophobicContact CD2-CD2 3.81Å; L1402-F1406 HydrophobicContact CD2-CE2 4.05Å; L1402-F1406 HydrophobicContact CG-CD2 4.22Å; L1402-F1406 HydrophobicContact CG-CE2 4.29Å; L1402-F1406 WeakPolarHBondContact O-CD2 3.38Å; L1402-F1406 PolarHBondContact O-N 3.24Å; Q1404-F1406 VanDerWaalsContact C-N 3.28Å; Q1404-F1406 PolarHBondContact O-N 3.05Å; F1406-V1408 HydrophobicContact CB-CG2 3.68Å
1407G78.6Confident71.7Confident5.6 Ų5.664 Ų646%0.05833%0.332CS..THydrogen-bonded Turntrans65.341.3-178.700000113.7I1403 Q1404 Q1409 S1434I1403-G1407 PolarHBondContact O-N 2.96Å; I1403-G1407 VanDerWaalsContact O-N 3.11Å; Q1404-G1407 PolarHBondContact O-N 3.31Å; Q1404-G1407 VanDerWaalsContact O-N 3.13Å; G1407-Q1409 PolarHBondContact O-N 3.28Å; G1407-Q1409 VanDerWaalsContact O-N 3.12Å; G1407-S1434 WeakPolarHBondContact O-CA 3.3Å; G1407-S1434 WeakPolarHBondContact O-CB 3.34Å; G1407-S1434 PolarHBondContact O-OG 3.38Å
1408V77.8Confident70.5Confident14.4 Ų14.470.7 Ų70.79%0.08736%0.357CS..  trans-80.592.9-170.3-171.10000111.4L1385 G1389 I1403 F1406L1385-V1408 HydrophobicContact CB-CG2 4.36Å; L1385-V1408 HydrophobicContact CD1-CG2 4.43Å; L1385-V1408 HydrophobicContact CD2-CG2 4.41Å; G1389-V1408 VanDerWaalsContact CA-CG1 3.44Å; I1403-V1408 HydrophobicContact CG2-CB 4.34Å; I1403-V1408 WeakPolarHBondContact CG2-O 3.45Å; I1403-V1408 PolarHBondContact O-N 3.02Å; F1406-V1408 HydrophobicContact CB-CG2 3.68Å
1409Q75.1Confident68.9Low60.2 Ų60.267.1 Ų67.128%0.28134%0.335SS..  trans-113.2131.7171.8-171.7-179.437.100110.8Q1386 G1407 M1411 T1431 S1433 S1434Q1386-Q1409 PolarHBondContact NE2-O 3.09Å; Q1386-Q1409 PolarHBondContact OE1-O 3.18Å; G1407-Q1409 PolarHBondContact O-N 3.28Å; G1407-Q1409 VanDerWaalsContact O-N 3.12Å; Q1409-M1411 PolarHBondContact O-N 3.06Å; Q1409-T1431 PolarHBondContact NE2-OG1 3.37Å; Q1409-T1431 VanDerWaalsContact NE2-OG1 3.12Å; Q1409-S1433 PolarHBondContact NE2-OG 3.21Å; Q1409-S1433 VanDerWaalsContact NE2-OG 3.16Å; Q1409-S1433 VanDerWaalsContact OE1-CA 3.31Å; Q1409-S1433 PolarHBondContact OE1-OG 3.31Å; Q1409-S1434 WeakPolarHBondContact CB-OG 3.43Å; Q1409-S1434 PolarHBondContact N-OG 3.18Å; Q1409-S1434 VanDerWaalsContact N-OG 3.15Å; Q1409-S1434 PolarHBondContact O-OG 3.19Å
1410C76.4Confident66.8Low24.8 Ų24.870.2 Ų70.217%0.16835%0.354CS..  trans-68.6117.7172.9-157.70000110.2C1390 N1412 W1416C1390-C1410 VanDerWaalsContact CA-SG 3.55Å; C1390-C1410 HydrophobicContact CB-CB 4.03Å; C1390-C1410 WeakPolarHBondContact CB-SG 3.35Å; C1390-C1410 VanDerWaalsContact SG-CA 3.56Å; C1390-C1410 WeakPolarHBondContact SG-CA 3.34Å; C1390-C1410 WeakPolarHBondContact SG-CB 3.38Å; C1390-C1410 CovalentContact SG-SG 2.04Å; C1390-C1410 PolarHBondContact SG-SG 3.19Å; C1410-N1412 VanDerWaalsContact C-N 3.33Å; C1410-N1412 PolarHBondContact O-N 3.1Å; C1410-N1412 PolarHBondContact O-OD1 2.88Å; C1410-N1412 PolarHBondContact SG-OD1 2.8Å; C1410-W1416 VanDerWaalsContact SG-CE2 3.59Å; C1410-W1416 PolarHBondContact SG-NE1 3.13Å
1411M71.1Confident65.2Low61.4 Ų61.473.4 Ų73.430%0.30237%0.369SS..SBendtrans-85.335.3-172.5-73.9-172.165.200113.9V1166 Q1386 Q1409 P1413 L1436V1166-M1411 HydrophobicContact CG1-CB 4.43Å; V1166-M1411 HydrophobicContact CG2-CB 4.48Å; Q1386-M1411 VanDerWaalsContact OE1-N 3.07Å; Q1409-M1411 PolarHBondContact O-N 3.06Å; M1411-P1413 WeakPolarHBondContact O-CD 3.37Å; M1411-L1436 HydrophobicContact CE-CB 4.21Å; M1411-L1436 HydrophobicContact CE-CD2 4.28Å; M1411-L1436 HydrophobicContact SD-CB 3.75Å; M1411-L1436 VanDerWaalsContact SD-CB 3.54Å; M1411-L1436 HydrophobicContact SD-CD2 3.84Å; M1411-L1436 HydrophobicContact SD-CG 4.33Å
1412N64.1Low62.9Low59.6 Ų59.670.3 Ų70.332%0.31937%0.369SS..  trans-115.766.7-173.7-91.8-18.7000112.7Y1249 C1410 L1414 S1415 W1416Y1249-N1412 PolarHBondContact OH-ND2 2.82Å; Y1249-N1412 VanDerWaalsContact OH-ND2 3.09Å; C1410-N1412 VanDerWaalsContact C-N 3.33Å; C1410-N1412 PolarHBondContact O-N 3.1Å; C1410-N1412 PolarHBondContact O-OD1 2.88Å; C1410-N1412 PolarHBondContact SG-OD1 2.8Å; N1412-L1414 VanDerWaalsContact C-N 3.29Å; N1412-L1414 PolarHBondContact O-N 3.25Å; N1412-L1414 VanDerWaalsContact O-N 3.11Å; N1412-S1415 WeakPolarHBondContact O-CB 3.3Å; N1412-S1415 PolarHBondContact O-N 3.23Å; N1412-S1415 PolarHBondContact O-OG 3.41Å; N1412-W1416 HydrophobicContact CB-CG 4.37Å; N1412-W1416 VanDerWaalsContact CG-CD1 3.45Å; N1412-W1416 PolarHBondContact O-NE1 3.1Å; N1412-W1416 VanDerWaalsContact O-NE1 3.13Å; N1412-W1416 VanDerWaalsContact OD1-CD1 3.31Å; N1412-W1416 PolarHBondContact OD1-NE1 2.9Å
1413P54.3Low60.7Low68.4 Ų68.474.4 Ų74.444%0.44440%0.398SS..G310 helixtrans-64.8-18.2-171.425.2-32000113.5V1166 M1411 S1415 W1416 N1417V1166-P1413 HydrophobicContact CG2-CG 4.14Å; M1411-P1413 WeakPolarHBondContact O-CD 3.37Å; P1413-S1415 VanDerWaalsContact C-N 3.29Å; P1413-S1415 PolarHBondContact O-N 3.21Å; P1413-S1415 VanDerWaalsContact O-N 3.16Å; P1413-W1416 VanDerWaalsContact CD-NE1 3.28Å; P1413-W1416 PolarHBondContact O-N 3.12Å; P1413-N1417 PolarHBondContact O-N 2.86Å; P1413-N1417 PolarHBondContact O-OD1 3.24Å
1414L49.4Very low59Low126.8 Ų126.876.7 Ų76.766%0.66443%0.426SS*.G310 helixtrans-60.5-6.6179.1-73.694.6000115A1164 K1250 N1412 W1416 N1417A1164-L1414 HydrophobicContact CB-CD1 3.79Å; A1164-L1414 VanDerWaalsContact O-CD1 3.26Å; A1164-L1414 WeakPolarHBondContact O-CD1 3.43Å; K1250-L1414 HydrophobicContact CG-CB 4.48Å; N1412-L1414 VanDerWaalsContact C-N 3.29Å; N1412-L1414 PolarHBondContact O-N 3.25Å; N1412-L1414 VanDerWaalsContact O-N 3.11Å; L1414-W1416 VanDerWaalsContact C-N 3.33Å; L1414-N1417 PolarHBondContact O-ND2 3.32Å
1415S50.9Low57.2Low47.8 Ų47.880.6 Ų80.633%0.33444%0.444SS..G310 helixtrans-90.221172.4-177.40000113.4Q1235 N1412 P1413 N1417Q1235-S1415 PolarHBondContact NE2-O 3.11Å; Q1235-S1415 PolarHBondContact NE2-OG 3.14Å; Q1235-S1415 PolarHBondContact OE1-O 3.14Å; N1412-S1415 WeakPolarHBondContact O-CB 3.3Å; N1412-S1415 PolarHBondContact O-N 3.23Å; N1412-S1415 PolarHBondContact O-OG 3.41Å; P1413-S1415 VanDerWaalsContact C-N 3.29Å; P1413-S1415 PolarHBondContact O-N 3.21Å; P1413-S1415 VanDerWaalsContact O-N 3.16Å; S1415-N1417 PolarHBondContact OG-N 2.72Å
1416W53.4Low55.2Low45.2 Ų45.284.9 Ų84.917%0.17146%0.463CS..  trans-111.520.9174.9-55.682000110.8N1232 Q1235 W1236 C1390 C1410 N1412 P1413 L1414 H1418 F1419N1232-W1416 HydrophobicContact CB-CE3 4.32Å; N1232-W1416 HydrophobicContact CB-CZ3 3.78Å; N1232-W1416 WeakPolarHBondContact O-CZ3 3.16Å; Q1235-W1416 HydrophobicContact CB-CE3 4.33Å; Q1235-W1416 HydrophobicContact CB-CH2 4.4Å; Q1235-W1416 HydrophobicContact CB-CZ3 4.17Å; Q1235-W1416 VanDerWaalsContact CD-CE3 3.48Å; Q1235-W1416 HydrophobicContact CG-CD2 4.39Å; Q1235-W1416 HydrophobicContact CG-CE3 3.84Å; Q1235-W1416 HydrophobicContact CG-CH2 4.3Å; Q1235-W1416 HydrophobicContact CG-CZ3 4.16Å; Q1235-W1416 VanDerWaalsContact OE1-CZ3 3.32Å; W1236-W1416 HydrophobicContact CB-CH2 4.12Å; C1390-W1416 HydrophobicContact CB-CH2 3.74Å; C1390-W1416 HydrophobicContact CB-CZ2 3.75Å; C1390-W1416 HydrophobicContact CB-CZ3 4.38Å; C1410-W1416 VanDerWaalsContact SG-CE2 3.59Å; C1410-W1416 PolarHBondContact SG-NE1 3.13Å; N1412-W1416 HydrophobicContact CB-CG 4.37Å; N1412-W1416 VanDerWaalsContact CG-CD1 3.45Å; N1412-W1416 PolarHBondContact O-NE1 3.1Å; N1412-W1416 VanDerWaalsContact O-NE1 3.13Å; N1412-W1416 VanDerWaalsContact OD1-CD1 3.31Å; N1412-W1416 PolarHBondContact OD1-NE1 2.9Å; P1413-W1416 VanDerWaalsContact CD-NE1 3.28Å; P1413-W1416 PolarHBondContact O-N 3.12Å; L1414-W1416 VanDerWaalsContact C-N 3.33Å; W1416-H1418 PolarHBondContact O-N 3.13Å; W1416-F1419 HydrophobicContact CB-CB 4.17Å; W1416-F1419 HydrophobicContact CB-CD2 4.45Å; W1416-F1419 HydrophobicContact CD2-CD2 4.4Å; W1416-F1419 AromaticContact CE3-CD2 3.77Å; W1416-F1419 HydrophobicContact CE3-CD2 3.77Å; W1416-F1419 AromaticContact CE3-CE2 3.98Å; W1416-F1419 HydrophobicContact CE3-CE2 3.98Å; W1416-F1419 HydrophobicContact CZ3-CD2 4.28Å; W1416-F1419 AromaticContact CZ3-CE2 3.92Å; W1416-F1419 HydrophobicContact CZ3-CE2 4.07Å; W1416-F1419 PolarHBondContact O-N 3.16Å; W1416-F1419 VanDerWaalsContact O-N 3.14Å
1417N44Very low53.6Low105.2 Ų105.288.4 Ų88.456%0.56349%0.489SS*.THydrogen-bonded Turntrans-64.727.5-176.5-71.4-1.6000113.9Q1235 P1413 L1414 S1415 F1419Q1235-N1417 PolarHBondContact NE2-O 2.91Å; P1413-N1417 PolarHBondContact O-N 2.86Å; P1413-N1417 PolarHBondContact O-OD1 3.24Å; L1414-N1417 PolarHBondContact O-ND2 3.32Å; S1415-N1417 PolarHBondContact OG-N 2.72Å; N1417-F1419 VanDerWaalsContact C-N 3.34Å
1418H47.3Very low52.5Low173.2 Ų173.292.3 Ų92.380%0.80252%0.515SS*.THydrogen-bonded Turntrans-95.5-0.4172.2-84.10.2000114.7W1416 N1420W1416-H1418 PolarHBondContact O-N 3.13Å; H1418-N1420 PolarHBondContact O-N 3.11Å
1419F43.4Very low51.7Low79.6 Ų79.692.7 Ų92.735%0.34952%0.518SS..  trans-100.181.9162.7-77.5-73.1000110.8I1228 W1416 N1417 L1421I1228-F1419 HydrophobicContact CB-CE2 4.4Å; I1228-F1419 HydrophobicContact CB-CZ 4.34Å; I1228-F1419 HydrophobicContact CD1-CD1 3.75Å; I1228-F1419 HydrophobicContact CD1-CE1 3.56Å; I1228-F1419 HydrophobicContact CD1-CG 4.37Å; I1228-F1419 HydrophobicContact CD1-CZ 4.06Å; I1228-F1419 HydrophobicContact CG1-CD1 4.38Å; I1228-F1419 HydrophobicContact CG1-CE1 3.98Å; I1228-F1419 HydrophobicContact CG1-CE2 4.19Å; I1228-F1419 HydrophobicContact CG1-CZ 3.66Å; I1228-F1419 HydrophobicContact CG2-CD2 4.09Å; I1228-F1419 HydrophobicContact CG2-CE1 4.49Å; I1228-F1419 HydrophobicContact CG2-CE2 3.74Å; I1228-F1419 HydrophobicContact CG2-CG 4.21Å; I1228-F1419 HydrophobicContact CG2-CZ 4.12Å; W1416-F1419 HydrophobicContact CB-CB 4.17Å; W1416-F1419 HydrophobicContact CB-CD2 4.45Å; W1416-F1419 HydrophobicContact CD2-CD2 4.4Å; W1416-F1419 AromaticContact CE3-CD2 3.77Å; W1416-F1419 HydrophobicContact CE3-CD2 3.77Å; W1416-F1419 AromaticContact CE3-CE2 3.98Å; W1416-F1419 HydrophobicContact CE3-CE2 3.98Å; W1416-F1419 HydrophobicContact CZ3-CD2 4.28Å; W1416-F1419 AromaticContact CZ3-CE2 3.92Å; W1416-F1419 HydrophobicContact CZ3-CE2 4.07Å; W1416-F1419 PolarHBondContact O-N 3.16Å; W1416-F1419 VanDerWaalsContact O-N 3.14Å; N1417-F1419 VanDerWaalsContact C-N 3.34Å; F1419-L1421 VanDerWaalsContact C-N 3.34Å; F1419-L1421 HydrophobicContact CB-CD1 4.2Å; F1419-L1421 HydrophobicContact CD1-CD1 3.8Å; F1419-L1421 HydrophobicContact CE1-CD1 3.59Å; F1419-L1421 PolarHBondContact O-N 3.33Å; F1419-L1421 VanDerWaalsContact O-N 3.15Å
1420N39.3Very low51.1Low152.4 Ų152.493.4 Ų93.482%0.81553%0.534SS*.  trans-63.598158.1-74.7-23.9000107.5H1418H1418-N1420 PolarHBondContact O-N 3.11Å
1421L45Very low50.5Low97.8 Ų97.894 Ų9451%0.51254%0.537SS..  trans-56.6135.1164.1-99.468.8000107.7F1419 P1423 E1426F1419-L1421 VanDerWaalsContact C-N 3.34Å; F1419-L1421 HydrophobicContact CB-CD1 4.2Å; F1419-L1421 HydrophobicContact CD1-CD1 3.8Å; F1419-L1421 HydrophobicContact CE1-CD1 3.59Å; F1419-L1421 PolarHBondContact O-N 3.33Å; F1419-L1421 VanDerWaalsContact O-N 3.15Å; L1421-P1423 WeakPolarHBondContact O-CD 3.43Å; L1421-E1426 HydrophobicContact CB-CG 3.8Å; L1421-E1426 WeakPolarHBondContact CB-OE1 3.19Å; L1421-E1426 HydrophobicContact CD2-CG 4.07Å
1422P37.6Very low50Low94 Ų9494.2 Ų94.261%0.6154%0.542SS*.  trans-60132179.414.4-20.9000110G1424 H1425P1422-G1424 PolarHBondContact O-N 3.08Å; P1422-H1425 PolarHBondContact O-N 3.22Å; P1422-H1425 VanDerWaalsContact O-N 3.16Å
1423P36.8Very low50.1Low130.6 Ų130.693.9 Ų93.985%0.84854%0.544SS*.THydrogen-bonded Turntrans-64.1105.8179.226.1-33.3000108.8L1421L1421-P1423 WeakPolarHBondContact O-CD 3.43Å
1424G43.1Very low50.7Low66 Ų6691 Ų9168%0.6853%0.525SS*.THydrogen-bonded Turntrans146.4-8.9-166.800000115.2P1422P1422-G1424 PolarHBondContact O-N 3.08Å
1425H43.7Very low52Low159.2 Ų159.285.1 Ų85.174%0.73750%0.496SS*.  trans-114.627.9171.7-115.820.5000114P1422 T1427P1422-H1425 PolarHBondContact O-N 3.22Å; P1422-H1425 VanDerWaalsContact O-N 3.16Å; H1425-T1427 VanDerWaalsContact C-N 3.29Å; H1425-T1427 PolarHBondContact O-N 3.18Å
1426E42.8Very low53.6Low155 Ų15583.2 Ų83.272%0.72448%0.482SS*.  trans-83.610.3-179.4-60.4-165.6138.900114.2L1421L1421-E1426 HydrophobicContact CB-CG 3.8Å; L1421-E1426 WeakPolarHBondContact CB-OE1 3.19Å; L1421-E1426 HydrophobicContact CD2-CG 4.07Å
1427T52.1Low55.3Low128.8 Ų128.885.5 Ų85.579%0.7949%0.494SS*.  trans-124.683.3-177.153.50000114.7H1425H1425-T1427 VanDerWaalsContact C-N 3.29Å; H1425-T1427 PolarHBondContact O-N 3.18Å
1428S54.1Low57.4Low87.6 Ų87.684.5 Ų84.561%0.61348%0.483SS*.SBendtrans-141.2-49.5163.346.10000112.6C1400 A1430C1400-S1428 PolarHBondContact SG-O 3.21Å; C1400-S1428 VanDerWaalsContact SG-O 3.34Å; S1428-A1430 PolarHBondContact O-N 3.19Å
1429C63Low59.6Low23 Ų2376.4 Ų76.416%0.15545%0.445CS..  trans-123.895.5-176.9-54.40000113.2C1400 T1431C1400-C1429 WeakPolarHBondContact CA-SG 3.4Å; C1400-C1429 HydrophobicContact CB-CB 4.27Å; C1400-C1429 WeakPolarHBondContact CB-SG 3.44Å; C1400-C1429 VanDerWaalsContact SG-CA 3.57Å; C1400-C1429 WeakPolarHBondContact SG-CA 3.36Å; C1400-C1429 WeakPolarHBondContact SG-CB 3.42Å; C1400-C1429 CovalentContact SG-SG 2.04Å; C1400-C1429 PolarHBondContact SG-SG 3.15Å; C1429-T1431 PolarHBondContact O-N 3.26Å; C1429-T1431 VanDerWaalsContact O-N 3.14Å
1430A62Low61.9Low75.2 Ų75.274 Ų7462%0.62144%0.435SS*.  trans-68.7112.6164.700000109.6Q1404 S1428Q1404-A1430 PolarHBondContact NE2-O 2.88Å; S1428-A1430 PolarHBondContact O-N 3.19Å
1431T62.3Low64.5Low37.6 Ų37.669.3 Ų69.323%0.23141%0.412CS..  trans-91.9126.5176.252.60000111I1403 Q1404 Q1409 C1429I1403-T1431 HydrophobicContact CG2-CG2 4.06Å; Q1404-T1431 HydrophobicContact CG-CG2 4.04Å; Q1409-T1431 PolarHBondContact NE2-OG1 3.37Å; Q1409-T1431 VanDerWaalsContact NE2-OG1 3.12Å; C1429-T1431 PolarHBondContact O-N 3.26Å; C1429-T1431 VanDerWaalsContact O-N 3.14Å
1432V61.1Low66.8Low66.2 Ų66.264.7 Ų64.740%0.40139%0.388SS..  trans-65139165-1760000108.4W1334 S1434W1334-V1432 HydrophobicContact CE3-CG1 3.98Å; W1334-V1432 HydrophobicContact CZ3-CG1 4.25Å; V1432-S1434 VanDerWaalsContact C-N 3.29Å; V1432-S1434 PolarHBondContact O-N 2.88Å; V1432-S1434 PolarHBondContact O-OG 3.1Å
1433S65.7Low69.6Low51.4 Ų51.460.8 Ų60.836%0.35936%0.362SS..  trans-67.8114.9-173.6-104.10000113.3W1334 Q1409 G1435W1334-S1433 WeakPolarHBondContact CH2-O 3.25Å; W1334-S1433 WeakPolarHBondContact CZ2-O 3.38Å; W1334-S1433 WeakPolarHBondContact CZ3-O 3.4Å; Q1409-S1433 PolarHBondContact NE2-OG 3.21Å; Q1409-S1433 VanDerWaalsContact NE2-OG 3.16Å; Q1409-S1433 VanDerWaalsContact OE1-CA 3.31Å; Q1409-S1433 PolarHBondContact OE1-OG 3.31Å; S1433-G1435 VanDerWaalsContact C-N 3.28Å; S1433-G1435 PolarHBondContact O-N 3.22Å
1434S68.3Low72.4Confident7.6 Ų7.658.3 Ų58.35%0.05334%0.341CS..  trans-67.120.3-172.2-68.10000113.9T1336 K1382 G1407 Q1409 V1432 L1436T1336-S1434 WeakPolarHBondContact CG2-OG 3.45Å; K1382-S1434 WeakPolarHBondContact CD-O 3.38Å; K1382-S1434 WeakPolarHBondContact CE-O 3.46Å; K1382-S1434 PolarHBondContact NZ-O 3.25Å; G1407-S1434 WeakPolarHBondContact O-CA 3.3Å; G1407-S1434 WeakPolarHBondContact O-CB 3.34Å; G1407-S1434 PolarHBondContact O-OG 3.38Å; Q1409-S1434 WeakPolarHBondContact CB-OG 3.43Å; Q1409-S1434 PolarHBondContact N-OG 3.18Å; Q1409-S1434 VanDerWaalsContact N-OG 3.15Å; Q1409-S1434 PolarHBondContact O-OG 3.19Å; V1432-S1434 VanDerWaalsContact C-N 3.29Å; V1432-S1434 PolarHBondContact O-N 2.88Å; V1432-S1434 PolarHBondContact O-OG 3.1Å; S1434-L1436 PolarHBondContact O-N 3.22Å
1435G76.5Confident74.8Confident3.8 Ų3.859 Ų594%0.03933%0.325CS..  trans264317800000115.1S1433 H1437 W1438 D1439S1433-G1435 VanDerWaalsContact C-N 3.28Å; S1433-G1435 PolarHBondContact O-N 3.22Å; G1435-H1437 PolarHBondContact O-CD2 3.01Å; G1435-H1437 PolarHBondContact O-N 3.16Å; G1435-H1437 VanDerWaalsContact O-N 3.12Å; G1435-W1438 WeakPolarHBondContact O-CB 3.31Å; G1435-W1438 PolarHBondContact O-N 3.16Å; G1435-D1439 PolarHBondContact O-N 3.34Å
1436L85.1Confident77.2Confident8.8 Ų8.851.4 Ų51.45%0.04629%0.29CS..Hα-helixtrans-55.8-29.6-175.3-171.863.6000113.8C1163 I1379 K1382 M1411 S1434 W1438 D1439 I1440C1163-L1436 HydrophobicContact CB-CD2 4.27Å; I1379-L1436 HydrophobicContact CB-CD1 4.45Å; I1379-L1436 HydrophobicContact CG1-CD1 4.34Å; I1379-L1436 HydrophobicContact CG2-CD1 4.34Å; K1382-L1436 HydrophobicContact CB-CD1 4.16Å; K1382-L1436 HydrophobicContact CD-CD1 4.26Å; M1411-L1436 HydrophobicContact CE-CB 4.21Å; M1411-L1436 HydrophobicContact CE-CD2 4.28Å; M1411-L1436 HydrophobicContact SD-CB 3.75Å; M1411-L1436 VanDerWaalsContact SD-CB 3.54Å; M1411-L1436 HydrophobicContact SD-CD2 3.84Å; M1411-L1436 HydrophobicContact SD-CG 4.33Å; S1434-L1436 PolarHBondContact O-N 3.22Å; L1436-W1438 VanDerWaalsContact C-N 3.31Å; L1436-W1438 PolarHBondContact O-N 3.24Å; L1436-D1439 WeakPolarHBondContact CA-OD2 3.44Å; L1436-D1439 HydrophobicContact CD1-CB 4.32Å; L1436-D1439 WeakPolarHBondContact O-CB 3.36Å; L1436-D1439 PolarHBondContact O-N 3.17Å; L1436-D1439 VanDerWaalsContact O-N 3.13Å; L1436-I1440 HydrophobicContact CD2-CD1 4.19Å; L1436-I1440 HydrophobicContact CG-CD1 4.25Å; L1436-I1440 HydrophobicContact CG-CG1 4.34Å; L1436-I1440 WeakPolarHBondContact O-CD1 3.21Å; L1436-I1440 VanDerWaalsContact O-CG1 3.26Å; L1436-I1440 WeakPolarHBondContact O-CG1 3.39Å; L1436-I1440 PolarHBondContact O-N 3.13Å; L1436-I1440 VanDerWaalsContact O-N 3.16Å
1437H87.6Confident79.7Confident91.8 Ų91.844.9 Ų44.943%0.42526%0.26SS..Hα-helixtrans-60-35.3-179.259.8-105.6000113.7W1334 G1435 I1440 V1441W1334-H1437 AromaticContact CZ2-CE1 3.76Å; W1334-H1437 AromaticContact CZ2-NE2 3.72Å; G1435-H1437 PolarHBondContact O-CD2 3.01Å; G1435-H1437 PolarHBondContact O-N 3.16Å; G1435-H1437 VanDerWaalsContact O-N 3.12Å; H1437-I1440 WeakPolarHBondContact O-CB 3.41Å; H1437-I1440 PolarHBondContact O-N 3.11Å; H1437-V1441 WeakPolarHBondContact O-CG2 3.33Å; H1437-V1441 PolarHBondContact O-N 3.19Å; H1437-V1441 VanDerWaalsContact O-N 3.13Å
1438W89Confident81.6Confident85.6 Ų85.643 Ų4332%0.32424%0.241SC..Hα-helixtrans-72.1-36.8175.8-79.6105.1000112.4V1329 T1330 W1334 G1435 L1436 I1440 V1441 C1442V1329-W1438 HydrophobicContact CG1-CE3 4.38Å; V1329-W1438 HydrophobicContact CG1-CH2 4.38Å; V1329-W1438 HydrophobicContact CG1-CZ3 4.08Å; T1330-W1438 HydrophobicContact CG2-CB 3.92Å; T1330-W1438 HydrophobicContact CG2-CE3 4.3Å; T1330-W1438 WeakPolarHBondContact CG2-O 3.2Å; W1334-W1438 AromaticContact CE2-CD1 3.87Å; W1334-W1438 AromaticContact CZ2-CD1 3.81Å; W1334-W1438 AromaticContact NE1-CD1 3.35Å; W1334-W1438 VanDerWaalsContact NE1-CD1 3.29Å; W1334-W1438 AromaticContact NE1-CG 3.86Å; G1435-W1438 WeakPolarHBondContact O-CB 3.31Å; G1435-W1438 PolarHBondContact O-N 3.16Å; L1436-W1438 VanDerWaalsContact C-N 3.31Å; L1436-W1438 PolarHBondContact O-N 3.24Å; W1438-I1440 VanDerWaalsContact C-N 3.28Å; W1438-I1440 PolarHBondContact O-N 3.32Å; W1438-V1441 HydrophobicContact CE3-CB 4.47Å; W1438-V1441 HydrophobicContact CE3-CG1 4.47Å; W1438-V1441 HydrophobicContact CZ3-CG1 4.5Å; W1438-V1441 PolarHBondContact O-N 3.24Å; W1438-V1441 VanDerWaalsContact O-N 3.15Å; W1438-C1442 VanDerWaalsContact O-CB 3.27Å; W1438-C1442 WeakPolarHBondContact O-CB 3.43Å; W1438-C1442 PolarHBondContact O-N 3.13Å
1439D92.3Very high83.5Confident1.8 Ų1.838.9 Ų38.91%0.0121%0.212CC..Hα-helixtrans-60.2-35.2175.2-53.9-61.1000111.4Y1342 N1375 V1378 I1379 K1382 G1435 L1436 C1442 F1443Y1342-D1439 WeakPolarHBondContact CE2-OD1 3.24Å; Y1342-D1439 PolarHBondContact OH-OD1 3.22Å; Y1342-D1439 VanDerWaalsContact OH-OD1 3.1Å; N1375-D1439 PolarHBondContact ND2-O 3.11Å; V1378-D1439 WeakPolarHBondContact CG1-OD1 3.45Å; I1379-D1439 HydrophobicContact CD1-CB 4.16Å; I1379-D1439 HydrophobicContact CG1-CB 3.72Å; K1382-D1439 WeakPolarHBondContact CD-OD2 3.41Å; K1382-D1439 WeakPolarHBondContact CE-OD2 3.34Å; K1382-D1439 VanDerWaalsContact NZ-CG 3.34Å; K1382-D1439 IonicContact NZ-OD1 2.94Å; K1382-D1439 PolarHBondContact NZ-OD1 3.32Å; K1382-D1439 IonicContact NZ-OD2 3.1Å; K1382-D1439 PolarHBondContact NZ-OD2 2.92Å; G1435-D1439 PolarHBondContact O-N 3.34Å; L1436-D1439 WeakPolarHBondContact CA-OD2 3.44Å; L1436-D1439 HydrophobicContact CD1-CB 4.32Å; L1436-D1439 WeakPolarHBondContact O-CB 3.36Å; L1436-D1439 PolarHBondContact O-N 3.17Å; L1436-D1439 VanDerWaalsContact O-N 3.13Å; D1439-C1442 WeakPolarHBondContact O-CB 3.29Å; D1439-C1442 PolarHBondContact O-N 3.13Å; D1439-F1443 WeakPolarHBondContact O-CB 3.31Å; D1439-F1443 PolarHBondContact O-N 3.14Å
1440I92.7Very high84.9Confident29.2 Ų29.241 Ų4115%0.1522%0.217CC..Hα-helixtrans-70.8-43.9177-58.4166.9000111.4V1159 V1160 C1163 L1436 H1437 W1438 C1442 F1443 I1444V1159-I1440 HydrophobicContact CG1-CB 4.22Å; V1159-I1440 HydrophobicContact CG1-CD1 4.44Å; V1159-I1440 HydrophobicContact CG1-CG1 3.71Å; V1159-I1440 HydrophobicContact CG1-CG2 3.94Å; V1160-I1440 HydrophobicContact CG2-CG2 4.01Å; C1163-I1440 HydrophobicContact CB-CD1 3.32Å; C1163-I1440 VanDerWaalsContact SG-CD1 3.51Å; C1163-I1440 WeakPolarHBondContact SG-CD1 3.43Å; L1436-I1440 HydrophobicContact CD2-CD1 4.19Å; L1436-I1440 HydrophobicContact CG-CD1 4.25Å; L1436-I1440 HydrophobicContact CG-CG1 4.34Å; L1436-I1440 WeakPolarHBondContact O-CD1 3.21Å; L1436-I1440 VanDerWaalsContact O-CG1 3.26Å; L1436-I1440 WeakPolarHBondContact O-CG1 3.39Å; L1436-I1440 PolarHBondContact O-N 3.13Å; L1436-I1440 VanDerWaalsContact O-N 3.16Å; H1437-I1440 WeakPolarHBondContact O-CB 3.41Å; H1437-I1440 PolarHBondContact O-N 3.11Å; W1438-I1440 VanDerWaalsContact C-N 3.28Å; W1438-I1440 PolarHBondContact O-N 3.32Å; I1440-C1442 VanDerWaalsContact C-N 3.28Å; I1440-C1442 PolarHBondContact O-N 3.14Å; I1440-F1443 WeakPolarHBondContact O-CB 3.31Å; I1440-F1443 PolarHBondContact O-N 3.19Å; I1440-I1444 HydrophobicContact CG2-CD1 4.15Å; I1440-I1444 WeakPolarHBondContact O-CG1 3.34Å; I1440-I1444 PolarHBondContact O-N 3.47Å
1441V93.3Very high86.3Confident54.8 Ų54.840.3 Ų40.333%0.33220%0.199SC..Hα-helixtrans-58.4-45.6173.7172.20000109.7V1326 H1437 W1438 F1443 I1444 F1445V1326-V1441 HydrophobicContact CG1-CG1 4.33Å; H1437-V1441 WeakPolarHBondContact O-CG2 3.33Å; H1437-V1441 PolarHBondContact O-N 3.19Å; H1437-V1441 VanDerWaalsContact O-N 3.13Å; W1438-V1441 HydrophobicContact CE3-CB 4.47Å; W1438-V1441 HydrophobicContact CE3-CG1 4.47Å; W1438-V1441 HydrophobicContact CZ3-CG1 4.5Å; W1438-V1441 PolarHBondContact O-N 3.24Å; W1438-V1441 VanDerWaalsContact O-N 3.15Å; V1441-F1443 PolarHBondContact O-N 3.12Å; V1441-I1444 PolarHBondContact O-N 3.22Å; V1441-F1445 HydrophobicContact CG1-CD2 4.04Å; V1441-F1445 HydrophobicContact CG1-CE2 4.01Å; V1441-F1445 WeakPolarHBondContact O-CD2 3.39Å; V1441-F1445 PolarHBondContact O-N 3.13Å; V1441-F1445 VanDerWaalsContact O-N 3.17Å
1442C94.6Very high87.7Confident0 Ų038.7 Ų38.70%019%0.19CC..Hα-helixtrans-57.5-49.2173.4-174.30000112V1326 T1330 N1375 W1438 D1439 I1440 I1444 F1445 I1446V1326-C1442 HydrophobicContact CG1-CB 4.26Å; T1330-C1442 HydrophobicContact CG2-CB 3.76Å; N1375-C1442 PolarHBondContact ND2-SG 2.83Å; W1438-C1442 VanDerWaalsContact O-CB 3.27Å; W1438-C1442 WeakPolarHBondContact O-CB 3.43Å; W1438-C1442 PolarHBondContact O-N 3.13Å; D1439-C1442 WeakPolarHBondContact O-CB 3.29Å; D1439-C1442 PolarHBondContact O-N 3.13Å; I1440-C1442 VanDerWaalsContact C-N 3.28Å; I1440-C1442 PolarHBondContact O-N 3.14Å; C1442-I1444 VanDerWaalsContact C-N 3.31Å; C1442-I1444 PolarHBondContact O-N 3.17Å; C1442-F1445 PolarHBondContact O-N 3.24Å; C1442-F1445 VanDerWaalsContact O-N 3.14Å; C1442-I1446 WeakPolarHBondContact O-CD1 3.24Å; C1442-I1446 WeakPolarHBondContact O-CG1 3.36Å; C1442-I1446 PolarHBondContact O-N 3.1Å
1443F95.1Very high89Confident12.8 Ų12.835.6 Ų35.66%0.05617%0.171CC..Hα-helixtrans-54.1-44.4177.6-172.6-109.1000112.6H1155 V1159 M1177 L1181 N1375 I1379 D1439 I1440 V1441 I1446 I1447H1155-F1443 HydrophobicContact CB-CE1 4.06Å; H1155-F1443 HydrophobicContact CB-CZ 4.13Å; V1159-F1443 HydrophobicContact CB-CD1 4.15Å; V1159-F1443 HydrophobicContact CB-CE1 4.21Å; V1159-F1443 HydrophobicContact CG1-CD1 4.25Å; V1159-F1443 HydrophobicContact CG2-CD1 3.84Å; V1159-F1443 HydrophobicContact CG2-CE1 3.57Å; V1159-F1443 VanDerWaalsContact CG2-CE1 3.4Å; V1159-F1443 HydrophobicContact CG2-CE2 4.47Å; V1159-F1443 HydrophobicContact CG2-CG 4.42Å; V1159-F1443 HydrophobicContact CG2-CZ 3.93Å; M1177-F1443 HydrophobicContact CE-CZ 4Å; M1177-F1443 HydrophobicContact SD-CZ 4.45Å; L1181-F1443 HydrophobicContact CD1-CE2 4.26Å; L1181-F1443 HydrophobicContact CD1-CZ 4.2Å; N1375-F1443 WeakPolarHBondContact OD1-CA 3.35Å; N1375-F1443 VanDerWaalsContact OD1-CB 3.27Å; N1375-F1443 WeakPolarHBondContact OD1-CB 3.34Å; N1375-F1443 VanDerWaalsContact OD1-CD2 3.26Å; N1375-F1443 WeakPolarHBondContact OD1-CD2 3.39Å; I1379-F1443 HydrophobicContact CD1-CB 4.27Å; I1379-F1443 HydrophobicContact CD1-CD2 4.48Å; I1379-F1443 HydrophobicContact CD1-CG 4.43Å; D1439-F1443 WeakPolarHBondContact O-CB 3.31Å; D1439-F1443 PolarHBondContact O-N 3.14Å; I1440-F1443 WeakPolarHBondContact O-CB 3.31Å; I1440-F1443 PolarHBondContact O-N 3.19Å; V1441-F1443 PolarHBondContact O-N 3.12Å; F1443-I1446 WeakPolarHBondContact O-CG1 3.34Å; F1443-I1446 PolarHBondContact O-N 2.99Å; F1443-I1447 HydrophobicContact CD1-CD1 4.03Å; F1443-I1447 HydrophobicContact CD1-CG1 4.16Å; F1443-I1447 HydrophobicContact CD2-CD1 4.13Å; F1443-I1447 HydrophobicContact CD2-CG1 4.23Å; F1443-I1447 HydrophobicContact CE1-CD1 3.53Å; F1443-I1447 HydrophobicContact CE1-CG1 3.86Å; F1443-I1447 HydrophobicContact CE2-CD1 3.9Å; F1443-I1447 HydrophobicContact CE2-CG1 4.07Å; F1443-I1447 HydrophobicContact CG-CD1 4.33Å; F1443-I1447 HydrophobicContact CG-CG1 4.32Å; F1443-I1447 HydrophobicContact CZ-CD1 3.7Å; F1443-I1447 VanDerWaalsContact CZ-CD1 3.41Å; F1443-I1447 HydrophobicContact CZ-CG1 3.89Å; F1443-I1447 VanDerWaalsContact O-CB 3.28Å; F1443-I1447 WeakPolarHBondContact O-CB 3.35Å; F1443-I1447 WeakPolarHBondContact O-CG1 3.44Å; F1443-I1447 PolarHBondContact O-N 3.21Å
1444I95Very high90.1Very high78.8 Ų78.834.4 Ų34.440%0.40416%0.161SC..Hα-helixtrans-61.4-48.1178.5-67.5163.5000110.9C1156 I1440 V1441 C1442 I1447 F1448C1156-I1444 HydrophobicContact CB-CG1 4.38Å; I1440-I1444 HydrophobicContact CG2-CD1 4.15Å; I1440-I1444 WeakPolarHBondContact O-CG1 3.34Å; I1440-I1444 PolarHBondContact O-N 3.47Å; V1441-I1444 PolarHBondContact O-N 3.22Å; C1442-I1444 VanDerWaalsContact C-N 3.31Å; C1442-I1444 PolarHBondContact O-N 3.17Å; I1444-I1447 PolarHBondContact O-N 3.1Å; I1444-F1448 WeakPolarHBondContact O-CB 3.36Å; I1444-F1448 PolarHBondContact O-N 3.02Å
1445F94.6Very high90.9Very high79.4 Ų79.435.8 Ų35.835%0.34817%0.171SC..Hα-helixtrans-66.4-42.2179.6-82.9-77.9000112.8V1322 V1326 V1441 C1442 I1447 F1448 Q1449V1322-F1445 HydrophobicContact CG1-CD1 4.38Å; V1322-F1445 HydrophobicContact CG1-CE1 4.02Å; V1326-F1445 HydrophobicContact CB-CD2 4.39Å; V1326-F1445 HydrophobicContact CG1-CB 4.45Å; V1326-F1445 HydrophobicContact CG1-CD2 3.99Å; V1326-F1445 HydrophobicContact CG1-CG 4.47Å; V1326-F1445 HydrophobicContact CG2-CD2 3.87Å; V1326-F1445 HydrophobicContact CG2-CE2 4.06Å; V1326-F1445 HydrophobicContact CG2-CG 4.16Å; V1326-F1445 HydrophobicContact CG2-CZ 4.46Å; V1441-F1445 HydrophobicContact CG1-CD2 4.04Å; V1441-F1445 HydrophobicContact CG1-CE2 4.01Å; V1441-F1445 WeakPolarHBondContact O-CD2 3.39Å; V1441-F1445 PolarHBondContact O-N 3.13Å; V1441-F1445 VanDerWaalsContact O-N 3.17Å; C1442-F1445 PolarHBondContact O-N 3.24Å; C1442-F1445 VanDerWaalsContact O-N 3.14Å; F1445-I1447 PolarHBondContact O-N 3.33Å; F1445-F1448 PolarHBondContact O-N 3.09Å; F1445-Q1449 WeakPolarHBondContact O-CB 3.37Å; F1445-Q1449 PolarHBondContact O-N 3.17Å
1446I94.6Very high91.2Very high0.2 Ų0.237.7 Ų37.70%0.00118%0.179CC..Hα-helixtrans-70.6-33.7-179.852.3179.5000112.4V1327 W1368 I1371 I1372 N1375 C1442 F1443 Q1449 R1450V1327-I1446 HydrophobicContact CG2-CG2 3.91Å; W1368-I1446 HydrophobicContact CZ2-CB 4.24Å; W1368-I1446 HydrophobicContact CZ2-CG2 4.1Å; W1368-I1446 PolarHBondContact NE1-O 3.01Å; I1371-I1446 HydrophobicContact CG2-CD1 4.38Å; I1371-I1446 HydrophobicContact CG2-CG2 4.26Å; I1372-I1446 HydrophobicContact CB-CD1 4.43Å; I1372-I1446 HydrophobicContact CG1-CB 4.2Å; I1372-I1446 HydrophobicContact CG1-CD1 3.9Å; I1372-I1446 HydrophobicContact CG1-CG1 3.87Å; N1375-I1446 HydrophobicContact CB-CD1 3.64Å; C1442-I1446 WeakPolarHBondContact O-CD1 3.24Å; C1442-I1446 WeakPolarHBondContact O-CG1 3.36Å; C1442-I1446 PolarHBondContact O-N 3.1Å; F1443-I1446 WeakPolarHBondContact O-CG1 3.34Å; F1443-I1446 PolarHBondContact O-N 2.99Å; I1446-Q1449 PolarHBondContact O-N 3.29Å; I1446-R1450 PolarHBondContact O-N 3.17Å
1447I93.9Very high91.1Very high19.2 Ų19.238.5 Ų38.510%0.09819%0.185CC..Hα-helixtrans-69.5-41.6172.4-72.5-108.1000111.1E1152 H1155 L1181 I1372 F1443 I1444 F1445 Q1449 R1450 K1451E1152-I1447 HydrophobicContact CB-CG2 3.72Å; E1152-I1447 HydrophobicContact CG-CG2 3.79Å; H1155-I1447 HydrophobicContact CB-CD1 3.95Å; L1181-I1447 HydrophobicContact CD1-CD1 4.15Å; I1372-I1447 HydrophobicContact CD1-CD1 4.16Å; I1372-I1447 HydrophobicContact CG1-CD1 4.42Å; I1372-I1447 HydrophobicContact CG2-CD1 4.05Å; F1443-I1447 HydrophobicContact CD1-CD1 4.03Å; F1443-I1447 HydrophobicContact CD1-CG1 4.16Å; F1443-I1447 HydrophobicContact CD2-CD1 4.13Å; F1443-I1447 HydrophobicContact CD2-CG1 4.23Å; F1443-I1447 HydrophobicContact CE1-CD1 3.53Å; F1443-I1447 HydrophobicContact CE1-CG1 3.86Å; F1443-I1447 HydrophobicContact CE2-CD1 3.9Å; F1443-I1447 HydrophobicContact CE2-CG1 4.07Å; F1443-I1447 HydrophobicContact CG-CD1 4.33Å; F1443-I1447 HydrophobicContact CG-CG1 4.32Å; F1443-I1447 HydrophobicContact CZ-CD1 3.7Å; F1443-I1447 VanDerWaalsContact CZ-CD1 3.41Å; F1443-I1447 HydrophobicContact CZ-CG1 3.89Å; F1443-I1447 VanDerWaalsContact O-CB 3.28Å; F1443-I1447 WeakPolarHBondContact O-CB 3.35Å; F1443-I1447 WeakPolarHBondContact O-CG1 3.44Å; F1443-I1447 PolarHBondContact O-N 3.21Å; I1444-I1447 PolarHBondContact O-N 3.1Å; F1445-I1447 PolarHBondContact O-N 3.33Å; I1447-Q1449 VanDerWaalsContact C-N 3.3Å; I1447-Q1449 PolarHBondContact O-N 2.99Å; I1447-R1450 WeakPolarHBondContact O-CB 3.43Å; I1447-R1450 PolarHBondContact O-N 3.01Å; I1447-R1450 VanDerWaalsContact O-N 3.14Å; I1447-K1451 PolarHBondContact O-N 3.28Å; I1447-K1451 VanDerWaalsContact O-N 3.11Å
1448F93Very high91.1Very high88 Ų8834.2 Ų34.239%0.38617%0.165SC..Hα-helixtrans-59.5-42.7173.4-176.2-96.1000111.3F1149 I1315 I1444 F1445 R1450 K1451 V1452F1149-F1448 HydrophobicContact CE1-CE2 4.04Å; F1149-F1448 HydrophobicContact CZ-CE2 4.48Å; I1315-F1448 HydrophobicContact CG2-CE1 4.28Å; I1315-F1448 HydrophobicContact CG2-CZ 4.13Å; I1444-F1448 WeakPolarHBondContact O-CB 3.36Å; I1444-F1448 PolarHBondContact O-N 3.02Å; F1445-F1448 PolarHBondContact O-N 3.09Å; F1448-R1450 VanDerWaalsContact C-N 3.32Å; F1448-R1450 PolarHBondContact O-N 3.14Å; F1448-K1451 CarbonylContact O-C 3.53Å; F1448-K1451 WeakPolarHBondContact O-CA 3.32Å; F1448-K1451 WeakPolarHBondContact O-CB 3.45Å; F1448-K1451 PolarHBondContact O-N 3.15Å; F1448-K1451 VanDerWaalsContact O-N 3.08Å; F1448-V1452 HydrophobicContact CD1-CG2 4.13Å; F1448-V1452 HydrophobicContact CE1-CG2 3.74Å; F1448-V1452 HydrophobicContact CZ-CG2 4.26Å; F1448-V1452 PolarHBondContact O-N 3.33Å
1449Q93.2Very high90.9Very high2.2 Ų2.230.4 Ų30.41%0.0115%0.151CC..Hα-helixtrans-64.4-38.1176.9-17058.730.900112.9S1319 W1368 F1445 I1446 I1447 K1451 V1452 F1453S1319-Q1449 VanDerWaalsContact C-OE1 3.26Å; S1319-Q1449 VanDerWaalsContact CB-OE1 3.24Å; S1319-Q1449 PolarHBondContact O-OE1 2.99Å; S1319-Q1449 PolarHBondContact OG-OE1 3.04Å; W1368-Q1449 HydrophobicContact CH2-CG 4Å; W1368-Q1449 HydrophobicContact CZ2-CB 3.66Å; W1368-Q1449 HydrophobicContact CZ2-CG 3.49Å; W1368-Q1449 VanDerWaalsContact CZ2-CG 3.49Å; F1445-Q1449 WeakPolarHBondContact O-CB 3.37Å; F1445-Q1449 PolarHBondContact O-N 3.17Å; I1446-Q1449 PolarHBondContact O-N 3.29Å; I1447-Q1449 VanDerWaalsContact C-N 3.3Å; I1447-Q1449 PolarHBondContact O-N 2.99Å; Q1449-K1451 VanDerWaalsContact C-N 3.31Å; Q1449-K1451 PolarHBondContact O-N 3.21Å; Q1449-V1452 WeakPolarHBondContact O-CB 3.4Å; Q1449-V1452 PolarHBondContact O-N 3.12Å; Q1449-F1453 HydrophobicContact CG-CD2 4.32Å; Q1449-F1453 HydrophobicContact CG-CE1 4.46Å; Q1449-F1453 HydrophobicContact CG-CE2 3.74Å; Q1449-F1453 HydrophobicContact CG-CZ 3.85Å; Q1449-F1453 VanDerWaalsContact NE2-CZ 3.29Å; Q1449-F1453 WeakPolarHBondContact O-CD2 3.36Å; Q1449-F1453 WeakPolarHBondContact O-CG 3.38Å; Q1449-F1453 PolarHBondContact O-N 3.14Å; Q1449-F1453 VanDerWaalsContact O-N 3.08Å
1450R92.7Very high90.5Very high66.8 Ų66.830.7 Ų30.725%0.25215%0.153SC..Hα-helixtrans-59.9-37.3170.7-178.5177.9174-149.34.9111.8L1181 N1369 I1372 I1446 I1447 F1448 F1453 T1454L1181-R1450 PolarHBondContact O-NH1 3.01Å; L1181-R1450 PolarHBondContact O-NH2 3.08Å; L1181-R1450 VanDerWaalsContact O-NH2 3.11Å; N1369-R1450 PolarHBondContact OD1-NE 3.22Å; I1372-R1450 HydrophobicContact CD1-CB 3.91Å; I1372-R1450 HydrophobicContact CD1-CG 4.27Å; I1446-R1450 PolarHBondContact O-N 3.17Å; I1447-R1450 WeakPolarHBondContact O-CB 3.43Å; I1447-R1450 PolarHBondContact O-N 3.01Å; I1447-R1450 VanDerWaalsContact O-N 3.14Å; F1448-R1450 VanDerWaalsContact C-N 3.32Å; F1448-R1450 PolarHBondContact O-N 3.14Å; R1450-F1453 PolarHBondContact O-N 3.19Å; R1450-T1454 PolarHBondContact O-N 3.2Å; R1450-T1454 PolarHBondContact O-OG1 3.27Å
1451K91.4Very high90.3Very high59.8 Ų59.829.4 Ų29.426%0.2615%0.146SC..Hα-helixtrans-71.4-36.6176.4-170.462.1165.9-94.80112.3K1148 F1149 E1152 I1447 F1448 Q1449 F1453 T1454 S1455K1148-K1451 PolarHBondContact O-NZ 3.16Å; F1149-K1451 HydrophobicContact CD1-CG 3.99Å; F1149-K1451 HydrophobicContact CE1-CG 3.78Å; E1152-K1451 HydrophobicContact CG-CB 4.46Å; E1152-K1451 WeakPolarHBondContact OE1-CD 3.3Å; E1152-K1451 IonicContact OE1-NZ 2.9Å; E1152-K1451 PolarHBondContact OE1-NZ 3.19Å; E1152-K1451 IonicContact OE2-NZ 3.38Å; E1152-K1451 PolarHBondContact OE2-NZ 3.27Å; I1447-K1451 PolarHBondContact O-N 3.28Å; I1447-K1451 VanDerWaalsContact O-N 3.11Å; F1448-K1451 CarbonylContact O-C 3.53Å; F1448-K1451 WeakPolarHBondContact O-CA 3.32Å; F1448-K1451 WeakPolarHBondContact O-CB 3.45Å; F1448-K1451 PolarHBondContact O-N 3.15Å; F1448-K1451 VanDerWaalsContact O-N 3.08Å; Q1449-K1451 VanDerWaalsContact C-N 3.31Å; Q1449-K1451 PolarHBondContact O-N 3.21Å; K1451-F1453 PolarHBondContact O-N 3.32Å; K1451-T1454 WeakPolarHBondContact CA-OG1 3.34Å; K1451-T1454 PolarHBondContact O-N 3.17Å; K1451-T1454 VanDerWaalsContact O-N 3.15Å; K1451-T1454 PolarHBondContact O-OG1 2.92Å; K1451-S1455 PolarHBondContact O-N 3.19Å
1452V91Very high90Very high4.2 Ų4.227.2 Ų27.23%0.02513%0.133CC..Hα-helixtrans-57-50.8170.4162.80000111F1316 F1448 Q1449 T1454 S1455 F1458F1316-V1452 HydrophobicContact CD1-CG1 4.1Å; F1316-V1452 HydrophobicContact CD1-CG2 4.23Å; F1316-V1452 HydrophobicContact CE1-CG2 4.42Å; F1448-V1452 HydrophobicContact CD1-CG2 4.13Å; F1448-V1452 HydrophobicContact CE1-CG2 3.74Å; F1448-V1452 HydrophobicContact CZ-CG2 4.26Å; F1448-V1452 PolarHBondContact O-N 3.33Å; Q1449-V1452 WeakPolarHBondContact O-CB 3.4Å; Q1449-V1452 PolarHBondContact O-N 3.12Å; V1452-T1454 PolarHBondContact O-N 3.22Å; V1452-T1454 VanDerWaalsContact O-N 3.1Å; V1452-S1455 VanDerWaalsContact O-CB 3.32Å; V1452-S1455 WeakPolarHBondContact O-CB 3.43Å; V1452-S1455 PolarHBondContact O-N 3.15Å; V1452-S1455 VanDerWaalsContact O-N 3.09Å; V1452-F1458 HydrophobicContact CG1-CD2 4.41Å; V1452-F1458 WeakPolarHBondContact O-CB 3.25Å
1453F90.5Very high89.5Confident0.8 Ų0.828.9 Ų28.90%0.00414%0.141CC..THydrogen-bonded Turntrans-63.5-15.7179.9-63.9-38.6000115.2Y1320 L1357 L1364 I1365 W1368 Q1449 R1450 K1451 F1458Y1320-F1453 AromaticContact CD2-CZ 3.96Å; Y1320-F1453 HydrophobicContact CD2-CZ 3.97Å; Y1320-F1453 HydrophobicContact CE2-CZ 4.47Å; L1357-F1453 HydrophobicContact CD2-CE1 3.6Å; L1357-F1453 HydrophobicContact CD2-CZ 4.12Å; L1364-F1453 HydrophobicContact CD1-CD2 4.42Å; L1364-F1453 HydrophobicContact CD1-CE1 4.35Å; L1364-F1453 HydrophobicContact CD1-CE2 3.98Å; L1364-F1453 HydrophobicContact CD1-CZ 3.93Å; L1364-F1453 HydrophobicContact CD2-CB 4.44Å; L1364-F1453 HydrophobicContact CD2-CD1 3.78Å; L1364-F1453 HydrophobicContact CD2-CD2 4.39Å; L1364-F1453 HydrophobicContact CD2-CE1 3.97Å; L1364-F1453 HydrophobicContact CD2-CE2 4.5Å; L1364-F1453 HydrophobicContact CD2-CG 4Å; L1364-F1453 HydrophobicContact CD2-CZ 4.35Å; L1364-F1453 HydrophobicContact CG-CD1 4.45Å; L1364-F1453 HydrophobicContact CG-CD2 4.22Å; L1364-F1453 HydrophobicContact CG-CE1 4.48Å; L1364-F1453 HydrophobicContact CG-CE2 4.28Å; L1364-F1453 HydrophobicContact CG-CG 4.3Å; L1364-F1453 HydrophobicContact CG-CZ 4.42Å; I1365-F1453 HydrophobicContact CG1-CB 4.49Å; W1368-F1453 HydrophobicContact CB-CE2 4.33Å; W1368-F1453 HydrophobicContact CD2-CD2 4.49Å; W1368-F1453 AromaticContact CD2-CE2 3.72Å; W1368-F1453 HydrophobicContact CD2-CE2 3.72Å; W1368-F1453 AromaticContact CE3-CE2 3.89Å; W1368-F1453 HydrophobicContact CE3-CE2 3.89Å; W1368-F1453 HydrophobicContact CE3-CZ 4.44Å; W1368-F1453 HydrophobicContact CG-CD2 4.29Å; W1368-F1453 AromaticContact CG-CE2 3.91Å; W1368-F1453 HydrophobicContact CG-CE2 3.91Å; W1368-F1453 HydrophobicContact CZ3-CE2 4.46Å; Q1449-F1453 HydrophobicContact CG-CD2 4.32Å; Q1449-F1453 HydrophobicContact CG-CE1 4.46Å; Q1449-F1453 HydrophobicContact CG-CE2 3.74Å; Q1449-F1453 HydrophobicContact CG-CZ 3.85Å; Q1449-F1453 VanDerWaalsContact NE2-CZ 3.29Å; Q1449-F1453 WeakPolarHBondContact O-CD2 3.36Å; Q1449-F1453 WeakPolarHBondContact O-CG 3.38Å; Q1449-F1453 PolarHBondContact O-N 3.14Å; Q1449-F1453 VanDerWaalsContact O-N 3.08Å; R1450-F1453 PolarHBondContact O-N 3.19Å; K1451-F1453 PolarHBondContact O-N 3.32Å; F1453-F1458 HydrophobicContact CD1-CD1 4.43Å; F1453-F1458 HydrophobicContact CD1-CD2 4.21Å; F1453-F1458 AromaticContact CD1-CE1 3.96Å; F1453-F1458 HydrophobicContact CD1-CE1 4.02Å; F1453-F1458 AromaticContact CD1-CE2 3.78Å; F1453-F1458 HydrophobicContact CD1-CE2 3.78Å; F1453-F1458 HydrophobicContact CD1-CG 4.5Å; F1453-F1458 AromaticContact CD1-CZ 3.68Å; F1453-F1458 HydrophobicContact CD1-CZ 3.68Å; F1453-F1458 AromaticContact CE1-CE2 3.96Å; F1453-F1458 HydrophobicContact CE1-CE2 3.98Å; F1453-F1458 AromaticContact CE1-CZ 3.92Å; F1453-F1458 HydrophobicContact CE1-CZ 3.94Å
1454T86.9Confident89.1Confident26.4 Ų26.429.8 Ų29.816%0.16215%0.147CC..THydrogen-bonded Turntrans-102.54.3177.251.40000114P1286 I1365 R1450 K1451 V1452P1286-T1454 HydrophobicContact CB-CG2 4.24Å; I1365-T1454 HydrophobicContact CD1-CG2 3.63Å; I1365-T1454 HydrophobicContact CG1-CG2 4.4Å; R1450-T1454 PolarHBondContact O-N 3.2Å; R1450-T1454 PolarHBondContact O-OG1 3.27Å; K1451-T1454 WeakPolarHBondContact CA-OG1 3.34Å; K1451-T1454 PolarHBondContact O-N 3.17Å; K1451-T1454 VanDerWaalsContact O-N 3.15Å; K1451-T1454 PolarHBondContact O-OG1 2.92Å; V1452-T1454 PolarHBondContact O-N 3.22Å; V1452-T1454 VanDerWaalsContact O-N 3.1Å
1455S86.2Confident88.7Confident37.4 Ų37.426.2 Ų26.226%0.26213%0.128SC..SBendtrans-90.9147.2-179.4-174.30000112.5K1451 V1452 S1457 F1458K1451-S1455 PolarHBondContact O-N 3.19Å; V1452-S1455 VanDerWaalsContact O-CB 3.32Å; V1452-S1455 WeakPolarHBondContact O-CB 3.43Å; V1452-S1455 PolarHBondContact O-N 3.15Å; V1452-S1455 VanDerWaalsContact O-N 3.09Å; S1455-S1457 VanDerWaalsContact C-N 3.26Å; S1455-S1457 PolarHBondContact O-N 3.02Å; S1455-S1457 PolarHBondContact OG-N 3.11Å; S1455-F1458 WeakPolarHBondContact O-CB 3.29Å; S1455-F1458 PolarHBondContact O-N 3.01Å; S1455-F1458 VanDerWaalsContact O-N 3.08Å
1456H82.1Confident88.3Confident44.6 Ų44.625.3 Ų25.321%0.20613%0.125CC..THydrogen-bonded Turntrans-57.2-36.9174-170.9-115000112.4I1287 D1297 F1458 S1459I1287-H1456 HydrophobicContact CD1-CB 3.95Å; D1297-H1456 VanDerWaalsContact CG-CE1 3.47Å; D1297-H1456 IonicContact OD1-CE1 3.01Å; D1297-H1456 IonicContact OD1-ND1 3.1Å; D1297-H1456 IonicContact OD2-CE1 3.46Å; D1297-H1456 PolarHBondContact OD2-CE1 3.08Å; D1297-H1456 VanDerWaalsContact OD2-CE1 3.23Å; D1297-H1456 IonicContact OD2-ND1 3.15Å; H1456-F1458 PolarHBondContact O-N 3.21Å; H1456-F1458 VanDerWaalsContact O-N 3.12Å; H1456-S1459 VanDerWaalsContact O-CB 3.24Å; H1456-S1459 WeakPolarHBondContact O-CB 3.26Å; H1456-S1459 PolarHBondContact O-N 3.14Å; H1456-S1459 PolarHBondContact O-OG 3.21Å; H1456-S1459 VanDerWaalsContact O-OG 3.14Å
1457S83.6Confident87.9Confident23.8 Ų23.826.4 Ų26.417%0.16613%0.132CC..Hα-helixtrans-58.7-23.2178.4-47.90000113.6F1300 F1316 S1455 S1459 H1460F1300-S1457 WeakPolarHBondContact CZ-O 3.29Å; F1316-S1457 VanDerWaalsContact CE2-CB 3.42Å; F1316-S1457 WeakPolarHBondContact CE2-OG 3.21Å; F1316-S1457 WeakPolarHBondContact CZ-OG 3.5Å; S1455-S1457 VanDerWaalsContact C-N 3.26Å; S1455-S1457 PolarHBondContact O-N 3.02Å; S1455-S1457 PolarHBondContact OG-N 3.11Å; S1457-S1459 VanDerWaalsContact C-N 3.3Å; S1457-S1459 PolarHBondContact O-N 2.95Å; S1457-H1460 PolarHBondContact O-N 3.01Å
1458F86.9Confident87.5Confident2.6 Ų2.628.7 Ų28.71%0.01114%0.142CC..Hα-helixtrans-71.4-22175.4-171.7-110.9000112.8L1357 L1364 V1452 F1453 S1455 H1456 H1460 V1461 L1462L1357-F1458 HydrophobicContact CD2-CE2 4.28Å; L1357-F1458 HydrophobicContact CD2-CZ 4.2Å; L1364-F1458 HydrophobicContact CD2-CE1 3.86Å; L1364-F1458 HydrophobicContact CD2-CZ 4.04Å; V1452-F1458 HydrophobicContact CG1-CD2 4.41Å; V1452-F1458 WeakPolarHBondContact O-CB 3.25Å; F1453-F1458 HydrophobicContact CD1-CD1 4.43Å; F1453-F1458 HydrophobicContact CD1-CD2 4.21Å; F1453-F1458 AromaticContact CD1-CE1 3.96Å; F1453-F1458 HydrophobicContact CD1-CE1 4.02Å; F1453-F1458 AromaticContact CD1-CE2 3.78Å; F1453-F1458 HydrophobicContact CD1-CE2 3.78Å; F1453-F1458 HydrophobicContact CD1-CG 4.5Å; F1453-F1458 AromaticContact CD1-CZ 3.68Å; F1453-F1458 HydrophobicContact CD1-CZ 3.68Å; F1453-F1458 AromaticContact CE1-CE2 3.96Å; F1453-F1458 HydrophobicContact CE1-CE2 3.98Å; F1453-F1458 AromaticContact CE1-CZ 3.92Å; F1453-F1458 HydrophobicContact CE1-CZ 3.94Å; S1455-F1458 WeakPolarHBondContact O-CB 3.29Å; S1455-F1458 PolarHBondContact O-N 3.01Å; S1455-F1458 VanDerWaalsContact O-N 3.08Å; H1456-F1458 PolarHBondContact O-N 3.21Å; H1456-F1458 VanDerWaalsContact O-N 3.12Å; F1458-H1460 VanDerWaalsContact C-N 3.31Å; F1458-H1460 PolarHBondContact O-N 3Å; F1458-V1461 HydrophobicContact CD2-CB 4.23Å; F1458-V1461 HydrophobicContact CD2-CG1 4.45Å; F1458-V1461 HydrophobicContact CE2-CB 4.47Å; F1458-V1461 HydrophobicContact CE2-CG1 4.32Å; F1458-V1461 PolarHBondContact O-N 3.32Å; F1458-L1462 HydrophobicContact CE1-CB 4.45Å; F1458-L1462 WeakPolarHBondContact O-CB 3.28Å; F1458-L1462 PolarHBondContact O-N 3.16Å
1459S84.8Confident87.1Confident4.8 Ų4.827 Ų273%0.03414%0.142CC..Hα-helixtrans-59.4-41.1172.7-68.80000112.1E1291 R1361 H1456 S1457 V1461 L1462 L1463E1291-S1459 WeakPolarHBondContact O-CB 3.17Å; E1291-S1459 PolarHBondContact O-OG 2.98Å; E1291-S1459 VanDerWaalsContact O-OG 3.11Å; R1361-S1459 PolarHBondContact NH1-OG 3.28Å; R1361-S1459 PolarHBondContact NH2-OG 3.12Å; H1456-S1459 VanDerWaalsContact O-CB 3.24Å; H1456-S1459 WeakPolarHBondContact O-CB 3.26Å; H1456-S1459 PolarHBondContact O-N 3.14Å; H1456-S1459 PolarHBondContact O-OG 3.21Å; H1456-S1459 VanDerWaalsContact O-OG 3.14Å; S1457-S1459 VanDerWaalsContact C-N 3.3Å; S1457-S1459 PolarHBondContact O-N 2.95Å; S1459-V1461 VanDerWaalsContact C-N 3.33Å; S1459-V1461 PolarHBondContact O-N 3.17Å; S1459-L1462 PolarHBondContact O-N 3.25Å; S1459-L1463 WeakPolarHBondContact O-CB 3.41Å; S1459-L1463 PolarHBondContact O-N 3.16Å
1460H85.2Confident86.6Confident9.4 Ų9.432.9 Ų32.94%0.04416%0.164CC..Hα-helixtrans-66-38.8176.9-64.1-106.7000112.2D1299 F1300 V1301 S1457 F1458 L1463 D1464D1299-H1460 IonicContact OD1-CG 2.86Å; D1299-H1460 IonicContact OD1-ND1 3.13Å; D1299-H1460 PolarHBondContact OD1-ND1 2.82Å; F1300-H1460 HydrophobicContact CE1-CB 3.84Å; F1300-H1460 AromaticContact CE1-CD2 3.77Å; F1300-H1460 AromaticContact CE1-CG 3.73Å; F1300-H1460 HydrophobicContact CZ-CB 4.04Å; V1301-H1460 HydrophobicContact CG2-CB 3.84Å; S1457-H1460 PolarHBondContact O-N 3.01Å; F1458-H1460 VanDerWaalsContact C-N 3.31Å; F1458-H1460 PolarHBondContact O-N 3Å; H1460-L1463 PolarHBondContact O-N 2.91Å; H1460-D1464 WeakPolarHBondContact O-CB 3.43Å; H1460-D1464 PolarHBondContact O-N 3.19Å
1461V87.7Confident86.3Confident2.2 Ų2.232.6 Ų32.61%0.01317%0.165CC..Hα-helixtrans-69-45.2177.5177.60000110.4V1301 F1316 Y1317 F1458 S1459 L1463 D1464 L1465V1301-V1461 HydrophobicContact CG2-CG2 4.37Å; F1316-V1461 HydrophobicContact CB-CG2 4Å; Y1317-V1461 HydrophobicContact CD2-CG1 4.09Å; F1458-V1461 HydrophobicContact CD2-CB 4.23Å; F1458-V1461 HydrophobicContact CD2-CG1 4.45Å; F1458-V1461 HydrophobicContact CE2-CB 4.47Å; F1458-V1461 HydrophobicContact CE2-CG1 4.32Å; F1458-V1461 PolarHBondContact O-N 3.32Å; S1459-V1461 VanDerWaalsContact C-N 3.33Å; S1459-V1461 PolarHBondContact O-N 3.17Å; V1461-L1463 VanDerWaalsContact C-N 3.32Å; V1461-L1463 PolarHBondContact O-N 3.03Å; V1461-D1464 WeakPolarHBondContact O-CB 3.4Å; V1461-D1464 PolarHBondContact O-N 3.21Å; V1461-L1465 HydrophobicContact CG1-CD1 4.09Å; V1461-L1465 HydrophobicContact CG1-CG 4.33Å; V1461-L1465 WeakPolarHBondContact O-CB 3.12Å; V1461-L1465 VanDerWaalsContact O-CG 3.28Å; V1461-L1465 WeakPolarHBondContact O-CG 3.32Å; V1461-L1465 PolarHBondContact O-N 3.05Å
1462L86.2Confident86Confident8.6 Ų8.632.4 Ų32.45%0.04517%0.174CC..Hα-helixtrans-59.8-42.6176.4179.860.2000111.8N1290 L1357 L1358 F1458 S1459 L1465 Q1466N1290-L1462 VanDerWaalsContact OD1-CD2 3.23Å; N1290-L1462 WeakPolarHBondContact OD1-CD2 3.39Å; L1357-L1462 VanDerWaalsContact O-CD1 3.29Å; L1357-L1462 WeakPolarHBondContact O-CD1 3.31Å; L1358-L1462 HydrophobicContact CD2-CD1 4.49Å; F1458-L1462 HydrophobicContact CE1-CB 4.45Å; F1458-L1462 WeakPolarHBondContact O-CB 3.28Å; F1458-L1462 PolarHBondContact O-N 3.16Å; S1459-L1462 PolarHBondContact O-N 3.25Å; L1462-L1465 PolarHBondContact O-N 3.2Å; L1462-Q1466 HydrophobicContact CD1-CG 4.37Å; L1462-Q1466 WeakPolarHBondContact O-CB 3.32Å; L1462-Q1466 VanDerWaalsContact O-CG 3.29Å; L1462-Q1466 WeakPolarHBondContact O-CG 3.37Å; L1462-Q1466 PolarHBondContact O-N 3.12Å
1463L85.3Confident85.7Confident34.2 Ų34.235.3 Ų35.318%0.17919%0.194CC..Hα-helixtrans-62.3-45.9175.6178.960.1000111.9P1293 S1459 H1460 V1461 L1465 Q1466 V1467 K2261 V2264 I2265P1293-L1463 HydrophobicContact CG-CD2 4.47Å; S1459-L1463 WeakPolarHBondContact O-CB 3.41Å; S1459-L1463 PolarHBondContact O-N 3.16Å; H1460-L1463 PolarHBondContact O-N 2.91Å; V1461-L1463 VanDerWaalsContact C-N 3.32Å; V1461-L1463 PolarHBondContact O-N 3.03Å; L1463-L1465 VanDerWaalsContact C-N 3.35Å; L1463-L1465 PolarHBondContact O-N 3.11Å; L1463-Q1466 PolarHBondContact O-N 3.05Å; L1463-V1467 HydrophobicContact CD1-CG2 4.41Å; L1463-V1467 WeakPolarHBondContact O-CB 3.36Å; L1463-V1467 VanDerWaalsContact O-CG2 3.29Å; L1463-V1467 WeakPolarHBondContact O-CG2 3.35Å; L1463-V1467 PolarHBondContact O-N 3.12Å; L1463-K2261 HydrophobicContact CD2-CG 3.94Å; L1463-K2261 HydrophobicContact CG-CG 4.26Å; L1463-V2264 HydrophobicContact CD1-CG1 3.8Å; L1463-I2265 HydrophobicContact CD2-CD1 4.24Å; L1463-I2265 HydrophobicContact CD2-CG1 4.03Å
1464D86.7Confident85.4Confident32.2 Ų32.239.4 Ų39.417%0.17221%0.21CC..Hα-helixtrans-61.1-42.7176.6-170.563.5000111.9V1301 H1460 V1461 Q1466 V1467 Q1468 K2261V1301-D1464 HydrophobicContact CG1-CB 3.81Å; V1301-D1464 WeakPolarHBondContact CG1-OD2 3.38Å; H1460-D1464 WeakPolarHBondContact O-CB 3.43Å; H1460-D1464 PolarHBondContact O-N 3.19Å; V1461-D1464 WeakPolarHBondContact O-CB 3.4Å; V1461-D1464 PolarHBondContact O-N 3.21Å; D1464-Q1466 PolarHBondContact O-N 3.14Å; D1464-V1467 CarbonylContact O-C 3.57Å; D1464-V1467 WeakPolarHBondContact O-CB 3.42Å; D1464-V1467 PolarHBondContact O-N 3.06Å; D1464-V1467 VanDerWaalsContact O-N 3.1Å; D1464-Q1468 VanDerWaalsContact O-CB 3.25Å; D1464-Q1468 WeakPolarHBondContact O-CB 3.42Å; D1464-Q1468 VanDerWaalsContact O-CG 3.26Å; D1464-Q1468 WeakPolarHBondContact O-CG 3.42Å; D1464-Q1468 PolarHBondContact O-N 3.03Å; D1464-Q1468 PolarHBondContact OD1-NE2 2.67Å; D1464-Q1468 PolarHBondContact OD2-NE2 3.42Å; D1464-K2261 IonicContact OD1-NZ 3.32Å
1465L86.5Confident85.5Confident3.4 Ų3.439.1 Ų39.12%0.01821%0.212CC..Hα-helixtrans-67.6-36.8176.4-65.3-178.8000113Y1317 L1354 L1357 L1358 V1461 L1462 L1463 V1467 Q1468 S1469Y1317-L1465 HydrophobicContact CE2-CD2 3.85Å; L1354-L1465 HydrophobicContact CD1-CB 4.34Å; L1354-L1465 HydrophobicContact CD1-CD1 3.88Å; L1354-L1465 HydrophobicContact CD1-CD2 3.78Å; L1354-L1465 HydrophobicContact CD1-CG 4.29Å; L1354-L1465 HydrophobicContact CD2-CD2 4.36Å; L1354-L1465 HydrophobicContact CG-CD2 4.35Å; L1357-L1465 HydrophobicContact CB-CD1 3.93Å; L1357-L1465 HydrophobicContact CD1-CD1 3.98Å; L1357-L1465 HydrophobicContact CD2-CD1 3.7Å; L1357-L1465 HydrophobicContact CG-CD1 4.46Å; L1358-L1465 HydrophobicContact CD2-CB 4Å; V1461-L1465 HydrophobicContact CG1-CD1 4.09Å; V1461-L1465 HydrophobicContact CG1-CG 4.33Å; V1461-L1465 WeakPolarHBondContact O-CB 3.12Å; V1461-L1465 VanDerWaalsContact O-CG 3.28Å; V1461-L1465 WeakPolarHBondContact O-CG 3.32Å; V1461-L1465 PolarHBondContact O-N 3.05Å; L1462-L1465 PolarHBondContact O-N 3.2Å; L1463-L1465 VanDerWaalsContact C-N 3.35Å; L1463-L1465 PolarHBondContact O-N 3.11Å; L1465-V1467 VanDerWaalsContact C-N 3.3Å; L1465-V1467 PolarHBondContact O-N 3.3Å; L1465-Q1468 PolarHBondContact O-N 3.17Å; L1465-S1469 WeakPolarHBondContact O-CB 3.36Å; L1465-S1469 PolarHBondContact O-N 3.03Å; L1465-S1469 PolarHBondContact O-OG 3.31Å
1466Q86.3Confident85.5Confident61.2 Ų61.239.3 Ų39.329%0.28622%0.216SC..Hα-helixtrans-66.4-37.1173.1-75.6177.74.400112L1358 L1462 L1463 D1464 S1469 R1470 L2279L1358-Q1466 HydrophobicContact CD2-CB 4.42Å; L1358-Q1466 HydrophobicContact CD2-CG 3.83Å; L1462-Q1466 HydrophobicContact CD1-CG 4.37Å; L1462-Q1466 WeakPolarHBondContact O-CB 3.32Å; L1462-Q1466 VanDerWaalsContact O-CG 3.29Å; L1462-Q1466 WeakPolarHBondContact O-CG 3.37Å; L1462-Q1466 PolarHBondContact O-N 3.12Å; L1463-Q1466 PolarHBondContact O-N 3.05Å; D1464-Q1466 PolarHBondContact O-N 3.14Å; Q1466-S1469 PolarHBondContact O-N 3.28Å; Q1466-S1469 PolarHBondContact O-OG 3.01Å; Q1466-S1469 VanDerWaalsContact O-OG 3.12Å; Q1466-R1470 WeakPolarHBondContact O-CD 3.31Å; Q1466-R1470 VanDerWaalsContact O-CG 3.27Å; Q1466-R1470 WeakPolarHBondContact O-CG 3.36Å; Q1466-R1470 PolarHBondContact O-N 2.95Å; Q1466-R1470 VanDerWaalsContact O-N 3.1Å; Q1466-L2279 HydrophobicContact CB-CD2 4.04Å
1467V85.4Confident85.7Confident22.8 Ų22.842.3 Ų42.314%0.13823%0.226CC..Hα-helixtrans-67.6-46172.9167.30000110.5L1463 D1464 L1465 S1469 R1470 F1471 K2257 V2260 L2279L1463-V1467 HydrophobicContact CD1-CG2 4.41Å; L1463-V1467 WeakPolarHBondContact O-CB 3.36Å; L1463-V1467 VanDerWaalsContact O-CG2 3.29Å; L1463-V1467 WeakPolarHBondContact O-CG2 3.35Å; L1463-V1467 PolarHBondContact O-N 3.12Å; D1464-V1467 CarbonylContact O-C 3.57Å; D1464-V1467 WeakPolarHBondContact O-CB 3.42Å; D1464-V1467 PolarHBondContact O-N 3.06Å; D1464-V1467 VanDerWaalsContact O-N 3.1Å; L1465-V1467 VanDerWaalsContact C-N 3.3Å; L1465-V1467 PolarHBondContact O-N 3.3Å; V1467-S1469 VanDerWaalsContact C-N 3.3Å; V1467-S1469 PolarHBondContact O-N 3.1Å; V1467-R1470 PolarHBondContact O-N 3.41Å; V1467-R1470 VanDerWaalsContact O-N 3.09Å; V1467-F1471 HydrophobicContact CG1-CD2 3.75Å; V1467-F1471 HydrophobicContact CG1-CE2 3.5Å; V1467-F1471 HydrophobicContact CG1-CZ 3.85Å; V1467-F1471 VanDerWaalsContact O-CD2 3.29Å; V1467-F1471 WeakPolarHBondContact O-CD2 3.35Å; V1467-F1471 WeakPolarHBondContact O-CG 3.49Å; V1467-F1471 PolarHBondContact O-N 3.16Å; V1467-F1471 VanDerWaalsContact O-N 3.1Å; V1467-K2257 HydrophobicContact CG1-CB 3.86Å; V1467-K2257 HydrophobicContact CG1-CD 4.5Å; V1467-K2257 HydrophobicContact CG1-CG 3.78Å; V1467-V2260 HydrophobicContact CG2-CG1 4.23Å; V1467-L2279 HydrophobicContact CG2-CD1 3.72Å
1468Q86.3Confident85.8Confident66.6 Ų66.644.3 Ų44.331%0.31124%0.235SC..Hα-helixtrans-58.9-41.7176.8-136.7177.29.800112.3Y1317 D1464 L1465 R1470 F1471 A1472Y1317-Q1468 PolarHBondContact OH-OE1 3.16Å; Y1317-Q1468 VanDerWaalsContact OH-OE1 3.13Å; D1464-Q1468 VanDerWaalsContact O-CB 3.25Å; D1464-Q1468 WeakPolarHBondContact O-CB 3.42Å; D1464-Q1468 VanDerWaalsContact O-CG 3.26Å; D1464-Q1468 WeakPolarHBondContact O-CG 3.42Å; D1464-Q1468 PolarHBondContact O-N 3.03Å; D1464-Q1468 PolarHBondContact OD1-NE2 2.67Å; D1464-Q1468 PolarHBondContact OD2-NE2 3.42Å; L1465-Q1468 PolarHBondContact O-N 3.17Å; Q1468-R1470 VanDerWaalsContact C-N 3.3Å; Q1468-R1470 PolarHBondContact O-N 2.92Å; Q1468-F1471 PolarHBondContact O-N 3.1Å; Q1468-F1471 VanDerWaalsContact O-N 3.15Å; Q1468-A1472 PolarHBondContact O-N 2.98Å
1469S84.3Confident85.8Confident53.8 Ų53.848.7 Ų48.738%0.37626%0.257SS..Hα-helixtrans-65.4-35.4177.268.80000112.9L1465 Q1466 V1467 F1471 A1472L1465-S1469 WeakPolarHBondContact O-CB 3.36Å; L1465-S1469 PolarHBondContact O-N 3.03Å; L1465-S1469 PolarHBondContact O-OG 3.31Å; Q1466-S1469 PolarHBondContact O-N 3.28Å; Q1466-S1469 PolarHBondContact O-OG 3.01Å; Q1466-S1469 VanDerWaalsContact O-OG 3.12Å; V1467-S1469 VanDerWaalsContact C-N 3.3Å; V1467-S1469 PolarHBondContact O-N 3.1Å; S1469-F1471 VanDerWaalsContact C-N 3.29Å; S1469-F1471 PolarHBondContact O-N 3.21Å; S1469-A1472 WeakPolarHBondContact O-CB 3.41Å; S1469-A1472 PolarHBondContact O-N 3.26Å
1470R82Confident85.9Confident124.8 Ų124.852.4 Ų52.447%0.47128%0.277SS..Hα-helixtrans-71.3-33.8174.1-69.4-169.7-178.3-174.83.8112.5Q1466 V1467 Q1468 A1472 S1473 E2280Q1466-R1470 WeakPolarHBondContact O-CD 3.31Å; Q1466-R1470 VanDerWaalsContact O-CG 3.27Å; Q1466-R1470 WeakPolarHBondContact O-CG 3.36Å; Q1466-R1470 PolarHBondContact O-N 2.95Å; Q1466-R1470 VanDerWaalsContact O-N 3.1Å; V1467-R1470 PolarHBondContact O-N 3.41Å; V1467-R1470 VanDerWaalsContact O-N 3.09Å; Q1468-R1470 VanDerWaalsContact C-N 3.3Å; Q1468-R1470 PolarHBondContact O-N 2.92Å; R1470-A1472 VanDerWaalsContact C-N 3.31Å; R1470-A1472 PolarHBondContact O-N 3.14Å; R1470-S1473 PolarHBondContact O-N 3.44Å; R1470-S1473 PolarHBondContact O-OG 3.03Å; R1470-E2280 VanDerWaalsContact CZ-CG 3.49Å; R1470-E2280 IonicContact CZ-OE1 3.23Å; R1470-E2280 IonicContact NH1-OE1 3.62Å; R1470-E2280 PolarHBondContact NH1-OE1 2.92Å; R1470-E2280 IonicContact NH2-OE1 2.75Å; R1470-E2280 PolarHBondContact NH2-OE1 3.49Å
1471F86.1Confident86.1Confident62 Ų6257.8 Ų57.827%0.27230%0.297SS..Hα-helixtrans-70.7-11.3176.9-79.9-56.5000114.6V1467 Q1468 S1469 S1473 R1474 G1475 I2253 E2256 K2257 V2260 I2287V1467-F1471 HydrophobicContact CG1-CD2 3.75Å; V1467-F1471 HydrophobicContact CG1-CE2 3.5Å; V1467-F1471 HydrophobicContact CG1-CZ 3.85Å; V1467-F1471 VanDerWaalsContact O-CD2 3.29Å; V1467-F1471 WeakPolarHBondContact O-CD2 3.35Å; V1467-F1471 WeakPolarHBondContact O-CG 3.49Å; V1467-F1471 PolarHBondContact O-N 3.16Å; V1467-F1471 VanDerWaalsContact O-N 3.1Å; Q1468-F1471 PolarHBondContact O-N 3.1Å; Q1468-F1471 VanDerWaalsContact O-N 3.15Å; S1469-F1471 VanDerWaalsContact C-N 3.29Å; S1469-F1471 PolarHBondContact O-N 3.21Å; F1471-S1473 VanDerWaalsContact C-N 3.31Å; F1471-S1473 PolarHBondContact O-N 3.32Å; F1471-R1474 HydrophobicContact CD1-CB 4.15Å; F1471-R1474 HydrophobicContact CD1-CG 4.01Å; F1471-R1474 HydrophobicContact CE1-CG 4.3Å; F1471-R1474 PolarHBondContact O-N 3.12Å; F1471-G1475 PolarHBondContact O-N 3.36Å; F1471-I2253 HydrophobicContact CB-CG2 4.44Å; F1471-E2256 HydrophobicContact CD1-CB 4.36Å; F1471-E2256 HydrophobicContact CE1-CB 3.44Å; F1471-E2256 VanDerWaalsContact CE1-CB 3.44Å; F1471-E2256 HydrophobicContact CE1-CG 4.42Å; F1471-E2256 WeakPolarHBondContact CE1-OE2 3.24Å; F1471-E2256 HydrophobicContact CZ-CB 3.75Å; F1471-K2257 HydrophobicContact CB-CG 4.34Å; F1471-K2257 HydrophobicContact CD1-CG 4.48Å; F1471-K2257 HydrophobicContact CD2-CB 4.45Å; F1471-K2257 HydrophobicContact CD2-CG 3.51Å; F1471-K2257 HydrophobicContact CE2-CB 4.38Å; F1471-K2257 HydrophobicContact CE2-CG 3.87Å; F1471-K2257 HydrophobicContact CG-CG 3.84Å; F1471-V2260 HydrophobicContact CE2-CB 4.04Å; F1471-V2260 HydrophobicContact CE2-CG1 4.44Å; F1471-V2260 HydrophobicContact CE2-CG2 3.67Å; F1471-V2260 HydrophobicContact CZ-CB 4.41Å; F1471-V2260 HydrophobicContact CZ-CG2 3.61Å; F1471-I2287 HydrophobicContact CE1-CD1 4.25Å; F1471-I2287 HydrophobicContact CE1-CG1 3.99Å
1472A85.1Confident85.9Confident54.8 Ų54.863.4 Ų63.445%0.45332%0.321SS..Hα-helixtrans-56.8-44.4175.900000113Q1468 S1469 R1470 G1475 A1476Q1468-A1472 PolarHBondContact O-N 2.98Å; S1469-A1472 WeakPolarHBondContact O-CB 3.41Å; S1469-A1472 PolarHBondContact O-N 3.26Å; R1470-A1472 VanDerWaalsContact C-N 3.31Å; R1470-A1472 PolarHBondContact O-N 3.14Å; A1472-G1475 PolarHBondContact O-N 3.23Å; A1472-A1476 PolarHBondContact O-N 3.09Å
1473S85.1Confident86Confident65.4 Ų65.466.8 Ų66.846%0.45734%0.338SS..Hα-helixtrans-66.3-41.517857.60000112.3R1470 F1471 G1475 A1476 Y1477R1470-S1473 PolarHBondContact O-N 3.44Å; R1470-S1473 PolarHBondContact O-OG 3.03Å; F1471-S1473 VanDerWaalsContact C-N 3.31Å; F1471-S1473 PolarHBondContact O-N 3.32Å; S1473-G1475 VanDerWaalsContact C-N 3.3Å; S1473-G1475 PolarHBondContact O-N 3.28Å; S1473-A1476 PolarHBondContact O-N 3.08Å; S1473-Y1477 WeakPolarHBondContact O-CB 3.42Å; S1473-Y1477 PolarHBondContact O-N 3.14Å
1474R85.2Confident86Confident85.8 Ų85.869.3 Ų69.332%0.32435%0.351SS..Hα-helixtrans-62.7-38.8174-176.4138175.9135.1-1.4111.8F1471 Y1477 L1478 E2256 I2287 T2290F1471-R1474 HydrophobicContact CD1-CB 4.15Å; F1471-R1474 HydrophobicContact CD1-CG 4.01Å; F1471-R1474 HydrophobicContact CE1-CG 4.3Å; F1471-R1474 PolarHBondContact O-N 3.12Å; R1474-Y1477 PolarHBondContact O-N 3.4Å; R1474-L1478 HydrophobicContact CG-CD1 4.24Å; R1474-L1478 WeakPolarHBondContact O-CB 3.36Å; R1474-L1478 VanDerWaalsContact O-CG 3.25Å; R1474-L1478 WeakPolarHBondContact O-CG 3.38Å; R1474-L1478 PolarHBondContact O-N 3.21Å; R1474-E2256 VanDerWaalsContact CG-OE2 3.25Å; R1474-E2256 WeakPolarHBondContact CG-OE2 3.48Å; R1474-E2256 IonicContact CZ-OE1 3.58Å; R1474-E2256 IonicContact CZ-OE2 2.64Å; R1474-E2256 IonicContact NE-OE1 2.91Å; R1474-E2256 PolarHBondContact NE-OE1 3.07Å; R1474-E2256 IonicContact NE-OE2 3.43Å; R1474-E2256 PolarHBondContact NE-OE2 2.83Å; R1474-E2256 IonicContact NH2-OE1 2.63Å; R1474-E2256 PolarHBondContact NH2-OE1 3.46Å; R1474-E2256 IonicContact NH2-OE2 3.66Å; R1474-I2287 HydrophobicContact CB-CD1 4.17Å; R1474-I2287 HydrophobicContact CB-CG1 4.39Å; R1474-I2287 HydrophobicContact CG-CG1 4.37Å; R1474-T2290 PolarHBondContact NH2-OG1 3.42Å
1475G88.2Confident86.2Confident20.2 Ų20.272.7 Ų72.721%0.20837%0.368CS..Hα-helixtrans-61.5-49.6173.300000112.1F1471 A1472 S1473 Y1477 L1478 I1479F1471-G1475 PolarHBondContact O-N 3.36Å; A1472-G1475 PolarHBondContact O-N 3.23Å; S1473-G1475 VanDerWaalsContact C-N 3.3Å; S1473-G1475 PolarHBondContact O-N 3.28Å; G1475-Y1477 PolarHBondContact O-N 3.17Å; G1475-L1478 PolarHBondContact O-N 3Å; G1475-I1479 WeakPolarHBondContact O-CB 3.41Å; G1475-I1479 WeakPolarHBondContact O-CD1 3.49Å; G1475-I1479 VanDerWaalsContact O-CG1 3.31Å; G1475-I1479 WeakPolarHBondContact O-CG1 3.33Å; G1475-I1479 PolarHBondContact O-N 3.11Å
1476A87.2Confident86.3Confident42.6 Ų42.674.8 Ų74.835%0.35239%0.386SS..Hα-helixtrans-60.2-44.1176.200000112.2A1472 S1473 L1478 I1479 N1480A1472-A1476 PolarHBondContact O-N 3.09Å; S1473-A1476 PolarHBondContact O-N 3.08Å; A1476-L1478 PolarHBondContact O-N 3.16Å; A1476-I1479 PolarHBondContact O-N 3.19Å; A1476-N1480 VanDerWaalsContact O-CB 3.26Å; A1476-N1480 WeakPolarHBondContact O-CB 3.4Å; A1476-N1480 VanDerWaalsContact O-CG 3.27Å; A1476-N1480 PolarHBondContact O-N 3.16Å; A1476-N1480 PolarHBondContact O-OD1 3.2Å
1477Y85.8Confident86.4Confident106.6 Ų106.675.4 Ų75.442%0.41839%0.39SS..Hα-helixtrans-59-45.6174.5172.2-93.2000112.4S1473 R1474 G1475 I1479 N1480 R1481 E2292S1473-Y1477 WeakPolarHBondContact O-CB 3.42Å; S1473-Y1477 PolarHBondContact O-N 3.14Å; R1474-Y1477 PolarHBondContact O-N 3.4Å; G1475-Y1477 PolarHBondContact O-N 3.17Å; Y1477-I1479 VanDerWaalsContact C-N 3.34Å; Y1477-I1479 PolarHBondContact O-N 3.41Å; Y1477-N1480 PolarHBondContact O-N 3.2Å; Y1477-R1481 HydrophobicContact CE1-CB 4.49Å; Y1477-R1481 VanDerWaalsContact O-CB 3.28Å; Y1477-R1481 WeakPolarHBondContact O-CB 3.35Å; Y1477-R1481 PolarHBondContact O-N 3.16Å; Y1477-R1481 PolarHBondContact OH-NH1 2.88Å; Y1477-E2292 VanDerWaalsContact CE1-OE2 3.31Å; Y1477-E2292 WeakPolarHBondContact CE1-OE2 3.27Å; Y1477-E2292 PolarHBondContact OH-OE2 3.02Å
1478L85.9Confident86.6Confident66 Ų6679.6 Ų79.635%0.34641%0.409SS..Hα-helixtrans-67.6-36.4179.3-72.1171.7000112.6R1474 G1475 A1476 K1482 I2249 I2253R1474-L1478 HydrophobicContact CG-CD1 4.24Å; R1474-L1478 WeakPolarHBondContact O-CB 3.36Å; R1474-L1478 VanDerWaalsContact O-CG 3.25Å; R1474-L1478 WeakPolarHBondContact O-CG 3.38Å; R1474-L1478 PolarHBondContact O-N 3.21Å; G1475-L1478 PolarHBondContact O-N 3Å; A1476-L1478 PolarHBondContact O-N 3.16Å; L1478-K1482 WeakPolarHBondContact O-CB 3.26Å; L1478-K1482 PolarHBondContact O-N 3.14Å; L1478-I2249 HydrophobicContact CB-CG2 4.05Å; L1478-I2249 HydrophobicContact CD1-CG2 4.29Å; L1478-I2253 HydrophobicContact CD1-CD1 4.09Å; L1478-I2253 HydrophobicContact CD1-CG1 3.88Å
1479I86.9Confident86.8Confident95.6 Ų95.682.4 Ų82.449%0.4942%0.421SS..Hα-helixtrans-66.8-49.7174.5-69.2165.1000110.2G1475 A1476 Y1477 R1481 K1482 L1483G1475-I1479 WeakPolarHBondContact O-CB 3.41Å; G1475-I1479 WeakPolarHBondContact O-CD1 3.49Å; G1475-I1479 VanDerWaalsContact O-CG1 3.31Å; G1475-I1479 WeakPolarHBondContact O-CG1 3.33Å; G1475-I1479 PolarHBondContact O-N 3.11Å; A1476-I1479 PolarHBondContact O-N 3.19Å; Y1477-I1479 VanDerWaalsContact C-N 3.34Å; Y1477-I1479 PolarHBondContact O-N 3.41Å; I1479-R1481 VanDerWaalsContact C-N 3.34Å; I1479-R1481 PolarHBondContact O-N 3.08Å; I1479-K1482 PolarHBondContact O-N 3.18Å; I1479-K1482 VanDerWaalsContact O-N 3.13Å; I1479-L1483 WeakPolarHBondContact O-CB 3.34Å; I1479-L1483 PolarHBondContact O-N 3.06Å
1480N86.9Confident86.9Confident81.2 Ų81.285.1 Ų85.143%0.43443%0.428SS..Hα-helixtrans-62.3-42.1178.9-71.30.9000111.6A1476 Y1477 K1482 L1483 M1484A1476-N1480 VanDerWaalsContact O-CB 3.26Å; A1476-N1480 WeakPolarHBondContact O-CB 3.4Å; A1476-N1480 VanDerWaalsContact O-CG 3.27Å; A1476-N1480 PolarHBondContact O-N 3.16Å; A1476-N1480 PolarHBondContact O-OD1 3.2Å; Y1477-N1480 PolarHBondContact O-N 3.2Å; N1480-K1482 VanDerWaalsContact C-N 3.3Å; N1480-K1482 PolarHBondContact O-N 3.2Å; N1480-L1483 WeakPolarHBondContact O-CB 3.43Å; N1480-L1483 PolarHBondContact O-N 3.28Å; N1480-L1483 VanDerWaalsContact O-N 3.12Å; N1480-M1484 WeakPolarHBondContact O-CB 3.32Å; N1480-M1484 VanDerWaalsContact O-CG 3.31Å; N1480-M1484 WeakPolarHBondContact O-CG 3.36Å; N1480-M1484 PolarHBondContact O-N 3.15Å
1481R87.8Confident87.4Confident124.2 Ų124.280.6 Ų80.647%0.46942%0.418SS..Hα-helixtrans-61.8-41174.9-179175.8173.2179.70.1112Y1477 I1479 M1484 L1485 E2292Y1477-R1481 HydrophobicContact CE1-CB 4.49Å; Y1477-R1481 VanDerWaalsContact O-CB 3.28Å; Y1477-R1481 WeakPolarHBondContact O-CB 3.35Å; Y1477-R1481 PolarHBondContact O-N 3.16Å; Y1477-R1481 PolarHBondContact OH-NH1 2.88Å; I1479-R1481 VanDerWaalsContact C-N 3.34Å; I1479-R1481 PolarHBondContact O-N 3.08Å; R1481-M1484 PolarHBondContact O-N 2.84Å; R1481-L1485 HydrophobicContact CG-CD1 4.3Å; R1481-L1485 WeakPolarHBondContact O-CB 3.35Å; R1481-L1485 VanDerWaalsContact O-CG 3.29Å; R1481-L1485 WeakPolarHBondContact O-CG 3.4Å; R1481-L1485 PolarHBondContact O-N 3.18Å; R1481-L1485 VanDerWaalsContact O-N 3.13Å; R1481-E2292 IonicContact CZ-OE1 2.84Å; R1481-E2292 VanDerWaalsContact CZ-OE1 3.24Å; R1481-E2292 IonicContact CZ-OE2 2.71Å; R1481-E2292 IonicContact NH1-OE1 3.75Å; R1481-E2292 PolarHBondContact NH1-OE1 3.17Å; R1481-E2292 IonicContact NH1-OE2 3.73Å; R1481-E2292 PolarHBondContact NH1-OE2 2.9Å; R1481-E2292 IonicContact NH2-OE1 2.9Å; R1481-E2292 PolarHBondContact NH2-OE1 3.39Å; R1481-E2292 IonicContact NH2-OE2 3.66Å
1482K84.7Confident87.6Confident119.8 Ų119.882.3 Ų82.352%0.52143%0.428SS..Hα-helixtrans-65.8-41175.3-170.5-162.2175.1-166.30111.5L1478 I1479 N1480 L1485 A1486 I2249L1478-K1482 WeakPolarHBondContact O-CB 3.26Å; L1478-K1482 PolarHBondContact O-N 3.14Å; I1479-K1482 PolarHBondContact O-N 3.18Å; I1479-K1482 VanDerWaalsContact O-N 3.13Å; N1480-K1482 VanDerWaalsContact C-N 3.3Å; N1480-K1482 PolarHBondContact O-N 3.2Å; K1482-L1485 WeakPolarHBondContact O-CB 3.39Å; K1482-L1485 PolarHBondContact O-N 3.31Å; K1482-A1486 PolarHBondContact O-N 3.2Å; K1482-A1486 VanDerWaalsContact O-N 3.14Å; K1482-I2249 HydrophobicContact CB-CD1 4.48Å; K1482-I2249 HydrophobicContact CD-CD1 4.14Å; K1482-I2249 HydrophobicContact CG-CD1 4.48Å
1483L87.5Confident87.8Confident78.8 Ų78.885.1 Ų85.141%0.41343%0.431SS..Hα-helixtrans-63.6-46.9177.5-179.260.1000111.5I1479 N1480 L1485 A1486 I1487 M1922I1479-L1483 WeakPolarHBondContact O-CB 3.34Å; I1479-L1483 PolarHBondContact O-N 3.06Å; N1480-L1483 WeakPolarHBondContact O-CB 3.43Å; N1480-L1483 PolarHBondContact O-N 3.28Å; N1480-L1483 VanDerWaalsContact O-N 3.12Å; L1483-L1485 VanDerWaalsContact C-N 3.31Å; L1483-L1485 PolarHBondContact O-N 3.18Å; L1483-A1486 PolarHBondContact O-N 3.18Å; L1483-A1486 VanDerWaalsContact O-N 3.13Å; L1483-I1487 HydrophobicContact CD1-CD1 4.04Å; L1483-I1487 HydrophobicContact CD1-CG1 4.38Å; L1483-I1487 HydrophobicContact CG-CD1 3.89Å; L1483-I1487 VanDerWaalsContact O-CG1 3.3Å; L1483-I1487 WeakPolarHBondContact O-CG1 3.38Å; L1483-I1487 PolarHBondContact O-N 3.16Å; L1483-M1922 HydrophobicContact CD2-CE 3.77Å; L1483-M1922 HydrophobicContact CD2-SD 3.56Å; L1483-M1922 VanDerWaalsContact CD2-SD 3.56Å
1484M86.4Confident87.9Confident88.4 Ų88.486.6 Ų86.644%0.43543%0.431SS..Hα-helixtrans-62.6-36.3176.1-69.7-57.3-62.300112.8N1480 R1481 A1486 I1487 H1488 I1622 E1923N1480-M1484 WeakPolarHBondContact O-CB 3.32Å; N1480-M1484 VanDerWaalsContact O-CG 3.31Å; N1480-M1484 WeakPolarHBondContact O-CG 3.36Å; N1480-M1484 PolarHBondContact O-N 3.15Å; R1481-M1484 PolarHBondContact O-N 2.84Å; M1484-A1486 VanDerWaalsContact C-N 3.32Å; M1484-A1486 PolarHBondContact O-N 3.06Å; M1484-I1487 PolarHBondContact O-N 2.72Å; M1484-I1487 HydrophobicContact SD-CD1 4.33Å; M1484-H1488 VanDerWaalsContact O-CB 3.3Å; M1484-H1488 WeakPolarHBondContact O-CB 3.43Å; M1484-H1488 PolarHBondContact O-N 2.93Å; M1484-I1622 HydrophobicContact CE-CG2 4.39Å; M1484-E1923 HydrophobicContact CE-CG 4.32Å; M1484-E1923 HydrophobicContact SD-CG 4.45Å
1485L90.7Very high88.1Confident102 Ų10288.3 Ų88.353%0.53444%0.443SS..Hα-helixtrans-65.1-43.9173.8-75168.4000111.8R1481 K1482 L1483 I1487 H1488 E1489R1481-L1485 HydrophobicContact CG-CD1 4.3Å; R1481-L1485 WeakPolarHBondContact O-CB 3.35Å; R1481-L1485 VanDerWaalsContact O-CG 3.29Å; R1481-L1485 WeakPolarHBondContact O-CG 3.4Å; R1481-L1485 PolarHBondContact O-N 3.18Å; R1481-L1485 VanDerWaalsContact O-N 3.13Å; K1482-L1485 WeakPolarHBondContact O-CB 3.39Å; K1482-L1485 PolarHBondContact O-N 3.31Å; L1483-L1485 VanDerWaalsContact C-N 3.31Å; L1483-L1485 PolarHBondContact O-N 3.18Å; L1485-I1487 PolarHBondContact O-N 3.33Å; L1485-H1488 PolarHBondContact O-N 3.05Å; L1485-E1489 VanDerWaalsContact O-CB 3.22Å; L1485-E1489 WeakPolarHBondContact O-CB 3.35Å; L1485-E1489 PolarHBondContact O-N 3.14Å
1486A88.7Confident88.2Confident48.6 Ų48.694.2 Ų94.240%0.40246%0.46SS..Hα-helixtrans-65.8-39.217700000112.6K1482 L1483 M1484 H1488 E1489 Q1490K1482-A1486 PolarHBondContact O-N 3.2Å; K1482-A1486 VanDerWaalsContact O-N 3.14Å; L1483-A1486 PolarHBondContact O-N 3.18Å; L1483-A1486 VanDerWaalsContact O-N 3.13Å; M1484-A1486 VanDerWaalsContact C-N 3.32Å; M1484-A1486 PolarHBondContact O-N 3.06Å; A1486-H1488 VanDerWaalsContact C-N 3.34Å; A1486-E1489 PolarHBondContact O-N 3.08Å; A1486-Q1490 WeakPolarHBondContact O-CB 3.4Å; A1486-Q1490 PolarHBondContact O-N 3.13Å
1487I87.7Confident88.2Confident72.6 Ų72.696.4 Ų96.437%0.37247%0.465SS..Hα-helixtrans-65-40.5174.4-68.3166.8000110.8L1483 M1484 L1485 Q1490 A1491L1483-I1487 HydrophobicContact CD1-CD1 4.04Å; L1483-I1487 HydrophobicContact CD1-CG1 4.38Å; L1483-I1487 HydrophobicContact CG-CD1 3.89Å; L1483-I1487 VanDerWaalsContact O-CG1 3.3Å; L1483-I1487 WeakPolarHBondContact O-CG1 3.38Å; L1483-I1487 PolarHBondContact O-N 3.16Å; M1484-I1487 PolarHBondContact O-N 2.72Å; M1484-I1487 HydrophobicContact SD-CD1 4.33Å; L1485-I1487 PolarHBondContact O-N 3.33Å; I1487-Q1490 PolarHBondContact O-N 3.05Å; I1487-A1491 VanDerWaalsContact O-CB 3.26Å; I1487-A1491 WeakPolarHBondContact O-CB 3.37Å; I1487-A1491 PolarHBondContact O-N 3.07Å
1488H90.5Very high88.4Confident112.4 Ų112.496.4 Ų96.452%0.5247%0.472SS..Hα-helixtrans-68.7-39.8177.1-177.150000112.3M1484 L1485 A1486 A1491 M1492M1484-H1488 VanDerWaalsContact O-CB 3.3Å; M1484-H1488 WeakPolarHBondContact O-CB 3.43Å; M1484-H1488 PolarHBondContact O-N 2.93Å; L1485-H1488 PolarHBondContact O-N 3.05Å; A1486-H1488 VanDerWaalsContact C-N 3.34Å; H1488-A1491 PolarHBondContact O-N 3.21Å; H1488-M1492 WeakPolarHBondContact O-CB 3.48Å; H1488-M1492 VanDerWaalsContact O-CG 3.28Å; H1488-M1492 WeakPolarHBondContact O-CG 3.32Å; H1488-M1492 PolarHBondContact O-N 3.21Å
1489E89.7Confident88.6Confident123.8 Ų123.895.6 Ų95.658%0.57948%0.476SS*.Hα-helixtrans-59-50.6173.8-173.9164.3-158.100110.8L1485 A1486 A1491 M1492 E1493 R1694L1485-E1489 VanDerWaalsContact O-CB 3.22Å; L1485-E1489 WeakPolarHBondContact O-CB 3.35Å; L1485-E1489 PolarHBondContact O-N 3.14Å; A1486-E1489 PolarHBondContact O-N 3.08Å; E1489-A1491 VanDerWaalsContact C-N 3.33Å; E1489-A1491 PolarHBondContact O-N 3.05Å; E1489-M1492 WeakPolarHBondContact O-CB 3.47Å; E1489-M1492 PolarHBondContact O-N 3.16Å; E1489-E1493 PolarHBondContact O-N 2.97Å; E1489-E1493 VanDerWaalsContact O-N 3.11Å; E1489-R1694 VanDerWaalsContact CD-NE 3.25Å; E1489-R1694 IonicContact OE1-CZ 3.69Å; E1489-R1694 IonicContact OE1-NE 2.83Å; E1489-R1694 PolarHBondContact OE1-NE 3.1Å; E1489-R1694 IonicContact OE1-NH2 2.77Å; E1489-R1694 PolarHBondContact OE1-NH2 3.45Å; E1489-R1694 IonicContact OE2-CZ 3.32Å; E1489-R1694 IonicContact OE2-NE 3.68Å; E1489-R1694 IonicContact OE2-NH2 3.73Å; E1489-R1694 PolarHBondContact OE2-NH2 3.01Å
1490Q87.3Confident88.6Confident110.6 Ų110.694.8 Ų94.852%0.51747%0.468SS..Hα-helixtrans-60.2-44.5174.5-174.4-175.4-31.100112.3A1486 I1487 M1492 E1493 E1494A1486-Q1490 WeakPolarHBondContact O-CB 3.4Å; A1486-Q1490 PolarHBondContact O-N 3.13Å; I1487-Q1490 PolarHBondContact O-N 3.05Å; Q1490-M1492 VanDerWaalsContact C-N 3.28Å; Q1490-M1492 PolarHBondContact O-N 3.13Å; Q1490-E1493 PolarHBondContact O-N 3.18Å; Q1490-E1493 VanDerWaalsContact O-N 3.15Å; Q1490-E1494 HydrophobicContact CG-CG 4.46Å; Q1490-E1494 WeakPolarHBondContact CG-OE1 3.36Å; Q1490-E1494 PolarHBondContact NE2-OE1 3.26Å; Q1490-E1494 WeakPolarHBondContact O-CB 3.14Å; Q1490-E1494 WeakPolarHBondContact O-CG 3.36Å; Q1490-E1494 PolarHBondContact O-N 3.04Å
1491A90.8Very high88.7Confident31 Ų3194.8 Ų94.826%0.25647%0.471SS..Hα-helixtrans-64.5-30.7178.800000113I1487 H1488 E1489 Q1495I1487-A1491 VanDerWaalsContact O-CB 3.26Å; I1487-A1491 WeakPolarHBondContact O-CB 3.37Å; I1487-A1491 PolarHBondContact O-N 3.07Å; H1488-A1491 PolarHBondContact O-N 3.21Å; E1489-A1491 VanDerWaalsContact C-N 3.33Å; E1489-A1491 PolarHBondContact O-N 3.05Å; A1491-Q1495 WeakPolarHBondContact O-CB 3.31Å; A1491-Q1495 VanDerWaalsContact O-CG 3.28Å; A1491-Q1495 WeakPolarHBondContact O-CG 3.44Å; A1491-Q1495 PolarHBondContact O-N 3.07Å; A1491-Q1495 VanDerWaalsContact O-N 3.14Å; A1491-Q1495 PolarHBondContact O-NE2 2.78Å
1492M91.5Very high88.7Confident97.8 Ų97.894.7 Ų94.748%0.48248%0.476SS..Hα-helixtrans-73.2-38.1173.3-72.5-62.8-59.400112H1488 E1489 Q1490 Q1495 Y1496H1488-M1492 WeakPolarHBondContact O-CB 3.48Å; H1488-M1492 VanDerWaalsContact O-CG 3.28Å; H1488-M1492 WeakPolarHBondContact O-CG 3.32Å; H1488-M1492 PolarHBondContact O-N 3.21Å; E1489-M1492 WeakPolarHBondContact O-CB 3.47Å; E1489-M1492 PolarHBondContact O-N 3.16Å; Q1490-M1492 VanDerWaalsContact C-N 3.28Å; Q1490-M1492 PolarHBondContact O-N 3.13Å; M1492-Q1495 PolarHBondContact O-N 3.21Å; M1492-Y1496 WeakPolarHBondContact O-CB 3.3Å; M1492-Y1496 PolarHBondContact O-N 3.3Å
1493E90Very high88.8Confident113 Ų11393.6 Ų93.653%0.52847%0.473SS..Hα-helixtrans-64.5-43.7171.6-69.4-173.2158.300111.5E1489 Q1490 Q1495 Y1496 N1497 R1694E1489-E1493 PolarHBondContact O-N 2.97Å; E1489-E1493 VanDerWaalsContact O-N 3.11Å; Q1490-E1493 PolarHBondContact O-N 3.18Å; Q1490-E1493 VanDerWaalsContact O-N 3.15Å; E1493-Q1495 VanDerWaalsContact C-N 3.33Å; E1493-Q1495 PolarHBondContact O-N 2.94Å; E1493-Y1496 PolarHBondContact O-N 3.13Å; E1493-N1497 WeakPolarHBondContact O-CB 3.38Å; E1493-N1497 VanDerWaalsContact O-CG 3.26Å; E1493-N1497 PolarHBondContact O-N 3.21Å; E1493-N1497 PolarHBondContact O-ND2 2.98Å; E1493-N1497 VanDerWaalsContact O-ND2 3.08Å; E1493-R1694 WeakPolarHBondContact OE1-CD 3.34Å; E1493-R1694 IonicContact OE1-CZ 3.54Å; E1493-R1694 IonicContact OE1-NE 3.7Å; E1493-R1694 IonicContact OE1-NH1 2.96Å; E1493-R1694 PolarHBondContact OE1-NH1 3.47Å
1494E86.3Confident88.7Confident98.4 Ų98.495 Ų9546%0.4648%0.476SS..Hα-helixtrans-60.3-45.2174.3-74.2175.1-165.400111.6Q1490 N1497 L1498Q1490-E1494 HydrophobicContact CG-CG 4.46Å; Q1490-E1494 WeakPolarHBondContact CG-OE1 3.36Å; Q1490-E1494 PolarHBondContact NE2-OE1 3.26Å; Q1490-E1494 WeakPolarHBondContact O-CB 3.14Å; Q1490-E1494 WeakPolarHBondContact O-CG 3.36Å; Q1490-E1494 PolarHBondContact O-N 3.04Å; E1494-N1497 PolarHBondContact O-N 3.13Å; E1494-L1498 VanDerWaalsContact O-CB 3.31Å; E1494-L1498 WeakPolarHBondContact O-CB 3.42Å; E1494-L1498 VanDerWaalsContact O-CG 3.27Å; E1494-L1498 WeakPolarHBondContact O-CG 3.37Å; E1494-L1498 PolarHBondContact O-N 3.18Å
1495Q89.9Confident88.8Confident121 Ų12195.7 Ų95.757%0.56548%0.48SS*.Hα-helixtrans-64.1-41.5175.5-77.2178.425.700112.9A1491 M1492 E1493 N1497 L1498 A1499A1491-Q1495 WeakPolarHBondContact O-CB 3.31Å; A1491-Q1495 VanDerWaalsContact O-CG 3.28Å; A1491-Q1495 WeakPolarHBondContact O-CG 3.44Å; A1491-Q1495 PolarHBondContact O-N 3.07Å; A1491-Q1495 VanDerWaalsContact O-N 3.14Å; A1491-Q1495 PolarHBondContact O-NE2 2.78Å; M1492-Q1495 PolarHBondContact O-N 3.21Å; E1493-Q1495 VanDerWaalsContact C-N 3.33Å; E1493-Q1495 PolarHBondContact O-N 2.94Å; Q1495-N1497 VanDerWaalsContact C-N 3.35Å; Q1495-N1497 PolarHBondContact O-N 2.62Å; Q1495-L1498 PolarHBondContact O-N 3.18Å; Q1495-A1499 WeakPolarHBondContact O-CB 3.42Å; Q1495-A1499 PolarHBondContact O-N 3.17Å
1496Y90.4Very high88.6Confident144.4 Ų144.495.1 Ų95.157%0.56648%0.478SS*.Hα-helixtrans-63.3-43.5175.8176-102.8000111.7M1492 E1493 A1499 K1500M1492-Y1496 WeakPolarHBondContact O-CB 3.3Å; M1492-Y1496 PolarHBondContact O-N 3.3Å; E1493-Y1496 PolarHBondContact O-N 3.13Å; Y1496-A1499 PolarHBondContact O-N 3.3Å; Y1496-K1500 WeakPolarHBondContact O-CB 3.34Å; Y1496-K1500 PolarHBondContact O-N 3.05Å
1497N87.3Confident88.4Confident87.4 Ų87.495.7 Ų95.747%0.46747%0.474SS..Hα-helixtrans-64.8-41.9175.9-72.7-38.8000111.8E1493 E1494 Q1495 K1500 V1501E1493-N1497 WeakPolarHBondContact O-CB 3.38Å; E1493-N1497 VanDerWaalsContact O-CG 3.26Å; E1493-N1497 PolarHBondContact O-N 3.21Å; E1493-N1497 PolarHBondContact O-ND2 2.98Å; E1493-N1497 VanDerWaalsContact O-ND2 3.08Å; E1494-N1497 PolarHBondContact O-N 3.13Å; Q1495-N1497 VanDerWaalsContact C-N 3.35Å; Q1495-N1497 PolarHBondContact O-N 2.62Å; N1497-K1500 PolarHBondContact O-N 2.99Å; N1497-V1501 WeakPolarHBondContact O-CB 3.38Å; N1497-V1501 VanDerWaalsContact O-CG2 3.31Å; N1497-V1501 WeakPolarHBondContact O-CG2 3.29Å; N1497-V1501 PolarHBondContact O-N 3.16Å
1498L89.3Confident88.1Confident107 Ų10796.4 Ų96.456%0.5648%0.478SS*.Hα-helixtrans-63.8-42.1174.9-74.6169.4000112.3E1494 Q1495 K1500 V1501 Q1502E1494-L1498 VanDerWaalsContact O-CB 3.31Å; E1494-L1498 WeakPolarHBondContact O-CB 3.42Å; E1494-L1498 VanDerWaalsContact O-CG 3.27Å; E1494-L1498 WeakPolarHBondContact O-CG 3.37Å; E1494-L1498 PolarHBondContact O-N 3.18Å; Q1495-L1498 PolarHBondContact O-N 3.18Å; L1498-K1500 VanDerWaalsContact C-N 3.34Å; L1498-K1500 PolarHBondContact O-N 3.41Å; L1498-V1501 PolarHBondContact O-N 3.07Å; L1498-V1501 VanDerWaalsContact O-N 3.16Å; L1498-Q1502 WeakPolarHBondContact O-CB 3.34Å; L1498-Q1502 WeakPolarHBondContact O-CG 3.35Å; L1498-Q1502 PolarHBondContact O-N 3.09Å
1499A89.6Confident87.8Confident50.6 Ų50.695.9 Ų95.942%0.41848%0.475SS..Hα-helixtrans-63.4-41.7175.400000111.8Q1495 Y1496 V1501 Q1502 Q1503Q1495-A1499 WeakPolarHBondContact O-CB 3.42Å; Q1495-A1499 PolarHBondContact O-N 3.17Å; Y1496-A1499 PolarHBondContact O-N 3.3Å; A1499-V1501 VanDerWaalsContact C-N 3.33Å; A1499-V1501 PolarHBondContact O-N 3.05Å; A1499-Q1502 PolarHBondContact O-N 3.11Å; A1499-Q1503 WeakPolarHBondContact O-CB 3.32Å; A1499-Q1503 PolarHBondContact O-N 3.22Å
1500K87.6Confident87.5Confident77.4 Ų77.496.3 Ų96.334%0.33748%0.477SS..Hα-helixtrans-63.4-37174.3-172.4174-179.1177.90112.2Y1496 N1497 L1498 K1504Y1496-K1500 WeakPolarHBondContact O-CB 3.34Å; Y1496-K1500 PolarHBondContact O-N 3.05Å; N1497-K1500 PolarHBondContact O-N 2.99Å; L1498-K1500 VanDerWaalsContact C-N 3.34Å; L1498-K1500 PolarHBondContact O-N 3.41Å; K1500-K1504 WeakPolarHBondContact O-CG 3.4Å; K1500-K1504 PolarHBondContact O-N 3.15Å; K1500-K1504 VanDerWaalsContact O-N 3.15Å
1501V88.5Confident87Confident82.4 Ų82.495.7 Ų95.750%0.49947%0.471SS..Hα-helixtrans-68.6-44173.2168.50000111.3N1497 L1498 A1499 Q1503 K1504 L1505N1497-V1501 WeakPolarHBondContact O-CB 3.38Å; N1497-V1501 VanDerWaalsContact O-CG2 3.31Å; N1497-V1501 WeakPolarHBondContact O-CG2 3.29Å; N1497-V1501 PolarHBondContact O-N 3.16Å; L1498-V1501 PolarHBondContact O-N 3.07Å; L1498-V1501 VanDerWaalsContact O-N 3.16Å; A1499-V1501 VanDerWaalsContact C-N 3.33Å; A1499-V1501 PolarHBondContact O-N 3.05Å; V1501-Q1503 PolarHBondContact O-N 3.24Å; V1501-K1504 PolarHBondContact O-N 3.28Å; V1501-L1505 HydrophobicContact CG1-CD1 3.92Å; V1501-L1505 HydrophobicContact CG1-CG 4.35Å; V1501-L1505 WeakPolarHBondContact O-CB 3.22Å; V1501-L1505 VanDerWaalsContact O-CG 3.29Å; V1501-L1505 WeakPolarHBondContact O-CG 3.43Å; V1501-L1505 PolarHBondContact O-N 3.22Å
1502Q87.7Confident86.3Confident121.8 Ų121.8100.6 Ų100.657%0.56949%0.488SS*.Hα-helixtrans-61.8-42175.7-75.6177.4-15.500112.2L1498 A1499 K1504 L1505 N1506L1498-Q1502 WeakPolarHBondContact O-CB 3.34Å; L1498-Q1502 WeakPolarHBondContact O-CG 3.35Å; L1498-Q1502 PolarHBondContact O-N 3.09Å; A1499-Q1502 PolarHBondContact O-N 3.11Å; Q1502-K1504 VanDerWaalsContact C-N 3.32Å; Q1502-K1504 PolarHBondContact O-N 2.99Å; Q1502-L1505 PolarHBondContact O-N 3.12Å; Q1502-N1506 WeakPolarHBondContact O-CB 3.29Å; Q1502-N1506 VanDerWaalsContact O-CG 3.24Å; Q1502-N1506 PolarHBondContact O-N 3.17Å; Q1502-N1506 PolarHBondContact O-ND2 3.3Å; Q1502-N1506 PolarHBondContact O-OD1 3.25Å
1503Q86.9Confident85.7Confident95.6 Ų95.6101.4 Ų101.445%0.44749%0.49SS..Hα-helixtrans-61.8-43.6175.5-172.71772.300111.5A1499 V1501 N1506 L1507 F1547A1499-Q1503 WeakPolarHBondContact O-CB 3.32Å; A1499-Q1503 PolarHBondContact O-N 3.22Å; V1501-Q1503 PolarHBondContact O-N 3.24Å; Q1503-N1506 PolarHBondContact O-N 3.31Å; Q1503-L1507 WeakPolarHBondContact O-CB 3.36Å; Q1503-L1507 PolarHBondContact O-N 3.1Å; Q1503-F1547 VanDerWaalsContact CD-CE1 3.48Å; Q1503-F1547 HydrophobicContact CG-CE1 4.13Å; Q1503-F1547 HydrophobicContact CG-CZ 4.28Å; Q1503-F1547 VanDerWaalsContact NE2-CZ 3.25Å; Q1503-F1547 VanDerWaalsContact OE1-CE1 3.31Å
1504K86.8Confident85Confident109 Ų10999.3 Ų99.347%0.47449%0.492SS..Hα-helixtrans-65.5-39174.8-75.8-163.8172.1-142.50112.8K1500 V1501 Q1502 L1507 I1508 D1545 F1547K1500-K1504 WeakPolarHBondContact O-CG 3.4Å; K1500-K1504 PolarHBondContact O-N 3.15Å; K1500-K1504 VanDerWaalsContact O-N 3.15Å; V1501-K1504 PolarHBondContact O-N 3.28Å; Q1502-K1504 VanDerWaalsContact C-N 3.32Å; Q1502-K1504 PolarHBondContact O-N 2.99Å; K1504-L1507 PolarHBondContact O-N 2.99Å; K1504-I1508 WeakPolarHBondContact O-CB 3.25Å; K1504-I1508 WeakPolarHBondContact O-CD1 3.32Å; K1504-I1508 VanDerWaalsContact O-CG1 3.23Å; K1504-I1508 WeakPolarHBondContact O-CG1 3.34Å; K1504-I1508 PolarHBondContact O-N 3.24Å; K1504-D1545 IonicContact NZ-OD1 2.76Å; K1504-D1545 PolarHBondContact NZ-OD1 2.88Å; K1504-F1547 HydrophobicContact CG-CE1 4.4Å
1505L86.7Confident84.2Confident102.6 Ų102.697.2 Ų97.254%0.53748%0.482SS..Hα-helixtrans-63.4-44.5175.1-75.1169.2000111.9V1501 Q1502 L1507 I1508 Q1509V1501-L1505 HydrophobicContact CG1-CD1 3.92Å; V1501-L1505 HydrophobicContact CG1-CG 4.35Å; V1501-L1505 WeakPolarHBondContact O-CB 3.22Å; V1501-L1505 VanDerWaalsContact O-CG 3.29Å; V1501-L1505 WeakPolarHBondContact O-CG 3.43Å; V1501-L1505 PolarHBondContact O-N 3.22Å; Q1502-L1505 PolarHBondContact O-N 3.12Å; L1505-L1507 PolarHBondContact O-N 3.05Å; L1505-I1508 PolarHBondContact O-N 3.08Å; L1505-Q1509 WeakPolarHBondContact O-CB 3.31Å; L1505-Q1509 PolarHBondContact O-N 3.06Å
1506N87.2Confident83Confident89.6 Ų89.692.7 Ų92.748%0.47947%0.468SS..Hα-helixtrans-64.3-39.6177.1-70.4-7.8000112Q1502 Q1503 Q1509 Q1510Q1502-N1506 WeakPolarHBondContact O-CB 3.29Å; Q1502-N1506 VanDerWaalsContact O-CG 3.24Å; Q1502-N1506 PolarHBondContact O-N 3.17Å; Q1502-N1506 PolarHBondContact O-ND2 3.3Å; Q1502-N1506 PolarHBondContact O-OD1 3.25Å; Q1503-N1506 PolarHBondContact O-N 3.31Å; N1506-Q1509 PolarHBondContact O-N 3.06Å; N1506-Q1510 WeakPolarHBondContact O-CB 3.41Å; N1506-Q1510 VanDerWaalsContact O-CG 3.31Å; N1506-Q1510 WeakPolarHBondContact O-CG 3.39Å; N1506-Q1510 PolarHBondContact O-N 3.31Å
1507L84.6Confident81.6Confident60.8 Ų60.896.4 Ų96.432%0.31848%0.481SS..Hα-helixtrans-65.2-44.3175.8-169.3158.8000111.1Q1503 K1504 L1505 Q1509 Q1510 R1511 V1548Q1503-L1507 WeakPolarHBondContact O-CB 3.36Å; Q1503-L1507 PolarHBondContact O-N 3.1Å; K1504-L1507 PolarHBondContact O-N 2.99Å; L1505-L1507 PolarHBondContact O-N 3.05Å; L1507-Q1509 VanDerWaalsContact C-N 3.33Å; L1507-Q1509 PolarHBondContact O-N 2.97Å; L1507-Q1510 PolarHBondContact O-N 3.17Å; L1507-R1511 WeakPolarHBondContact O-CB 3.39Å; L1507-R1511 PolarHBondContact O-N 3.08Å; L1507-V1548 HydrophobicContact CD1-CG2 4.31Å
1508I81.4Confident80.4Confident87.6 Ų87.695.4 Ų95.445%0.44948%0.481SS..Hα-helixtrans-60.7-42173.7-69.3163.5000110.9K1504 L1505 R1511 Q1512K1504-I1508 WeakPolarHBondContact O-CB 3.25Å; K1504-I1508 WeakPolarHBondContact O-CD1 3.32Å; K1504-I1508 VanDerWaalsContact O-CG1 3.23Å; K1504-I1508 WeakPolarHBondContact O-CG1 3.34Å; K1504-I1508 PolarHBondContact O-N 3.24Å; L1505-I1508 PolarHBondContact O-N 3.08Å; I1508-R1511 PolarHBondContact O-N 3.09Å; I1508-Q1512 HydrophobicContact CG2-CG 4.47Å; I1508-Q1512 WeakPolarHBondContact O-CB 3.18Å; I1508-Q1512 WeakPolarHBondContact O-CG 3.34Å; I1508-Q1512 PolarHBondContact O-N 3.12Å
1509Q84.6Confident79.1Confident101.8 Ų101.892.3 Ų92.348%0.47647%0.465SS..Hα-helixtrans-64-46.9176.3-178.4178.3-24.300111.6L1505 N1506 L1507 R1511 Q1512 E1513L1505-Q1509 WeakPolarHBondContact O-CB 3.31Å; L1505-Q1509 PolarHBondContact O-N 3.06Å; N1506-Q1509 PolarHBondContact O-N 3.06Å; L1507-Q1509 VanDerWaalsContact C-N 3.33Å; L1507-Q1509 PolarHBondContact O-N 2.97Å; Q1509-R1511 VanDerWaalsContact C-N 3.3Å; Q1509-R1511 PolarHBondContact O-N 3.29Å; Q1509-Q1512 CarbonylContact O-C 3.57Å; Q1509-Q1512 WeakPolarHBondContact O-CA 3.3Å; Q1509-Q1512 WeakPolarHBondContact O-CB 3.27Å; Q1509-Q1512 PolarHBondContact O-N 3.2Å; Q1509-Q1512 VanDerWaalsContact O-N 3.11Å; Q1509-E1513 HydrophobicContact CG-CG 4.39Å; Q1509-E1513 WeakPolarHBondContact CG-OE1 3.4Å; Q1509-E1513 PolarHBondContact NE2-OE1 2.99Å; Q1509-E1513 WeakPolarHBondContact O-CB 3.13Å; Q1509-E1513 WeakPolarHBondContact O-CG 3.37Å; Q1509-E1513 PolarHBondContact O-N 3Å
1510Q82.5Confident77.8Confident133 Ų13393.8 Ų93.862%0.62148%0.478SS*.Hα-helixtrans-60.1-40.2176.8-75.5175.9-15.600111.9N1506 L1507 Q1512 E1513 A1514N1506-Q1510 WeakPolarHBondContact O-CB 3.41Å; N1506-Q1510 VanDerWaalsContact O-CG 3.31Å; N1506-Q1510 WeakPolarHBondContact O-CG 3.39Å; N1506-Q1510 PolarHBondContact O-N 3.31Å; L1507-Q1510 PolarHBondContact O-N 3.17Å; Q1510-Q1512 VanDerWaalsContact C-N 3.34Å; Q1510-Q1512 PolarHBondContact O-N 3.24Å; Q1510-E1513 PolarHBondContact O-N 3.11Å; Q1510-A1514 WeakPolarHBondContact O-CB 3.38Å; Q1510-A1514 PolarHBondContact O-N 3.11Å
1511R77.2Confident76.7Confident98.4 Ų98.497.5 Ų97.537%0.37150%0.501SS..Hα-helixtrans-63.3-42.2173.8-160.1172.1-146.7158.91.4111.5L1507 I1508 Q1509 E1513 A1514 F1515 D1544L1507-R1511 WeakPolarHBondContact O-CB 3.39Å; L1507-R1511 PolarHBondContact O-N 3.08Å; I1508-R1511 PolarHBondContact O-N 3.09Å; Q1509-R1511 VanDerWaalsContact C-N 3.3Å; Q1509-R1511 PolarHBondContact O-N 3.29Å; R1511-E1513 VanDerWaalsContact C-N 3.34Å; R1511-E1513 PolarHBondContact O-N 2.72Å; R1511-A1514 PolarHBondContact O-N 3.25Å; R1511-F1515 HydrophobicContact CG-CD2 3.89Å; R1511-F1515 HydrophobicContact CG-CE2 3.63Å; R1511-F1515 VanDerWaalsContact CG-CE2 3.47Å; R1511-F1515 VanDerWaalsContact O-CD2 3.24Å; R1511-F1515 WeakPolarHBondContact O-CD2 3.41Å; R1511-F1515 PolarHBondContact O-N 2.93Å; R1511-F1515 VanDerWaalsContact O-N 3.11Å; R1511-D1544 IonicContact CZ-OD1 3.25Å; R1511-D1544 IonicContact CZ-OD2 2.99Å; R1511-D1544 VanDerWaalsContact NH1-CG 3.3Å; R1511-D1544 IonicContact NH1-OD1 3.27Å; R1511-D1544 PolarHBondContact NH1-OD1 3.27Å; R1511-D1544 IonicContact NH1-OD2 3.09Å; R1511-D1544 PolarHBondContact NH1-OD2 3.06Å; R1511-D1544 IonicContact NH2-OD1 3.49Å; R1511-D1544 IonicContact NH2-OD2 3.08Å; R1511-D1544 PolarHBondContact NH2-OD2 3.17Å
1512Q75.8Confident75.6Confident134 Ų13495.9 Ų95.963%0.62649%0.489SS*.Hα-helixtrans-67.9-32.5174.4-74.4-179.8-2.500113.3I1508 Q1509 Q1510 G1516I1508-Q1512 HydrophobicContact CG2-CG 4.47Å; I1508-Q1512 WeakPolarHBondContact O-CB 3.18Å; I1508-Q1512 WeakPolarHBondContact O-CG 3.34Å; I1508-Q1512 PolarHBondContact O-N 3.12Å; Q1509-Q1512 CarbonylContact O-C 3.57Å; Q1509-Q1512 WeakPolarHBondContact O-CA 3.3Å; Q1509-Q1512 WeakPolarHBondContact O-CB 3.27Å; Q1509-Q1512 PolarHBondContact O-N 3.2Å; Q1509-Q1512 VanDerWaalsContact O-N 3.11Å; Q1510-Q1512 VanDerWaalsContact C-N 3.34Å; Q1510-Q1512 PolarHBondContact O-N 3.24Å; Q1512-G1516 VanDerWaalsContact O-CA 3.25Å; Q1512-G1516 WeakPolarHBondContact O-CA 3.32Å; Q1512-G1516 PolarHBondContact O-N 3.18Å
1513E79.4Confident75.1Confident113.2 Ų113.296.7 Ų96.753%0.52950%0.502SS..Hα-helixtrans-73.9-35.9175.2-74.7176.7-165.900112.3Q1509 Q1510 R1511 R1517Q1509-E1513 HydrophobicContact CG-CG 4.39Å; Q1509-E1513 WeakPolarHBondContact CG-OE1 3.4Å; Q1509-E1513 PolarHBondContact NE2-OE1 2.99Å; Q1509-E1513 WeakPolarHBondContact O-CB 3.13Å; Q1509-E1513 WeakPolarHBondContact O-CG 3.37Å; Q1509-E1513 PolarHBondContact O-N 3Å; Q1510-E1513 PolarHBondContact O-N 3.11Å; R1511-E1513 VanDerWaalsContact C-N 3.34Å; R1511-E1513 PolarHBondContact O-N 2.72Å; E1513-R1517 PolarHBondContact O-N 2.92Å
1514A74.9Confident74.7Confident68.8 Ų68.897.2 Ų97.257%0.56951%0.505SS*.Hα-helixtrans-64.4-55.3174.600000111.6Q1510 R1511Q1510-A1514 WeakPolarHBondContact O-CB 3.38Å; Q1510-A1514 PolarHBondContact O-N 3.11Å; R1511-A1514 PolarHBondContact O-N 3.25Å
1515F69.2Low74.4Confident55.8 Ų55.897.8 Ų97.825%0.24551%0.509CS..Hα-helixtrans-74.6-29.9179-65.8-57.6000113.3R1511 R1517 S1518 Y1535 L1536R1511-F1515 HydrophobicContact CG-CD2 3.89Å; R1511-F1515 HydrophobicContact CG-CE2 3.63Å; R1511-F1515 VanDerWaalsContact CG-CE2 3.47Å; R1511-F1515 VanDerWaalsContact O-CD2 3.24Å; R1511-F1515 WeakPolarHBondContact O-CD2 3.41Å; R1511-F1515 PolarHBondContact O-N 2.93Å; R1511-F1515 VanDerWaalsContact O-N 3.11Å; F1515-R1517 PolarHBondContact O-N 3.13Å; F1515-R1517 VanDerWaalsContact O-N 3.08Å; F1515-S1518 PolarHBondContact O-N 3.23Å; F1515-S1518 PolarHBondContact O-OG 3.33Å; F1515-S1518 VanDerWaalsContact O-OG 3.09Å; F1515-Y1535 HydrophobicContact CD1-CD2 4.22Å; F1515-Y1535 HydrophobicContact CD1-CE2 4.4Å; F1515-Y1535 HydrophobicContact CE1-CD2 4.47Å; F1515-Y1535 VanDerWaalsContact CE1-O 3.27Å; F1515-Y1535 WeakPolarHBondContact CE1-O 3.36Å; F1515-L1536 HydrophobicContact CB-CD1 3.83Å; F1515-L1536 HydrophobicContact CD1-CD1 4.25Å; F1515-L1536 HydrophobicContact CD2-CD1 4.12Å; F1515-L1536 HydrophobicContact CD2-CG 4.5Å; F1515-L1536 HydrophobicContact CE2-CD1 4.32Å; F1515-L1536 HydrophobicContact CG-CD1 3.93Å; F1515-L1536 HydrophobicContact CG-CG 4.39Å
1516G65Low74.2Confident26.2 Ų26.299.7 Ų99.727%0.2751%0.51SS..Hα-helixtrans-65.7-14.4-176.300000114.9Q1512 S1518 N1519 A1520Q1512-G1516 VanDerWaalsContact O-CA 3.25Å; Q1512-G1516 WeakPolarHBondContact O-CA 3.32Å; Q1512-G1516 PolarHBondContact O-N 3.18Å; G1516-S1518 VanDerWaalsContact C-N 3.27Å; G1516-S1518 PolarHBondContact O-N 3.1Å; G1516-N1519 CarbonylContact O-C 3.57Å; G1516-N1519 PolarHBondContact O-N 3.16Å; G1516-N1519 VanDerWaalsContact O-N 3.12Å; G1516-A1520 PolarHBondContact O-N 3.11Å; G1516-A1520 VanDerWaalsContact O-N 3.12Å
1517R62.4Low73.7Confident220.6 Ų220.698.9 Ų98.983%0.83251%0.505SS*.Hα-helixtrans-60.4-28.7175.6-120.1-175.2-174.1101.1-0.9113.5E1513 F1515E1513-R1517 PolarHBondContact O-N 2.92Å; F1515-R1517 PolarHBondContact O-N 3.13Å; F1515-R1517 VanDerWaalsContact O-N 3.08Å
1518S60.2Low73.5Confident67.6 Ų67.6101.1 Ų101.147%0.47352%0.515SS..Hα-helixtrans-78-43.3171.3141.40000111.7F1515 G1516 A1520 Y1535F1515-S1518 PolarHBondContact O-N 3.23Å; F1515-S1518 PolarHBondContact O-OG 3.33Å; F1515-S1518 VanDerWaalsContact O-OG 3.09Å; G1516-S1518 VanDerWaalsContact C-N 3.27Å; G1516-S1518 PolarHBondContact O-N 3.1Å; S1518-A1520 VanDerWaalsContact C-N 3.28Å; S1518-A1520 PolarHBondContact O-N 3.15Å; S1518-Y1535 VanDerWaalsContact CB-OH 3.28Å; S1518-Y1535 WeakPolarHBondContact CB-OH 3.23Å; S1518-Y1535 PolarHBondContact OG-OH 3.07Å
1519N62.4Low73.4Confident40.6 Ų40.6102.1 Ų102.122%0.21752%0.521CS..Hα-helixtrans-78.9-4.5-172.4-62.7-18.2000114G1516 N1521 I1522 S1531 Y1535G1516-N1519 CarbonylContact O-C 3.57Å; G1516-N1519 PolarHBondContact O-N 3.16Å; G1516-N1519 VanDerWaalsContact O-N 3.12Å; N1519-N1521 PolarHBondContact O-N 3.17Å; N1519-N1521 VanDerWaalsContact O-N 3.09Å; N1519-I1522 HydrophobicContact CB-CD1 4.13Å; N1519-I1522 VanDerWaalsContact O-CB 3.29Å; N1519-I1522 WeakPolarHBondContact O-CB 3.37Å; N1519-I1522 WeakPolarHBondContact O-CG1 3.46Å; N1519-I1522 PolarHBondContact O-N 2.99Å; N1519-I1522 WeakPolarHBondContact OD1-CD1 3.45Å; N1519-S1531 WeakPolarHBondContact OD1-CB 3.48Å; N1519-S1531 PolarHBondContact OD1-OG 3.2Å; N1519-Y1535 PolarHBondContact OD1-OH 3.21Å
1520A63.1Low73.3Confident84 Ų84104.9 Ų104.969%0.69453%0.527SS*.THydrogen-bonded Turntrans-60.2-20-175.600000115.3G1516 S1518 I1522G1516-A1520 PolarHBondContact O-N 3.11Å; G1516-A1520 VanDerWaalsContact O-N 3.12Å; S1518-A1520 VanDerWaalsContact C-N 3.28Å; S1518-A1520 PolarHBondContact O-N 3.15Å; A1520-I1522 VanDerWaalsContact C-N 3.35Å
1521N65.2Low73Confident154.8 Ų154.899.5 Ų99.583%0.82850%0.504SS*.THydrogen-bonded Turntrans-89.40.2174.6-102.7-9.4000113.7N1519 T1523N1519-N1521 PolarHBondContact O-N 3.17Å; N1519-N1521 VanDerWaalsContact O-N 3.09Å; N1521-T1523 PolarHBondContact O-N 3.13Å
1522I65.4Low73.1Confident48.2 Ų48.297.5 Ų97.525%0.24751%0.514CS..  trans-95.990.2-171.3-54.9-178.1000110.3N1519 A1520 I1527 M1528 S1531N1519-I1522 HydrophobicContact CB-CD1 4.13Å; N1519-I1522 VanDerWaalsContact O-CB 3.29Å; N1519-I1522 WeakPolarHBondContact O-CB 3.37Å; N1519-I1522 WeakPolarHBondContact O-CG1 3.46Å; N1519-I1522 PolarHBondContact O-N 2.99Å; N1519-I1522 WeakPolarHBondContact OD1-CD1 3.45Å; A1520-I1522 VanDerWaalsContact C-N 3.35Å; I1522-I1527 HydrophobicContact CD1-CG2 4.32Å; I1522-I1527 HydrophobicContact CG1-CG2 4.41Å; I1522-I1527 HydrophobicContact CG2-CB 3.72Å; I1522-I1527 HydrophobicContact CG2-CG2 3.59Å; I1522-M1528 HydrophobicContact CG2-CB 4.08Å; I1522-S1531 VanDerWaalsContact CD1-CB 3.45Å
1523T75.4Confident73.1Confident138 Ų13895 Ų9585%0.84751%0.505SS*.  trans-86-16.7179.1530000114N1521N1521-T1523 PolarHBondContact O-N 3.13Å
1524E78.8Confident73.1Confident107.6 Ų107.698.7 Ų98.750%0.50352%0.515SS..  trans-96.3126.4-176.8-63.5-167.7166.700112.9Y1526 I1527 M1528E1524-Y1526 VanDerWaalsContact C-N 3.27Å; E1524-Y1526 HydrophobicContact CB-CD1 4Å; E1524-Y1526 HydrophobicContact CB-CE1 3.75Å; E1524-Y1526 VanDerWaalsContact CD-CE1 3.47Å; E1524-Y1526 HydrophobicContact CG-CE1 4.25Å; E1524-Y1526 PolarHBondContact O-N 3.24Å; E1524-Y1526 VanDerWaalsContact O-N 3.14Å; E1524-Y1526 WeakPolarHBondContact OE2-CE1 3.49Å; E1524-Y1526 VanDerWaalsContact OE2-CZ 3.22Å; E1524-Y1526 PolarHBondContact OE2-OH 3Å; E1524-I1527 HydrophobicContact CB-CB 4.29Å; E1524-I1527 HydrophobicContact CB-CD1 3.95Å; E1524-I1527 HydrophobicContact CB-CG1 3.93Å; E1524-I1527 HydrophobicContact CG-CD1 4.23Å; E1524-I1527 PolarHBondContact O-N 3.18Å; E1524-I1527 VanDerWaalsContact O-N 3.11Å; E1524-I1527 WeakPolarHBondContact OE2-CD1 3.39Å; E1524-M1528 PolarHBondContact O-N 3.18Å
1525H80.1Confident73.1Confident121 Ų12198.5 Ų98.556%0.5650%0.5SS*.Hα-helixtrans-54.9-35177.4-178.2-99.3000113.6M1528 L1529 N1602 N1603H1525-M1528 PolarHBondContact O-N 2.97Å; H1525-L1529 VanDerWaalsContact CE1-CD1 3.43Å; H1525-L1529 WeakPolarHBondContact CE1-CD1 3.35Å; H1525-L1529 WeakPolarHBondContact O-CB 3.45Å; H1525-L1529 WeakPolarHBondContact O-CD1 3.43Å; H1525-L1529 PolarHBondContact O-N 2.98Å; H1525-N1602 PolarHBondContact CE1-ND2 3.25Å; H1525-N1603 PolarHBondContact CE1-OD1 2.86Å; H1525-N1603 PolarHBondContact NE2-OD1 3.46Å
1526Y83.5Confident73.3Confident141.4 Ų141.498.9 Ų98.956%0.55550%0.504SS*.Hα-helixtrans-68.6-34.1177.5161.8-87.6000113.2E1524 R1530E1524-Y1526 VanDerWaalsContact C-N 3.27Å; E1524-Y1526 HydrophobicContact CB-CD1 4Å; E1524-Y1526 HydrophobicContact CB-CE1 3.75Å; E1524-Y1526 VanDerWaalsContact CD-CE1 3.47Å; E1524-Y1526 HydrophobicContact CG-CE1 4.25Å; E1524-Y1526 PolarHBondContact O-N 3.24Å; E1524-Y1526 VanDerWaalsContact O-N 3.14Å; E1524-Y1526 WeakPolarHBondContact OE2-CE1 3.49Å; E1524-Y1526 VanDerWaalsContact OE2-CZ 3.22Å; E1524-Y1526 PolarHBondContact OE2-OH 3Å; Y1526-R1530 VanDerWaalsContact CE2-CZ 3.46Å; Y1526-R1530 VanDerWaalsContact CZ-CZ 3.43Å; Y1526-R1530 VanDerWaalsContact CZ-NH1 3.26Å; Y1526-R1530 PolarHBondContact O-NH1 3.29Å; Y1526-R1530 VanDerWaalsContact OH-CZ 3.32Å; Y1526-R1530 PolarHBondContact OH-NE 3.28Å; Y1526-R1530 PolarHBondContact OH-NH2 2.99Å
1527I77.4Confident73.7Confident73.4 Ų73.4105.7 Ų105.738%0.37653%0.527SS..Hα-helixtrans-78.2-40.4177.3-56.5178.4000109.2I1522 E1524 L1529 R1530 S1531I1522-I1527 HydrophobicContact CD1-CG2 4.32Å; I1522-I1527 HydrophobicContact CG1-CG2 4.41Å; I1522-I1527 HydrophobicContact CG2-CB 3.72Å; I1522-I1527 HydrophobicContact CG2-CG2 3.59Å; E1524-I1527 HydrophobicContact CB-CB 4.29Å; E1524-I1527 HydrophobicContact CB-CD1 3.95Å; E1524-I1527 HydrophobicContact CB-CG1 3.93Å; E1524-I1527 HydrophobicContact CG-CD1 4.23Å; E1524-I1527 PolarHBondContact O-N 3.18Å; E1524-I1527 VanDerWaalsContact O-N 3.11Å; E1524-I1527 WeakPolarHBondContact OE2-CD1 3.39Å; I1527-L1529 VanDerWaalsContact C-N 3.29Å; I1527-L1529 PolarHBondContact O-N 3.21Å; I1527-R1530 CarbonylContact O-C 3.45Å; I1527-R1530 VanDerWaalsContact O-C 3.29Å; I1527-R1530 WeakPolarHBondContact O-CA 3.44Å; I1527-R1530 PolarHBondContact O-N 3.02Å; I1527-S1531 PolarHBondContact O-N 3.07Å
1528M79.7Confident73.8Confident107.8 Ų107.8102.2 Ų102.253%0.53152%0.52SS..Hα-helixtrans-59.8-36.4174-173.2179.968.500112.5I1522 E1524 H1525 R1530 S1531I1522-M1528 HydrophobicContact CG2-CB 4.08Å; E1524-M1528 PolarHBondContact O-N 3.18Å; H1525-M1528 PolarHBondContact O-N 2.97Å; M1528-R1530 PolarHBondContact O-N 3.01Å; M1528-R1530 VanDerWaalsContact O-N 3.12Å; M1528-S1531 PolarHBondContact O-N 3.12Å; M1528-S1531 PolarHBondContact O-OG 3.05Å; M1528-S1531 VanDerWaalsContact O-OG 3.11Å
1529L80.3Confident73.8Confident108.8 Ų108.8101.3 Ų101.357%0.5752%0.521SS*.THydrogen-bonded Turntrans-68.4-7.6171.5-104.3110.9000114.4H1525 I1527 I1600 N1602H1525-L1529 VanDerWaalsContact CE1-CD1 3.43Å; H1525-L1529 WeakPolarHBondContact CE1-CD1 3.35Å; H1525-L1529 WeakPolarHBondContact O-CB 3.45Å; H1525-L1529 WeakPolarHBondContact O-CD1 3.43Å; H1525-L1529 PolarHBondContact O-N 2.98Å; I1527-L1529 VanDerWaalsContact C-N 3.29Å; I1527-L1529 PolarHBondContact O-N 3.21Å; L1529-I1600 HydrophobicContact CD2-CD1 4.2Å; L1529-I1600 HydrophobicContact CD2-CG1 4.01Å; L1529-N1602 WeakPolarHBondContact CD1-ND2 3.34Å; L1529-N1602 VanDerWaalsContact CD2-ND2 3.26Å; L1529-N1602 WeakPolarHBondContact CD2-ND2 3.29Å
1530R80.6Confident73.4Confident159 Ų159104.9 Ų104.960%0.654%0.541SS*.THydrogen-bonded Turntrans-122.90.4179.2-74.4-179.7177.272.7-0.1113.8Y1526 I1527 M1528 G1532Y1526-R1530 VanDerWaalsContact CE2-CZ 3.46Å; Y1526-R1530 VanDerWaalsContact CZ-CZ 3.43Å; Y1526-R1530 VanDerWaalsContact CZ-NH1 3.26Å; Y1526-R1530 PolarHBondContact O-NH1 3.29Å; Y1526-R1530 VanDerWaalsContact OH-CZ 3.32Å; Y1526-R1530 PolarHBondContact OH-NE 3.28Å; Y1526-R1530 PolarHBondContact OH-NH2 2.99Å; I1527-R1530 CarbonylContact O-C 3.45Å; I1527-R1530 VanDerWaalsContact O-C 3.29Å; I1527-R1530 WeakPolarHBondContact O-CA 3.44Å; I1527-R1530 PolarHBondContact O-N 3.02Å; M1528-R1530 PolarHBondContact O-N 3.01Å; M1528-R1530 VanDerWaalsContact O-N 3.12Å; R1530-G1532 PolarHBondContact O-N 3.07Å; R1530-G1532 VanDerWaalsContact O-N 3.1Å
1531S77.6Confident73.1Confident21.2 Ų21.2105.4 Ų105.415%0.14854%0.536CS..  trans-82.823.7175.268.10000112.9N1519 I1522 I1527 M1528 D1533N1519-S1531 WeakPolarHBondContact OD1-CB 3.48Å; N1519-S1531 PolarHBondContact OD1-OG 3.2Å; I1522-S1531 VanDerWaalsContact CD1-CB 3.45Å; I1527-S1531 PolarHBondContact O-N 3.07Å; M1528-S1531 PolarHBondContact O-N 3.12Å; M1528-S1531 PolarHBondContact O-OG 3.05Å; M1528-S1531 VanDerWaalsContact O-OG 3.11Å; S1531-D1533 PolarHBondContact O-N 3.26Å
1532G78.4Confident72.6Confident55.2 Ų55.2105.8 Ų105.857%0.56953%0.533SS*.  trans-85.2104.416500000108.5R1530R1530-G1532 PolarHBondContact O-N 3.07Å; R1530-G1532 VanDerWaalsContact O-N 3.1Å
1533D76.7Confident72.1Confident81.2 Ų81.2111.1 Ų111.143%0.43456%0.557SS.*  trans-121.8167178.7-171.612.3000109S1531 Y1535 L1536S1531-D1533 PolarHBondContact O-N 3.26Å; D1533-Y1535 VanDerWaalsContact C-N 3.26Å; D1533-Y1535 HydrophobicContact CB-CD1 3.8Å; D1533-Y1535 HydrophobicContact CB-CE1 3.54Å; D1533-Y1535 PolarHBondContact O-N 3.02Å; D1533-Y1535 VanDerWaalsContact O-N 3.16Å; D1533-Y1535 WeakPolarHBondContact OD2-CD1 3.37Å; D1533-Y1535 VanDerWaalsContact OD2-CE1 3.28Å; D1533-Y1535 WeakPolarHBondContact OD2-CE1 3.32Å; D1533-L1536 VanDerWaalsContact O-CB 3.31Å; D1533-L1536 WeakPolarHBondContact O-CB 3.38Å; D1533-L1536 PolarHBondContact O-N 3.15Å
1534Y79Confident71Confident190.6 Ų190.6107.6 Ų107.675%0.74753%0.533SS*.G310 helixtrans-57.9-34.4-170.3-66.1-83.2000113.2L1536 F1537 E1538Y1534-L1536 PolarHBondContact O-N 3.21Å; Y1534-L1536 VanDerWaalsContact O-N 3.12Å; Y1534-F1537 CarbonylContact O-C 3.59Å; Y1534-F1537 WeakPolarHBondContact O-CA 3.39Å; Y1534-F1537 PolarHBondContact O-N 3.25Å; Y1534-E1538 PolarHBondContact O-N 3.18Å; Y1534-E1538 VanDerWaalsContact O-N 3.12Å
1535Y74.9Confident69.7Low64.8 Ų64.8107.4 Ų107.425%0.25454%0.535SS..G310 helixtrans-61.3-17.8176.770.1-102.4000114.3F1515 S1518 N1519 D1533 F1537 E1538F1515-Y1535 HydrophobicContact CD1-CD2 4.22Å; F1515-Y1535 HydrophobicContact CD1-CE2 4.4Å; F1515-Y1535 HydrophobicContact CE1-CD2 4.47Å; F1515-Y1535 VanDerWaalsContact CE1-O 3.27Å; F1515-Y1535 WeakPolarHBondContact CE1-O 3.36Å; S1518-Y1535 VanDerWaalsContact CB-OH 3.28Å; S1518-Y1535 WeakPolarHBondContact CB-OH 3.23Å; S1518-Y1535 PolarHBondContact OG-OH 3.07Å; N1519-Y1535 PolarHBondContact OD1-OH 3.21Å; D1533-Y1535 VanDerWaalsContact C-N 3.26Å; D1533-Y1535 HydrophobicContact CB-CD1 3.8Å; D1533-Y1535 HydrophobicContact CB-CE1 3.54Å; D1533-Y1535 PolarHBondContact O-N 3.02Å; D1533-Y1535 VanDerWaalsContact O-N 3.16Å; D1533-Y1535 WeakPolarHBondContact OD2-CD1 3.37Å; D1533-Y1535 VanDerWaalsContact OD2-CE1 3.28Å; D1533-Y1535 WeakPolarHBondContact OD2-CE1 3.32Å; Y1535-F1537 VanDerWaalsContact C-N 3.26Å; Y1535-F1537 PolarHBondContact O-N 3.15Å; Y1535-E1538 WeakPolarHBondContact CA-OE2 3.36Å; Y1535-E1538 PolarHBondContact O-N 3.31Å
1536L72.5Confident68.2Low64.6 Ų64.6106.3 Ų106.334%0.33853%0.534SS..G310 helixtrans-77.2-12.4175.1-141.373.5000112.7F1515 D1533 Y1534F1515-L1536 HydrophobicContact CB-CD1 3.83Å; F1515-L1536 HydrophobicContact CD1-CD1 4.25Å; F1515-L1536 HydrophobicContact CD2-CD1 4.12Å; F1515-L1536 HydrophobicContact CD2-CG 4.5Å; F1515-L1536 HydrophobicContact CE2-CD1 4.32Å; F1515-L1536 HydrophobicContact CG-CD1 3.93Å; F1515-L1536 HydrophobicContact CG-CG 4.39Å; D1533-L1536 VanDerWaalsContact O-CB 3.31Å; D1533-L1536 WeakPolarHBondContact O-CB 3.38Å; D1533-L1536 PolarHBondContact O-N 3.15Å; Y1534-L1536 PolarHBondContact O-N 3.21Å; Y1534-L1536 VanDerWaalsContact O-N 3.12Å
1537F74.6Confident66.4Low169.6 Ų169.6104.9 Ų104.974%0.74453%0.531SS*.THydrogen-bonded Turntrans-112.7-2.2176.3-56.1-87.5000112.2Y1534 Y1535 G1539Y1534-F1537 CarbonylContact O-C 3.59Å; Y1534-F1537 WeakPolarHBondContact O-CA 3.39Å; Y1534-F1537 PolarHBondContact O-N 3.25Å; Y1535-F1537 VanDerWaalsContact C-N 3.26Å; Y1535-F1537 PolarHBondContact O-N 3.15Å; F1537-G1539 VanDerWaalsContact C-N 3.3Å; F1537-G1539 PolarHBondContact O-N 3.1Å; F1537-G1539 VanDerWaalsContact O-N 3.11Å
1538E64.7Low64.9Low147.6 Ų147.6104.8 Ų104.869%0.6953%0.534SS*.  trans-80.487172.3-70.6-179.5151.600110.2Y1534 Y1535Y1534-E1538 PolarHBondContact O-N 3.18Å; Y1534-E1538 VanDerWaalsContact O-N 3.12Å; Y1535-E1538 WeakPolarHBondContact CA-OE2 3.36Å; Y1535-E1538 PolarHBondContact O-N 3.31Å
1539G59Low63.1Low47.2 Ų47.2104.7 Ų104.749%0.48754%0.535SS..SBendtrans-165.3136.9168.800000109.4F1537F1537-G1539 VanDerWaalsContact C-N 3.3Å; F1537-G1539 PolarHBondContact O-N 3.1Å; F1537-G1539 VanDerWaalsContact O-N 3.11Å
1540D54.2Low61.2Low117.8 Ų117.8108.4 Ų108.463%0.6354%0.542SS*.  trans-65.7129.6-178.1-96.5-49.8000110.4E1542 E1543D1540-E1542 PolarHBondContact O-N 2.92Å; D1540-E1542 VanDerWaalsContact O-N 3.12Å; D1540-E1543 PolarHBondContact O-N 3.18Å; D1540-E1543 VanDerWaalsContact O-N 3.09Å
1541P57.1Low59.3Low92.8 Ų92.8106.7 Ų106.760%0.60354%0.54SS*.THydrogen-bonded Turntrans-64.7-13.8179.927.1-35.1000112.9E1543 D1544 D1545P1541-E1543 VanDerWaalsContact C-N 3.31Å; P1541-E1543 PolarHBondContact O-N 3.03Å; P1541-D1544 PolarHBondContact O-N 3.27Å; P1541-D1545 PolarHBondContact O-N 2.03Å
1542E54.3Low57.5Low163 Ų163110.7 Ų110.776%0.76256%0.564SS**Hα-helixtrans-72-18.2-178.9-55.4-16515800113.5D1540 D1546D1540-E1542 PolarHBondContact O-N 2.92Å; D1540-E1542 VanDerWaalsContact O-N 3.12Å; E1542-D1546 WeakPolarHBondContact O-CB 3.28Å
1543E56.1Low55.4Low161.2 Ų161.2116 Ų11675%0.75357%0.573SS**Hα-helixtrans-81.9-25.6177.1-68.7-159.7142.600114.4D1540 P1541 D1546 F1547D1540-E1543 PolarHBondContact O-N 3.18Å; D1540-E1543 VanDerWaalsContact O-N 3.09Å; P1541-E1543 VanDerWaalsContact C-N 3.31Å; P1541-E1543 PolarHBondContact O-N 3.03Å; E1543-D1546 PolarHBondContact O-N 2.88Å; E1543-F1547 PolarHBondContact O-N 3.38Å
1544D52.5Low53.6Low63.4 Ų63.4119.2 Ų119.234%0.33959%0.589SS.*Hα-helixtrans-80.2-38.3-177.6-83.9-57.4000113.3R1511 P1541 D1546 F1547R1511-D1544 IonicContact CZ-OD1 3.25Å; R1511-D1544 IonicContact CZ-OD2 2.99Å; R1511-D1544 VanDerWaalsContact NH1-CG 3.3Å; R1511-D1544 IonicContact NH1-OD1 3.27Å; R1511-D1544 PolarHBondContact NH1-OD1 3.27Å; R1511-D1544 IonicContact NH1-OD2 3.09Å; R1511-D1544 PolarHBondContact NH1-OD2 3.06Å; R1511-D1544 IonicContact NH2-OD1 3.49Å; R1511-D1544 IonicContact NH2-OD2 3.08Å; R1511-D1544 PolarHBondContact NH2-OD2 3.17Å; P1541-D1544 PolarHBondContact O-N 3.27Å; D1544-D1546 VanDerWaalsContact C-N 3.31Å; D1544-D1546 PolarHBondContact O-N 3.34Å; D1544-F1547 PolarHBondContact O-N 2.89Å
1545D50.1Low51.4Low103 Ų103116.4 Ų116.455%0.55159%0.592SS**Hα-helixtrans-72.3-27.6-175-88.5-24.1000113K1504 P1541 F1547 V1548 N1549K1504-D1545 IonicContact NZ-OD1 2.76Å; K1504-D1545 PolarHBondContact NZ-OD1 2.88Å; P1541-D1545 PolarHBondContact O-N 2.03Å; D1545-F1547 VanDerWaalsContact C-N 3.28Å; D1545-F1547 PolarHBondContact O-N 3.12Å; D1545-F1547 VanDerWaalsContact O-N 3.11Å; D1545-V1548 WeakPolarHBondContact O-CB 3.48Å; D1545-V1548 PolarHBondContact O-N 3.27Å; D1545-V1548 VanDerWaalsContact O-N 3.12Å; D1545-N1549 PolarHBondContact O-N 3.22Å; D1545-N1549 VanDerWaalsContact O-N 3.14Å; D1545-N1549 PolarHBondContact O-ND2 3.38Å
1546D49.3Very low49.3Very low98.2 Ų98.2116.4 Ų116.453%0.52561%0.612SS.*THydrogen-bonded Turntrans-70.6-21.4-177.4-141.736.2000112.8E1542 E1543 D1544 V1548 N1549 R1550E1542-D1546 WeakPolarHBondContact O-CB 3.28Å; E1543-D1546 PolarHBondContact O-N 2.88Å; D1544-D1546 VanDerWaalsContact C-N 3.31Å; D1544-D1546 PolarHBondContact O-N 3.34Å; D1546-V1548 VanDerWaalsContact C-N 3.3Å; D1546-V1548 PolarHBondContact O-N 3.11Å; D1546-N1549 PolarHBondContact O-N 3.18Å; D1546-N1549 VanDerWaalsContact O-N 3.09Å; D1546-R1550 VanDerWaalsContact O-CB 3.29Å; D1546-R1550 WeakPolarHBondContact O-CB 3.21Å; D1546-R1550 WeakPolarHBondContact O-CG 3.22Å; D1546-R1550 PolarHBondContact O-N 2.98Å; D1546-R1550 VanDerWaalsContact O-N 3.11Å; D1546-R1550 IonicContact OD2-CZ 3.36Å; D1546-R1550 IonicContact OD2-NE 2.81Å; D1546-R1550 PolarHBondContact OD2-NE 3.09Å; D1546-R1550 IonicContact OD2-NH2 2.69Å; D1546-R1550 PolarHBondContact OD2-NH2 3.07Å
1547F45.1Very low47.6Very low111.6 Ų111.6121 Ų12149%0.48964%0.637SS.*THydrogen-bonded Turntrans-81.2-16.3173.2-130.1-84.9000113.9Q1503 K1504 E1543 D1544 D1545 N1549 R1550 Q1551Q1503-F1547 VanDerWaalsContact CD-CE1 3.48Å; Q1503-F1547 HydrophobicContact CG-CE1 4.13Å; Q1503-F1547 HydrophobicContact CG-CZ 4.28Å; Q1503-F1547 VanDerWaalsContact NE2-CZ 3.25Å; Q1503-F1547 VanDerWaalsContact OE1-CE1 3.31Å; K1504-F1547 HydrophobicContact CG-CE1 4.4Å; E1543-F1547 PolarHBondContact O-N 3.38Å; D1544-F1547 PolarHBondContact O-N 2.89Å; D1545-F1547 VanDerWaalsContact C-N 3.28Å; D1545-F1547 PolarHBondContact O-N 3.12Å; D1545-F1547 VanDerWaalsContact O-N 3.11Å; F1547-N1549 VanDerWaalsContact C-N 3.26Å; F1547-N1549 PolarHBondContact O-N 3.26Å; F1547-R1550 PolarHBondContact O-N 3.34Å; F1547-Q1551 PolarHBondContact O-N 3.1Å; F1547-Q1551 PolarHBondContact O-OE1 3.29Å
1548V46.5Very low45.8Very low72.8 Ų72.8120.6 Ų120.644%0.44164%0.642SS.*THydrogen-bonded Turntrans-86.8-39178.4-1780000111.4L1507 D1545 D1546 R1550 Q1551L1507-V1548 HydrophobicContact CD1-CG2 4.31Å; D1545-V1548 WeakPolarHBondContact O-CB 3.48Å; D1545-V1548 PolarHBondContact O-N 3.27Å; D1545-V1548 VanDerWaalsContact O-N 3.12Å; D1546-V1548 VanDerWaalsContact C-N 3.3Å; D1546-V1548 PolarHBondContact O-N 3.11Å; V1548-R1550 PolarHBondContact O-N 2.95Å; V1548-Q1551 PolarHBondContact O-N 2.95Å
1549N41.8Very low44.6Very low104.4 Ų104.4118.8 Ų118.856%0.55865%0.646SS**Hα-helixtrans-75.4-9.7-173.2-82.2-40.9000115.1D1545 D1546 F1547 Q1551 T1552 H1553D1545-N1549 PolarHBondContact O-N 3.22Å; D1545-N1549 VanDerWaalsContact O-N 3.14Å; D1545-N1549 PolarHBondContact O-ND2 3.38Å; D1546-N1549 PolarHBondContact O-N 3.18Å; D1546-N1549 VanDerWaalsContact O-N 3.09Å; F1547-N1549 VanDerWaalsContact C-N 3.26Å; F1547-N1549 PolarHBondContact O-N 3.26Å; N1549-Q1551 VanDerWaalsContact C-N 3.27Å; N1549-Q1551 PolarHBondContact O-N 3.18Å; N1549-Q1551 VanDerWaalsContact O-N 3.12Å; N1549-T1552 WeakPolarHBondContact CA-OG1 3.47Å; N1549-T1552 PolarHBondContact O-N 3.02Å; N1549-T1552 PolarHBondContact O-OG1 3.2Å; N1549-H1553 PolarHBondContact O-N 3.47Å
1550R40.8Very low43.6Very low188 Ų188123.2 Ų123.271%0.70966%0.659SS**THydrogen-bonded Turntrans-88.1-4.5176.4-119.9174.1-103.4-160.84.4114.5D1546 F1547 V1548 T1552 H1553D1546-R1550 VanDerWaalsContact O-CB 3.29Å; D1546-R1550 WeakPolarHBondContact O-CB 3.21Å; D1546-R1550 WeakPolarHBondContact O-CG 3.22Å; D1546-R1550 PolarHBondContact O-N 2.98Å; D1546-R1550 VanDerWaalsContact O-N 3.11Å; D1546-R1550 IonicContact OD2-CZ 3.36Å; D1546-R1550 IonicContact OD2-NE 2.81Å; D1546-R1550 PolarHBondContact OD2-NE 3.09Å; D1546-R1550 IonicContact OD2-NH2 2.69Å; D1546-R1550 PolarHBondContact OD2-NH2 3.07Å; F1547-R1550 PolarHBondContact O-N 3.34Å; V1548-R1550 PolarHBondContact O-N 2.95Å; R1550-T1552 PolarHBondContact O-N 3.07Å; R1550-H1553 PolarHBondContact O-N 3.26Å
1551Q40.5Very low43.1Very low122.8 Ų122.8125.5 Ų125.557%0.57467%0.665SS**G310 helixtrans-106.32.3-179.9-125.6133.43.300115.3F1547 V1548 N1549 H1553F1547-Q1551 PolarHBondContact O-N 3.1Å; F1547-Q1551 PolarHBondContact O-OE1 3.29Å; V1548-Q1551 PolarHBondContact O-N 2.95Å; N1549-Q1551 VanDerWaalsContact C-N 3.27Å; N1549-Q1551 PolarHBondContact O-N 3.18Å; N1549-Q1551 VanDerWaalsContact O-N 3.12Å; Q1551-H1553 VanDerWaalsContact C-N 3.28Å; Q1551-H1553 PolarHBondContact O-N 2.86Å
1552T38.6Very low42.2Very low105.4 Ų105.4125.9 Ų125.965%0.64767%0.671SS**THydrogen-bonded Turntrans-1193.5175.830.60000114.4N1549 R1550 I1554N1549-T1552 WeakPolarHBondContact CA-OG1 3.47Å; N1549-T1552 PolarHBondContact O-N 3.02Å; N1549-T1552 PolarHBondContact O-OG1 3.2Å; R1550-T1552 PolarHBondContact O-N 3.07Å; T1552-I1554 PolarHBondContact O-N 3.25Å; T1552-I1554 VanDerWaalsContact O-N 3.11Å
1553H35.4Very low41.5Very low165.2 Ų165.2124.3 Ų124.377%0.76567%0.667SS**  trans-100.737.3177.2-110.5-72.1000114.1N1549 R1550 Q1551N1549-H1553 PolarHBondContact O-N 3.47Å; R1550-H1553 PolarHBondContact O-N 3.26Å; Q1551-H1553 VanDerWaalsContact C-N 3.28Å; Q1551-H1553 PolarHBondContact O-N 2.86Å
1554I37.8Very low40.8Very low150.2 Ų150.2124.4 Ų124.477%0.7767%0.665SS**  trans-119.781.3166.4-52.8178.9000109T1552T1552-I1554 PolarHBondContact O-N 3.25Å; T1552-I1554 VanDerWaalsContact O-N 3.11Å
1555T33Very low40.1Very low129.8 Ų129.8127.2 Ų127.280%0.79668%0.68SS**  trans-134.3121.5149.644.90000109.2
1556G32.5Very low39.5Very low66.4 Ų66.4129.1 Ų129.169%0.68569%0.69SS**  trans-123.9133.1174.700000113.5
1557N34.8Very low39Very low161.4 Ų161.4129.6 Ų129.686%0.86370%0.702SS**  trans-160.4120.2156.7-94.1-4.5000111
1558D37.1Very low38.7Very low159.8 Ų159.8129.7 Ų129.786%0.85572%0.716SS**  trans-95.2144.5164.1-72.7-57.1000111.2
1559S40.4Very low38.3Very low110.8 Ų110.8132 Ų13278%0.77573%0.733SS**  trans-162132.1166.351.20000113.2
1560D38.1Very low38.1Very low138.2 Ų138.2132.7 Ų132.774%0.73974%0.742SS**  -151.3149.4120.4-108.5-33.8000117
1561H42.4Very low37.8Very low166.4 Ų166.4129.9 Ų129.977%0.7775%0.747SS**  trans60.7124.1151.4-72.1-39.9000121.9
1562S39.7Very low37.6Very low102.6 Ų102.6130.3 Ų130.372%0.71776%0.76SS**  125.7121.5118.155.30000117
1563D40Very low37.4Very low128.2 Ų128.2129.4 Ų129.469%0.68676%0.763SS**  67.4110.3119.3-80.71.2000119.6
1564K39.8Very low37.2Very low164.4 Ų164.4129.9 Ų129.972%0.71577%0.77SS**  126.4134.8106.8-88.1178.2-178.3111.70119.6
1565D37.9Very low36.9Very low121.2 Ų121.2133.4 Ų133.465%0.64877%0.774SS**  trans71.4101.2134.4-60.4-11.9000122.3
1566N38.2Very low36.9Very low143.8 Ų143.8135.4 Ų135.477%0.76978%0.779SS**  87.2110.7117.7-64.8-45.2000119.5
1567S38.1Very low36.8Very low109.2 Ų109.2141.7 Ų141.776%0.76478%0.782SS**  159132.6120.257.20000118.3
1568S38.5Very low36.7Very low112 Ų112141.3 Ų141.378%0.78378%0.775SS**  trans73.6132.7149.359.70000119.1
1569P38.7Very low36.4Very low122.8 Ų122.8138.7 Ų138.780%0.79777%0.769SS**  trans-98.3161.1-177.238.4-33.7000113.5
1570P38.5Very low35.9Very low117.4 Ų117.4142.3 Ų142.376%0.76277%0.771SS**PPolyproline II helixtrans-114.1154.6154.535.9-26.1000114.4
1571T34.6Very low35.7Very low130.8 Ų130.8143.5 Ų143.580%0.80277%0.772SS**PPolyproline II helixtrans-44.2148.2163.145.50000115.3A1573T1571-A1573 PolarHBondContact O-N 2.96Å
1572P35.8Very low35.1Very low131.2 Ų131.2142.2 Ų142.285%0.85277%0.77SS**  trans-89.6125.4-154.231-31000114.7L1574P1572-L1574 PolarHBondContact O-N 3.02Å
1573A33.2Very low34.7Very low85.2 Ų85.2145.5 Ų145.570%0.70478%0.779SS**  trans-119.3116.3167.200000111.6T1571 R1575T1571-A1573 PolarHBondContact O-N 2.96Å; A1573-R1575 VanDerWaalsContact C-N 3.27Å; A1573-R1575 HydrophobicContact CB-CG 3.99Å; A1573-R1575 PolarHBondContact O-N 3.46Å
1574L32.7Very low34.1Very low176.8 Ų176.8150.4 Ų150.493%0.92679%0.788SS**  trans-32.299.5168.9-98.1167.4000114.2P1572P1572-L1574 PolarHBondContact O-N 3.02Å
1575R30.4Very low33.6Very low222.6 Ų222.6149.6 Ų149.684%0.8479%0.791SS**  trans-111.1126.9157.8-74.5175.1179.4162.70.6110.9A1573 R1577A1573-R1575 VanDerWaalsContact C-N 3.27Å; A1573-R1575 HydrophobicContact CB-CG 3.99Å; A1573-R1575 PolarHBondContact O-N 3.46Å; R1575-R1577 PolarHBondContact O-N 2.98Å
1576L33.6Very low33.2Very low172.2 Ų172.2152 Ų15290%0.90280%0.798SS**  trans-121.2126146.3-14471.2000110.7
1577R31.2Very low32.9Very low199.2 Ų199.2154.8 Ų154.875%0.75280%0.803SS**  trans-144.3131.3-173.7175179.4172.5164.93.6109R1575 S1579R1575-R1577 PolarHBondContact O-N 2.98Å; R1577-S1579 PolarHBondContact NE-OG 3.42Å; R1577-S1579 PolarHBondContact NH2-OG 3.41Å; R1577-S1579 PolarHBondContact O-N 3.33Å; R1577-S1579 VanDerWaalsContact O-N 3.1Å
1578E31.9Very low32.4Very low153.2 Ų153.2154.9 Ų154.972%0.71680%0.8SS**  trans-0.8111.9160.6-65.2178.1119.700115.9K1580E1578-K1580 VanDerWaalsContact C-N 3.34Å; E1578-K1580 PolarHBondContact O-N 3.05Å; E1578-K1580 IonicContact OE1-NZ 3.2Å; E1578-K1580 PolarHBondContact OE1-NZ 3.45Å; E1578-K1580 IonicContact OE2-NZ 3.58Å
1579S30.7Very low32.1Very low104.4 Ų104.4155.4 Ų155.473%0.7380%0.798SS**  trans-141.783.115060.50000110.6R1577 H1581R1577-S1579 PolarHBondContact NE-OG 3.42Å; R1577-S1579 PolarHBondContact NH2-OG 3.41Å; R1577-S1579 PolarHBondContact O-N 3.33Å; R1577-S1579 VanDerWaalsContact O-N 3.1Å; S1579-H1581 VanDerWaalsContact C-N 3.33Å; S1579-H1581 PolarHBondContact O-N 3.23Å
1580K30.7Very low31.8Very low186.8 Ų186.8157.2 Ų157.281%0.81280%0.799SS**  trans-86.597.9153.5-80.2-174.5175.8162.80110.4E1578E1578-K1580 VanDerWaalsContact C-N 3.34Å; E1578-K1580 PolarHBondContact O-N 3.05Å; E1578-K1580 IonicContact OE1-NZ 3.2Å; E1578-K1580 PolarHBondContact OE1-NZ 3.45Å; E1578-K1580 IonicContact OE2-NZ 3.58Å
1581H32.1Very low31.4Very low163.2 Ų163.2156.5 Ų156.576%0.75680%0.797SS**  156.1147.2128.5-104.2-95.3000113.3S1579S1579-H1581 VanDerWaalsContact C-N 3.33Å; S1579-H1581 PolarHBondContact O-N 3.23Å
1582N30Very low31.3Very low139.2 Ų139.2158.5 Ų158.574%0.74480%0.797SS**  trans71.778.9162.7-52.7-14.5000118.1
1583L31.1Very low31.1Very low170.8 Ų170.8160.9 Ų160.989%0.89480%0.797SS**  -147.6107.8127.6-134.968.2000110
1584R28.6Very low31.2Very low231.8 Ų231.8163.9 Ų163.988%0.87580%0.8SS**  trans-115.8120.3157.7-98.7-176.6170.4179.6-3.1110.5
1585L29.7Very low31.1Very low148.8 Ų148.8162.2 Ų162.278%0.77979%0.791SS**  trans-163131.7175.6-92.1101.8000110.9
1586Q29.5Very low31.4Very low171.2 Ų171.2160 Ų16080%0.879%0.788SS**  -179.3132.3105.8-80.7171.9-26.800111.7T1588 V1589Q1586-T1588 PolarHBondContact O-N 3.02Å; Q1586-V1589 PolarHBondContact O-N 3.25Å
1587K30.9Very low31.4Very low201.8 Ų201.8160.8 Ų160.888%0.87779%0.787SS**  trans-141.682.9138-148.1176.61801770110.7
1588T28.2Very low31.4Very low112.4 Ų112.4155.7 Ų155.769%0.6979%0.787SS**  trans-133.4124.7160.450.10000110.6Q1586Q1586-T1588 PolarHBondContact O-N 3.02Å
1589V31.1Very low31.4Very low122 Ų122154.4 Ų154.474%0.73979%0.79SS**  trans-168.1150.9173.4-164.20000110.6Q1586 S1591Q1586-V1589 PolarHBondContact O-N 3.25Å; V1589-S1591 VanDerWaalsContact C-N 3.28Å; V1589-S1591 PolarHBondContact O-N 2.9Å
1590I32.9Very low31.7Very low160 Ų160156.5 Ų156.582%0.82179%0.792SS**  trans86.578171.8-49.2177.6000111.5
1591S31.1Very low31.8Very low103.6 Ų103.6152.4 Ų152.472%0.72479%0.787SS**  trans-132.574.9167-103.50000111.5V1589V1589-S1591 VanDerWaalsContact C-N 3.28Å; V1589-S1591 PolarHBondContact O-N 2.9Å
1592E31.5Very low31.9Very low172.2 Ų172.2151 Ų15181%0.80579%0.785SS**  trans-141.670.1144.3-98.8169.5165.600111.9
1593E33Very low32Very low181 Ų181150.9 Ų150.985%0.84678%0.784SS**  trans-162.3136.9143.7-127.1179.1178.200111.5
1594I34.1Very low32.1Very low149 Ų149151.1 Ų151.176%0.76478%0.78SS**  trans97.771.4140.6-57.6176.7000113.4K1596I1594-K1596 VanDerWaalsContact C-N 3.25Å; I1594-K1596 PolarHBondContact O-N 2.84Å; I1594-K1596 VanDerWaalsContact O-N 3.12Å
1595D30.9Very low32.3Very low141.2 Ų141.2145.8 Ų145.876%0.75577%0.774SS**  trans-4497.6157.1-95.1-21.1000117.3
1596K36.1Very low32.3Very low176.2 Ų176.2147.9 Ų147.977%0.76678%0.777SS**  trans-175.5109.8146-90.4160.8-169.9149.80117.9I1594I1594-K1596 VanDerWaalsContact C-N 3.25Å; I1594-K1596 PolarHBondContact O-N 2.84Å; I1594-K1596 VanDerWaalsContact O-N 3.12Å
1597Q33.3Very low32.2Very low188 Ų188144.8 Ų144.888%0.87977%0.774SS**  trans105.999.7163-82.9160.7-15.200116.3
1598A31.1Very low32Very low92.6 Ų92.6143.3 Ų143.377%0.76577%0.77SS**  trans-156117.1155.300000112.3
1599T32.8Very low32Very low126.8 Ų126.8144.6 Ų144.678%0.77878%0.778SS**  trans-141.3161.2137.613.20000111.1
1600I36.1Very low31.9Very low148.8 Ų148.8144.4 Ų144.476%0.76378%0.777SS**  trans92.6122.2157.5-72.7162.9000116.2L1529L1529-I1600 HydrophobicContact CD2-CD1 4.2Å; L1529-I1600 HydrophobicContact CD2-CG1 4.01Å
1601S33.9Very low31.8Very low100.4 Ų100.4143.8 Ų143.870%0.70277%0.774SS**  trans117.5133.313270.60000118.5
1602N33.2Very low31.9Very low132.6 Ų132.6145 Ų14571%0.70978%0.777SS**  trans-153.1129.5159.7-74.2-17.8000116H1525 L1529H1525-N1602 PolarHBondContact CE1-ND2 3.25Å; L1529-N1602 WeakPolarHBondContact CD1-ND2 3.34Å; L1529-N1602 VanDerWaalsContact CD2-ND2 3.26Å; L1529-N1602 WeakPolarHBondContact CD2-ND2 3.29Å
1603N34.1Very low31.9Very low138.2 Ų138.2141.6 Ų141.674%0.73977%0.77SS**  trans121.6121.6135.4-77.2-17.3000115.8H1525 T1605H1525-N1603 PolarHBondContact CE1-OD1 2.86Å; H1525-N1603 PolarHBondContact NE2-OD1 3.46Å; N1603-T1605 PolarHBondContact O-N 3.48Å
1604H32.5Very low32.1Very low173.6 Ų173.6139.4 Ų139.480%0.80476%0.764SS**  trans-116.9135.4140.8-97.6-64.4000114.1
1605T32.4Very low32.4Very low122.2 Ų122.2134.7 Ų134.775%0.7575%0.753SS**  trans-144.5152.8148.637.70000114.6N1603 S1607N1603-T1605 PolarHBondContact O-N 3.48Å; T1605-S1607 PolarHBondContact O-N 3.14Å
1606K28.8Very low33.1Very low192.4 Ų192.4133.7 Ų133.784%0.83774%0.741SS**  trans22.3123.3169.7-64.5175178.6174.90114.7
1607S28.2Very low33.8Very low106 Ų106130.4 Ų130.474%0.74173%0.732SS**  -130.1132.6116.4-1660000112.7T1605T1605-S1607 PolarHBondContact O-N 3.14Å
1608Q27.2Very low34.5Very low169.4 Ų169.4128.4 Ų128.479%0.79272%0.718SS**  trans-100.8141.7155.6-84.9167.4-40.100110.8T1610Q1608-T1610 PolarHBondContact O-N 3.12Å; Q1608-T1610 VanDerWaalsContact O-N 3.15Å; Q1608-T1610 PolarHBondContact O-OG1 3.46Å
1609V28.6Very low35.5Very low141.4 Ų141.4127.3 Ų127.386%0.85770%0.698SS**  trans-97.297168.3-178.20000109L1611V1609-L1611 PolarHBondContact O-N 3.04Å
1610T29.1Very low36.4Very low116.4 Ų116.4128.9 Ų128.971%0.71469%0.69SS**  trans-85.2126.9-179.8-400000110.9Q1608 V1612Q1608-T1610 PolarHBondContact O-N 3.12Å; Q1608-T1610 VanDerWaalsContact O-N 3.15Å; Q1608-T1610 PolarHBondContact O-OG1 3.46Å; T1610-V1612 PolarHBondContact O-N 3.28Å
1611L29.6Very low37.4Very low147.6 Ų147.6127.6 Ų127.677%0.77369%0.685SS**  trans-88.2117.3177.2-84.9131000111.7V1609 P1613V1609-L1611 PolarHBondContact O-N 3.04Å; L1611-P1613 WeakPolarHBondContact O-CD 3.38Å; L1611-P1613 WeakPolarHBondContact O-CG 3.39Å
1612V33.1Very low38.5Very low129.8 Ų129.8127.1 Ų127.179%0.78767%0.673SS**  trans-80.1117.3162.7-178.10000110.5T1610 N1614T1610-V1612 PolarHBondContact O-N 3.28Å; V1612-N1614 PolarHBondContact O-N 3.23Å
1613P31.7Very low39.4Very low100.2 Ų100.2127.1 Ų127.165%0.65166%0.663SS**  trans-84147.3-179.525.3-22.7000112.5L1611 G1615L1611-P1613 WeakPolarHBondContact O-CD 3.38Å; L1611-P1613 WeakPolarHBondContact O-CG 3.39Å; P1613-G1615 PolarHBondContact O-N 3.46Å
1614N36.7Very low40.3Very low134.8 Ų134.8126.2 Ų126.272%0.72167%0.665SS**  trans7174.7165.2-75.3-21.7000115.8V1612 K1616 N1617V1612-N1614 PolarHBondContact O-N 3.23Å; N1614-K1616 PolarHBondContact O-N 3.21Å; N1614-K1616 VanDerWaalsContact O-N 3.11Å; N1614-N1617 PolarHBondContact O-N 2.89Å
1615G41.5Very low41.9Very low51 Ų51122.7 Ų122.753%0.52666%0.661SS.*THydrogen-bonded Turntrans-67.211.2179.500000116.5P1613 N1617 L1619P1613-G1615 PolarHBondContact O-N 3.46Å; G1615-N1617 VanDerWaalsContact C-N 3.32Å; G1615-N1617 PolarHBondContact O-N 3.28Å; G1615-L1619 WeakPolarHBondContact O-CB 3.38Å; G1615-L1619 WeakPolarHBondContact O-CG 3.43Å; G1615-L1619 PolarHBondContact O-N 2.89Å
1616K44.4Very low43.4Very low118.8 Ų118.8119.1 Ų119.152%0.51764%0.636SS.*Hα-helixtrans-78-27.3176.7-69.4-166.1176.2-166.90113.8N1614 D1632 S1635N1614-K1616 PolarHBondContact O-N 3.21Å; N1614-K1616 VanDerWaalsContact O-N 3.11Å; K1616-D1632 VanDerWaalsContact CE-OD1 3.27Å; K1616-D1632 WeakPolarHBondContact CE-OD1 3.36Å; K1616-D1632 IonicContact NZ-OD1 2.93Å; K1616-D1632 PolarHBondContact NZ-OD1 3.18Å; K1616-D1632 IonicContact NZ-OD2 3.19Å; K1616-D1632 PolarHBondContact NZ-OD2 3.35Å; K1616-D1632 VanDerWaalsContact NZ-OD2 3.1Å; K1616-S1635 WeakPolarHBondContact CE-OG 3.41Å; K1616-S1635 VanDerWaalsContact CG-OG 3.25Å; K1616-S1635 WeakPolarHBondContact CG-OG 3.42Å
1617N51.9Low45Very low107.2 Ų107.2115 Ų11557%0.57362%0.623SS**Hα-helixtrans-84.2-41.3-179.5-64.44.1000111.7N1614 G1615 L1619 R1620 D1621N1614-N1617 PolarHBondContact O-N 2.89Å; G1615-N1617 VanDerWaalsContact C-N 3.32Å; G1615-N1617 PolarHBondContact O-N 3.28Å; N1617-L1619 VanDerWaalsContact C-N 3.26Å; N1617-L1619 PolarHBondContact O-N 3.23Å; N1617-L1619 VanDerWaalsContact O-N 3.15Å; N1617-R1620 CarbonylContact O-C 3.59Å; N1617-R1620 WeakPolarHBondContact O-CA 3.36Å; N1617-R1620 VanDerWaalsContact O-CB 3.29Å; N1617-R1620 WeakPolarHBondContact O-CB 3.26Å; N1617-R1620 PolarHBondContact O-N 3.15Å; N1617-D1621 VanDerWaalsContact O-CG 3.24Å; N1617-D1621 PolarHBondContact O-N 3.15Å; N1617-D1621 VanDerWaalsContact O-N 3.11Å
1618Y47.9Very low46.8Very low146.4 Ų146.4114.1 Ų114.157%0.57462%0.615SS**Hα-helixtrans-56.3-31.4-177-145.6-97.5000114.1R1620 D1621 I1622 L1924 L1927Y1618-R1620 VanDerWaalsContact C-N 3.33Å; Y1618-R1620 PolarHBondContact O-N 3.46Å; Y1618-D1621 PolarHBondContact N-OD2 3.43Å; Y1618-D1621 PolarHBondContact O-N 3.2Å; Y1618-I1622 HydrophobicContact CD1-CD1 3.77Å; Y1618-I1622 HydrophobicContact CD1-CG1 4.04Å; Y1618-I1622 HydrophobicContact CD2-CD1 4.39Å; Y1618-I1622 HydrophobicContact CE1-CD1 3.66Å; Y1618-I1622 VanDerWaalsContact CE1-CD1 3.42Å; Y1618-I1622 HydrophobicContact CE1-CG1 4.33Å; Y1618-I1622 HydrophobicContact CE2-CD1 4Å; Y1618-I1622 HydrophobicContact CG-CD1 4.32Å; Y1618-I1622 VanDerWaalsContact CZ-CD1 3.42Å; Y1618-I1622 VanDerWaalsContact O-CB 3.3Å; Y1618-I1622 WeakPolarHBondContact O-CB 3.48Å; Y1618-I1622 WeakPolarHBondContact O-CD1 3.42Å; Y1618-I1622 VanDerWaalsContact O-CG1 3.29Å; Y1618-I1622 WeakPolarHBondContact O-CG1 3.41Å; Y1618-I1622 PolarHBondContact O-N 3.32Å; Y1618-I1622 VanDerWaalsContact O-N 3.17Å; Y1618-L1924 HydrophobicContact CE1-CD2 4.36Å; Y1618-L1927 WeakPolarHBondContact OH-CD1 3.42Å
1619L52.1Low48.8Very low69.2 Ų69.2112.3 Ų112.336%0.36261%0.611SS.*Hα-helixtrans-73.1-26.8174.3-75.5172000113.5G1615 N1617 W1623 L1631 L1634G1615-L1619 WeakPolarHBondContact O-CB 3.38Å; G1615-L1619 WeakPolarHBondContact O-CG 3.43Å; G1615-L1619 PolarHBondContact O-N 2.89Å; N1617-L1619 VanDerWaalsContact C-N 3.26Å; N1617-L1619 PolarHBondContact O-N 3.23Å; N1617-L1619 VanDerWaalsContact O-N 3.15Å; L1619-W1623 WeakPolarHBondContact O-CB 3.37Å; L1619-W1623 PolarHBondContact O-N 3.21Å; L1619-W1623 VanDerWaalsContact O-N 3.08Å; L1619-L1631 HydrophobicContact CB-CD1 3.8Å; L1619-L1631 VanDerWaalsContact CB-CD1 3.49Å; L1619-L1631 HydrophobicContact CD1-CD1 4.34Å; L1619-L1634 HydrophobicContact CD1-CB 3.9Å
1620R52.1Low50.5Low161.2 Ų161.2109.6 Ų109.661%0.60859%0.591SS**Hα-helixtrans-75.4-38.1173.2-134.8-178.5-109.6-158.1-2.6111.4N1617 Y1618 I1622 W1623 L1631N1617-R1620 CarbonylContact O-C 3.59Å; N1617-R1620 WeakPolarHBondContact O-CA 3.36Å; N1617-R1620 VanDerWaalsContact O-CB 3.29Å; N1617-R1620 WeakPolarHBondContact O-CB 3.26Å; N1617-R1620 PolarHBondContact O-N 3.15Å; Y1618-R1620 VanDerWaalsContact C-N 3.33Å; Y1618-R1620 PolarHBondContact O-N 3.46Å; R1620-I1622 VanDerWaalsContact C-N 3.3Å; R1620-I1622 PolarHBondContact O-N 3.09Å; R1620-W1623 CarbonylContact O-C 3.47Å; R1620-W1623 VanDerWaalsContact O-C 3.24Å; R1620-W1623 PolarHBondContact O-N 2.84Å; R1620-W1623 VanDerWaalsContact O-N 3.17Å; R1620-L1631 HydrophobicContact CB-CD2 4.42Å; R1620-L1631 HydrophobicContact CG-CD2 3.49Å; R1620-L1631 VanDerWaalsContact CG-CD2 3.44Å
1621D55.5Low52Low121.8 Ų121.8104.9 Ų104.965%0.65156%0.561SS**Hα-helixtrans-69.3-30.5179.3-54.9-35.6000112.1N1617 Y1618N1617-D1621 VanDerWaalsContact O-CG 3.24Å; N1617-D1621 PolarHBondContact O-N 3.15Å; N1617-D1621 VanDerWaalsContact O-N 3.11Å; Y1618-D1621 PolarHBondContact N-OD2 3.43Å; Y1618-D1621 PolarHBondContact O-N 3.2Å
1622I57.4Low53.4Low89.2 Ų89.2101.8 Ų101.846%0.45755%0.545SS..Hα-helixtrans-81.8-29.7177-71172000112.6M1484 Y1618 R1620 P1624 R1920 L1924M1484-I1622 HydrophobicContact CE-CG2 4.39Å; Y1618-I1622 HydrophobicContact CD1-CD1 3.77Å; Y1618-I1622 HydrophobicContact CD1-CG1 4.04Å; Y1618-I1622 HydrophobicContact CD2-CD1 4.39Å; Y1618-I1622 HydrophobicContact CE1-CD1 3.66Å; Y1618-I1622 VanDerWaalsContact CE1-CD1 3.42Å; Y1618-I1622 HydrophobicContact CE1-CG1 4.33Å; Y1618-I1622 HydrophobicContact CE2-CD1 4Å; Y1618-I1622 HydrophobicContact CG-CD1 4.32Å; Y1618-I1622 VanDerWaalsContact CZ-CD1 3.42Å; Y1618-I1622 VanDerWaalsContact O-CB 3.3Å; Y1618-I1622 WeakPolarHBondContact O-CB 3.48Å; Y1618-I1622 WeakPolarHBondContact O-CD1 3.42Å; Y1618-I1622 VanDerWaalsContact O-CG1 3.29Å; Y1618-I1622 WeakPolarHBondContact O-CG1 3.41Å; Y1618-I1622 PolarHBondContact O-N 3.32Å; Y1618-I1622 VanDerWaalsContact O-N 3.17Å; R1620-I1622 VanDerWaalsContact C-N 3.3Å; R1620-I1622 PolarHBondContact O-N 3.09Å; I1622-P1624 VanDerWaalsContact C-CD 3.47Å; I1622-R1920 PolarHBondContact O-NH2 2.74Å; I1622-L1924 HydrophobicContact CD1-CD2 4.3Å
1623W51.9Low54.8Low131.4 Ų131.4100.6 Ų100.650%0.49854%0.538SS..  trans-136.576.1-173.4-142.5-45.2000112.8L1619 R1620 S1625 I1626 L1917L1619-W1623 WeakPolarHBondContact O-CB 3.37Å; L1619-W1623 PolarHBondContact O-N 3.21Å; L1619-W1623 VanDerWaalsContact O-N 3.08Å; R1620-W1623 CarbonylContact O-C 3.47Å; R1620-W1623 VanDerWaalsContact O-C 3.24Å; R1620-W1623 PolarHBondContact O-N 2.84Å; R1620-W1623 VanDerWaalsContact O-N 3.17Å; W1623-S1625 PolarHBondContact NE1-OG 3.16Å; W1623-S1625 PolarHBondContact O-N 3.26Å; W1623-S1625 VanDerWaalsContact O-N 3.09Å; W1623-I1626 HydrophobicContact CB-CB 4.33Å; W1623-I1626 HydrophobicContact CB-CD1 4.11Å; W1623-I1626 HydrophobicContact CB-CG1 4.34Å; W1623-I1626 HydrophobicContact CD2-CD1 3.69Å; W1623-I1626 HydrophobicContact CD2-CG1 4.23Å; W1623-I1626 HydrophobicContact CE3-CD1 4.13Å; W1623-I1626 HydrophobicContact CG-CB 4.03Å; W1623-I1626 HydrophobicContact CG-CD1 3.7Å; W1623-I1626 VanDerWaalsContact CG-CD1 3.48Å; W1623-I1626 HydrophobicContact CG-CG1 3.97Å; W1623-I1626 HydrophobicContact CZ2-CD1 4.28Å; W1623-I1626 HydrophobicContact CZ3-CD1 4.14Å; W1623-I1626 PolarHBondContact O-N 3.06Å; W1623-L1917 HydrophobicContact CH2-CD1 4.24Å; W1623-L1917 HydrophobicContact CZ3-CD1 4.47Å
1624P54.1Low55.7Low120 Ų120100.1 Ų100.178%0.77953%0.529SS*.THydrogen-bonded Turntrans-66-5.3-176-3.67.6000115.5I1622I1622-P1624 VanDerWaalsContact C-CD 3.47Å
1625S65.7Low56.5Low100.6 Ų100.695.8 Ų95.870%0.70351%0.51SS*.THydrogen-bonded Turntrans-116.719.4-174.878.40000114.3W1623W1623-S1625 PolarHBondContact NE1-OG 3.16Å; W1623-S1625 PolarHBondContact O-N 3.26Å; W1623-S1625 VanDerWaalsContact O-N 3.09Å
1626I62.9Low56.8Low45.4 Ų45.498.4 Ų98.423%0.23351%0.512CS..SBendtrans-96.8137.7179.4-105178000110.7W1623 I1630 L1631 L1634W1623-I1626 HydrophobicContact CB-CB 4.33Å; W1623-I1626 HydrophobicContact CB-CD1 4.11Å; W1623-I1626 HydrophobicContact CB-CG1 4.34Å; W1623-I1626 HydrophobicContact CD2-CD1 3.69Å; W1623-I1626 HydrophobicContact CD2-CG1 4.23Å; W1623-I1626 HydrophobicContact CE3-CD1 4.13Å; W1623-I1626 HydrophobicContact CG-CB 4.03Å; W1623-I1626 HydrophobicContact CG-CD1 3.7Å; W1623-I1626 VanDerWaalsContact CG-CD1 3.48Å; W1623-I1626 HydrophobicContact CG-CG1 3.97Å; W1623-I1626 HydrophobicContact CZ2-CD1 4.28Å; W1623-I1626 HydrophobicContact CZ3-CD1 4.14Å; W1623-I1626 PolarHBondContact O-N 3.06Å; I1626-I1630 HydrophobicContact CD1-CG2 4.29Å; I1626-I1630 HydrophobicContact CG1-CG2 4.3Å; I1626-I1630 HydrophobicContact CG2-CB 4.12Å; I1626-I1630 HydrophobicContact CG2-CG2 4.21Å; I1626-L1631 HydrophobicContact CG2-CB 3.92Å; I1626-L1631 HydrophobicContact CG2-CD1 4.11Å; I1626-L1631 HydrophobicContact CG2-CG 4.46Å; I1626-L1634 HydrophobicContact CD1-CD1 4.01Å
1627D64.2Low56.7Low107 Ų107100.6 Ų100.657%0.57252%0.518SS*.  trans-57.7137.7176.3-86.6-47.7000111.7N1629 I1630 L1631D1627-N1629 VanDerWaalsContact C-N 3.26Å; D1627-N1629 PolarHBondContact O-N 3.03Å; D1627-N1629 VanDerWaalsContact O-N 3.13Å; D1627-I1630 HydrophobicContact CB-CB 4.29Å; D1627-I1630 HydrophobicContact CB-CD1 4.04Å; D1627-I1630 HydrophobicContact CB-CG1 4.01Å; D1627-I1630 WeakPolarHBondContact O-CA 3.42Å; D1627-I1630 WeakPolarHBondContact O-CB 3.34Å; D1627-I1630 PolarHBondContact O-N 3.25Å; D1627-L1631 PolarHBondContact O-N 3.11Å; D1627-L1631 VanDerWaalsContact O-N 3.13Å
1628P65.4Low56.2Low87.8 Ų87.8102.1 Ų102.157%0.5753%0.526SS*.Hα-helixtrans-60.4-31.9-177.223.2-33.2000112.9I1630 L1631 D1632P1628-I1630 PolarHBondContact O-N 2.87Å; P1628-L1631 WeakPolarHBondContact O-CB 3.47Å; P1628-L1631 PolarHBondContact O-N 2.92Å; P1628-D1632 PolarHBondContact O-N 3.15Å; P1628-D1632 VanDerWaalsContact O-N 3.07Å
1629N69.1Low55.6Low131.6 Ų131.698.9 Ų98.970%0.70452%0.519SS*.Hα-helixtrans-67.3-36.1174.8-70.7-9.5000112.5D1627 D1632 V1633D1627-N1629 VanDerWaalsContact C-N 3.26Å; D1627-N1629 PolarHBondContact O-N 3.03Å; D1627-N1629 VanDerWaalsContact O-N 3.13Å; N1629-D1632 PolarHBondContact O-N 2.93Å; N1629-V1633 WeakPolarHBondContact O-CG2 3.43Å; N1629-V1633 PolarHBondContact O-N 3.14Å; N1629-V1633 VanDerWaalsContact O-N 3.13Å
1630I63.3Low55Low85.2 Ų85.2100.1 Ų100.144%0.43753%0.531SS..Hα-helixtrans-72.3-39177.2-61.7178.8000109.7I1626 D1627 P1628 D1632 V1633 L1634I1626-I1630 HydrophobicContact CD1-CG2 4.29Å; I1626-I1630 HydrophobicContact CG1-CG2 4.3Å; I1626-I1630 HydrophobicContact CG2-CB 4.12Å; I1626-I1630 HydrophobicContact CG2-CG2 4.21Å; D1627-I1630 HydrophobicContact CB-CB 4.29Å; D1627-I1630 HydrophobicContact CB-CD1 4.04Å; D1627-I1630 HydrophobicContact CB-CG1 4.01Å; D1627-I1630 WeakPolarHBondContact O-CA 3.42Å; D1627-I1630 WeakPolarHBondContact O-CB 3.34Å; D1627-I1630 PolarHBondContact O-N 3.25Å; P1628-I1630 PolarHBondContact O-N 2.87Å; I1630-D1632 VanDerWaalsContact C-N 3.33Å; I1630-D1632 PolarHBondContact O-N 3.02Å; I1630-V1633 PolarHBondContact O-N 3.3Å; I1630-L1634 HydrophobicContact CG2-CD1 3.97Å; I1630-L1634 HydrophobicContact CG2-CG 4.31Å; I1630-L1634 WeakPolarHBondContact O-CB 3.41Å; I1630-L1634 WeakPolarHBondContact O-CG 3.43Å; I1630-L1634 PolarHBondContact O-N 3.12Å; I1630-L1634 VanDerWaalsContact O-N 3.11Å
1631L61.7Low54.2Low16.4 Ų16.499.6 Ų99.69%0.08653%0.53CS..Hα-helixtrans-61.3-40.6174.9-165.367.3000112.1L1619 R1620 I1626 D1627 P1628 L1634 S1635L1619-L1631 HydrophobicContact CB-CD1 3.8Å; L1619-L1631 VanDerWaalsContact CB-CD1 3.49Å; L1619-L1631 HydrophobicContact CD1-CD1 4.34Å; R1620-L1631 HydrophobicContact CB-CD2 4.42Å; R1620-L1631 HydrophobicContact CG-CD2 3.49Å; R1620-L1631 VanDerWaalsContact CG-CD2 3.44Å; I1626-L1631 HydrophobicContact CG2-CB 3.92Å; I1626-L1631 HydrophobicContact CG2-CD1 4.11Å; I1626-L1631 HydrophobicContact CG2-CG 4.46Å; D1627-L1631 PolarHBondContact O-N 3.11Å; D1627-L1631 VanDerWaalsContact O-N 3.13Å; P1628-L1631 WeakPolarHBondContact O-CB 3.47Å; P1628-L1631 PolarHBondContact O-N 2.92Å; L1631-L1634 PolarHBondContact O-N 2.84Å; L1631-S1635 VanDerWaalsContact O-CB 3.27Å; L1631-S1635 WeakPolarHBondContact O-CB 3.36Å; L1631-S1635 PolarHBondContact O-N 3.23Å; L1631-S1635 PolarHBondContact O-OG 3.21Å
1632D59.1Low53.2Low82.4 Ų82.497 Ų9744%0.44152%0.521SS..Hα-helixtrans-70.4-36178.2-136.344.5000112.6K1616 P1628 N1629 I1630 L1634 S1635 N1636K1616-D1632 VanDerWaalsContact CE-OD1 3.27Å; K1616-D1632 WeakPolarHBondContact CE-OD1 3.36Å; K1616-D1632 IonicContact NZ-OD1 2.93Å; K1616-D1632 PolarHBondContact NZ-OD1 3.18Å; K1616-D1632 IonicContact NZ-OD2 3.19Å; K1616-D1632 PolarHBondContact NZ-OD2 3.35Å; K1616-D1632 VanDerWaalsContact NZ-OD2 3.1Å; P1628-D1632 PolarHBondContact O-N 3.15Å; P1628-D1632 VanDerWaalsContact O-N 3.07Å; N1629-D1632 PolarHBondContact O-N 2.93Å; I1630-D1632 VanDerWaalsContact C-N 3.33Å; I1630-D1632 PolarHBondContact O-N 3.02Å; D1632-L1634 VanDerWaalsContact C-N 3.3Å; D1632-L1634 PolarHBondContact O-N 3.38Å; D1632-S1635 WeakPolarHBondContact CA-OG 3.43Å; D1632-S1635 PolarHBondContact O-N 3.13Å; D1632-S1635 PolarHBondContact O-OG 3.33Å; D1632-S1635 VanDerWaalsContact O-OG 3.13Å; D1632-N1636 WeakPolarHBondContact O-CB 3.44Å; D1632-N1636 PolarHBondContact O-N 2.99Å; D1632-N1636 VanDerWaalsContact O-N 3.15Å; D1632-N1636 PolarHBondContact O-ND2 2.87Å; D1632-N1636 PolarHBondContact OD1-ND2 3.33Å; D1632-N1636 VanDerWaalsContact OD1-ND2 3.11Å; D1632-N1636 PolarHBondContact OD2-ND2 3.14Å
1633V61.9Low51.9Low104 Ų10498.5 Ų98.563%0.6354%0.535SS*.Hα-helixtrans-65-43.3171.5170.20000111.5N1629 I1630 S1635 N1636 Y1637N1629-V1633 WeakPolarHBondContact O-CG2 3.43Å; N1629-V1633 PolarHBondContact O-N 3.14Å; N1629-V1633 VanDerWaalsContact O-N 3.13Å; I1630-V1633 PolarHBondContact O-N 3.3Å; V1633-S1635 VanDerWaalsContact C-N 3.28Å; V1633-S1635 PolarHBondContact O-N 3.36Å; V1633-N1636 CarbonylContact O-C 3.46Å; V1633-N1636 PolarHBondContact O-N 2.97Å; V1633-Y1637 PolarHBondContact O-N 3.1Å
1634L50.5Low50.9Low90.6 Ų90.699.1 Ų99.147%0.47455%0.546SS..Hα-helixtrans-67.8-36.7178.1-72.5170.4000112.5L1619 I1626 I1630 L1631 D1632 N1636 Y1637L1619-L1634 HydrophobicContact CD1-CB 3.9Å; I1626-L1634 HydrophobicContact CD1-CD1 4.01Å; I1630-L1634 HydrophobicContact CG2-CD1 3.97Å; I1630-L1634 HydrophobicContact CG2-CG 4.31Å; I1630-L1634 WeakPolarHBondContact O-CB 3.41Å; I1630-L1634 WeakPolarHBondContact O-CG 3.43Å; I1630-L1634 PolarHBondContact O-N 3.12Å; I1630-L1634 VanDerWaalsContact O-N 3.11Å; L1631-L1634 PolarHBondContact O-N 2.84Å; D1632-L1634 VanDerWaalsContact C-N 3.3Å; D1632-L1634 PolarHBondContact O-N 3.38Å; L1634-N1636 VanDerWaalsContact C-N 3.29Å; L1634-N1636 PolarHBondContact O-N 3.04Å; L1634-Y1637 WeakPolarHBondContact O-CB 3.22Å; L1634-Y1637 PolarHBondContact O-N 3.32Å
1635S53Low49.7Very low45.6 Ų45.697.9 Ų97.932%0.31954%0.541SS..Hα-helixtrans-75.7-14.7177.460.10000114.6K1616 L1631 D1632 V1633K1616-S1635 WeakPolarHBondContact CE-OG 3.41Å; K1616-S1635 VanDerWaalsContact CG-OG 3.25Å; K1616-S1635 WeakPolarHBondContact CG-OG 3.42Å; L1631-S1635 VanDerWaalsContact O-CB 3.27Å; L1631-S1635 WeakPolarHBondContact O-CB 3.36Å; L1631-S1635 PolarHBondContact O-N 3.23Å; L1631-S1635 PolarHBondContact O-OG 3.21Å; D1632-S1635 WeakPolarHBondContact CA-OG 3.43Å; D1632-S1635 PolarHBondContact O-N 3.13Å; D1632-S1635 PolarHBondContact O-OG 3.33Å; D1632-S1635 VanDerWaalsContact O-OG 3.13Å; V1633-S1635 VanDerWaalsContact C-N 3.28Å; V1633-S1635 PolarHBondContact O-N 3.36Å
1636N48.9Very low48Very low104.8 Ų104.8102.3 Ų102.356%0.5655%0.548SS*.THydrogen-bonded Turntrans-102.57.4173.9-72.2-59000113.3D1632 V1633 L1634 N1638D1632-N1636 WeakPolarHBondContact O-CB 3.44Å; D1632-N1636 PolarHBondContact O-N 2.99Å; D1632-N1636 VanDerWaalsContact O-N 3.15Å; D1632-N1636 PolarHBondContact O-ND2 2.87Å; D1632-N1636 PolarHBondContact OD1-ND2 3.33Å; D1632-N1636 VanDerWaalsContact OD1-ND2 3.11Å; D1632-N1636 PolarHBondContact OD2-ND2 3.14Å; V1633-N1636 CarbonylContact O-C 3.46Å; V1633-N1636 PolarHBondContact O-N 2.97Å; L1634-N1636 VanDerWaalsContact C-N 3.29Å; L1634-N1636 PolarHBondContact O-N 3.04Å; N1636-N1638 VanDerWaalsContact C-N 3.29Å; N1636-N1638 PolarHBondContact O-N 3.34Å; N1636-N1638 VanDerWaalsContact O-N 3.1Å
1637Y41.5Very low46.5Very low165 Ų165104.5 Ų104.565%0.64757%0.567SS**  trans-7687178.9-168.4-93000111.8V1633 L1634 D1639V1633-Y1637 PolarHBondContact O-N 3.1Å; L1634-Y1637 WeakPolarHBondContact O-CB 3.22Å; L1634-Y1637 PolarHBondContact O-N 3.32Å; Y1637-D1639 PolarHBondContact O-N 2.97Å
1638N41.1Very low45.1Very low139.4 Ų139.4105.3 Ų105.375%0.74557%0.571SS**  trans-77.6127.6170.1-74.3-34.6000110.7N1636 P1640N1636-N1638 VanDerWaalsContact C-N 3.29Å; N1636-N1638 PolarHBondContact O-N 3.34Å; N1636-N1638 VanDerWaalsContact O-N 3.1Å; N1638-P1640 VanDerWaalsContact O-CD 3.28Å; N1638-P1640 WeakPolarHBondContact O-CD 3.34Å
1639D35.9Very low43.6Very low77.4 Ų77.4109.6 Ų109.641%0.41458%0.584SS.*  trans-64.1119.6174.3173.26.6000110.5Y1637 Y1641 S1642Y1637-D1639 PolarHBondContact O-N 2.97Å; D1639-Y1641 PolarHBondContact O-N 3.13Å; D1639-Y1641 VanDerWaalsContact O-N 3.09Å; D1639-Y1641 PolarHBondContact OD1-N 3.25Å; D1639-Y1641 VanDerWaalsContact OD1-N 3.16Å; D1639-S1642 WeakPolarHBondContact O-CB 3.39Å; D1639-S1642 PolarHBondContact O-N 3.14Å; D1639-S1642 VanDerWaalsContact O-N 3.12Å; D1639-S1642 PolarHBondContact O-OG 3.26Å; D1639-S1642 VanDerWaalsContact O-OG 3.11Å
1640P40.2Very low41.9Very low95.8 Ų95.8111.4 Ų111.462%0.62259%0.592SS**THydrogen-bonded Turntrans-66.6-2.2-178.628.1-35.2000114.6N1638N1638-P1640 VanDerWaalsContact O-CD 3.28Å; N1638-P1640 WeakPolarHBondContact O-CD 3.34Å
1641Y34.6Very low40.4Very low150.4 Ų150.4117.1 Ų117.159%0.5961%0.608SS**THydrogen-bonded Turntrans-1128175.3-61.8-75.7000114D1639 T1643 P2591D1639-Y1641 PolarHBondContact O-N 3.13Å; D1639-Y1641 VanDerWaalsContact O-N 3.09Å; D1639-Y1641 PolarHBondContact OD1-N 3.25Å; D1639-Y1641 VanDerWaalsContact OD1-N 3.16Å; Y1641-T1643 PolarHBondContact O-N 3Å; Y1641-P2591 HydrophobicContact CD2-CG 4.02Å; Y1641-P2591 HydrophobicContact CE1-CG 4.45Å; Y1641-P2591 HydrophobicContact CE2-CB 4.03Å; Y1641-P2591 HydrophobicContact CE2-CG 3.25Å
1642S35Very low38.9Very low67 Ų67127.1 Ų127.147%0.46965%0.645SS.*SBendtrans-79.298173.664.80000112.3D1639 I1644D1639-S1642 WeakPolarHBondContact O-CB 3.39Å; D1639-S1642 PolarHBondContact O-N 3.14Å; D1639-S1642 VanDerWaalsContact O-N 3.12Å; D1639-S1642 PolarHBondContact O-OG 3.26Å; D1639-S1642 VanDerWaalsContact O-OG 3.11Å; S1642-I1644 PolarHBondContact O-N 3.34Å
1643T30.9Very low37.6Very low120.4 Ų120.4129.9 Ų129.974%0.73967%0.665SS**  trans-81.698.4-179.753.60000113.3Y1641 S1645Y1641-T1643 PolarHBondContact O-N 3Å; T1643-S1645 VanDerWaalsContact C-N 3.35Å; T1643-S1645 PolarHBondContact O-N 3.21Å; T1643-S1645 VanDerWaalsContact O-N 3.09Å
1644I30.1Very low36Very low144 Ų144135.4 Ų135.474%0.73867%0.674SS**  trans-68104.6163.6-56.7178.3000109.7S1642 F1646S1642-I1644 PolarHBondContact O-N 3.34Å; I1644-F1646 HydrophobicContact CG2-CD2 3.81Å; I1644-F1646 HydrophobicContact CG2-CE2 4.49Å; I1644-F1646 PolarHBondContact O-N 3.1Å; I1644-F1646 VanDerWaalsContact O-N 3.16Å
1645S29.9Very low35.1Very low94.6 Ų94.6136.5 Ų136.566%0.66269%0.687SS**  trans-75.4111.7168.750.80000110.2T1643 S1647T1643-S1645 VanDerWaalsContact C-N 3.35Å; T1643-S1645 PolarHBondContact O-N 3.21Å; T1643-S1645 VanDerWaalsContact O-N 3.09Å; S1645-S1647 PolarHBondContact O-N 3.08Å
1646F28.4Very low34Very low193.8 Ų193.8140.4 Ų140.485%0.8571%0.709SS**THydrogen-bonded Turntrans-72.274.5179.4-125.7-88.9000111.5I1644I1644-F1646 HydrophobicContact CG2-CD2 3.81Å; I1644-F1646 HydrophobicContact CG2-CE2 4.49Å; I1644-F1646 PolarHBondContact O-N 3.1Å; I1644-F1646 VanDerWaalsContact O-N 3.16Å
1647S33.1Very low33.2Very low90.6 Ų90.6140 Ų14063%0.63472%0.715SS**THydrogen-bonded Turntrans-150.63.9-175.4-590000116.9S1645S1645-S1647 PolarHBondContact O-N 3.08Å
1648D34.1Very low32.8Very low123.6 Ų123.6140.9 Ų140.966%0.66172%0.724SS**SBendtrans-121.94.7176.9-105.9-36.5000115.8L1650 R1651D1648-L1650 PolarHBondContact O-N 3.25Å; D1648-R1651 IonicContact OD1-CZ 2.73Å; D1648-R1651 IonicContact OD1-NH1 2.74Å; D1648-R1651 PolarHBondContact OD1-NH1 2.97Å
1649E33.8Very low32.3Very low179.4 Ų179.4139.4 Ų139.484%0.83873%0.725SS**  trans-92.4-10.2177.8-148.1169.3-154.100113.1R1651 R1652E1649-R1651 VanDerWaalsContact C-N 3.28Å; E1649-R1651 PolarHBondContact O-N 3.2Å; E1649-R1651 VanDerWaalsContact O-N 3.09Å; E1649-R1652 PolarHBondContact O-N 2.91Å
1650L33.7Very low32.1Very low168.6 Ų168.6147 Ų14788%0.88375%0.747SS**THydrogen-bonded Turntrans-88.517.3177.2-133.3120.3000114.6D1648D1648-L1650 PolarHBondContact O-N 3.25Å
1651R31Very low31.6Very low205 Ų205147.6 Ų147.677%0.77475%0.754SS**THydrogen-bonded Turntrans-134.932.1176.8-145.4175.6-72.9171.9-2.1114.8D1648 E1649D1648-R1651 IonicContact OD1-CZ 2.73Å; D1648-R1651 IonicContact OD1-NH1 2.74Å; D1648-R1651 PolarHBondContact OD1-NH1 2.97Å; E1649-R1651 VanDerWaalsContact C-N 3.28Å; E1649-R1651 PolarHBondContact O-N 3.2Å; E1649-R1651 VanDerWaalsContact O-N 3.09Å
1652R30.7Very low31.5Very low226 Ų226144.9 Ų144.985%0.85376%0.763SS**  trans-132.345.1172.2-129.5-176.2-66-175.62.6114.1E1649 R1654E1649-R1652 PolarHBondContact O-N 2.91Å; R1652-R1654 PolarHBondContact O-N 3.18Å
1653V31.4Very low31.3Very low141.8 Ų141.8149.3 Ų149.386%0.85978%0.78SS**  trans-119.7117.8146.5-1770000110
1654R29.1Very low31.3Very low219.8 Ų219.8150.2 Ų150.283%0.82978%0.781SS**  trans-108.8132.8174.7-146.7-173-108.2163.7-0.6110R1652 T1656R1652-R1654 PolarHBondContact O-N 3.18Å; R1654-T1656 HydrophobicContact CG-CG2 4.27Å; R1654-T1656 PolarHBondContact O-N 2.97Å; R1654-T1656 VanDerWaalsContact O-N 3.16Å
1655P30.7Very low31.4Very low113.2 Ų113.2148.2 Ų148.274%0.73578%0.779SS**  trans-86.5147.5174.222.4-15.3000110.8S1657P1655-S1657 PolarHBondContact O-N 3.35Å
1656T30.2Very low31.5Very low127.6 Ų127.6149.9 Ų149.978%0.78378%0.781SS**  trans-134113.7171.434.20000109.4R1654 H1658R1654-T1656 HydrophobicContact CG-CG2 4.27Å; R1654-T1656 PolarHBondContact O-N 2.97Å; R1654-T1656 VanDerWaalsContact O-N 3.16Å; T1656-H1658 PolarHBondContact O-N 3.11Å; T1656-H1658 VanDerWaalsContact O-N 3.15Å
1657S31.2Very low31.6Very low97.6 Ų97.6150 Ų15068%0.68378%0.776SS**  trans-135.3126.4-166.152.50000111.3P1655P1655-S1657 PolarHBondContact O-N 3.35Å
1658H33.9Very low31.5Very low183.2 Ų183.2155.4 Ų155.485%0.84878%0.783SS**  trans-139.9127169.4-65.1-74000113.4T1656T1656-H1658 PolarHBondContact O-N 3.11Å; T1656-H1658 VanDerWaalsContact O-N 3.15Å
1659S31.6Very low31.4Very low108.2 Ų108.2158.4 Ų158.476%0.75779%0.787SS**  -179.5132.883.460.70000112.4
1660R30.4Very low31.2Very low235.4 Ų235.4158.1 Ų158.189%0.88879%0.786SS**  -172.5146.8114.8-107.5176.9174.4171.7-1.3113
1661S30.3Very low31Very low110 Ų110157.9 Ų157.977%0.76978%0.78SS**  trans81.2125.2144.758.60000117.3
1662A32.1Very low31.1Very low93.2 Ų93.2152.8 Ų152.877%0.7777%0.773SS**  -161.5147.6109.500000112
1663L31.4Very low31Very low158.8 Ų158.8151.1 Ų151.183%0.83177%0.772SS**  171.114285-107.1149.4000110.9
1664D31.3Very low30.8Very low140.8 Ų140.8154.6 Ų154.675%0.75377%0.771SS**  -154.2157.3124.8-105.6-25.4000114.2
1665S32Very low30.7Very low100.4 Ų100.4153.6 Ų153.670%0.70277%0.773SS**  trans115.2119.7146-107.70000113.6
1666D32.1Very low30.6Very low130.8 Ų130.8156 Ų15670%0.69978%0.775SS**  -146.8166.896.6-135.4-12.5000113.7
1667R29.1Very low30.5Very low196 Ų196157.1 Ų157.174%0.7477%0.773SS**  trans-57153.9179.7-64.4161.8-145.2-177.8-3115.3Y1669R1667-Y1669 HydrophobicContact CG-CD2 4.49Å; R1667-Y1669 HydrophobicContact CG-CE2 4.21Å
1668Y32.2Very low30.5Very low203.2 Ų203.2160.9 Ų160.980%0.79778%0.78SS**  -167.6135.793.3-110.3-96.2000113E1670Y1668-E1670 HydrophobicContact CD1-CG 4.24Å
1669Y31.8Very low30.2Very low188 Ų188159.5 Ų159.574%0.73777%0.773SS**  trans-79.2131.3150.8-97.1-104.5000114.3R1667 H1671R1667-Y1669 HydrophobicContact CG-CD2 4.49Å; R1667-Y1669 HydrophobicContact CG-CE2 4.21Å; Y1669-H1671 AromaticContact CD1-CD2 3.84Å
1670E28.5Very low30.1Very low172.8 Ų172.8160.7 Ų160.781%0.80777%0.771SS**  trans-125.8158.1140.9-88.6-171.6145.800110.3Y1668Y1668-E1670 HydrophobicContact CD1-CG 4.24Å
1671H30.1Very low30Very low163.8 Ų163.8158.8 Ų158.876%0.75876%0.764SS**  trans-154.3135.9163.8-140.4-25.4000112.4Y1669Y1669-H1671 AromaticContact CD1-CD2 3.84Å
1672P32.7Very low30.1Very low99 Ų99158.5 Ų158.564%0.64376%0.759SS**  trans-106.4155.7-166.131.1-22.7000114.1
1673K28.9Very low30Very low190 Ų190161.7 Ų161.783%0.82676%0.759SS**  trans178.6127.6134.7-77.2176.8179.4-178.50112
1674Y27.6Very low29.9Very low214.4 Ų214.4158.8 Ų158.884%0.84175%0.751SS**  48.9130.9106-79.9-80.5000113.4
1675F27.8Very low29.8Very low198.2 Ų198.2155 Ų15587%0.86975%0.745SS**  trans-147.9124.9158.6-131.4-89.7000109.5
1676E28.4Very low29.6Very low165 Ų165158.9 Ų158.977%0.77175%0.75SS**  trans-106.4152.1165.7-134.9167-164.100110.2H1678E1676-H1678 PolarHBondContact O-N 3.12Å
1677M26.4Very low29.5Very low150 Ų150158.6 Ų158.674%0.73975%0.752SS**  trans-120.8131.9-161.4-148.6176.9173.100109.8Q1679M1677-Q1679 PolarHBondContact O-N 3.34Å
1678H31.3Very low29.5Very low178.6 Ų178.6157 Ų15783%0.82776%0.758SS**  trans-135123.1149.6-95.1-74.7000113.1E1676E1676-H1678 PolarHBondContact O-N 3.12Å
1679Q28.2Very low29.3Very low152.2 Ų152.2150.2 Ų150.271%0.71175%0.75SS**  trans-104.4136.1-173.1178.1175.112.900110.5M1677M1677-Q1679 PolarHBondContact O-N 3.34Å
1680D29.9Very low29.3Very low134.2 Ų134.2150.6 Ų150.672%0.71876%0.758SS**  trans-135.3152.2149.6-112.4-46.1000112.8
1681R28.4Very low29.3Very low194.4 Ų194.4153.7 Ų153.773%0.73476%0.762SS**  trans-94.3144.7166.1-92172.2-171.6-165.30.8116
1682P31.9Very low29.2Very low103.8 Ų103.8156.5 Ų156.567%0.67477%0.766SS**  trans-103.8174.1146.534.1-27.2000112.9E1871P1682-E1871 HydrophobicContact CB-CB 4.22Å; P1682-E1871 HydrophobicContact CG-CB 4.44Å
1683H30Very low29.1Very low162.2 Ų162.2160.3 Ų160.375%0.75178%0.777SS**  trans-141.2146.4159.2-103.2-63.2000113.8Q1873H1683-Q1873 HydrophobicContact CB-CG 4.06Å; H1683-Q1873 PolarHBondContact CD2-NE2 2.9Å; H1683-Q1873 VanDerWaalsContact CD2-NE2 3.25Å; H1683-Q1873 PolarHBondContact NE2-NE2 3.46Å
1684S29.1Very low29.1Very low96 Ų96161.1 Ų161.167%0.67178%0.775SS**  trans-102.8146.6-174.250.40000114.2E1871 S1872S1684-E1871 WeakPolarHBondContact OG-CA 3.4Å; S1684-E1871 WeakPolarHBondContact OG-CB 3.43Å; S1684-E1871 WeakPolarHBondContact OG-CG 3.43Å; S1684-S1872 WeakPolarHBondContact CA-O 3.35Å; S1684-S1872 WeakPolarHBondContact CB-O 3.32Å; S1684-S1872 PolarHBondContact OG-N 2.8Å
1685G29.2Very low29.3Very low61.2 Ų61.2156.2 Ų156.263%0.63177%0.772SS**  trans132.4140.9147.800000114.1
1686F29.1Very low29.4Very low183.8 Ų183.8154.6 Ų154.681%0.80677%0.767SS**  trans-154.5144.6134.8-108.7-108.6000113.5N1751 P1752 L1753F1686-N1751 CarbonylContact C-O 2.86Å; F1686-N1751 VanDerWaalsContact CB-CA 3.48Å; F1686-P1752 HydrophobicContact CB-CB 4.19Å; F1686-P1752 HydrophobicContact CD1-CB 3.91Å; F1686-P1752 HydrophobicContact CD1-CG 4.33Å; F1686-P1752 HydrophobicContact CD2-CB 3.91Å; F1686-P1752 HydrophobicContact CE1-CB 4.24Å; F1686-P1752 HydrophobicContact CE2-CB 4.26Å; F1686-P1752 HydrophobicContact CG-CB 3.74Å; F1686-P1752 HydrophobicContact CZ-CB 4.41Å; F1686-L1753 HydrophobicContact CD2-CD2 4.43Å; F1686-L1753 HydrophobicContact CD2-CG 4.36Å; F1686-L1753 HydrophobicContact CE2-CD2 3.72Å; F1686-L1753 HydrophobicContact CE2-CG 3.88Å; F1686-L1753 HydrophobicContact CZ-CD2 4.44Å; F1686-L1753 HydrophobicContact CZ-CG 4.41Å
1687V28.8Very low29.7Very low123.8 Ų123.8152 Ų15275%0.7577%0.765SS**  trans-127.2132.5176.2169.50000113.6N1751 P1752V1687-N1751 CarbonylContact C-O 3.49Å; V1687-N1751 VanDerWaalsContact CA-O 3.23Å; V1687-N1751 WeakPolarHBondContact CA-O 3.37Å; V1687-N1751 PolarHBondContact N-O 3.19Å; V1687-N1751 VanDerWaalsContact O-O 3.08Å; V1687-P1752 CarbonylContact O-C 3.59Å; V1687-P1752 VanDerWaalsContact O-O 3.08Å
1688L30.3Very low30Very low162.2 Ų162.2151.5 Ų151.585%0.84976%0.76SS**  trans-168116.1162.6-101.7163000111.9N1751L1688-N1751 PolarHBondContact N-O 3.45Å
1689G28Very low30Very low61.4 Ų61.4152.2 Ų152.263%0.63376%0.761SS**  -162.8136.3122.700000115.3
1690H30.1Very low30.1Very low195 Ų195152.7 Ų152.790%0.90377%0.768SS**  trans-129.9124.2165.8-81.4-72.1000116.3
1691R30.2Very low30.2Very low238.2 Ų238.2155.7 Ų155.790%0.89977%0.769SS**  trans-110.8127.2159.1-87.8170.3-176.9-1760.4111.2
1692R28.1Very low30.3Very low223.8 Ų223.8154.6 Ų154.685%0.84577%0.772SS**  42.7110.5115.5-108.7-167.1-161.11780.6115.8R1694R1692-R1694 PolarHBondContact O-N 3.18Å
1693M29Very low30.4Very low177 Ų177157.8 Ų157.887%0.87278%0.778SS**  trans-124.4146.8131.7-81.3177.8-177.800109.9
1694R29.5Very low30.4Very low208.6 Ų208.6159.8 Ų159.879%0.78779%0.785SS**  -100.5129.3128.5-114.5-177.1-178.9155.61.8112E1489 E1493 R1692 H1696E1489-R1694 VanDerWaalsContact CD-NE 3.25Å; E1489-R1694 IonicContact OE1-CZ 3.69Å; E1489-R1694 IonicContact OE1-NE 2.83Å; E1489-R1694 PolarHBondContact OE1-NE 3.1Å; E1489-R1694 IonicContact OE1-NH2 2.77Å; E1489-R1694 PolarHBondContact OE1-NH2 3.45Å; E1489-R1694 IonicContact OE2-CZ 3.32Å; E1489-R1694 IonicContact OE2-NE 3.68Å; E1489-R1694 IonicContact OE2-NH2 3.73Å; E1489-R1694 PolarHBondContact OE2-NH2 3.01Å; E1493-R1694 WeakPolarHBondContact OE1-CD 3.34Å; E1493-R1694 IonicContact OE1-CZ 3.54Å; E1493-R1694 IonicContact OE1-NE 3.7Å; E1493-R1694 IonicContact OE1-NH1 2.96Å; E1493-R1694 PolarHBondContact OE1-NH1 3.47Å; R1692-R1694 PolarHBondContact O-N 3.18Å; R1694-H1696 PolarHBondContact O-N 3.27Å; R1694-H1696 VanDerWaalsContact O-N 3.08Å
1695S30.9Very low30.3Very low109.8 Ų109.8161.1 Ų161.177%0.76879%0.794SS**  trans35131170.638.50000114.3
1696H31.9Very low30.4Very low164.4 Ų164.4161.3 Ų161.376%0.76180%0.796SS**  -172.1147.6128.6-122.8-101.6000112.5R1694 E1698R1694-H1696 PolarHBondContact O-N 3.27Å; R1694-H1696 VanDerWaalsContact O-N 3.08Å; H1696-E1698 VanDerWaalsContact C-N 3.26Å; H1696-E1698 HydrophobicContact CB-CB 4.05Å; H1696-E1698 IonicContact CE1-OE1 3.02Å; H1696-E1698 PolarHBondContact CE1-OE1 3.44Å; H1696-E1698 VanDerWaalsContact ND1-CG 3.32Å; H1696-E1698 WeakPolarHBondContact ND1-CG 3.46Å; H1696-E1698 IonicContact ND1-OE1 3.54Å; H1696-E1698 IonicContact NE2-OE1 3.26Å; H1696-E1698 PolarHBondContact O-N 3.13Å
1697P33.9Very low30.4Very low112.4 Ų112.4160 Ų16073%0.7380%0.797SS**  trans-96.4113.1-165.735.6-31.2000113.2
1698E32.1Very low30.5Very low138 Ų138161.8 Ų161.865%0.64580%0.798SS**  trans-145.953.6172.2-78.6-158.3170.200113.5H1696 L1700 R1701H1696-E1698 VanDerWaalsContact C-N 3.26Å; H1696-E1698 HydrophobicContact CB-CB 4.05Å; H1696-E1698 IonicContact CE1-OE1 3.02Å; H1696-E1698 PolarHBondContact CE1-OE1 3.44Å; H1696-E1698 VanDerWaalsContact ND1-CG 3.32Å; H1696-E1698 WeakPolarHBondContact ND1-CG 3.46Å; H1696-E1698 IonicContact ND1-OE1 3.54Å; H1696-E1698 IonicContact NE2-OE1 3.26Å; H1696-E1698 PolarHBondContact O-N 3.13Å; E1698-L1700 VanDerWaalsContact C-N 3.27Å; E1698-L1700 PolarHBondContact O-N 3.25Å; E1698-L1700 VanDerWaalsContact O-N 3.09Å; E1698-R1701 HydrophobicContact CB-CB 4.17Å; E1698-R1701 HydrophobicContact CG-CB 3.8Å; E1698-R1701 WeakPolarHBondContact O-CB 3.31Å; E1698-R1701 PolarHBondContact O-N 3.13Å; E1698-R1701 VanDerWaalsContact O-N 3.1Å; E1698-R1701 WeakPolarHBondContact OE1-CD 3.35Å; E1698-R1701 IonicContact OE1-CZ 3.06Å; E1698-R1701 IonicContact OE1-NE 3.96Å; E1698-R1701 IonicContact OE1-NH1 3.9Å; E1698-R1701 PolarHBondContact OE1-NH1 2.99Å; E1698-R1701 WeakPolarHBondContact OE2-CD 3.33Å
1699F31.1Very low30.5Very low194.4 Ų194.4163.2 Ų163.285%0.85380%0.797SS**  trans-88.863.4160.4-103.2-95.5000116R1701F1699-R1701 VanDerWaalsContact C-N 3.34Å
1700L31.4Very low30.6Very low162.6 Ų162.6165.8 Ų165.885%0.85181%0.806SS**  trans-104.174.7160.4-85.4171.2000114.5E1698E1698-L1700 VanDerWaalsContact C-N 3.27Å; E1698-L1700 PolarHBondContact O-N 3.25Å; E1698-L1700 VanDerWaalsContact O-N 3.09Å
1701R30.9Very low30.5Very low197.4 Ų197.4161.3 Ų161.375%0.74580%0.796SS**  trans-16445.2174.4-140.7-177.9-160.5153.22.9118.2E1698 F1699E1698-R1701 HydrophobicContact CB-CB 4.17Å; E1698-R1701 HydrophobicContact CG-CB 3.8Å; E1698-R1701 WeakPolarHBondContact O-CB 3.31Å; E1698-R1701 PolarHBondContact O-N 3.13Å; E1698-R1701 VanDerWaalsContact O-N 3.1Å; E1698-R1701 WeakPolarHBondContact OE1-CD 3.35Å; E1698-R1701 IonicContact OE1-CZ 3.06Å; E1698-R1701 IonicContact OE1-NE 3.96Å; E1698-R1701 IonicContact OE1-NH1 3.9Å; E1698-R1701 PolarHBondContact OE1-NH1 2.99Å; E1698-R1701 WeakPolarHBondContact OE2-CD 3.33Å; F1699-R1701 VanDerWaalsContact C-N 3.34Å
1702Q31.8Very low30.4Very low170.4 Ų170.4156.1 Ų156.180%0.79679%0.791SS**SBendtrans-149.8110.4160.7-84174.8-19.300113.8
1703H33.8Very low30.5Very low171.8 Ų171.8151.3 Ų151.380%0.79579%0.786SS**  trans-103.968.8-180-92.2-79.5000114.9
1704F29Very low30.4Very low202.6 Ų202.6148.2 Ų148.289%0.88978%0.781SS**  trans-132.6106.2155.7-95.7-80.7000111.1
1705S28.2Very low30.5Very low124.2 Ų124.2145.7 Ų145.787%0.86978%0.782SS**  trans150.1118.5171-1500000111.2
1706G30.9Very low30.4Very low65.6 Ų65.6148.6 Ų148.668%0.67678%0.784SS**  cis-171156.8-4.900000112.4E1708G1706-E1708 PolarHBondContact O-N 3.42Å
1707N29.6Very low30.4Very low155.6 Ų155.6145.4 Ų145.483%0.83278%0.78SS**  trans-110.3145.5165.8-85.8-12.5000113.2
1708E31Very low30.3Very low162.4 Ų162.4147.7 Ų147.776%0.75979%0.786SS**  -125.9165.1128-86.2-179.9132.900114.4G1706G1706-E1708 PolarHBondContact O-N 3.42Å
1709K30.1Very low30.4Very low191.8 Ų191.8148.5 Ų148.583%0.83479%0.789SS**  trans-124.2148.7162.6-70163-177.21640114.1
1710S30.1Very low30.6Very low116.2 Ų116.2144 Ų14481%0.81378%0.78SS**  trans-177.2156.3152.2-129.10000113.5
1711S27.9Very low30.5Very low99.2 Ų99.2144.8 Ų144.869%0.69478%0.776SS**  151.4153.162.371.50000115.2
1712V28.3Very low30.6Very low130.6 Ų130.6139.9 Ų139.979%0.79278%0.778SS**  trans103.4135.7162.6167.30000114.1
1713V29.8Very low30.7Very low122.2 Ų122.2136.7 Ų136.774%0.74177%0.774SS**  158.8135.9103.4161.60000113.5I1715V1713-I1715 HydrophobicContact CG1-CB 4.48Å; V1713-I1715 HydrophobicContact CG1-CD1 4.02Å; V1713-I1715 HydrophobicContact CG1-CG1 4.03Å
1714S25.6Very low30.7Very low111.2 Ų111.2135.4 Ų135.478%0.77877%0.773SS**  trans-112.5148.2165.4-57.30000110.5
1715I31.7Very low30.9Very low157.4 Ų157.4130.2 Ų130.281%0.80776%0.762SS**  trans-168.7134.2153.8-65173.7000109.5V1713V1713-I1715 HydrophobicContact CG1-CB 4.48Å; V1713-I1715 HydrophobicContact CG1-CD1 4.02Å; V1713-I1715 HydrophobicContact CG1-CG1 4.03Å
1716E29.7Very low31.2Very low170.4 Ų170.4133 Ų13380%0.79676%0.759SS**  trans-141.7166.4-178.8-158.6124.5-171.400113
1717S31Very low31.2Very low97.6 Ų97.6137 Ų13768%0.68377%0.765SS**  trans2.8136172-8.30000116.2
1718D31.6Very low31.3Very low159.8 Ų159.8137.4 Ų137.486%0.85577%0.766SS**  -174.5155.182.8-96.8-29.2000115
1719E34.2Very low31.3Very low154.4 Ų154.4133.5 Ų133.572%0.72176%0.762SS**  trans-104.8167.3175.8-118.8-143.9103.900114K1721E1719-K1721 PolarHBondContact OE1-N 3.37Å; E1719-K1721 IonicContact OE1-NZ 2.68Å; E1719-K1721 PolarHBondContact OE1-NZ 3.29Å; E1719-K1721 IonicContact OE2-NZ 3.74Å
1720P35.2Very low31.3Very low100.6 Ų100.6132.1 Ų132.165%0.65376%0.763SS**  trans-124.9166.5177.639.8-26.7000116.1
1721K31.2Very low31.4Very low179.4 Ų179.4134.9 Ų134.978%0.7876%0.763SS**  trans109148.1144.4-70.3161.3-170.8151.20116.7E1719E1719-K1721 PolarHBondContact OE1-N 3.37Å; E1719-K1721 IonicContact OE1-NZ 2.68Å; E1719-K1721 PolarHBondContact OE1-NZ 3.29Å; E1719-K1721 IonicContact OE2-NZ 3.74Å
1722A32.6Very low31.7Very low95 Ų95135.4 Ų135.479%0.78576%0.763SS**  178.4159.3123.600000115.9
1723S33.4Very low31.8Very low101.8 Ų101.8134.1 Ų134.171%0.71276%0.76SS**  trans-154.5152.6136.654.60000114.2
1724D33.5Very low31.8Very low144.4 Ų144.4136.6 Ų136.677%0.77276%0.764SS**  92.8139112.2-82.5-47.4000117.6
1725S33.8Very low32Very low94.4 Ų94.4137.1 Ų137.166%0.6676%0.762SS**  116.4134.68869.80000118.5
1726K33.5Very low31.9Very low182.4 Ų182.4134.7 Ų134.779%0.79376%0.759SS**  trans76.1128.3144.5-67.3161.3-174.4165.70118.2
1727N32.2Very low31.9Very low149.2 Ų149.2131.3 Ų131.380%0.79875%0.754SS**  153.3144126.5-68.1-26.1000116.3
1728L31.2Very low31.8Very low164.6 Ų164.6132.6 Ų132.686%0.86275%0.753SS**  trans-151144.1132.6-124.367.8000114.5
1729A30Very low31.8Very low81.4 Ų81.4133.3 Ų133.367%0.67375%0.749SS**  105.9140.3115.500000117
1730L30.7Very low31.5Very low162.2 Ų162.2135.5 Ų135.585%0.84976%0.757SS**  trans161.6138.1137-117.773.1000116
1731H32.7Very low31.3Very low175.2 Ų175.2134.1 Ų134.181%0.81175%0.753SS**  trans64.4158.6156.4-104.2-98.9000116.6
1732P33.8Very low31.4Very low109.6 Ų109.6133.3 Ų133.371%0.71275%0.752SS**  trans-126.6176.8-141.542.5-27000114.3
1733S29.9Very low31.1Very low102.2 Ų102.2139.3 Ų139.372%0.71575%0.754SS**  trans-176.1143.3151.563.10000113.1
1734Q30.8Very low30.9Very low176.2 Ų176.2143.6 Ų143.682%0.82376%0.761SS**  trans113.9147.9157.1-69.9-177.614.400115.7
1735T29.2Very low30.8Very low120 Ų120142.5 Ų142.574%0.73676%0.759SS**  trans159.9135.2141.639.30000115.7
1736S30Very low30.6Very low107.4 Ų107.4145.7 Ų145.775%0.75176%0.764SS**  61.1135.6121.272.30000122
1737S29.2Very low30.4Very low99.4 Ų99.4146.7 Ų146.770%0.69576%0.762SS**  trans75.1133.1132.2-1410000118.4
1738D29.7Very low30.3Very low124.2 Ų124.2149.4 Ų149.466%0.66476%0.762SS**  150.6145.1119.3-96.7-37.2000118.7
1739K30.9Very low30.3Very low175.2 Ų175.2147.9 Ų147.976%0.76275%0.754SS**  trans63.6132.9146.6-71.3154.1-168.9145.50119.1
1740F28.6Very low30.5Very low201.4 Ų201.4152.3 Ų152.388%0.88376%0.761SS**  -164.4142.7128.2-144.1-100.8000113.6
1741A31.1Very low30.4Very low71 Ų71151.3 Ų151.359%0.58776%0.757SS**  trans-149.8151.5-162.800000115.7
1742H31.9Very low30.7Very low161.6 Ų161.6147.4 Ų147.475%0.74875%0.747SS**  trans90.1119.4149.5-80.3-70.3000117.9F1744H1742-F1744 AromaticContact ND1-CD2 3.9Å
1743R28.1Very low30.5Very low221.6 Ų221.6149.1 Ų149.184%0.83675%0.749SS**  108.9118.3116.5-99.6176.8-161.4-173.81114.6
1744F29.2Very low30.5Very low192.6 Ų192.6149.8 Ų149.885%0.84575%0.749SS**  172.5131.5114.2-108-85.7000113.1H1742H1742-F1744 AromaticContact ND1-CD2 3.9Å
1745T30.2Very low30.5Very low121.4 Ų121.4149.3 Ų149.375%0.74575%0.751SS**  trans165.7137.8170.445.30000116.5
1746E29.3Very low30.5Very low161.2 Ų161.2151.2 Ų151.275%0.75375%0.752SS**  trans152.9142.6160.9-91.6-172.4118.600113.2
1747R30.4Very low30.6Very low202.2 Ų202.2154.3 Ų154.376%0.76375%0.754SS**  166120.365-133.9171.7-149.3178.66.7112.6
1748R29.7Very low30.6Very low207.4 Ų207.4159.1 Ų159.178%0.78376%0.757SS**  72.2135.9120.8-89.4-177.4172.3135.84.1113.5
1749D31.1Very low30.7Very low132 Ų132158.5 Ų158.571%0.70676%0.76SS**  155.5145.788.1-87.6-33.9000112.7
1750Q33.9Very low30.7Very low174.8 Ų174.8160.1 Ų160.182%0.81776%0.762SS**  trans-156.6141.2159.4-75.5166.810.400114.3
1751N29.6Very low30.9Very low140.6 Ų140.6158.5 Ų158.575%0.75276%0.758SS**  trans85.9164.5152.4-90.4-16.5000113.6F1686 V1687 L1688F1686-N1751 CarbonylContact C-O 2.86Å; F1686-N1751 VanDerWaalsContact CB-CA 3.48Å; V1687-N1751 CarbonylContact C-O 3.49Å; V1687-N1751 VanDerWaalsContact CA-O 3.23Å; V1687-N1751 WeakPolarHBondContact CA-O 3.37Å; V1687-N1751 PolarHBondContact N-O 3.19Å; V1687-N1751 VanDerWaalsContact O-O 3.08Å; L1688-N1751 PolarHBondContact N-O 3.45Å
1752P37.9Very low30.9Very low93.6 Ų93.6161.1 Ų161.161%0.60877%0.766SS**  -127.5-173.6-69.534.3-17.2000114.7F1686 V1687F1686-P1752 HydrophobicContact CB-CB 4.19Å; F1686-P1752 HydrophobicContact CD1-CB 3.91Å; F1686-P1752 HydrophobicContact CD1-CG 4.33Å; F1686-P1752 HydrophobicContact CD2-CB 3.91Å; F1686-P1752 HydrophobicContact CE1-CB 4.24Å; F1686-P1752 HydrophobicContact CE2-CB 4.26Å; F1686-P1752 HydrophobicContact CG-CB 3.74Å; F1686-P1752 HydrophobicContact CZ-CB 4.41Å; V1687-P1752 CarbonylContact O-C 3.59Å; V1687-P1752 VanDerWaalsContact O-O 3.08Å
1753L30.4Very low30.9Very low144.8 Ų144.8161.5 Ų161.576%0.75877%0.768SS**  146.6141.3126.6-95.4163.1000117.3F1686F1686-L1753 HydrophobicContact CD2-CD2 4.43Å; F1686-L1753 HydrophobicContact CD2-CG 4.36Å; F1686-L1753 HydrophobicContact CE2-CD2 3.72Å; F1686-L1753 HydrophobicContact CE2-CG 3.88Å; F1686-L1753 HydrophobicContact CZ-CD2 4.44Å; F1686-L1753 HydrophobicContact CZ-CG 4.41Å
1754T29.6Very low31Very low118 Ų118161.6 Ų161.672%0.72477%0.769SS**  trans34.5138.6154.553.20000120.5
1755L30.9Very low31.2Very low164.8 Ų164.8162.1 Ų162.186%0.86377%0.765SS**  trans-160.6143132.3-148.868.8000114.3H1757L1755-H1757 PolarHBondContact O-N 2.97Å
1756H29.7Very low31.3Very low160.6 Ų160.6163 Ų16374%0.74476%0.764SS**  trans-24.1118.2166-124.7-68.1000117.3
1757H31.1Very low31.4Very low171.2 Ų171.2164.1 Ų164.179%0.79377%0.767SS**  trans-68.2115.7145.9-108-70.7000114.4L1755L1755-H1757 PolarHBondContact O-N 2.97Å
1758R29.8Very low31.4Very low201 Ų201159.8 Ų159.876%0.75877%0.768SS**  trans47.2148.7136-77.6-169.3175.6-168.5-1.3114.3Y1760R1758-Y1760 PolarHBondContact O-N 2.88Å
1759P31.6Very low31.5Very low111.6 Ų111.6154.4 Ų154.473%0.72577%0.767SS**  trans-95162.7-172.737-32.7000112.4E1761P1759-E1761 VanDerWaalsContact C-N 3.31Å; P1759-E1761 HydrophobicContact CG-CG 3.98Å; P1759-E1761 PolarHBondContact O-N 3.04Å
1760Y31Very low31.5Very low208.2 Ų208.2154.1 Ų154.182%0.81678%0.776SS**  trans-99.4126.8169.9-85.7-85.7000112.2R1758 T1762R1758-Y1760 PolarHBondContact O-N 2.88Å; Y1760-T1762 PolarHBondContact O-N 3.03Å; Y1760-T1762 VanDerWaalsContact O-N 3.07Å
1761E32Very low31.5Very low169.2 Ų169.2149.2 Ų149.279%0.79177%0.772SS**  trans-77.3144.8164.4-73168112.100113.8P1759P1759-E1761 VanDerWaalsContact C-N 3.31Å; P1759-E1761 HydrophobicContact CG-CG 3.98Å; P1759-E1761 PolarHBondContact O-N 3.04Å
1762T31.9Very low31.6Very low124.4 Ų124.4147 Ų14776%0.76377%0.774SS**  trans-159.8106161.552.70000113.2Y1760 R1764Y1760-T1762 PolarHBondContact O-N 3.03Å; Y1760-T1762 VanDerWaalsContact O-N 3.07Å; T1762-R1764 PolarHBondContact O-N 3.18Å
1763H31.8Very low31.4Very low169.4 Ų169.4150 Ų15078%0.78478%0.783SS**  trans-65.6128.7155.3-94.5-63.8000114R1765H1763-R1765 HydrophobicContact CB-CG 4.42Å; H1763-R1765 PolarHBondContact O-N 2.96Å
1764R31Very low31.5Very low225 Ų225152.2 Ų152.285%0.84979%0.786SS**  trans-112.4102.7156.1-131.4178.9-171.4-179.34.5112.2T1762T1762-R1764 PolarHBondContact O-N 3.18Å
1765R32Very low31.8Very low201.8 Ų201.8152.1 Ų152.176%0.76279%0.788SS**  trans-103.4138.3155.8-90.4-178.7172.1179.3-3110.8H1763H1763-R1765 HydrophobicContact CB-CG 4.42Å; H1763-R1765 PolarHBondContact O-N 2.96Å
1766L31.8Very low31.9Very low140.6 Ų140.6150.4 Ų150.474%0.73679%0.785SS**  trans-28.3141165.2-67.6163.7000112
1767F32.1Very low32Very low185.4 Ų185.4151.4 Ų151.481%0.81379%0.787SS**  -130.2129.7119.3-84.7-76.5000110.7
1768S30.6Very low32.2Very low112.4 Ų112.4149.5 Ų149.579%0.78678%0.782SS**  -39.1143.2127.4-107.30000111.7
1769A31.6Very low32.3Very low92.2 Ų92.2151.1 Ų151.176%0.76279%0.788SS**  trans-126143.3171.400000112.5
1770S31.6Very low32.6Very low126.4 Ų126.4150.8 Ų150.888%0.88479%0.787SS**  trans-177.2147.1169.2-68.70000114.4
1771G34.2Very low32.6Very low72.2 Ų72.2146 Ų14674%0.74478%0.783SS**  trans103.4107.2166.400000114.6
1772A31.6Very low32.7Very low94.6 Ų94.6143.2 Ų143.278%0.78278%0.783SS**  75.112383.700000112.5
1773I33.3Very low33Very low156.4 Ų156.4142.3 Ų142.380%0.80278%0.779SS**  92.413289.8-69.6161.7000114.4
1774F33.3Very low33.2Very low190.4 Ų190.4141.2 Ų141.284%0.83577%0.774SS**  trans-77.8162.9163-81.7-90.1000113.8
1775P35.1Very low33.3Very low116 Ų116138.2 Ų138.275%0.75377%0.767SS**  trans-114.5156.7145.238-28.7000114.8
1776T33.2Very low33.4Very low129.4 Ų129.4133.1 Ų133.179%0.79476%0.763SS**  trans-115145.9164.241.10000113.5
1777K32.5Very low33.6Very low181.8 Ų181.8132.5 Ų132.579%0.7977%0.765SS**  trans117.7132.8134.9-118.6176.7163.3-143.90115.9
1778D35.2Very low33.6Very low130.6 Ų130.6129.5 Ų129.570%0.69876%0.762SS**  trans96.4125.5135.4-81.2-32.7000119
1779R31.3Very low33.8Very low234.8 Ų234.8129.7 Ų129.789%0.88676%0.757SS**  trans52.9171.5143.5-98-176.9168.5178.4-3.5117.9
1780P37.3Very low34Very low106.4 Ų106.4133.9 Ų133.969%0.69176%0.759SS**  -138.1-176.3-61.741.8-22.5000116.6
1781S31.8Very low34Very low106.6 Ų106.6132.5 Ų132.575%0.74575%0.749SS**  trans79.4128154.354.30000117.8
1782S32.8Very low34.1Very low110.6 Ų110.6135 Ų13577%0.77375%0.75SS**  61.6148.965.2-1520000115.4E1784S1782-E1784 PolarHBondContact OG-N 3.3Å
1783P39.9Very low34.1Very low106.2 Ų106.2136.1 Ų136.169%0.6975%0.747SS**  cis-129.8-173.58.735.4-16.9000114.1
1784E34.2Very low34Very low144.8 Ų144.8139.8 Ų139.868%0.67775%0.75SS**  trans83157.4141.4-77.8-152.7128.700117.4S1782S1782-E1784 PolarHBondContact OG-N 3.3Å
1785K34.7Very low33.9Very low162.6 Ų162.6135 Ų13571%0.70774%0.74SS**  cis165.614315-100.7171.4-169.7156.70110.8
1786S33.3Very low33.9Very low95 Ų95137 Ų13766%0.66474%0.74SS**  cis154.4156.313.763.40000113.4
1787T35.2Very low33.8Very low128.2 Ų128.2140.3 Ų140.379%0.78774%0.737SS**  trans110.2150.2140.245.60000114.9
1788V34Very low33.7Very low122.6 Ų122.6141.3 Ų141.374%0.74374%0.736SS**  cis-174.5132.71.3136.40000111.4
1789V34.5Very low33.5Very low115.4 Ų115.4140.9 Ų140.970%0.69974%0.739SS**  81.3139120151.90000115.7
1790K34.7Very low33.8Very low181 Ų181135 Ų13579%0.78773%0.731SS**  cis-144.7140.730.2-110150.4-172.4176.30112.5
1791S32.5Very low33.5Very low96.6 Ų96.6139.4 Ų139.468%0.67674%0.739SS**  60.9137.9106.881.80000115.7
1792T34.6Very low33.5Very low124.2 Ų124.2139.4 Ų139.476%0.76274%0.739SS**  -176.2145.454.3-29.40000111.2
1793V33.6Very low33.5Very low118.6 Ų118.6139.1 Ų139.172%0.71974%0.737SS**  cis166.9152.327.3144.80000113.1
1794R30.5Very low33.1Very low233.8 Ų233.8141.8 Ų141.888%0.88275%0.745SS**  trans165.3154.1133.3-118.1171.8-177.3154.5-0.3111.9
1795S32Very low33.1Very low89.6 Ų89.6140 Ų14063%0.62775%0.748SS**  -17015385.4-169.70000111.6
1796H34.2Very low33Very low159.2 Ų159.2141.8 Ų141.874%0.73776%0.756SS**  92152.4126.4-86-34.1000116.7
1797R30.4Very low33.2Very low197 Ų197142.7 Ų142.774%0.74376%0.76SS**  115.5136.494.7-120.5175.6-173-174.92.8116.7
1798R31.8Very low33.1Very low202.6 Ų202.6141.8 Ų141.877%0.76576%0.759SS**  74.2131.9109.5-97.4174.7-175.4171.9-1.3118.7
1799T31.1Very low33.5Very low122.4 Ų122.4141.6 Ų141.675%0.75176%0.76SS**  trans23.4159.814962.40000117.3
1800P37.2Very low33.8Very low111.8 Ų111.8141.4 Ų141.473%0.72676%0.761SS**  cis-133.9173.98.338-22000115.2
1801K30.7Very low33.7Very low198.2 Ų198.2142.4 Ų142.486%0.86277%0.765SS**  trans57.7141147.2-73.8-179.9178.6-175.90116.8
1802S31.9Very low33.8Very low106.6 Ų106.6141.9 Ų141.975%0.74577%0.767SS**  -148.5151.6128.749.80000116.3
1803S32.7Very low33.8Very low105.4 Ų105.4145.4 Ų145.474%0.73778%0.775SS**  39.7142.292.248.30000115.4
1804L31.4Very low33.8Very low161.4 Ų161.4143 Ų14385%0.84577%0.774SS**  148.5141.489.1-166.667.5000113.9
1805S34.9Very low33.9Very low107 Ų107138.4 Ų138.475%0.74877%0.772SS**  trans108.3147.4149.952.30000117.1
1806K32.7Very low33.9Very low200.6 Ų200.6138.9 Ų138.987%0.87278%0.775SS**  trans-135166.5143.4-93.8-178176.9-179.40111.1
1807P36.6Very low33.8Very low115 Ų115139.5 Ų139.575%0.74778%0.778SS**  -128.3-172.1-95.635.3-17.2000115.6
1808S33.4Very low33.9Very low108.8 Ų108.8135.8 Ų135.876%0.76178%0.777SS**  trans162.5151.8145.220.30000116.6
1809P42.2Very low33.8Very low118.8 Ų118.8133.4 Ų133.477%0.77178%0.775SS**  trans-110.4-168.4-179.844.2-35.1000112.4
1810P40.3Very low33.7Very low110 Ų110137.6 Ų137.671%0.71478%0.778SS**  cis-135.117422.539.2-21.8000115.6
1811K32.5Very low33.8Very low202.6 Ų202.6137.7 Ų137.788%0.88178%0.779SS**  trans118125.5131.8-81.7176.9-179.7-177.70116.6
1812A35.1Very low33.7Very low86.8 Ų86.8135.3 Ų135.372%0.71777%0.774SS**  trans116.9157.3141.300000116.5
1813H33.9Very low33.7Very low198 Ų198138 Ų13892%0.91778%0.779SS**  trans174151.4-167.9-69.8-80000114.7
1814G34.8Very low33.7Very low68.2 Ų68.2136.9 Ų136.970%0.70378%0.776SS**  trans141.3118.7173.700000113.5
1815T32.4Very low33.7Very low137.2 Ų137.2136.6 Ų136.684%0.84278%0.775SS**  trans57.2137.4144.556.90000115.6
1816S31.8Very low33.5Very low100 Ų100140.3 Ų140.370%0.69978%0.778SS**  cis167.8159.64049.40000114.5
1817H31.7Very low33.4Very low170.4 Ų170.4137.8 Ų137.879%0.78977%0.772SS**  trans75157159-85.9-95.1000116.3
1818V32.8Very low33.3Very low119 Ų119137.8 Ų137.872%0.72177%0.77SS**  cis-174.5149.136.6-170.50000111.2Y1820V1818-Y1820 HydrophobicContact CG1-CD2 4.1Å; V1818-Y1820 HydrophobicContact CG1-CE2 3.91Å
1819E29.4Very low33.1Very low153.6 Ų153.6141.7 Ų141.772%0.71878%0.776SS**  cis-161.4154.130.4-161.4154.6174.400112.9
1820Y29.8Very low32.5Very low209.2 Ų209.2139.4 Ų139.482%0.8278%0.775SS**  trans-144.8145.5171.4-80.6-85.3000111.6V1818 I1822V1818-Y1820 HydrophobicContact CG1-CD2 4.1Å; V1818-Y1820 HydrophobicContact CG1-CE2 3.91Å; Y1820-I1822 VanDerWaalsContact O-CD1 3.29Å; Y1820-I1822 WeakPolarHBondContact O-CD1 3.34Å; Y1820-I1822 VanDerWaalsContact O-CG1 3.28Å; Y1820-I1822 WeakPolarHBondContact O-CG1 3.34Å
1821P38.3Very low32Very low115.6 Ų115.6141.3 Ų141.375%0.75178%0.779SS**  trans-108.7140.4159.836-27.6000111.7
1822I29.1Very low31.8Very low147 Ų147138.2 Ų138.275%0.75477%0.772SS**  cis97.9129.641-60.3167.6000112.7Y1820Y1820-I1822 VanDerWaalsContact O-CD1 3.29Å; Y1820-I1822 WeakPolarHBondContact O-CD1 3.34Å; Y1820-I1822 VanDerWaalsContact O-CG1 3.28Å; Y1820-I1822 WeakPolarHBondContact O-CG1 3.34Å
1823I31.9Very low31.5Very low164.2 Ų164.2139.6 Ų139.684%0.84278%0.776SS**  trans140.5141.9166.7-73164.8000113.2
1824A32.6Very low31.2Very low81.8 Ų81.8140.1 Ų140.168%0.67677%0.77SS**  trans-167.5144.7-151.500000114.9
1825N31Very low30.9Very low155.4 Ų155.4144.1 Ų144.183%0.83177%0.771SS**  trans58.4143.6157.5-70.7-17.7000117.1
1826K31.6Very low30.8Very low185 Ų185140.7 Ų140.780%0.80476%0.762SS**  -165.6136.9112.7-130.4175.2178.1-175.80108.5
1827I31.1Very low30.7Very low146.2 Ų146.2143.2 Ų143.275%0.7577%0.768SS**  60.9123.7106.7-35.9167.4000112.1
1828T32.7Very low30.5Very low116.8 Ų116.8139.7 Ų139.772%0.71776%0.763SS**  -176.1163.454.4-47.90000112.2
1829E29.4Very low30.4Very low189 Ų189140.7 Ų140.788%0.88376%0.759SS**  trans-43.1160.1177-56.2157.317200116.5
1830G31.2Very low30.4Very low72.2 Ų72.2140.2 Ų140.274%0.74476%0.755SS**  trans169.5133.7136.500000115
1831N29.2Very low30.3Very low149.4 Ų149.4135.5 Ų135.580%0.79975%0.747SS**  trans15.6140.8167.9-74.4-22000118.7
1832N28.3Very low29.8Very low137.8 Ų137.8138.2 Ų138.274%0.73775%0.748SS**  trans83.8133.8131.9-70.1-18.9000120
1833S28.8Very low29.7Very low114.6 Ų114.6136.9 Ų136.980%0.80175%0.747SS**  trans83.3145149.4-15.30000117.4
1834R28.4Very low29.5Very low209.4 Ų209.4134.8 Ų134.879%0.7974%0.742SS**  cis158.8151.117.3-156.1172154.8157.20.8113.7
1835E28.3Very low29.4Very low152.6 Ų152.6136.7 Ų136.771%0.71375%0.745SS**  trans23.3155.5168.7-64.4140.5164.100115.6
1836G29.6Very low29.2Very low64.6 Ų64.6136.3 Ų136.367%0.66674%0.743SS**  cis167.6166-6.400000112.5
1837N29.4Very low29.1Very low153.8 Ų153.8133 Ų13382%0.82274%0.743SS**  trans73.1136153-80.6-1.1000118.8
1838S28.6Very low29Very low96.2 Ų96.2131 Ų13167%0.67374%0.742SS**  102.8133.3123-132.90000115.2
1839E29.4Very low28.9Very low140.6 Ų140.6133.6 Ų133.666%0.65775%0.746SS**  122.3154.2107.1-76.5-166.8146.100115.1
1840K29.2Very low28.8Very low142.6 Ų142.6131.2 Ų131.262%0.6274%0.738SS**  cis-161.8129.6-3.7-105.7170.3-162.1150.60110.2
1841V28.1Very low28.7Very low110 Ų110133.8 Ų133.867%0.66774%0.739SS**  172.4141.1125.3164.50000112.4
1842F27.3Very low28.7Very low173.4 Ų173.4133.8 Ų133.876%0.76173%0.734SS**  trans-147.1147.8154.5-135.7-103.3000113.5V1844F1842-V1844 HydrophobicContact CE1-CG2 4.34Å
1843T27.4Very low28.8Very low118.8 Ų118.8131.9 Ų131.973%0.72973%0.732SS**  trans-144.3140.3178.941.10000111.2
1844V28.3Very low28.8Very low121 Ų121136.5 Ų136.573%0.73373%0.732SS**  trans-143.9123.7157.3169.30000109.1F1842F1842-V1844 HydrophobicContact CE1-CG2 4.34Å
1845T29.2Very low28.8Very low120.6 Ų120.6135.8 Ų135.874%0.7473%0.734SS**  157.8136.7108.146.50000112.7
1846D26.9Very low28.8Very low148.6 Ų148.6135 Ų13580%0.79574%0.74SS**  trans-38.3157.7159.1-66-54.5000116.9
1847S31.3Very low28.8Very low115.8 Ų115.8135 Ų13581%0.8174%0.74SS**  164139.1127.5-73.70000114.5
1848S28.6Very low28.7Very low103.6 Ų103.6133.9 Ų133.972%0.72474%0.739SS**  trans-73.6158.217033.50000116.4
1849E29.6Very low28.9Very low171 Ų171137.7 Ų137.780%0.79975%0.746SS**  166.6143.2119.6-72.2-174.6145.700114.6
1850I28.7Very low29.1Very low139.4 Ų139.4135.4 Ų135.472%0.71574%0.743SS**  cis99.1138.147.2-79.3168.5000114
1851V29Very low29.2Very low125.8 Ų125.8136.8 Ų136.876%0.76275%0.751SS**  116.3128.4115.9153.20000116.1
1852E28Very low29.2Very low148.8 Ų148.8138 Ų13870%0.69575%0.754SS**  trans90.9146.5144.6-115.9-168.9132.700118.3R1854E1852-R1854 IonicContact OE1-CZ 2.8Å; E1852-R1854 VanDerWaalsContact OE1-CZ 3.31Å; E1852-R1854 IonicContact OE1-NE 3.31Å; E1852-R1854 PolarHBondContact OE1-NE 3.17Å; E1852-R1854 IonicContact OE1-NH2 3.23Å; E1852-R1854 PolarHBondContact OE1-NH2 2.78Å; E1852-R1854 IonicContact OE2-NH2 2.74Å; E1852-R1854 PolarHBondContact OE2-NH2 3.5Å
1853S30.2Very low29.3Very low99 Ų99136.9 Ų136.969%0.69275%0.754SS**  -146.4161.7126.558.40000113.8
1854R28.5Very low29.3Very low211.6 Ų211.6138.6 Ų138.680%0.79876%0.757SS**  trans169148.4164.2-70.3176.2-160.8-164.53.9114.5E1852E1852-R1854 IonicContact OE1-CZ 2.8Å; E1852-R1854 VanDerWaalsContact OE1-CZ 3.31Å; E1852-R1854 IonicContact OE1-NE 3.31Å; E1852-R1854 PolarHBondContact OE1-NE 3.17Å; E1852-R1854 IonicContact OE1-NH2 3.23Å; E1852-R1854 PolarHBondContact OE1-NH2 2.78Å; E1852-R1854 IonicContact OE2-NH2 2.74Å; E1852-R1854 PolarHBondContact OE2-NH2 3.5Å
1855F28.9Very low29.4Very low193.2 Ų193.2139.1 Ų139.185%0.84776%0.761SS**  trans-156.9149.1139.6-116.4-87.5000111.5
1856T29.1Very low29.3Very low137.2 Ų137.2142.8 Ų142.884%0.84277%0.767SS**  trans93.9147.115962.10000115
1857G29.1Very low29.4Very low63.2 Ų63.2140 Ų14065%0.65276%0.764SS**  trans158.5132.5160.300000113.7
1858T28.5Very low29.4Very low130.6 Ų130.6140.4 Ų140.480%0.80176%0.764SS**  67.2133.797.344.20000116.1
1859H31Very low29.3Very low177.6 Ų177.6143.8 Ų143.882%0.82277%0.768SS**  -159.4176.387.3-101.2-58.4000112.7
1860P34.9Very low29.2Very low92.4 Ų92.4140.9 Ų140.960%0.677%0.767SS**  -122.6-174.4-11135.9-17.7000114.4
1861H30.8Very low29.1Very low170.2 Ų170.2141.4 Ų141.479%0.78877%0.766SS**  trans142.2145.9150.7-84.5-64000115.8
1862N27.1Very low29Very low135.8 Ų135.8139.7 Ų139.773%0.72676%0.76SS**  trans-133.1156.7146.9-82.8-12.6000114.2
1863I29.6Very low29.1Very low150 Ų150139.6 Ų139.677%0.76976%0.759SS**  trans113.6127.7152.5-72.3166.1000115.1T1865I1863-T1865 HydrophobicContact CG2-CG2 4.45Å; I1863-T1865 WeakPolarHBondContact CG2-OG1 3.33Å
1864I27.8Very low29Very low155 Ų155140.9 Ų140.980%0.79576%0.755SS**  trans-135.7117.3156-58.3173.5000112.2
1865T30.1Very low29Very low131.2 Ų131.2136 Ų13681%0.80575%0.748SS**  trans-137.4137.4152.26.50000112.2I1863I1863-T1865 HydrophobicContact CG2-CG2 4.45Å; I1863-T1865 WeakPolarHBondContact CG2-OG1 3.33Å
1866K28.7Very low29Very low199.6 Ų199.6132.9 Ų132.987%0.86874%0.74SS**  trans-107.8137.1164.8-73.8-179.7178.9-177.10115.5
1867A28.9Very low29.1Very low88.2 Ų88.2132.1 Ų132.173%0.72973%0.731SS**  trans-80.6166.8151.300000112.7
1868P30.1Very low29.1Very low125.8 Ų125.8136.5 Ų136.582%0.81774%0.735SS**  -133.8177.882.234.3-20.5000114.6
1869Q26.3Very low29.1Very low173.6 Ų173.6138.6 Ų138.681%0.81173%0.733SS**  trans-93155.1175.3-69.3164.4-55.100113.3E1871Q1869-E1871 WeakPolarHBondContact CA-OE1 3.23Å; Q1869-E1871 WeakPolarHBondContact CB-OE1 3.31Å; Q1869-E1871 WeakPolarHBondContact CB-OE2 3.4Å; Q1869-E1871 WeakPolarHBondContact CG-OE2 3.44Å; Q1869-E1871 PolarHBondContact NE2-OE2 3.49Å
1870S27.3Very low29Very low110.8 Ų110.8136.1 Ų136.178%0.77573%0.725SS**  trans160.6132.1147.866.70000112.2
1871E27Very low28.6Very low149.8 Ų149.8140.1 Ų140.170%0.773%0.734SS**  trans-139.8148.2130.9-103.8166.2-172.200115.1P1682 S1684 Q1869P1682-E1871 HydrophobicContact CB-CB 4.22Å; P1682-E1871 HydrophobicContact CG-CB 4.44Å; S1684-E1871 WeakPolarHBondContact OG-CA 3.4Å; S1684-E1871 WeakPolarHBondContact OG-CB 3.43Å; S1684-E1871 WeakPolarHBondContact OG-CG 3.43Å; Q1869-E1871 WeakPolarHBondContact CA-OE1 3.23Å; Q1869-E1871 WeakPolarHBondContact CB-OE1 3.31Å; Q1869-E1871 WeakPolarHBondContact CB-OE2 3.4Å; Q1869-E1871 WeakPolarHBondContact CG-OE2 3.44Å; Q1869-E1871 PolarHBondContact NE2-OE2 3.49Å
1872S28Very low28.4Very low89.8 Ų89.8136.2 Ų136.263%0.62873%0.725SS**  trans-117154.7166.465.50000116.2S1684S1684-S1872 WeakPolarHBondContact CA-O 3.35Å; S1684-S1872 WeakPolarHBondContact CB-O 3.32Å; S1684-S1872 PolarHBondContact OG-N 2.8Å
1873Q28.4Very low28.4Very low146 Ų146138.5 Ų138.568%0.68273%0.725SS**  -142.9139.9127.5-82.2179.88.600115.1H1683H1683-Q1873 HydrophobicContact CB-CG 4.06Å; H1683-Q1873 PolarHBondContact CD2-NE2 2.9Å; H1683-Q1873 VanDerWaalsContact CD2-NE2 3.25Å; H1683-Q1873 PolarHBondContact NE2-NE2 3.46Å
1874H28.3Very low28.4Very low127.2 Ų127.2135.3 Ų135.359%0.58972%0.716SS**  trans-90.2143.2155.7-94.5-90.8000113.3Y2370 E2372 L2373 R2722H1874-Y2370 HydrophobicContact CB-CD1 4.11Å; H1874-Y2370 WeakPolarHBondContact O-CD1 3.36Å; H1874-Y2370 WeakPolarHBondContact O-CE1 3.41Å; H1874-E2372 IonicContact CE1-OE1 3.2Å; H1874-E2372 PolarHBondContact CE1-OE1 2.84Å; H1874-E2372 IonicContact CE1-OE2 3.15Å; H1874-E2372 PolarHBondContact CE1-OE2 3.26Å; H1874-E2372 IonicContact CG-OE1 3.35Å; H1874-E2372 IonicContact ND1-OE1 3.16Å; H1874-E2372 PolarHBondContact ND1-OE1 2.82Å; H1874-E2372 IonicContact ND1-OE2 2.7Å; H1874-L2373 HydrophobicContact CB-CD1 3.74Å; H1874-L2373 HydrophobicContact CB-CG 3.93Å; H1874-R2722 PolarHBondContact NE2-NH1 3.01Å
1875T29.9Very low28.5Very low108.4 Ų108.4136.1 Ų136.167%0.66571%0.711SS**  -141.8119.7112.536.20000110.1D1877 Y2370T1875-D1877 PolarHBondContact O-N 3.19Å; T1875-Y2370 HydrophobicContact CG2-CE1 4.39Å
1876N28.1Very low28.5Very low127.8 Ų127.8137 Ų13768%0.68370%0.703SS**  trans-106114.6160.7-80.81.3000111.9Q1878N1876-Q1878 PolarHBondContact O-N 3.38Å; N1876-Q1878 VanDerWaalsContact O-N 3.08Å
1877D31Very low28.7Very low121.2 Ų121.2133.5 Ų133.565%0.64869%0.694SS**  trans-140.195.8169.8-118.1-1.7000111.3T1875 K1879 I2249 R2408T1875-D1877 PolarHBondContact O-N 3.19Å; D1877-K1879 VanDerWaalsContact C-N 3.3Å; D1877-K1879 HydrophobicContact CB-CD 4.46Å; D1877-K1879 VanDerWaalsContact CG-CE 3.45Å; D1877-K1879 PolarHBondContact O-N 3.26Å; D1877-K1879 VanDerWaalsContact OD1-CE 3.26Å; D1877-K1879 WeakPolarHBondContact OD1-CE 3.33Å; D1877-K1879 IonicContact OD1-NZ 3.18Å; D1877-K1879 WeakPolarHBondContact OD2-CE 3.34Å; D1877-K1879 IonicContact OD2-NZ 3.19Å; D1877-K1879 PolarHBondContact OD2-NZ 3Å; D1877-I2249 HydrophobicContact CB-CD1 4.36Å; D1877-R2408 IonicContact OD1-NH2 3.39Å; D1877-R2408 PolarHBondContact OD1-NH2 2.89Å; D1877-R2408 IonicContact OD2-NH2 2.92Å; D1877-R2408 PolarHBondContact OD2-NH2 2.81Å
1878Q28.8Very low28.8Very low156.2 Ų156.2136.3 Ų136.373%0.7370%0.697SS**  trans-118.4107.5177.6-160.8172.515.400110.4N1876 N1880N1876-Q1878 PolarHBondContact O-N 3.38Å; N1876-Q1878 VanDerWaalsContact O-N 3.08Å; Q1878-N1880 VanDerWaalsContact C-N 3.25Å; Q1878-N1880 PolarHBondContact O-N 3.23Å; Q1878-N1880 VanDerWaalsContact O-N 3.16Å
1879K29.2Very low28.8Very low174.2 Ų174.2133.2 Ų133.276%0.75769%0.688SS**  trans-73.3113.7173.3-75.9175.1174.11660111.8D1877 F1881D1877-K1879 VanDerWaalsContact C-N 3.3Å; D1877-K1879 HydrophobicContact CB-CD 4.46Å; D1877-K1879 VanDerWaalsContact CG-CE 3.45Å; D1877-K1879 PolarHBondContact O-N 3.26Å; D1877-K1879 VanDerWaalsContact OD1-CE 3.26Å; D1877-K1879 WeakPolarHBondContact OD1-CE 3.33Å; D1877-K1879 IonicContact OD1-NZ 3.18Å; D1877-K1879 WeakPolarHBondContact OD2-CE 3.34Å; D1877-K1879 IonicContact OD2-NZ 3.19Å; D1877-K1879 PolarHBondContact OD2-NZ 3Å; K1879-F1881 VanDerWaalsContact C-N 3.28Å; K1879-F1881 PolarHBondContact O-N 3.03Å
1880N27.7Very low29.1Very low124 Ų124133.5 Ų133.566%0.66369%0.689SS**  trans-82.3126.9168.6-78.6-12.9000109.7Q1878 S1882 R2592Q1878-N1880 VanDerWaalsContact C-N 3.25Å; Q1878-N1880 PolarHBondContact O-N 3.23Å; Q1878-N1880 VanDerWaalsContact O-N 3.16Å; N1880-S1882 VanDerWaalsContact C-N 3.25Å; N1880-S1882 PolarHBondContact O-N 3.05Å; N1880-R2592 PolarHBondContact ND2-O 3.19Å
1881F27.3Very low29.3Very low177.8 Ų177.8135.5 Ų135.578%0.7869%0.686SS**  trans-99.9119.6165.9-128.5-87.7000109.6K1879 Y1883 R2324K1879-F1881 VanDerWaalsContact C-N 3.28Å; K1879-F1881 PolarHBondContact O-N 3.03Å; F1881-Y1883 PolarHBondContact O-N 3.11Å; F1881-R2324 VanDerWaalsContact CD1-NH1 3.27Å; F1881-R2324 VanDerWaalsContact CD2-NH2 3.3Å; F1881-R2324 VanDerWaalsContact CZ-NH2 3.34Å
1882S26.5Very low29.6Very low87.8 Ų87.8132.3 Ų132.361%0.61469%0.686SS**  trans-89135.3178.599.60000111.8N1880 S1884N1880-S1882 VanDerWaalsContact C-N 3.25Å; N1880-S1882 PolarHBondContact O-N 3.05Å; S1882-S1884 PolarHBondContact O-N 3.19Å
1883Y28Very low29.8Very low184 Ų184135.5 Ų135.572%0.72270%0.696SS**  trans-99116.6165.1-107.1-90.6000110.6F1881 Y1885 E1891 Y2321F1881-Y1883 PolarHBondContact O-N 3.11Å; Y1883-Y1885 PolarHBondContact O-N 3.28Å; Y1883-Y1885 VanDerWaalsContact O-N 3.1Å; Y1883-E1891 WeakPolarHBondContact CE2-OE2 3.46Å; Y1883-E1891 PolarHBondContact OH-OE2 2.99Å; Y1883-Y2321 AromaticContact CE1-CD1 3.84Å; Y1883-Y2321 HydrophobicContact CE1-CD1 3.84Å; Y1883-Y2321 HydrophobicContact CE1-CE1 4.28Å; Y1883-Y2321 AromaticContact CZ-CD1 3.76Å; Y1883-Y2321 WeakPolarHBondContact OH-CD1 3.42Å; Y1883-Y2321 WeakPolarHBondContact OH-CE1 3.48Å
1884S28Very low30.1Very low83.4 Ų83.4136.7 Ų136.758%0.58370%0.699SS**  trans-108118.415873.80000111.4S1882 F1886S1882-S1884 PolarHBondContact O-N 3.19Å; S1884-F1886 PolarHBondContact O-N 3.2Å
1885Y30.4Very low30.3Very low171.6 Ų171.6137.2 Ų137.267%0.67371%0.706SS**  trans-114113.1156.5-159.7-102000111.1Y1883 D1887 D1888Y1883-Y1885 PolarHBondContact O-N 3.28Å; Y1883-Y1885 VanDerWaalsContact O-N 3.1Å; Y1885-D1887 WeakPolarHBondContact CE1-O 3.4Å; Y1885-D1887 PolarHBondContact O-N 3.41Å; Y1885-D1887 VanDerWaalsContact O-N 3.13Å; Y1885-D1888 WeakPolarHBondContact CE2-OD2 3.49Å; Y1885-D1888 VanDerWaalsContact CZ-OD2 3.23Å; Y1885-D1888 PolarHBondContact OH-OD2 2.86Å
1886F31.3Very low30.5Very low149.4 Ų149.4137 Ų13766%0.65571%0.709SS**  trans-149.9104.1156.7-103.1-90000111.2S1884 R2248S1884-F1886 PolarHBondContact O-N 3.2Å; F1886-R2248 PolarHBondContact O-NH1 2.86Å
1887D32Very low31Very low125.6 Ų125.6137.6 Ų137.667%0.67271%0.712SS**  trans-132.7132.1164.3-136.4-2.1000115Y1885 G1889Y1885-D1887 WeakPolarHBondContact CE1-O 3.4Å; Y1885-D1887 PolarHBondContact O-N 3.41Å; Y1885-D1887 VanDerWaalsContact O-N 3.13Å; D1887-G1889 PolarHBondContact O-N 3.13Å; D1887-G1889 WeakPolarHBondContact OD1-CA 3.42Å
1888D31.4Very low31.3Very low147.8 Ų147.8139.8 Ų139.879%0.7972%0.718SS**  trans-81112.9163.7-86.2-27.6000114.5Y1885Y1885-D1888 WeakPolarHBondContact CE2-OD2 3.49Å; Y1885-D1888 VanDerWaalsContact CZ-OD2 3.23Å; Y1885-D1888 PolarHBondContact OH-OD2 2.86Å
1889G30.9Very low31.6Very low60.4 Ų60.4139.4 Ų139.462%0.62372%0.721SS**  trans131.189.6178.500000116.2D1887 E1891D1887-G1889 PolarHBondContact O-N 3.13Å; D1887-G1889 WeakPolarHBondContact OD1-CA 3.42Å; G1889-E1891 VanDerWaalsContact C-N 3.26Å; G1889-E1891 PolarHBondContact O-N 3.29Å
1890Q31.2Very low32.1Very low180.4 Ų180.4137.6 Ų137.684%0.84372%0.72SS**  trans-102.3111.9155.5-93.5177.8-4.500113.2
1891E31.5Very low32.6Very low152.2 Ų152.2138.1 Ų138.171%0.71172%0.723SS**  trans-153.8125.5168.4-127.2131.5-15900111.5Y1883 G1889Y1883-E1891 WeakPolarHBondContact CE2-OE2 3.46Å; Y1883-E1891 PolarHBondContact OH-OE2 2.99Å; G1889-E1891 VanDerWaalsContact C-N 3.26Å; G1889-E1891 PolarHBondContact O-N 3.29Å
1892A33.3Very low33.1Very low83.6 Ų83.6133.4 Ų133.469%0.69172%0.717SS**  trans71.7112.5143.100000115.3K1894A1892-K1894 PolarHBondContact O-N 3.45Å
1893D33.3Very low33.6Very low156.6 Ų156.6135.3 Ų135.384%0.83772%0.72SS**  -95.9115117.7-83.4-34.2000112.7
1894K34.2Very low34.1Very low170.2 Ų170.2131.1 Ų131.174%0.7472%0.716SS**  trans-170.6114.9151.5-103.7177.6-176.8172.60114.7A1892 S1896 N2326A1892-K1894 PolarHBondContact O-N 3.45Å; K1894-S1896 PolarHBondContact O-N 3.1Å; K1894-S1896 PolarHBondContact O-OG 3.27Å; K1894-N2326 PolarHBondContact NZ-OD1 2.92Å
1895D33.1Very low34.4Very low137.6 Ų137.6132.6 Ų132.674%0.73672%0.723SS**  trans-100.8128.4151.1-68.9-31.9000111.9D1897D1895-D1897 VanDerWaalsContact C-N 3.27Å; D1895-D1897 PolarHBondContact O-N 3.19Å; D1895-D1897 VanDerWaalsContact O-N 3.14Å
1896S33.8Very low34.5Very low105 Ų105131.9 Ų131.973%0.73473%0.73SS**  trans-94.9149.2179.8-52.70000114K1894K1894-S1896 PolarHBondContact O-N 3.1Å; K1894-S1896 PolarHBondContact O-OG 3.27Å
1897D37.8Very low34.7Very low141 Ų141130.9 Ų130.975%0.75474%0.736SS**  trans-136142.5179.1-68.7-50.6000113.7D1895D1895-D1897 VanDerWaalsContact C-N 3.27Å; D1895-D1897 PolarHBondContact O-N 3.19Å; D1895-D1897 VanDerWaalsContact O-N 3.14Å
1898E36.8Very low34.7Very low166.6 Ų166.6128.9 Ų128.978%0.77974%0.737SS**  trans-161.1124.7157.4-75.9-173.4165.400115.4R2244 R2248E1898-R2244 IonicContact OE2-CZ 2.64Å; E1898-R2244 IonicContact OE2-NE 2.74Å; E1898-R2244 PolarHBondContact OE2-NE 2.88Å; E1898-R2244 IonicContact OE2-NH2 2.79Å; E1898-R2244 PolarHBondContact OE2-NH2 3.33Å; E1898-R2248 IonicContact OE1-CZ 2.78Å; E1898-R2248 IonicContact OE1-NE 3.65Å; E1898-R2248 PolarHBondContact OE1-NE 3.44Å; E1898-R2248 IonicContact OE1-NH2 3.48Å; E1898-R2248 PolarHBondContact OE1-NH2 3.1Å; E1898-R2248 IonicContact OE2-CZ 3.18Å; E1898-R2248 IonicContact OE2-NH2 2.72Å; E1898-R2248 PolarHBondContact OE2-NH2 2.99Å
1899D36.4Very low34.9Very low147.8 Ų147.8129.6 Ų129.679%0.7974%0.741SS**  trans-137.1147.9174.7-97.5-42.2000112.8
1900D39.4Very low35.1Very low137.6 Ų137.6131.2 Ų131.274%0.73674%0.743SS**  trans154.6122.4157.8-105-24.8000116.3A1902 K2347D1900-A1902 PolarHBondContact O-N 2.94Å; D1900-A1902 VanDerWaalsContact O-N 3.09Å; D1900-K2347 HydrophobicContact CB-CD 3.81Å; D1900-K2347 VanDerWaalsContact CB-CE 3.44Å; D1900-K2347 HydrophobicContact CB-CG 4.48Å; D1900-K2347 VanDerWaalsContact CB-NZ 3.33Å; D1900-K2347 WeakPolarHBondContact OD1-CE 3.46Å; D1900-K2347 IonicContact OD1-NZ 2.75Å; D1900-K2347 PolarHBondContact OD1-NZ 2.69Å; D1900-K2347 WeakPolarHBondContact OD2-CD 3.46Å; D1900-K2347 WeakPolarHBondContact OD2-CE 3.41Å; D1900-K2347 IonicContact OD2-NZ 3.32Å; D1900-K2347 PolarHBondContact OD2-NZ 3.25Å
1901D38.3Very low35.7Very low133.2 Ų133.2133.4 Ų133.471%0.71274%0.743SS**  trans-39.3114.9172.1-107.1-24.5000118.6R2251 H2343D1901-R2251 VanDerWaalsContact CG-NH2 3.34Å; D1901-R2251 IonicContact OD1-NH2 2.86Å; D1901-R2251 PolarHBondContact OD1-NH2 3.01Å; D1901-R2251 IonicContact OD2-CZ 2.86Å; D1901-R2251 IonicContact OD2-NH1 2.92Å; D1901-R2251 PolarHBondContact OD2-NH1 3.49Å; D1901-R2251 IonicContact OD2-NH2 3.46Å; D1901-R2251 PolarHBondContact OD2-NH2 3.5Å; D1901-H2343 IonicContact OD2-CE1 3.28Å
1902A38Very low36.5Very low79 Ų79130.8 Ų130.865%0.65373%0.734SS**  trans170.180.9157.100000116.9D1900D1900-A1902 PolarHBondContact O-N 2.94Å; D1900-A1902 VanDerWaalsContact O-N 3.09Å
1903N36.1Very low37.7Very low128.6 Ų128.6131.4 Ų131.469%0.68873%0.726SS**  trans-107.3126.6164.4-122.9-24.7000115R2237N1903-R2237 PolarHBondContact OD1-NH1 2.73Å; N1903-R2237 VanDerWaalsContact OD1-NH1 3.12Å; N1903-R2237 PolarHBondContact OD1-NH2 2.71Å
1904P38.3Very low38.7Very low96.4 Ų96.4128.4 Ų128.463%0.62672%0.715SS**  trans-80.2143166.932.4-32.5000111.9L1906 Y2355P1904-L1906 PolarHBondContact O-N 3.22Å; P1904-Y2355 HydrophobicContact CG-CE1 4.49Å
1905P35.5Very low39.7Very low113.4 Ų113.4125.3 Ų125.374%0.73671%0.705SS**  trans-77.9146.7-174.130.3-35.3000113.8T1907P1905-T1907 PolarHBondContact O-N 3.13Å
1906L32.4Very low41.1Very low157.8 Ų157.8122.8 Ų122.883%0.82669%0.689SS**  trans-62108.6171.7-73.691.7000113.4P1904 A1908P1904-L1906 PolarHBondContact O-N 3.22Å; L1906-A1908 PolarHBondContact O-N 2.61Å
1907T34.6Very low42.4Very low127.4 Ų127.4122.8 Ų122.878%0.78268%0.68SS**  trans-144120.2133.430.80000110.5P1905 N1909P1905-T1907 PolarHBondContact O-N 3.13Å; T1907-N1909 PolarHBondContact O-N 2.98Å
1908A32Very low43.7Very low84.2 Ų84.2120.8 Ų120.870%0.69667%0.669SS**  trans-78.2148.417700000112L1906L1906-A1908 PolarHBondContact O-N 2.61Å
1909N35.6Very low45Very low162.6 Ų162.6115.5 Ų115.587%0.8765%0.646SS**  trans147.477.8147.5-80.3-35.4000116.2T1907T1907-N1909 PolarHBondContact O-N 2.98Å
1910S36Very low46.4Very low94.2 Ų94.2115.3 Ų115.366%0.65963%0.634SS**  trans-126110.7158.559.10000114.9L1912S1910-L1912 VanDerWaalsContact C-N 3.33Å; S1910-L1912 WeakPolarHBondContact O-CD1 3.34Å; S1910-L1912 PolarHBondContact O-N 3.15Å
1911R42.3Very low47.6Very low226.2 Ų226.2111.3 Ų111.385%0.85462%0.62SS**  trans-109.9107.7157.5-91173.3174.3170.4-2.7108.9N1913R1911-N1913 PolarHBondContact O-N 3.4Å
1912L50.3Low48.9Very low97.4 Ų97.4109.5 Ų109.551%0.5161%0.609SS.*  trans-68.7132172.7-9183.4000109.7S1910 Q1916 L1917S1910-L1912 VanDerWaalsContact C-N 3.33Å; S1910-L1912 WeakPolarHBondContact O-CD1 3.34Å; S1910-L1912 PolarHBondContact O-N 3.15Å; L1912-Q1916 HydrophobicContact CB-CB 3.98Å; L1912-Q1916 HydrophobicContact CD1-CB 4.42Å; L1912-Q1916 HydrophobicContact CD2-CB 4.35Å; L1912-Q1916 HydrophobicContact CG-CB 4.2Å; L1912-L1917 HydrophobicContact CD2-CD1 3.99Å
1913N58.2Low50.3Low97.2 Ų97.2110.6 Ų110.652%0.5260%0.6SS.*  trans-66.7149.4174.7-86.3-46.2000110.6R1911 I1915 Q1916 L1917 Y2602R1911-N1913 PolarHBondContact O-N 3.4Å; N1913-I1915 PolarHBondContact O-N 3.22Å; N1913-I1915 VanDerWaalsContact O-N 3.12Å; N1913-Q1916 HydrophobicContact CB-CB 4.5Å; N1913-Q1916 HydrophobicContact CB-CG 4.34Å; N1913-Q1916 CarbonylContact O-C 3.58Å; N1913-Q1916 WeakPolarHBondContact O-CA 3.15Å; N1913-Q1916 WeakPolarHBondContact O-CB 3.33Å; N1913-Q1916 PolarHBondContact O-N 3.02Å; N1913-L1917 PolarHBondContact O-N 3.03Å; N1913-L1917 VanDerWaalsContact O-N 3.12Å; N1913-Y2602 PolarHBondContact OD1-OH 3.41Å
1914P52.9Low51.8Low94 Ų94109.4 Ų109.461%0.6159%0.593SS**Hα-helixtrans-57.2-30.5178.112.7-20.7000113Q1916 L1917 L1918P1914-Q1916 VanDerWaalsContact C-N 3.3Å; P1914-Q1916 PolarHBondContact O-N 3.41Å; P1914-L1917 WeakPolarHBondContact O-CB 3.19Å; P1914-L1917 PolarHBondContact O-N 3.23Å; P1914-L1918 VanDerWaalsContact O-CB 3.26Å; P1914-L1918 WeakPolarHBondContact O-CB 3.37Å; P1914-L1918 PolarHBondContact O-N 3.15Å
1915I56.9Low53.1Low103.4 Ų103.4106.4 Ų106.453%0.5358%0.58SS.*Hα-helixtrans-66.1-37.9173.1-65171.2000112N1913 L1917 L1918 N1919 I2741 L2745N1913-I1915 PolarHBondContact O-N 3.22Å; N1913-I1915 VanDerWaalsContact O-N 3.12Å; I1915-L1917 VanDerWaalsContact C-N 3.34Å; I1915-L1918 PolarHBondContact O-N 3.17Å; I1915-N1919 WeakPolarHBondContact O-CB 3.43Å; I1915-N1919 VanDerWaalsContact O-CG 3.29Å; I1915-N1919 PolarHBondContact O-N 3.02Å; I1915-N1919 PolarHBondContact O-ND2 3.43Å; I1915-N1919 PolarHBondContact O-OD1 3.13Å; I1915-I2741 HydrophobicContact CG2-CB 4.48Å; I1915-I2741 HydrophobicContact CG2-CD1 4.42Å; I1915-I2741 HydrophobicContact CG2-CG2 4.11Å; I1915-L2745 HydrophobicContact CD1-CD1 3.9Å
1916Q62.3Low54.4Low86.4 Ų86.4102.8 Ų102.840%0.40456%0.56SS.*Hα-helixtrans-70.7-35.1175.5-70174.1-33.500111.5L1912 N1913 P1914 N1919 R1920 N2737L1912-Q1916 HydrophobicContact CB-CB 3.98Å; L1912-Q1916 HydrophobicContact CD1-CB 4.42Å; L1912-Q1916 HydrophobicContact CD2-CB 4.35Å; L1912-Q1916 HydrophobicContact CG-CB 4.2Å; N1913-Q1916 HydrophobicContact CB-CB 4.5Å; N1913-Q1916 HydrophobicContact CB-CG 4.34Å; N1913-Q1916 CarbonylContact O-C 3.58Å; N1913-Q1916 WeakPolarHBondContact O-CA 3.15Å; N1913-Q1916 WeakPolarHBondContact O-CB 3.33Å; N1913-Q1916 PolarHBondContact O-N 3.02Å; P1914-Q1916 VanDerWaalsContact C-N 3.3Å; P1914-Q1916 PolarHBondContact O-N 3.41Å; Q1916-N1919 PolarHBondContact O-N 3.28Å; Q1916-R1920 WeakPolarHBondContact O-CB 3.38Å; Q1916-R1920 PolarHBondContact O-N 2.99Å; Q1916-R1920 VanDerWaalsContact O-N 3.13Å; Q1916-N2737 PolarHBondContact NE2-ND2 3.07Å; Q1916-N2737 PolarHBondContact NE2-OD1 2.87Å
1917L60.9Low55.6Low103.8 Ų103.8100.6 Ų100.654%0.54355%0.548SS..Hα-helixtrans-66.9-40.6173.5-159.5123.9000111.1W1623 L1912 N1913 P1914 I1915 R1920 A1921 F2238W1623-L1917 HydrophobicContact CH2-CD1 4.24Å; W1623-L1917 HydrophobicContact CZ3-CD1 4.47Å; L1912-L1917 HydrophobicContact CD2-CD1 3.99Å; N1913-L1917 PolarHBondContact O-N 3.03Å; N1913-L1917 VanDerWaalsContact O-N 3.12Å; P1914-L1917 WeakPolarHBondContact O-CB 3.19Å; P1914-L1917 PolarHBondContact O-N 3.23Å; I1915-L1917 VanDerWaalsContact C-N 3.34Å; L1917-R1920 PolarHBondContact O-N 3.17Å; L1917-A1921 VanDerWaalsContact O-CB 3.29Å; L1917-A1921 WeakPolarHBondContact O-CB 3.36Å; L1917-A1921 PolarHBondContact O-N 3.02Å; L1917-F2238 HydrophobicContact CD1-CD2 3.77Å; L1917-F2238 HydrophobicContact CD1-CE2 3.89Å
1918L63.7Low57.1Low99.8 Ų99.897.5 Ų97.552%0.52353%0.532SS..Hα-helixtrans-63.7-45.4173.7-178.163.3000112.1P1914 I1915 R1920 A1921 M1922 I2741P1914-L1918 VanDerWaalsContact O-CB 3.26Å; P1914-L1918 WeakPolarHBondContact O-CB 3.37Å; P1914-L1918 PolarHBondContact O-N 3.15Å; I1915-L1918 PolarHBondContact O-N 3.17Å; L1918-R1920 PolarHBondContact O-N 3.21Å; L1918-A1921 WeakPolarHBondContact O-CB 3.4Å; L1918-A1921 PolarHBondContact O-N 2.94Å; L1918-M1922 HydrophobicContact CD1-CG 4.46Å; L1918-M1922 HydrophobicContact CD1-SD 4.49Å; L1918-M1922 HydrophobicContact CG-CE 4.28Å; L1918-M1922 HydrophobicContact CG-SD 4.28Å; L1918-M1922 WeakPolarHBondContact O-CB 3.49Å; L1918-M1922 WeakPolarHBondContact O-CG 3.39Å; L1918-M1922 PolarHBondContact O-N 3.2Å; L1918-I2741 HydrophobicContact CB-CD1 4.46Å; L1918-I2741 HydrophobicContact CD2-CD1 3.98Å; L1918-I2741 HydrophobicContact CG-CD1 4Å
1919N64.5Low58.4Low55 Ų5597.7 Ų97.729%0.29452%0.524SS..Hα-helixtrans-60.1-47.6176-75.5-5.7000111.2I1915 Q1916 A1921 M1922 E1923 N2739 I2741I1915-N1919 WeakPolarHBondContact O-CB 3.43Å; I1915-N1919 VanDerWaalsContact O-CG 3.29Å; I1915-N1919 PolarHBondContact O-N 3.02Å; I1915-N1919 PolarHBondContact O-ND2 3.43Å; I1915-N1919 PolarHBondContact O-OD1 3.13Å; Q1916-N1919 PolarHBondContact O-N 3.28Å; N1919-A1921 VanDerWaalsContact C-N 3.3Å; N1919-A1921 PolarHBondContact O-N 3.14Å; N1919-M1922 CarbonylContact O-C 3.46Å; N1919-M1922 WeakPolarHBondContact O-CA 3.47Å; N1919-M1922 WeakPolarHBondContact O-CB 3.33Å; N1919-M1922 PolarHBondContact O-N 3.17Å; N1919-M1922 VanDerWaalsContact O-N 3.13Å; N1919-M1922 WeakPolarHBondContact OD1-CE 3.44Å; N1919-E1923 WeakPolarHBondContact O-CB 3.17Å; N1919-E1923 WeakPolarHBondContact O-CG 3.4Å; N1919-E1923 PolarHBondContact O-N 3.07Å; N1919-N2739 WeakPolarHBondContact CB-ND2 3.31Å; N1919-N2739 PolarHBondContact ND2-ND2 3.44Å; N1919-N2739 VanDerWaalsContact ND2-ND2 3.18Å; N1919-N2739 WeakPolarHBondContact OD1-CB 3.44Å; N1919-I2741 HydrophobicContact CB-CD1 4.48Å; N1919-I2741 VanDerWaalsContact CG-CD1 3.49Å; N1919-I2741 WeakPolarHBondContact ND2-CD1 3.49Å; N1919-I2741 WeakPolarHBondContact OD1-CD1 3.46Å; N1919-I2741 WeakPolarHBondContact OD1-CG1 3.28Å
1920R65.2Low59.8Low143.6 Ų143.693.9 Ų93.954%0.54251%0.507SS..Hα-helixtrans-65.9-31.3178.6-159.6171.2-174.5136.9-2.5112.5I1622 Q1916 L1917 L1918 E1923 L1924I1622-R1920 PolarHBondContact O-NH2 2.74Å; Q1916-R1920 WeakPolarHBondContact O-CB 3.38Å; Q1916-R1920 PolarHBondContact O-N 2.99Å; Q1916-R1920 VanDerWaalsContact O-N 3.13Å; L1917-R1920 PolarHBondContact O-N 3.17Å; L1918-R1920 PolarHBondContact O-N 3.21Å; R1920-E1923 WeakPolarHBondContact CA-OE2 3.4Å; R1920-L1924 WeakPolarHBondContact O-CB 3.38Å; R1920-L1924 VanDerWaalsContact O-CG 3.3Å; R1920-L1924 WeakPolarHBondContact O-CG 3.4Å; R1920-L1924 PolarHBondContact O-N 3.18Å; R1920-L1924 VanDerWaalsContact O-N 3.07Å
1921A65.7Low61.1Low54.4 Ų54.495.9 Ų95.945%0.4550%0.504SS..Hα-helixtrans-70.1-38.2171.200000112.4L1917 L1918 N1919 L1924 G1925L1917-A1921 VanDerWaalsContact O-CB 3.29Å; L1917-A1921 WeakPolarHBondContact O-CB 3.36Å; L1917-A1921 PolarHBondContact O-N 3.02Å; L1918-A1921 WeakPolarHBondContact O-CB 3.4Å; L1918-A1921 PolarHBondContact O-N 2.94Å; N1919-A1921 VanDerWaalsContact C-N 3.3Å; N1919-A1921 PolarHBondContact O-N 3.14Å; A1921-L1924 PolarHBondContact O-N 3.17Å; A1921-G1925 PolarHBondContact O-N 3.15Å
1922M65.2Low62.3Low94.8 Ų94.890.1 Ų90.147%0.46749%0.486SS..Hα-helixtrans-68.6-37.7173.4-71.6-170.1-60.700112.2L1483 L1918 N1919 G1925 A1926 I2741L1483-M1922 HydrophobicContact CD2-CE 3.77Å; L1483-M1922 HydrophobicContact CD2-SD 3.56Å; L1483-M1922 VanDerWaalsContact CD2-SD 3.56Å; L1918-M1922 HydrophobicContact CD1-CG 4.46Å; L1918-M1922 HydrophobicContact CD1-SD 4.49Å; L1918-M1922 HydrophobicContact CG-CE 4.28Å; L1918-M1922 HydrophobicContact CG-SD 4.28Å; L1918-M1922 WeakPolarHBondContact O-CB 3.49Å; L1918-M1922 WeakPolarHBondContact O-CG 3.39Å; L1918-M1922 PolarHBondContact O-N 3.2Å; N1919-M1922 CarbonylContact O-C 3.46Å; N1919-M1922 WeakPolarHBondContact O-CA 3.47Å; N1919-M1922 WeakPolarHBondContact O-CB 3.33Å; N1919-M1922 PolarHBondContact O-N 3.17Å; N1919-M1922 VanDerWaalsContact O-N 3.13Å; N1919-M1922 WeakPolarHBondContact OD1-CE 3.44Å; M1922-G1925 PolarHBondContact O-N 3.05Å; M1922-A1926 VanDerWaalsContact O-CB 3.29Å; M1922-A1926 WeakPolarHBondContact O-CB 3.35Å; M1922-A1926 PolarHBondContact O-N 3.16Å; M1922-I2741 HydrophobicContact CE-CD1 3.47Å; M1922-I2741 VanDerWaalsContact CE-CD1 3.47Å; M1922-I2741 HydrophobicContact CE-CG1 3.64Å
1923E66.9Low62.7Low101.8 Ų101.892.3 Ų92.348%0.47649%0.489SS..Hα-helixtrans-61.5-46.9172.3-73.1169.2169.100111.2M1484 N1919 R1920 G1925 A1926 L1927M1484-E1923 HydrophobicContact CE-CG 4.32Å; M1484-E1923 HydrophobicContact SD-CG 4.45Å; N1919-E1923 WeakPolarHBondContact O-CB 3.17Å; N1919-E1923 WeakPolarHBondContact O-CG 3.4Å; N1919-E1923 PolarHBondContact O-N 3.07Å; R1920-E1923 WeakPolarHBondContact CA-OE2 3.4Å; E1923-G1925 VanDerWaalsContact C-N 3.32Å; E1923-G1925 PolarHBondContact O-N 3.19Å; E1923-A1926 PolarHBondContact O-N 3.2Å; E1923-L1927 WeakPolarHBondContact O-CB 3.37Å; E1923-L1927 VanDerWaalsContact O-CG 3.3Å; E1923-L1927 WeakPolarHBondContact O-CG 3.41Å; E1923-L1927 PolarHBondContact O-N 3.11Å
1924L67.9Low62.9Low103.8 Ų103.895.5 Ų95.554%0.54349%0.494SS..Hα-helixtrans-64.7-36.2175.1-71.4170000112.2Y1618 I1622 R1920 A1921 S1928Y1618-L1924 HydrophobicContact CE1-CD2 4.36Å; I1622-L1924 HydrophobicContact CD1-CD2 4.3Å; R1920-L1924 WeakPolarHBondContact O-CB 3.38Å; R1920-L1924 VanDerWaalsContact O-CG 3.3Å; R1920-L1924 WeakPolarHBondContact O-CG 3.4Å; R1920-L1924 PolarHBondContact O-N 3.18Å; R1920-L1924 VanDerWaalsContact O-N 3.07Å; A1921-L1924 PolarHBondContact O-N 3.17Å; L1924-S1928 VanDerWaalsContact O-CB 3.26Å; L1924-S1928 WeakPolarHBondContact O-CB 3.37Å; L1924-S1928 PolarHBondContact O-N 3.08Å; L1924-S1928 PolarHBondContact O-OG 3.3Å
1925G66.2Low63.3Low33.8 Ų33.898.8 Ų98.835%0.34849%0.494SS..Hα-helixtrans-65.3-42.7172.600000113.1A1921 M1922 E1923 S1928 T1929A1921-G1925 PolarHBondContact O-N 3.15Å; M1922-G1925 PolarHBondContact O-N 3.05Å; E1923-G1925 VanDerWaalsContact C-N 3.32Å; E1923-G1925 PolarHBondContact O-N 3.19Å; G1925-S1928 WeakPolarHBondContact CA-OG 3.3Å; G1925-S1928 WeakPolarHBondContact O-CB 3.34Å; G1925-S1928 PolarHBondContact O-N 3.22Å; G1925-S1928 PolarHBondContact O-OG 3.35Å; G1925-S1928 VanDerWaalsContact O-OG 3.05Å; G1925-T1929 WeakPolarHBondContact O-CB 3.32Å; G1925-T1929 WeakPolarHBondContact O-CG2 3.3Å; G1925-T1929 PolarHBondContact O-N 3.19Å; G1925-T1929 PolarHBondContact O-OG1 3.12Å
1926A62.1Low63.4Low37 Ų3798.2 Ų98.231%0.30649%0.492SS..Hα-helixtrans-66.2-44.5175.400000111.6M1922 E1923 S1928 T1929 V1930 Y2799M1922-A1926 VanDerWaalsContact O-CB 3.29Å; M1922-A1926 WeakPolarHBondContact O-CB 3.35Å; M1922-A1926 PolarHBondContact O-N 3.16Å; E1923-A1926 PolarHBondContact O-N 3.2Å; A1926-S1928 VanDerWaalsContact C-N 3.3Å; A1926-S1928 PolarHBondContact O-N 3.31Å; A1926-T1929 WeakPolarHBondContact CA-OG1 3.32Å; A1926-T1929 PolarHBondContact O-N 3.18Å; A1926-T1929 PolarHBondContact O-OG1 3.1Å; A1926-T1929 VanDerWaalsContact O-OG1 3.09Å; A1926-V1930 WeakPolarHBondContact O-CB 3.33Å; A1926-V1930 VanDerWaalsContact O-CG2 3.28Å; A1926-V1930 WeakPolarHBondContact O-CG2 3.39Å; A1926-V1930 PolarHBondContact O-N 3.39Å; A1926-Y2799 HydrophobicContact CB-CE1 3.74Å
1927L58.3Low63.1Low111.2 Ų111.298.6 Ų98.658%0.58250%0.496SS*.Hα-helixtrans-65.3-35.8175.5-70.8170.3000111.9Y1618 E1923 K1931Y1618-L1927 WeakPolarHBondContact OH-CD1 3.42Å; E1923-L1927 WeakPolarHBondContact O-CB 3.37Å; E1923-L1927 VanDerWaalsContact O-CG 3.3Å; E1923-L1927 WeakPolarHBondContact O-CG 3.41Å; E1923-L1927 PolarHBondContact O-N 3.11Å; L1927-K1931 WeakPolarHBondContact O-CB 3.31Å; L1927-K1931 PolarHBondContact O-N 3.11Å
1928S66.4Low62.6Low63 Ų63101.1 Ų101.144%0.44150%0.5SS..Hα-helixtrans-64.9-49.4173.4170.30000111.7L1924 G1925 A1926 V1930 K1931 Q1932 R2345L1924-S1928 VanDerWaalsContact O-CB 3.26Å; L1924-S1928 WeakPolarHBondContact O-CB 3.37Å; L1924-S1928 PolarHBondContact O-N 3.08Å; L1924-S1928 PolarHBondContact O-OG 3.3Å; G1925-S1928 WeakPolarHBondContact CA-OG 3.3Å; G1925-S1928 WeakPolarHBondContact O-CB 3.34Å; G1925-S1928 PolarHBondContact O-N 3.22Å; G1925-S1928 PolarHBondContact O-OG 3.35Å; G1925-S1928 VanDerWaalsContact O-OG 3.05Å; A1926-S1928 VanDerWaalsContact C-N 3.3Å; A1926-S1928 PolarHBondContact O-N 3.31Å; S1928-V1930 PolarHBondContact O-N 3.05Å; S1928-K1931 PolarHBondContact O-N 3.29Å; S1928-K1931 VanDerWaalsContact O-N 3.15Å; S1928-Q1932 VanDerWaalsContact O-CB 3.23Å; S1928-Q1932 WeakPolarHBondContact O-CB 3.34Å; S1928-Q1932 PolarHBondContact O-N 3.02Å; S1928-R2345 PolarHBondContact OG-NH2 3.16Å
1929T59.3Low62.1Low88.2 Ų88.299 Ų9954%0.54150%0.496SS..Hα-helixtrans-65.8-39178.952.10000112.4G1925 A1926 K1931 Q1932 Y1933G1925-T1929 WeakPolarHBondContact O-CB 3.32Å; G1925-T1929 WeakPolarHBondContact O-CG2 3.3Å; G1925-T1929 PolarHBondContact O-N 3.19Å; G1925-T1929 PolarHBondContact O-OG1 3.12Å; A1926-T1929 WeakPolarHBondContact CA-OG1 3.32Å; A1926-T1929 PolarHBondContact O-N 3.18Å; A1926-T1929 PolarHBondContact O-OG1 3.1Å; A1926-T1929 VanDerWaalsContact O-OG1 3.09Å; T1929-K1931 VanDerWaalsContact C-N 3.35Å; T1929-K1931 PolarHBondContact O-N 3.08Å; T1929-Q1932 PolarHBondContact O-N 3.15Å; T1929-Y1933 VanDerWaalsContact O-CB 3.31Å; T1929-Y1933 WeakPolarHBondContact O-CB 3.36Å; T1929-Y1933 PolarHBondContact O-N 2.95Å
1930V65.1Low61.3Low83.2 Ų83.2103.3 Ų103.350%0.50452%0.515SS..Hα-helixtrans-64.6-41.4172.8170.10000111.5A1926 S1928 Q1932 Y1933 R1934A1926-V1930 WeakPolarHBondContact O-CB 3.33Å; A1926-V1930 VanDerWaalsContact O-CG2 3.28Å; A1926-V1930 WeakPolarHBondContact O-CG2 3.39Å; A1926-V1930 PolarHBondContact O-N 3.39Å; S1928-V1930 PolarHBondContact O-N 3.05Å; V1930-Q1932 VanDerWaalsContact C-N 3.32Å; V1930-Q1932 PolarHBondContact O-N 3.07Å; V1930-Y1933 PolarHBondContact O-N 3.2Å; V1930-R1934 VanDerWaalsContact O-CB 3.29Å; V1930-R1934 WeakPolarHBondContact O-CB 3.39Å; V1930-R1934 PolarHBondContact O-N 3.21Å
1931K63.8Low60.5Low135.8 Ų135.899.6 Ų99.659%0.5951%0.511SS*.Hα-helixtrans-67.4-33.9176.9-168.4171.2-173.5173.80112.1L1927 S1928 T1929 R1935L1927-K1931 WeakPolarHBondContact O-CB 3.31Å; L1927-K1931 PolarHBondContact O-N 3.11Å; S1928-K1931 PolarHBondContact O-N 3.29Å; S1928-K1931 VanDerWaalsContact O-N 3.15Å; T1929-K1931 VanDerWaalsContact C-N 3.35Å; T1929-K1931 PolarHBondContact O-N 3.08Å; K1931-R1935 WeakPolarHBondContact O-CG 3.34Å; K1931-R1935 PolarHBondContact O-N 3.04Å; K1931-R1935 VanDerWaalsContact O-N 3.07Å
1932Q66.6Low59.6Low104.8 Ų104.8103.1 Ų103.149%0.4952%0.518SS..Hα-helixtrans-75.4-39.5174.6-168.1147.2-11.600112.2S1928 T1929 V1930 R1934 R1935 N1936S1928-Q1932 VanDerWaalsContact O-CB 3.23Å; S1928-Q1932 WeakPolarHBondContact O-CB 3.34Å; S1928-Q1932 PolarHBondContact O-N 3.02Å; T1929-Q1932 PolarHBondContact O-N 3.15Å; V1930-Q1932 VanDerWaalsContact C-N 3.32Å; V1930-Q1932 PolarHBondContact O-N 3.07Å; Q1932-R1934 VanDerWaalsContact C-N 3.3Å; Q1932-R1934 PolarHBondContact O-N 3.26Å; Q1932-R1935 WeakPolarHBondContact O-CB 3.3Å; Q1932-R1935 PolarHBondContact O-N 3.1Å; Q1932-R1935 VanDerWaalsContact O-N 3.16Å; Q1932-N1936 PolarHBondContact O-N 3.26Å; Q1932-N1936 VanDerWaalsContact O-N 3.07Å; Q1932-N1936 PolarHBondContact O-OD1 3.17Å
1933Y58.8Low58.5Low144.2 Ų144.2104 Ų10457%0.56552%0.524SS*.Hα-helixtrans-61.7-44.3172.3-172.3-107.4000111.3T1929 V1930 R1935 N1936 L1937T1929-Y1933 VanDerWaalsContact O-CB 3.31Å; T1929-Y1933 WeakPolarHBondContact O-CB 3.36Å; T1929-Y1933 PolarHBondContact O-N 2.95Å; V1930-Y1933 PolarHBondContact O-N 3.2Å; Y1933-R1935 VanDerWaalsContact C-N 3.35Å; Y1933-R1935 PolarHBondContact O-N 3.17Å; Y1933-N1936 PolarHBondContact O-N 3.02Å; Y1933-L1937 HydrophobicContact CD1-CD1 3.92Å; Y1933-L1937 HydrophobicContact CD2-CD1 4.08Å; Y1933-L1937 HydrophobicContact CE1-CD1 3.53Å; Y1933-L1937 VanDerWaalsContact CE1-CD1 3.46Å; Y1933-L1937 HydrophobicContact CE2-CD1 4.26Å; Y1933-L1937 HydrophobicContact CG-CD1 4.22Å; Y1933-L1937 WeakPolarHBondContact O-CB 3.03Å; Y1933-L1937 WeakPolarHBondContact O-CD1 3.29Å; Y1933-L1937 PolarHBondContact O-N 3.07Å
1934R62.9Low57.3Low163.2 Ų163.2101.7 Ų101.762%0.61653%0.528SS*.Hα-helixtrans-60.5-41.8173.3-158.7-179.3-114.3-174.90.2112.2V1930 Q1932 N1936 L1937 Y1938V1930-R1934 VanDerWaalsContact O-CB 3.29Å; V1930-R1934 WeakPolarHBondContact O-CB 3.39Å; V1930-R1934 PolarHBondContact O-N 3.21Å; Q1932-R1934 VanDerWaalsContact C-N 3.3Å; Q1932-R1934 PolarHBondContact O-N 3.26Å; R1934-N1936 VanDerWaalsContact C-N 3.34Å; R1934-N1936 PolarHBondContact O-N 3.49Å; R1934-L1937 PolarHBondContact O-N 3.08Å; R1934-Y1938 HydrophobicContact CB-CE2 4.46Å; R1934-Y1938 HydrophobicContact CG-CD2 3.96Å; R1934-Y1938 HydrophobicContact CG-CE2 3.76Å; R1934-Y1938 VanDerWaalsContact CG-CE2 3.44Å; R1934-Y1938 WeakPolarHBondContact O-CD2 3.24Å; R1934-Y1938 PolarHBondContact O-N 3.17Å; R1934-Y1938 VanDerWaalsContact O-N 3.12Å
1935R61.6Low56Low163.2 Ų163.2100.3 Ų100.362%0.61652%0.523SS*.Hα-helixtrans-61.3-45.2173.2-81.6176.4172.9162.9-6.1112.2K1931 Q1932 Y1933 L1937 Y1938 A1939K1931-R1935 WeakPolarHBondContact O-CG 3.34Å; K1931-R1935 PolarHBondContact O-N 3.04Å; K1931-R1935 VanDerWaalsContact O-N 3.07Å; Q1932-R1935 WeakPolarHBondContact O-CB 3.3Å; Q1932-R1935 PolarHBondContact O-N 3.1Å; Q1932-R1935 VanDerWaalsContact O-N 3.16Å; Y1933-R1935 VanDerWaalsContact C-N 3.35Å; Y1933-R1935 PolarHBondContact O-N 3.17Å; R1935-L1937 VanDerWaalsContact C-N 3.32Å; R1935-L1937 PolarHBondContact O-N 3.13Å; R1935-Y1938 PolarHBondContact O-N 3.22Å; R1935-A1939 WeakPolarHBondContact O-CB 3.31Å; R1935-A1939 PolarHBondContact O-N 3.11Å
1936N59.1Low54.6Low90.4 Ų90.4107.9 Ų107.948%0.48354%0.542SS..Hα-helixtrans-67.1-35179.6-74.415.2000112.4Q1932 Y1933 R1934 A1939 H1940Q1932-N1936 PolarHBondContact O-N 3.26Å; Q1932-N1936 VanDerWaalsContact O-N 3.07Å; Q1932-N1936 PolarHBondContact O-OD1 3.17Å; Y1933-N1936 PolarHBondContact O-N 3.02Å; R1934-N1936 VanDerWaalsContact C-N 3.34Å; R1934-N1936 PolarHBondContact O-N 3.49Å; N1936-A1939 PolarHBondContact O-N 3.18Å; N1936-H1940 WeakPolarHBondContact O-CB 3.23Å; N1936-H1940 PolarHBondContact O-CD2 3.31Å; N1936-H1940 PolarHBondContact O-N 3.19Å; N1936-H1940 VanDerWaalsContact O-N 3.08Å
1937L55.9Low53.5Low95.8 Ų95.8114.4 Ų114.450%0.50257%0.566SS.*Hα-helixtrans-62.1-47.3171-104.7108.1000111.7Y1933 R1934 R1935 A1939 H1940 S1941Y1933-L1937 HydrophobicContact CD1-CD1 3.92Å; Y1933-L1937 HydrophobicContact CD2-CD1 4.08Å; Y1933-L1937 HydrophobicContact CE1-CD1 3.53Å; Y1933-L1937 VanDerWaalsContact CE1-CD1 3.46Å; Y1933-L1937 HydrophobicContact CE2-CD1 4.26Å; Y1933-L1937 HydrophobicContact CG-CD1 4.22Å; Y1933-L1937 WeakPolarHBondContact O-CB 3.03Å; Y1933-L1937 WeakPolarHBondContact O-CD1 3.29Å; Y1933-L1937 PolarHBondContact O-N 3.07Å; R1934-L1937 PolarHBondContact O-N 3.08Å; R1935-L1937 VanDerWaalsContact C-N 3.32Å; R1935-L1937 PolarHBondContact O-N 3.13Å; L1937-A1939 VanDerWaalsContact C-N 3.33Å; L1937-A1939 PolarHBondContact O-N 3.26Å; L1937-H1940 PolarHBondContact O-N 2.98Å; L1937-S1941 VanDerWaalsContact O-CB 3.29Å; L1937-S1941 WeakPolarHBondContact O-CB 3.3Å; L1937-S1941 PolarHBondContact O-N 3.09Å; L1937-S1941 PolarHBondContact O-OG 3.08Å
1938Y50.1Low52.4Low156 Ų156118.6 Ų118.661%0.61257%0.574SS**Hα-helixtrans-66.8-33.9177.4-73.7-55.6000113.1R1934 R1935 S1941 H1942R1934-Y1938 HydrophobicContact CB-CE2 4.46Å; R1934-Y1938 HydrophobicContact CG-CD2 3.96Å; R1934-Y1938 HydrophobicContact CG-CE2 3.76Å; R1934-Y1938 VanDerWaalsContact CG-CE2 3.44Å; R1934-Y1938 WeakPolarHBondContact O-CD2 3.24Å; R1934-Y1938 PolarHBondContact O-N 3.17Å; R1934-Y1938 VanDerWaalsContact O-N 3.12Å; R1935-Y1938 PolarHBondContact O-N 3.22Å; Y1938-S1941 WeakPolarHBondContact CA-OG 3.41Å; Y1938-S1941 PolarHBondContact O-N 3.16Å; Y1938-S1941 PolarHBondContact O-OG 3.27Å; Y1938-S1941 VanDerWaalsContact O-OG 3.06Å; Y1938-H1942 PolarHBondContact O-N 3.19Å; Y1938-H1942 VanDerWaalsContact O-N 3.11Å
1939A52.8Low51Low54.8 Ų54.8123.2 Ų123.245%0.45359%0.588SS.*Hα-helixtrans-63.1-52.8173.400000111.4R1935 N1936 L1937 S1941 H1942 D1943R1935-A1939 WeakPolarHBondContact O-CB 3.31Å; R1935-A1939 PolarHBondContact O-N 3.11Å; N1936-A1939 PolarHBondContact O-N 3.18Å; L1937-A1939 VanDerWaalsContact C-N 3.33Å; L1937-A1939 PolarHBondContact O-N 3.26Å; A1939-S1941 VanDerWaalsContact C-N 3.28Å; A1939-S1941 PolarHBondContact O-N 3.22Å; A1939-H1942 WeakPolarHBondContact O-CB 3.45Å; A1939-H1942 PolarHBondContact O-N 3.16Å; A1939-D1943 PolarHBondContact O-N 2.88Å
1940H47.6Very low49.9Very low146.4 Ų146.4127.4 Ų127.468%0.67860%0.602SS**Hα-helixtrans-64.7-28.4177.7-83.5-56.8000113.7N1936 L1937 H1942 G1944N1936-H1940 WeakPolarHBondContact O-CB 3.23Å; N1936-H1940 PolarHBondContact O-CD2 3.31Å; N1936-H1940 PolarHBondContact O-N 3.19Å; N1936-H1940 VanDerWaalsContact O-N 3.08Å; L1937-H1940 PolarHBondContact O-N 2.98Å; H1940-H1942 VanDerWaalsContact C-N 3.29Å; H1940-H1942 PolarHBondContact O-N 3.31Å; H1940-G1944 PolarHBondContact O-N 3.21Å
1941S47.6Very low48.5Very low66.6 Ų66.6128.4 Ų128.447%0.46661%0.608SS.*Hα-helixtrans-69.8-20.3174.11490000113.6L1937 Y1938 A1939 T1945L1937-S1941 VanDerWaalsContact O-CB 3.29Å; L1937-S1941 WeakPolarHBondContact O-CB 3.3Å; L1937-S1941 PolarHBondContact O-N 3.09Å; L1937-S1941 PolarHBondContact O-OG 3.08Å; Y1938-S1941 WeakPolarHBondContact CA-OG 3.41Å; Y1938-S1941 PolarHBondContact O-N 3.16Å; Y1938-S1941 PolarHBondContact O-OG 3.27Å; Y1938-S1941 VanDerWaalsContact O-OG 3.06Å; A1939-S1941 VanDerWaalsContact C-N 3.28Å; A1939-S1941 PolarHBondContact O-N 3.22Å; S1941-T1945 PolarHBondContact O-OG1 2.84Å
1942H46.4Very low47Very low127.8 Ų127.8128.7 Ų128.759%0.59262%0.616SS**Hα-helixtrans-92.3-27-176.9-126.4-49.4000114.1Y1938 A1939 H1940 G1944 T1945 R1946Y1938-H1942 PolarHBondContact O-N 3.19Å; Y1938-H1942 VanDerWaalsContact O-N 3.11Å; A1939-H1942 WeakPolarHBondContact O-CB 3.45Å; A1939-H1942 PolarHBondContact O-N 3.16Å; H1940-H1942 VanDerWaalsContact C-N 3.29Å; H1940-H1942 PolarHBondContact O-N 3.31Å; H1942-G1944 VanDerWaalsContact C-N 3.31Å; H1942-T1945 WeakPolarHBondContact CA-OG1 3.39Å; H1942-T1945 PolarHBondContact O-N 3.37Å; H1942-T1945 PolarHBondContact O-OG1 3.26Å; H1942-T1945 VanDerWaalsContact O-OG1 3.05Å; H1942-R1946 PolarHBondContact O-N 3.11Å; H1942-R1946 VanDerWaalsContact O-N 3.11Å
1943D43.7Very low45.5Very low113.8 Ų113.8131 Ų13161%0.60963%0.632SS**Hα-helixtrans-78.9-31.4172.1-72-34000111.9A1939 T1945 R1946 Q1947A1939-D1943 PolarHBondContact O-N 2.88Å; D1943-T1945 VanDerWaalsContact C-N 3.3Å; D1943-T1945 PolarHBondContact O-N 3.06Å; D1943-R1946 PolarHBondContact O-N 2.94Å; D1943-Q1947 PolarHBondContact O-N 3.2Å
1944G40.6Very low44.3Very low53.6 Ų53.6132.1 Ų132.155%0.55365%0.646SS**Hα-helixtrans-67.8-20.1178.800000115.2H1940 H1942H1940-G1944 PolarHBondContact O-N 3.21Å; H1942-G1944 VanDerWaalsContact C-N 3.31Å
1945T41Very low42.8Very low72.8 Ų72.8130 Ų13045%0.44765%0.651SS.*Hα-helixtrans-91-32.5177.440.30000112.7S1941 H1942 D1943 Q1947 R1948 E1949S1941-T1945 PolarHBondContact O-OG1 2.84Å; H1942-T1945 WeakPolarHBondContact CA-OG1 3.39Å; H1942-T1945 PolarHBondContact O-N 3.37Å; H1942-T1945 PolarHBondContact O-OG1 3.26Å; H1942-T1945 VanDerWaalsContact O-OG1 3.05Å; D1943-T1945 VanDerWaalsContact C-N 3.3Å; D1943-T1945 PolarHBondContact O-N 3.06Å; T1945-Q1947 VanDerWaalsContact C-N 3.3Å; T1945-Q1947 PolarHBondContact O-N 3.03Å; T1945-Q1947 VanDerWaalsContact O-N 3.14Å; T1945-R1948 WeakPolarHBondContact O-CA 3.43Å; T1945-R1948 PolarHBondContact O-N 3.17Å; T1945-E1949 PolarHBondContact O-N 3.17Å
1946R37.1Very low41.2Very low194.4 Ų194.4127.7 Ų127.773%0.73466%0.659SS**Hα-helixtrans-71.8-14.8-179.3-87.1-176.9164.3174.7-4.2115.5H1942 D1943 R1948H1942-R1946 PolarHBondContact O-N 3.11Å; H1942-R1946 VanDerWaalsContact O-N 3.11Å; D1943-R1946 PolarHBondContact O-N 2.94Å; R1946-R1948 VanDerWaalsContact C-N 3.29Å; R1946-R1948 PolarHBondContact O-N 3.32Å
1947Q39.4Very low39.9Very low173.2 Ų173.2130.4 Ų130.481%0.80967%0.673SS**THydrogen-bonded Turntrans-96.21.2172.3-73.6-167.8-24.100114.1D1943 T1945 T1951D1943-Q1947 PolarHBondContact O-N 3.2Å; T1945-Q1947 VanDerWaalsContact C-N 3.3Å; T1945-Q1947 PolarHBondContact O-N 3.03Å; T1945-Q1947 VanDerWaalsContact O-N 3.14Å; Q1947-T1951 PolarHBondContact O-OG1 2.97Å
1948R34.6Very low38.9Very low200.2 Ų200.2133.5 Ų133.576%0.75569%0.689SS**THydrogen-bonded Turntrans-111.5-11-178.2-154.4169.8-178.5169.70.2114.6T1945 R1946 Q1950 T1951 D1952T1945-R1948 WeakPolarHBondContact O-CA 3.43Å; T1945-R1948 PolarHBondContact O-N 3.17Å; R1946-R1948 VanDerWaalsContact C-N 3.29Å; R1946-R1948 PolarHBondContact O-N 3.32Å; R1948-Q1950 VanDerWaalsContact C-N 3.28Å; R1948-Q1950 PolarHBondContact O-N 3.17Å; R1948-T1951 PolarHBondContact O-N 3.44Å; R1948-T1951 PolarHBondContact O-OG1 3.27Å; R1948-T1951 VanDerWaalsContact O-OG1 3.12Å; R1948-D1952 WeakPolarHBondContact CG-OD2 3.43Å; R1948-D1952 PolarHBondContact O-N 3.46Å
1949E36.8Very low38Very low159 Ų159130.8 Ų130.874%0.74369%0.693SS**SBendtrans-96.95.6174.6-67-178.9129.600113.1T1945T1945-E1949 PolarHBondContact O-N 3.17Å
1950Q36.9Very low36.9Very low177.2 Ų177.2134.9 Ų134.983%0.82871%0.712SS**SBendtrans-111.710178.6-150.9168.325.700113.8R1948R1948-Q1950 VanDerWaalsContact C-N 3.28Å; R1948-Q1950 PolarHBondContact O-N 3.17Å
1951T34.4Very low36.2Very low103.4 Ų103.4131.6 Ų131.663%0.63472%0.718SS**SBendtrans-128.578.4170.849.50000110.5Q1947 R1948 N1953Q1947-T1951 PolarHBondContact O-OG1 2.97Å; R1948-T1951 PolarHBondContact O-N 3.44Å; R1948-T1951 PolarHBondContact O-OG1 3.27Å; R1948-T1951 VanDerWaalsContact O-OG1 3.12Å; T1951-N1953 PolarHBondContact O-N 2.91Å
1952D33.5Very low35.4Very low142.6 Ų142.6133.6 Ų133.676%0.76373%0.732SS**SBendtrans166.356.6176.6-69.7-30.9000113R1948R1948-D1952 WeakPolarHBondContact CG-OD2 3.43Å; R1948-D1952 PolarHBondContact O-N 3.46Å
1953N34.3Very low34.8Very low152.8 Ų152.8135.3 Ų135.382%0.81774%0.74SS**  trans-156.682.8161.2-95.8-43.6000112.1T1951T1951-N1953 PolarHBondContact O-N 2.91Å
1954I33.4Very low34.2Very low166.8 Ų166.8138.4 Ų138.486%0.85575%0.751SS**  trans-147.7115.3161.8-66.6170.7000108.6
1955T32.4Very low33.8Very low118.4 Ų118.4139.3 Ų139.373%0.72676%0.761SS**  trans-152.8136.8143.8-57.40000111.5
1956C28.6Very low33.4Very low115 Ų115141.2 Ų141.278%0.77778%0.777SS**  trans-112.8124.2159.2-64.60000115.1
1957N31.8Very low33.2Very low147.4 Ų147.4137 Ų13779%0.78878%0.777SS**  trans-133.2139.9133.6-78.1-22.3000113.7
1958I33Very low33Very low162 Ų162132.9 Ų132.983%0.83177%0.773SS**  trans158.6144131.2-86.3158.8000112.3
1959S31.7Very low33Very low99.2 Ų99.2129.7 Ų129.769%0.69477%0.771SS**  trans-101.1163.2-17857.40000116.5
1960T31.1Very low33Very low140 Ų140129.3 Ų129.386%0.85977%0.769SS**  trans93.8139.5157.757.90000118.9
1961G31.8Very low32.7Very low77 Ų77128 Ų12879%0.79477%0.765SS**  trans113.5127.2156.700000116.2
1962S31.5Very low32.6Very low108.2 Ų108.2128.7 Ų128.776%0.75777%0.769SS**  trans176.7126.414197.80000115.6
1963Q33.4Very low32.6Very low165 Ų165130.4 Ų130.477%0.77177%0.772SS**  trans81.6137.8150.9-77174.9-56.700117.9
1964E31.1Very low32.7Very low177.2 Ų177.2128.2 Ų128.283%0.82877%0.766SS**  74.7138.6118-72.6175.9179.300117.1
1965G32.2Very low32.6Very low74.4 Ų74.4125.4 Ų125.477%0.76776%0.761SS**  trans126103149.200000118.9
1966S32.9Very low32.7Very low112.2 Ų112.2124.4 Ų124.479%0.78576%0.76SS**  trans66.5139.6134.2-165.10000120.4
1967S33.6Very low32.9Very low106 Ų106125.8 Ų125.874%0.74176%0.76SS**  trans75.7128.9145.1-12.90000120.7
1968A35Very low32.9Very low87.2 Ų87.2128.9 Ų128.972%0.72176%0.76SS**  93.9142.7103.600000116.7
1969D34Very low32.9Very low132.2 Ų132.2127.7 Ų127.771%0.70775%0.751SS**  166.6142.6111.6-87.9-42.4000114.9
1970Q36.1Very low32.9Very low151.2 Ų151.2130.8 Ų130.871%0.70775%0.754SS**  122.7145.7101.6-89.117247.800115.2
1971M30.7Very low32.9Very low150.8 Ų150.8131.4 Ų131.474%0.74375%0.75SS**  106.4153.697.6-93.6-178.9133.200117.8
1972T33.2Very low32.8Very low117.2 Ų117.2132.3 Ų132.372%0.71975%0.745SS**  113.5144.710225.20000117.8
1973Q32.7Very low32.8Very low177.4 Ų177.4132.9 Ų132.983%0.82974%0.744SS**  trans165.4171.6134.2-97.5-163.97.900111.8
1974P37.1Very low32.6Very low106.6 Ų106.6131.8 Ų131.869%0.69274%0.744SS**  cis-141.2-170.4-44.543.5-25.5000116.6
1975S31.7Very low32.6Very low107.8 Ų107.8127.9 Ų127.975%0.75474%0.736SS**  trans81.7147.3170.7740000118.3
1976S34.2Very low32.5Very low98.4 Ų98.4132.8 Ų132.869%0.68874%0.736SS**  175.7131.3130-150.70000114
1977N32.9Very low32.5Very low145.4 Ų145.4135.2 Ų135.278%0.77874%0.735SS**  trans64.9141.4136.3-62.8-37.7000119.8
1978R31.3Very low32.3Very low211.2 Ų211.2137 Ų13780%0.79773%0.734SS**  cis163.2152.445.9-130.7172.4171.7173.3-0.9114.5
1979H32.8Very low32.2Very low136.8 Ų136.8140.8 Ų140.863%0.63374%0.737SS**  trans36.8142.3165.3-63.7-55.5000116I1981H1979-I1981 PolarHBondContact O-N 3.35Å
1980Q31Very low32.4Very low165 Ų165139.6 Ų139.677%0.77174%0.736SS**  cis159.6122.237.2-133.4175.9-17.900111.3
1981I31.6Very low32.4Very low151.8 Ų151.8137.8 Ų137.878%0.77874%0.738SS**  trans-179136.7138.9-75.2173.9000112H1979H1979-I1981 PolarHBondContact O-N 3.35Å
1982S29.2Very low32.5Very low97.2 Ų97.2140.1 Ų140.168%0.6874%0.744SS**  trans-165.6154.7178.2-45.40000112.8
1983T31.9Very low32.3Very low120.8 Ų120.8141.7 Ų141.774%0.74175%0.748SS**  155.5142.183.442.30000111
1984D29.9Very low32.3Very low142 Ų142139.5 Ų139.576%0.75975%0.747SS**  cis-161.9142.216-98.7-24000113.2
1985S31.4Very low31.8Very low94.6 Ų94.6141 Ų14166%0.66275%0.749SS**  trans107158134.5153.60000115.9
1986F29.4Very low31.7Very low177.4 Ų177.4146.5 Ų146.578%0.77876%0.755SS**  trans-169.2117.4157.8-82.7-90.6000115.4
1987H31.6Very low31.5Very low162 Ų162146.5 Ų146.575%0.7576%0.755SS**  trans175.8146.7138.3-87.9-89.5000113
1988I31.2Very low31.3Very low143 Ų143146.9 Ų146.973%0.73376%0.757SS**  -152141.356.1-79.3166.3000109.3
1989H32.6Very low31.4Very low168.4 Ų168.4145.2 Ų145.278%0.7876%0.758SS**  trans-148.7151.6154.8-104-53.7000112.3
1990P36.8Very low31.2Very low106.8 Ų106.8144.3 Ų144.369%0.69476%0.762SS**  trans-104.1-163.5164.639.5-30.2000111.1
1991P37.5Very low31.2Very low113.4 Ų113.4144.4 Ų144.474%0.73676%0.76SS**  cis-119.2-179-41.137.5-23.7000114.2
1992K31.8Very low31.2Very low199.4 Ų199.4142.9 Ų142.987%0.86775%0.75SS**  trans174.4132.7135.5-92.8176.3-179.8178.20116.5
1993N29.2Very low31.3Very low149.4 Ų149.4148.6 Ų148.680%0.79976%0.756SS**  trans-66.3142.2159.6-68.8-14.1000115.3
1994T32.2Very low31.2Very low132.6 Ų132.6151.8 Ų151.881%0.81376%0.755SS**  trans-167.1120.2141.3360000114.4
1995N27.4Very low31.3Very low137.6 Ų137.6156 Ų15674%0.73676%0.76SS**  trans-36.7158.1150.5-67.6-19.3000117
1996Y29.8Very low31.2Very low222.8 Ų222.8158.9 Ų158.987%0.87477%0.768SS**  trans88.9141.1163.9-68.4-83.5000113.7
1997S30.8Very low31.3Very low98.4 Ų98.4154.1 Ų154.169%0.68877%0.769SS**  cis-165.7151.46.862.10000112.4Q1999S1997-Q1999 PolarHBondContact O-N 3.25Å
1998N28.5Very low31.2Very low153.6 Ų153.6157.8 Ų157.882%0.82178%0.776SS**  trans-45.2136.6157.6-75.3-32000115.1
1999Q32.3Very low31.1Very low175.6 Ų175.6160.2 Ų160.282%0.82178%0.781SS**  trans173.7133.8135.9-99.8175.564.800114.2S1997S1997-Q1999 PolarHBondContact O-N 3.25Å
2000T29.8Very low31.2Very low118 Ų118157.3 Ų157.372%0.72478%0.778SS**  -64.4143.612531.50000113.8
2001K30.5Very low30.9Very low166.8 Ų166.8156.8 Ų156.873%0.72578%0.777SS**  -174.2148.790.5-107.9173.5179.4-173.10116.2D2051K2001-D2051 IonicContact NZ-OD1 2.65Å; K2001-D2051 IonicContact NZ-OD2 3.46Å; K2001-D2051 PolarHBondContact NZ-OD2 2.85Å
2002E31.4Very low30.6Very low121.8 Ų121.8159.7 Ų159.757%0.56978%0.778SS**  trans38.6145.7145.3-61.7174.9145.100119.1K2050E2002-K2050 WeakPolarHBondContact OE1-CA 3.47Å; E2002-K2050 WeakPolarHBondContact OE1-CG 3.41Å; E2002-K2050 PolarHBondContact OE1-N 2.96Å; E2002-K2050 WeakPolarHBondContact OE2-CE 3.43Å; E2002-K2050 WeakPolarHBondContact OE2-CG 3.5Å; E2002-K2050 IonicContact OE2-NZ 3.52Å
2003R30.7Very low30.5Very low215.2 Ų215.2159.1 Ų159.181%0.81278%0.776SS**  cis-154.515736.4-136.6165.9-175.4-179.6-1.2112.8E2049R2003-E2049 WeakPolarHBondContact CA-OE1 3.38Å; R2003-E2049 WeakPolarHBondContact CG-OE1 3.49Å
2004R30.1Very low30.5Very low189.8 Ų189.8156.3 Ų156.372%0.71677%0.768SS**  trans-69.7147.1169.7-58.4169.9175.2162.7-5.6115T2048 E2049R2004-T2048 PolarHBondContact NE-OG1 3.45Å; R2004-T2048 PolarHBondContact NH2-O 3.39Å; R2004-T2048 PolarHBondContact NH2-OG1 3.21Å; R2004-E2049 WeakPolarHBondContact CD-OE2 3.37Å; R2004-E2049 WeakPolarHBondContact CG-OE1 3.31Å; R2004-E2049 IonicContact CZ-OE2 3.12Å; R2004-E2049 PolarHBondContact N-OE1 2.9Å; R2004-E2049 IonicContact NE-OE2 2.73Å; R2004-E2049 IonicContact NH1-OE2 3.71Å; R2004-E2049 PolarHBondContact NH1-OE2 3.49Å
2005R32.7Very low30.4Very low228.8 Ų228.8156.9 Ų156.986%0.86376%0.764SS**  178.5131.3112.1-101.6164.5-179.3177.8-0.9112.1
2006N29.1Very low30.4Very low156.2 Ų156.2159.5 Ų159.584%0.83577%0.769SS**  63.8124.285.6-74.213.1000117.1
2007G31Very low30.4Very low76.4 Ų76.4157.9 Ų157.979%0.78877%0.767SS**  trans150.395.8170.300000116.5
2008R29.2Very low30.3Very low239.8 Ų239.8160.8 Ų160.891%0.90577%0.773SS**  103.3121.981.7-105.8-176.9-177.3-176.41.3116.7
2009F30.2Very low30.3Very low192.4 Ų192.4158 Ų15884%0.84477%0.767SS**  trans11.6166146.5-80.4-84.1000117.4
2010P34.8Very low30.3Very low107.8 Ų107.8155.6 Ų155.670%0.776%0.763SS**  cis-131.2159.22235.7-23.3000116
2011S30.1Very low30.5Very low96 Ų96155.2 Ų155.267%0.67176%0.763SS**  trans68.3145.3139.472.70000116.5
2012K30.9Very low30.4Very low175.8 Ų175.8153.8 Ų153.876%0.76476%0.763SS**  cis-167.1152.412.5-106.3167-176.9175.30110.1
2013F29.7Very low30.3Very low186.4 Ų186.4154.7 Ų154.782%0.81877%0.77SS**  158.9176.1103.3-104.4-82000115.5
2014S28.7Very low30.3Very low91.2 Ų91.2152.5 Ų152.564%0.63877%0.769SS**  trans-133145.6-134.6-83.20000114.8K2016S2014-K2016 PolarHBondContact O-N 2.98Å
2015I29.8Very low30.2Very low144 Ų144148.8 Ų148.874%0.73877%0.772SS**  25.2128107.4-74166000115K2017I2015-K2017 HydrophobicContact CG2-CB 4.32Å; I2015-K2017 HydrophobicContact CG2-CG 4.13Å
2016K28.8Very low30.1Very low193.4 Ų193.4141.5 Ų141.584%0.84177%0.768SS**  trans-173.5135150.1-78.7173.4-173.71780112.4S2014S2014-K2016 PolarHBondContact O-N 2.98Å
2017K28.8Very low30.1Very low187.6 Ų187.6139.5 Ų139.582%0.81677%0.766SS**  62.8116.161.5-94.1-169.5175.8-173.40112.9I2015I2015-K2017 HydrophobicContact CG2-CB 4.32Å; I2015-K2017 HydrophobicContact CG2-CG 4.13Å
2018L28.6Very low30Very low159.2 Ų159.2146 Ų14683%0.83477%0.767SS**  171.5155.6129.8-143.365.6000112.9
2019S29.7Very low30.1Very low96.6 Ų96.6142 Ų14268%0.67676%0.759SS**  trans157.4146.6-176.638.10000113.1P2021S2019-P2021 WeakPolarHBondContact O-CD 3.47Å
2020V31.4Very low30.1Very low123.6 Ų123.6140.4 Ų140.475%0.74975%0.754SS**  -94137.6128.3178.30000109.8D2022V2020-D2022 PolarHBondContact O-N 2.68Å
2021P34.4Very low29.9Very low110.4 Ų110.4140.9 Ų140.972%0.71776%0.758SS**  trans-116.4148139.132.2-19.4000112.5S2019 I2023S2019-P2021 WeakPolarHBondContact O-CD 3.47Å; P2021-I2023 PolarHBondContact O-N 3.43Å
2022D27.9Very low29.8Very low136.4 Ų136.4143.2 Ų143.273%0.72976%0.757SS**  trans-27.8140.3142-80-38.7000117.8V2020V2020-D2022 PolarHBondContact O-N 2.68Å
2023I28.9Very low29.8Very low141.6 Ų141.6141.5 Ų141.573%0.72676%0.762SS**  trans63.1114.4146-55.9165.1000117.7P2021P2021-I2023 PolarHBondContact O-N 3.43Å
2024H31.2Very low29.8Very low168.8 Ų168.8139.3 Ų139.378%0.78175%0.753SS**  trans115.1122.9133.6-94.3-81.7000119.7
2025S28.6Very low29.7Very low112.2 Ų112.2143.8 Ų143.879%0.78576%0.762SS**  trans26.9131.6144.959.40000120.5
2026G30.3Very low29.6Very low75.2 Ų75.2140.9 Ų140.978%0.77576%0.755SS**  trans175.299.916400000116.5
2027S29.1Very low29.7Very low114.6 Ų114.6138.4 Ų138.480%0.80175%0.751SS**  trans-21.9131.4170.756.20000117.5
2028R28.8Very low29.7Very low212.6 Ų212.6140.6 Ų140.680%0.80275%0.754SS**  101.3130.1129.8-106.8-174.8167167.11.2116.3
2029Q31.5Very low29.8Very low156.2 Ų156.2140.7 Ų140.773%0.7375%0.754SS**  153.6135.696.2-99.3165.4-49.100115
2030Q29.6Very low29.8Very low158 Ų158142.2 Ų142.274%0.73876%0.763SS**  trans16.4157.5142.9-75.4172.7-58.600115.1E2032Q2030-E2032 HydrophobicContact CB-CG 4.15Å; Q2030-E2032 HydrophobicContact CG-CG 4.24Å; Q2030-E2032 VanDerWaalsContact NE2-CG 3.34Å; Q2030-E2032 PolarHBondContact NE2-OE1 3.05Å
2031P31.8Very low29.7Very low120 Ų120144.4 Ų144.478%0.77976%0.762SS**  -121.6141.2104.236.7-27000113.8
2032E26.9Very low29.5Very low142.8 Ų142.8148.9 Ų148.967%0.66777%0.771SS**  trans-51.6143.4148.1-84.9176.2140.200112.9Q2030 H2034Q2030-E2032 HydrophobicContact CB-CG 4.15Å; Q2030-E2032 HydrophobicContact CG-CG 4.24Å; Q2030-E2032 VanDerWaalsContact NE2-CG 3.34Å; Q2030-E2032 PolarHBondContact NE2-OE1 3.05Å; E2032-H2034 PolarHBondContact O-N 3.29Å; E2032-H2034 VanDerWaalsContact O-N 3.17Å; E2032-H2034 IonicContact OE2-CG 3.85Å
2033V31Very low29.6Very low141.2 Ų141.2151.1 Ų151.186%0.85677%0.77SS**  trans-126.7117.4141.6-163.70000107.1
2034H28.8Very low29.8Very low138.8 Ų138.8155 Ų15564%0.64378%0.778SS**  trans-105.7144.9162.5-124.5-126.7000110.5E2032 S2036E2032-H2034 PolarHBondContact O-N 3.29Å; E2032-H2034 VanDerWaalsContact O-N 3.17Å; E2032-H2034 IonicContact OE2-CG 3.85Å; H2034-S2036 PolarHBondContact ND1-OG 2.82Å
2035F26.7Very low29.7Very low185.6 Ų185.6151.3 Ų151.381%0.81477%0.77SS**  -166.2120.1129.3-137.4-101.7000110.4
2036S29Very low29.9Very low84.4 Ų84.4151.8 Ų151.859%0.5977%0.771SS**  trans114.6144.6138.2-52.10000117.1H2034H2034-S2036 PolarHBondContact ND1-OG 2.82Å
2037D29.5Very low29.9Very low141.6 Ų141.6155.7 Ų155.776%0.75777%0.773SS**  trans32.3128.9163.5-63-33.8000119.6
2038R30.6Very low30Very low233.4 Ų233.4155.7 Ų155.788%0.88177%0.768SS**  trans-157100.7140-84.9176.7-159.7-148.6-1.5113.7
2039L29.7Very low30.1Very low161.6 Ų161.6152.1 Ų152.185%0.84676%0.761SS**  12.2134.4128.3-84166000114.1K2041L2039-K2041 PolarHBondContact O-N 3.28Å; L2039-K2041 VanDerWaalsContact O-N 3.1Å
2040C30.5Very low30.1Very low126.6 Ų126.6151.7 Ų151.786%0.85576%0.757SS**  trans-169.6114.7157.8-96.70000113.4
2041K28.5Very low30.1Very low169.6 Ų169.6150.1 Ų150.174%0.73775%0.753SS**  trans-133.7121.4155.6-118.8-179.1-179.3-176.70111.3L2039 Y2043L2039-K2041 PolarHBondContact O-N 3.28Å; L2039-K2041 VanDerWaalsContact O-N 3.1Å; K2041-Y2043 HydrophobicContact CD-CE2 4.23Å; K2041-Y2043 PolarHBondContact NZ-OH 3.07Å
2042K30.8Very low30Very low205.8 Ų205.8150.5 Ų150.590%0.89575%0.753SS**  trans-147127.3145.4-107178.9-179.9-178.60110
2043Y30.4Very low30.1Very low182.6 Ų182.6150.8 Ų150.872%0.71676%0.759SS**  trans-70.4148.2159.1-77.1-106.8000110.5K2041K2041-Y2043 HydrophobicContact CD-CE2 4.23Å; K2041-Y2043 PolarHBondContact NZ-OH 3.07Å
2044Y32.1Very low30.1Very low223.8 Ų223.8150.3 Ų150.388%0.87876%0.756SS**  -155.6157.1107.8-109.7-79.4000110.3
2045S28.4Very low30.1Very low90.2 Ų90.2148.2 Ų148.263%0.63176%0.757SS**  trans-111.3163.8-158.1-12.70000112.6L2047S2045-L2047 PolarHBondContact O-N 3.05Å; S2045-L2047 VanDerWaalsContact O-N 3.08Å
2046P34Very low30.2Very low122.4 Ų122.4147.2 Ų147.280%0.79576%0.755SS**  trans-92.1149.6-172.936.5-33.1000113.6
2047L31.1Very low30.3Very low157.6 Ų157.6152.8 Ų152.883%0.82577%0.765SS**  trans-142.3135.2164.7-95.4156.3000109.3S2045S2045-L2047 PolarHBondContact O-N 3.05Å; S2045-L2047 VanDerWaalsContact O-N 3.08Å
2048T30.8Very low30.2Very low114.2 Ų114.2151.4 Ų151.470%0.70177%0.765SS**  trans35.2138.7138.5520000114.8R2004R2004-T2048 PolarHBondContact NE-OG1 3.45Å; R2004-T2048 PolarHBondContact NH2-O 3.39Å; R2004-T2048 PolarHBondContact NH2-OG1 3.21Å
2049E30.9Very low30Very low137.6 Ų137.6145.1 Ų145.164%0.64376%0.755SS**  115.5141.295.5-141.9-174.7-153.200115.8R2003 R2004R2003-E2049 WeakPolarHBondContact CA-OE1 3.38Å; R2003-E2049 WeakPolarHBondContact CG-OE1 3.49Å; R2004-E2049 WeakPolarHBondContact CD-OE2 3.37Å; R2004-E2049 WeakPolarHBondContact CG-OE1 3.31Å; R2004-E2049 IonicContact CZ-OE2 3.12Å; R2004-E2049 PolarHBondContact N-OE1 2.9Å; R2004-E2049 IonicContact NE-OE2 2.73Å; R2004-E2049 IonicContact NH1-OE2 3.71Å; R2004-E2049 PolarHBondContact NH1-OE2 3.49Å
2050K30.8Very low30Very low147.6 Ų147.6146.8 Ų146.864%0.64276%0.756SS**  trans102.3121.1145-77.5178.7179166.70119.2E2002E2002-K2050 WeakPolarHBondContact OE1-CA 3.47Å; E2002-K2050 WeakPolarHBondContact OE1-CG 3.41Å; E2002-K2050 PolarHBondContact OE1-N 2.96Å; E2002-K2050 WeakPolarHBondContact OE2-CE 3.43Å; E2002-K2050 WeakPolarHBondContact OE2-CG 3.5Å; E2002-K2050 IonicContact OE2-NZ 3.52Å
2051D29.3Very low30Very low124 Ų124147.6 Ų147.666%0.66375%0.752SS**  54125.2107.1-67.5-24.4000116.5K2001K2001-D2051 IonicContact NZ-OD1 2.65Å; K2001-D2051 IonicContact NZ-OD2 3.46Å; K2001-D2051 PolarHBondContact NZ-OD2 2.85Å
2052V31.3Very low30.3Very low129.8 Ų129.8144.5 Ų144.579%0.78775%0.75SS**  174.8131.6107.4158.90000112.6
2053N28.5Very low30.3Very low148.6 Ų148.6141.4 Ų141.480%0.79574%0.743SS**  trans12.1142.8153.5-77.8-12.8000116.1
2054V31.3Very low30.4Very low130.2 Ų130.2139.5 Ų139.579%0.78975%0.745SS**  178.6153.351.9150.50000110.1
2055S27.8Very low30.2Very low95.2 Ų95.2135.4 Ų135.467%0.66674%0.738SS**  trans-41.3157.6179.357.70000115.3
2056E29.7Very low30.3Very low164.2 Ų164.2141.6 Ų141.677%0.76775%0.749SS**  cis-171.9150.925.5-112.5164.3153.900110.9
2057Y30.1Very low30Very low201.4 Ų201.4144 Ų14479%0.7975%0.748SS**  35.4143.684.9-91.5-71.3000116.6C2059Y2057-C2059 WeakPolarHBondContact CD1-SG 3.21Å; Y2057-C2059 WeakPolarHBondContact CE1-SG 3.43Å
2058C27.1Very low29.9Very low112 Ų112143.5 Ų143.576%0.75774%0.741SS**  trans159.4139.1-179.9-98.20000112.7
2059C27.6Very low29.8Very low101.6 Ų101.6144.9 Ų144.969%0.68674%0.74SS**  trans24.9137148.6-61.50000117.3Y2057Y2057-C2059 WeakPolarHBondContact CD1-SG 3.21Å; Y2057-C2059 WeakPolarHBondContact CE1-SG 3.43Å
2060F28.4Very low29.8Very low197 Ų197143.9 Ų143.986%0.86474%0.743SS**  trans171.5131.5148.3-80.2-78.3000113.5
2061D30.5Very low29.7Very low144.4 Ų144.4143.2 Ų143.277%0.77275%0.745SS**  trans-98.9164.5159.1-89.3-35.3000113.9
2062P35.5Very low29.8Very low104.8 Ų104.8146.2 Ų146.268%0.68175%0.752SS**  trans-102.9164.7-162.739.9-33.1000113.3
2063D30.7Very low29.7Very low140.8 Ų140.8147 Ų14775%0.75375%0.752SS**  trans144.4130.4143.5-93.3-17000116.1
2064N32Very low29.8Very low141.4 Ų141.4149.6 Ų149.676%0.75676%0.756SS**  trans145.9137.6132.1-90.9-67.7000117.3
2065N29.4Very low29.8Very low138.6 Ų138.6147.2 Ų147.274%0.74175%0.75SS**  trans-45.4152.6154.6-67.3-58.1000115.1
2066Y29.8Very low30Very low219.4 Ų219.4149.7 Ų149.786%0.8676%0.756SS**  trans161.7151.2146.3-90.5-83.5000112.8
2067F28Very low30Very low173.8 Ų173.8147.7 Ų147.776%0.76275%0.749SS**  trans-92.9133.8168.8-128.3-110.1000112.5
2068E29.4Very low30.1Very low146.4 Ų146.4148.1 Ų148.168%0.68475%0.751SS**  -150.2167.9109.1-145.1173.2-174.700115.4
2069Q28.4Very low30.2Very low144.4 Ų144.4147.5 Ų147.568%0.67575%0.748SS**  trans10.3132.5166.9-57.3172.832.800118.1
2070T30.1Very low30.5Very low116.6 Ų116.6148.8 Ų148.872%0.71575%0.753SS**  -176.3127.695.6-29.50000116.3
2071I29.1Very low30.7Very low133.2 Ų133.2147.2 Ų147.268%0.68375%0.748SS**  trans35.1117.7144.4-64158.8000118.9
2072K30.8Very low31Very low187.2 Ų187.2145.5 Ų145.581%0.81474%0.744SS**  trans-160.5126.9136.2-89.6156.4-170.8167.50113.7
2073N29Very low30.8Very low146 Ų146147.7 Ų147.778%0.78175%0.75SS**  trans138.9127142.6-65.1-20.1000115.3
2074K31.2Very low30.8Very low203.6 Ų203.6148.2 Ų148.289%0.88575%0.752SS**  178.2114.2113.6-138.3178.6-178.2-177.70113.1
2075A32.1Very low30.9Very low78.8 Ų78.8146.4 Ų146.465%0.65175%0.751SS**  64.7134.6124.900000113.6
2076N31.2Very low31Very low148.2 Ų148.2144.8 Ų144.879%0.79375%0.751SS**  105.5142.183.5-77.1-2000112.9
2077L28.9Very low31.1Very low121.4 Ų121.4143.7 Ų143.764%0.63675%0.751SS**  cis177.5146.212-151.380.3000111.6
2078Y33.1Very low31.4Very low210.2 Ų210.2141.1 Ų141.182%0.82475%0.749SS**  142.2145.8126.8-80.9-60000115
2079S29.8Very low31.6Very low98.8 Ų98.8137.4 Ų137.469%0.69175%0.75SS**  trans-153.7156.9-15855.70000111.6
2080V32.4Very low31.8Very low130.2 Ų130.2137.3 Ų137.379%0.78976%0.755SS**  trans70.3121.9156.3-179.90000114.3
2081H33Very low32Very low163.4 Ų163.4137.7 Ų137.776%0.75675%0.752SS**  -178.2150126.9-111.2-71.9000113.8
2082P36.3Very low32.3Very low108 Ų108137.8 Ų137.870%0.70175%0.754SS**  trans-116.6160.2159.935.1-25.9000113.6
2083L32.2Very low32.3Very low151.8 Ų151.8134.9 Ų134.980%0.79575%0.752SS**  trans-178.1138.8152-73.5161.3000113.8
2084N31.5Very low32.6Very low150 Ų150133.9 Ų133.980%0.80275%0.75SS**  -144.8144.3114.7-105.1-13.2000112.1
2085S32.5Very low32.6Very low104.8 Ų104.8131.3 Ų131.373%0.73375%0.746SS**  trans171.8143.6140.252.20000115.1
2086S32.8Very low32.5Very low104.8 Ų104.8131.4 Ų131.473%0.73375%0.747SS**  trans71.7140.8156.260.70000117.4
2087F31.4Very low32.4Very low195.4 Ų195.4133.8 Ų133.886%0.85775%0.75SS**  trans-179.6121.2139.5-125.2-105.3000114.6
2088T33.6Very low32.6Very low119.6 Ų119.6133.8 Ų133.873%0.73476%0.756SS**  trans-114.7141.2152.2540000113.7
2089G34.2Very low32.6Very low68.6 Ų68.6130.7 Ų130.771%0.70775%0.751SS**  cis174.5175.533.800000111.5
2090N33.7Very low32.7Very low143.4 Ų143.4132.4 Ų132.477%0.76775%0.753SS**  cis-173.3147.1-47.6-89.612.8000110.4
2091N33.2Very low32.7Very low124.2 Ų124.2134.1 Ų134.166%0.66475%0.75SS**  107.3161.9113.1-89.428.5000117
2092D34.4Very low32.7Very low135.4 Ų135.4132.6 Ų132.672%0.72474%0.743SS**  trans75.3139155.5-61.5-29.7000118.3
2093V32.5Very low32.5Very low125.4 Ų125.4137.8 Ų137.876%0.7675%0.749SS**  cis126.7149.412.6160.60000112.7
2094V33.6Very low32.5Very low125 Ų125137.4 Ų137.476%0.75875%0.748SS**  trans90.2120165.9-171.70000117.9
2095D31.9Very low32.4Very low149.6 Ų149.6139.1 Ų139.180%0.875%0.748SS**  trans40.1141.4136.7-78.3-50.2000120.1
2096A30.1Very low32.2Very low80.8 Ų80.8139.5 Ų139.567%0.66875%0.749SS**  135140.4118.900000118.6
2097K30.2Very low32.1Very low198.2 Ų198.2141.8 Ų141.886%0.86275%0.752SS**  trans84135.5149.3-79.3169-179172.30118.2
2098V31.3Very low32Very low122.6 Ų122.6139.6 Ų139.674%0.74375%0.749SS**  95.5142.5101163.50000113.2
2099I34Very low31.8Very low143.8 Ų143.8141.6 Ų141.674%0.73776%0.755SS**  trans87.8123.3142.2-65.5172.6000114.9
2100N31.8Very low31.6Very low136.4 Ų136.4141.5 Ų141.573%0.72975%0.754SS**  trans65.4146.9158.9-77.9-23.1000114.5
2101K32.6Very low31.4Very low165.6 Ų165.6144.2 Ų144.272%0.7276%0.759SS**  179.6147.374-149175.4178.4-155.70111.6
2102E33.2Very low31.1Very low131.2 Ų131.2142.7 Ų142.761%0.61376%0.758SS**  37.3129.9124.2-101.7144.5-144.200115.9
2103R32.4Very low30.8Very low217 Ų217144 Ų14482%0.81976%0.76SS**  -151.8130.8123.2-90.2163.3-174175.2-0.1114
2104N31.1Very low30.7Very low144.4 Ų144.4146.3 Ų146.377%0.77276%0.76SS**  -31.9141126.5-71.1-40.1000113.9
2105K30.3Very low30.4Very low184.4 Ų184.4146.5 Ų146.580%0.80276%0.757SS**  150.6142.4119.6-89.3-178.1178.2-175.10111.9
2106C27.9Very low30.3Very low113.2 Ų113.2146.2 Ų146.277%0.76576%0.755SS**  cis-157.9147.549.8-72.90000111.9
2107L29.6Very low30.2Very low152.8 Ų152.8149.9 Ų149.980%0.876%0.761SS**  89.4119.4110.4-95.8154.6000115.9
2108L29.9Very low30.1Very low150.6 Ų150.6148.6 Ų148.679%0.78876%0.76SS**  trans154.5126.9150.6-107.3138.7000113.7
2109N29.1Very low29.9Very low162 Ų162149.3 Ų149.387%0.86676%0.759SS**  trans175.1140.5148.6-81.8-21.2000112.6
2110G30.7Very low29.8Very low65.4 Ų65.4148.4 Ų148.467%0.67476%0.76SS**  cis177.2111.212.800000112.2
2111K28.4Very low29.6Very low199.4 Ų199.4148.3 Ų148.387%0.86776%0.76SS**  63.6143.6128.7-75.4-170.2172.5-168.30114.6E2113K2111-E2113 IonicContact NZ-OE1 2.68Å; K2111-E2113 PolarHBondContact NZ-OE1 3.48Å
2112S27.3Very low29.4Very low94.4 Ų94.4146.9 Ų146.966%0.6677%0.765SS**  cis-164.4143.8-11.757.30000111.8
2113E29.4Very low29.3Very low161.6 Ų161.6144.2 Ų144.276%0.75577%0.773SS**  165.1148.7112-85.2167.6-177.700113.6K2111K2111-E2113 IonicContact NZ-OE1 2.68Å; K2111-E2113 PolarHBondContact NZ-OE1 3.48Å
2114F29.3Very low29Very low173.4 Ų173.4144.8 Ų144.876%0.76178%0.775SS**  128.1126.4103.1-112.9-102.6000115.8N2116F2114-N2116 HydrophobicContact CD1-CB 3.93Å; F2114-N2116 HydrophobicContact CE1-CB 4.02Å
2115N28Very low28.9Very low130.6 Ų130.6146.8 Ų146.870%0.69878%0.777SS**  trans29.9131.9150.9-75.9-16.8000117
2116N30.3Very low28.8Very low142 Ų142142.4 Ų142.476%0.75977%0.769SS**  trans136.3143.6137.9-75.6-30000114.9F2114F2114-N2116 HydrophobicContact CD1-CB 3.93Å; F2114-N2116 HydrophobicContact CE1-CB 4.02Å
2117M27.5Very low28.9Very low158.2 Ų158.2144.9 Ų144.978%0.77977%0.769SS**  69.9112.3111-146.41636600116.9
2118M28.7Very low29Very low171.2 Ų171.2146.5 Ų146.584%0.84377%0.77SS**  90.212492.4-118.4171-171.500116.2V2120M2118-V2120 PolarHBondContact O-N 3.22Å
2119N27.3Very low28.9Very low137.4 Ų137.4145.8 Ų145.874%0.73577%0.767SS**  trans168.8119.4153.9-138.64.9000113.8N2121N2119-N2121 PolarHBondContact ND2-OD1 3.43Å; N2119-N2121 PolarHBondContact O-N 2.95Å
2120V30.3Very low29.2Very low125 Ų125143.6 Ų143.676%0.75876%0.762SS**  trans-124.4111.7143178.70000112.3M2118M2118-V2120 PolarHBondContact O-N 3.22Å
2121N27.4Very low29.1Very low134 Ų134144.8 Ų144.872%0.71776%0.76SS**  trans-70142.8157.8-87.1-31.3000114.2N2119N2119-N2121 PolarHBondContact ND2-OD1 3.43Å; N2119-N2121 PolarHBondContact O-N 2.95Å
2122T30Very low29.3Very low136.6 Ų136.6141.5 Ų141.584%0.83876%0.757SS**  155.2138.3124.940.80000115.4
2123G29.8Very low29.4Very low74.8 Ų74.8141.7 Ų141.777%0.77176%0.758SS**  trans120.698.515500000117.5
2124R27.3Very low29.5Very low230 Ų230142.8 Ų142.887%0.86876%0.76SS**  20.9127.294.7-126.7178.8-177.3169.51.5113.1
2125K28.3Very low29.6Very low185 Ų185141.9 Ų141.980%0.80476%0.758SS**  80.8143.9124.4-70174.9177.5-173.50115.6
2126S28.9Very low29.8Very low93.2 Ų93.2140.5 Ų140.565%0.65276%0.755SS**  cis172159.326.844.90000112.5
2127H29.7Very low29.9Very low164.4 Ų164.4141.8 Ų141.876%0.76176%0.756SS**  trans89.9130.9134.7-81.9-69.4000116.5
2128F30.1Very low30.2Very low186.8 Ų186.8140.2 Ų140.282%0.81975%0.751SS**  105.9121.7119.8-102.4-85.6000115.9
2129N28.7Very low30.5Very low135.6 Ų135.6137 Ų13773%0.72574%0.741SS**  trans-86.9171.5136.2-92.3-14.7000109.8
2130P35.4Very low30.8Very low116.6 Ų116.6138.3 Ų138.376%0.75774%0.74SS**  -143.817053.341.3-25000116.8
2131S28.3Very low31Very low91 Ų91139.3 Ų139.364%0.63674%0.741SS**  trans33.3142.4158.964.20000116.8
2132T32.6Very low31.2Very low130.4 Ų130.4139.6 Ų139.680%0.874%0.742SS**  153.4146.3118.334.20000113.7
2133S30.1Very low31.4Very low97.4 Ų97.4138.5 Ų138.568%0.68174%0.735SS**  cis-178.5157.8-19.6620000111.6
2134K31.7Very low31.7Very low185.2 Ų185.2142.1 Ų142.181%0.80574%0.735SS**  trans82.4144.8157.7-68.6-178.7172.5-174.40113
2135Q31.7Very low32Very low154.2 Ų154.2137.9 Ų137.972%0.72173%0.729SS**  cis-162.8149.18.8-99.6179.7-88.500110.2
2136T31Very low32.3Very low101.6 Ų101.6135.5 Ų135.562%0.62373%0.725SS**  cis-137.5172.30.2-14.10000108.1
2137E33.5Very low32.4Very low169.2 Ų169.2137.4 Ų137.479%0.79173%0.728SS**  trans54.2145.4151.4-65160.2-167.200116.7
2138D33.2Very low32.6Very low124.8 Ų124.8138.1 Ų138.167%0.66773%0.731SS**  cis-156.8179.3-16.4-144.4-9.6000110.6K2140D2138-K2140 IonicContact OD1-NZ 3.6Å; D2138-K2140 PolarHBondContact OD1-NZ 2.89Å; D2138-K2140 IonicContact OD2-NZ 3.81Å; D2138-K2140 PolarHBondContact OD2-NZ 3.09Å
2139T34.7Very low32.7Very low103.4 Ų103.4133.8 Ų133.863%0.63472%0.724SS**  trans-108.5145.9137.626.10000115.4
2140K34Very low32.8Very low164.6 Ų164.6134.2 Ų134.272%0.71673%0.726SS**  89.1148.2120-73.5161-171.9136.40114.8D2138D2138-K2140 IonicContact OD1-NZ 3.6Å; D2138-K2140 PolarHBondContact OD1-NZ 2.89Å; D2138-K2140 IonicContact OD2-NZ 3.81Å; D2138-K2140 PolarHBondContact OD2-NZ 3.09Å
2141L33.6Very low32.6Very low147 Ų147135.3 Ų135.377%0.7773%0.726SS**  cis-161.9143.811.5-115143.1000110.5
2142N33.4Very low32.8Very low139.8 Ų139.8139.3 Ų139.375%0.74873%0.734SS**  -152.5142.4124.5-78.8-21.2000114.3
2143T32.9Very low32.5Very low112.8 Ų112.8138.9 Ų138.969%0.69273%0.732SS**  141.1149.676.8-62.70000110.8L2145T2143-L2145 HydrophobicContact CG2-CD1 3.85Å; T2143-L2145 HydrophobicContact CG2-CG 4.04Å
2144I35.7Very low32.6Very low151 Ų151139.5 Ų139.577%0.77473%0.733SS**  trans149.6124.8140.8-74.7166.5000112.3
2145L35.4Very low32.4Very low141 Ų141135.9 Ų135.974%0.73873%0.731SS**  84153.185.9-75.1171.6000115.5T2143T2143-L2145 HydrophobicContact CG2-CD1 3.85Å; T2143-L2145 HydrophobicContact CG2-CG 4.04Å
2146L33.4Very low32.3Very low135.2 Ų135.2138.3 Ų138.371%0.70874%0.735SS**  cis148.3143.3-48.1-102169000114.1
2147N30.5Very low32.2Very low133.6 Ų133.6137.5 Ų137.571%0.71474%0.739SS**  trans78.6135.4143-93.9-13.3000119.5
2148Q35.1Very low32Very low178.6 Ų178.6136.7 Ų136.784%0.83574%0.739SS**  145.9127.8120.5-81.4172.819.800116.5
2149S32.6Very low31.9Very low97 Ų97139.6 Ų139.668%0.67875%0.75SS**  60.9127127103.40000119.2
2150N31Very low31.7Very low143 Ų143141 Ų14177%0.76575%0.754SS**  trans158.1149.5139.7-73.2-18000115.7
2151N30.4Very low31.6Very low141.4 Ų141.4141.3 Ų141.376%0.75676%0.755SS**  trans60.5138.2154.2-73.4-15.3000118.5
2152H31.4Very low31.5Very low173.4 Ų173.4142.3 Ų142.380%0.80376%0.756SS**  trans-176.4122163-82.2-70.6000115.7
2153T27.6Very low31.2Very low122.6 Ų122.6140.7 Ų140.775%0.75276%0.756SS**  trans-141.1144.6148.235.50000111.3Y2156T2153-Y2156 PolarHBondContact O-OH 3.48Å; T2153-Y2156 VanDerWaalsContact O-OH 3.13Å
2154P32.4Very low31.1Very low109.8 Ų109.8139.5 Ų139.571%0.71376%0.758SS**  trans-109.9132.7-162.934.1-27.5000114.2Y2156P2154-Y2156 HydrophobicContact CB-CD1 4.25Å; P2154-Y2156 HydrophobicContact CB-CD2 3.74Å; P2154-Y2156 VanDerWaalsContact CB-CD2 3.46Å; P2154-Y2156 HydrophobicContact CB-CE1 4.1Å; P2154-Y2156 HydrophobicContact CB-CE2 3.46Å; P2154-Y2156 HydrophobicContact CB-CG 3.92Å; P2154-Y2156 HydrophobicContact CG-CD2 3.24Å; P2154-Y2156 HydrophobicContact CG-CE2 3.6Å; P2154-Y2156 HydrophobicContact CG-CG 4.06Å
2155S27.2Very low31Very low109.2 Ų109.2141 Ų14176%0.76476%0.761SS**  trans-81.6133.5156.5-164.80000111.4A2157S2155-A2157 PolarHBondContact O-N 2.92Å
2156Y30.2Very low30.7Very low205 Ų205140.5 Ų140.580%0.80476%0.759SS**  trans-117.6121.6163.6-71.3-66.7000111.7T2153 P2154T2153-Y2156 PolarHBondContact O-OH 3.48Å; T2153-Y2156 VanDerWaalsContact O-OH 3.13Å; P2154-Y2156 HydrophobicContact CB-CD1 4.25Å; P2154-Y2156 HydrophobicContact CB-CD2 3.74Å; P2154-Y2156 VanDerWaalsContact CB-CD2 3.46Å; P2154-Y2156 HydrophobicContact CB-CE1 4.1Å; P2154-Y2156 HydrophobicContact CB-CE2 3.46Å; P2154-Y2156 HydrophobicContact CB-CG 3.92Å; P2154-Y2156 HydrophobicContact CG-CD2 3.24Å; P2154-Y2156 HydrophobicContact CG-CE2 3.6Å; P2154-Y2156 HydrophobicContact CG-CG 4.06Å
2157A29Very low30.5Very low84.8 Ų84.8140 Ų14070%0.70176%0.757SS**  trans-155.2153.4142.200000112.6S2155S2155-A2157 PolarHBondContact O-N 2.92Å
2158I29.2Very low30.5Very low153.4 Ų153.4141.9 Ų141.979%0.78776%0.762SS**  trans75.9119.3170.2-53.4167.1000112.8D2160I2158-D2160 HydrophobicContact CG2-CB 4.24Å
2159M30.8Very low30.2Very low184.4 Ų184.4140.5 Ų140.591%0.90876%0.759SS**  -126.1136.4111.4-93.3-179.1109.300110.7
2160D30.7Very low30Very low133 Ų133142 Ų14271%0.71176%0.764SS**  trans-156150.2156.5-141.8-7.6000109.4I2158I2158-D2160 HydrophobicContact CG2-CB 4.24Å
2161K31.5Very low29.8Very low170.8 Ų170.8141.1 Ų141.174%0.74376%0.763SS**  trans119.4135.5173.4-84.6174.5179.5179.30114.5
2162Q30.4Very low29.7Very low168.2 Ų168.2143 Ų14379%0.78677%0.765SS**  146.8149.284.9-97.2169.5-76.400114.4
2163S29.1Very low29.6Very low106.4 Ų106.4142.1 Ų142.174%0.74476%0.761SS**  107.8140.8115.8-98.20000115.8
2164A30Very low29.7Very low87.8 Ų87.8144.5 Ų144.573%0.72676%0.761SS**  trans65.7133.6137.900000115.6
2165E32.6Very low29.6Very low183.2 Ų183.2144.7 Ų144.786%0.85676%0.763SS**  116.1145.5125.6-82.4174.3172.800115.4
2166D30.6Very low29.8Very low130.2 Ų130.2146.4 Ų146.470%0.69676%0.762SS**  trans167.9141.4-172.3-109.16.9000118
2167N29Very low29.7Very low123.8 Ų123.8145.8 Ų145.866%0.66276%0.763SS**  trans45.4121.5139.1-68.3-51.5000120.9
2168Q30.3Very low29.7Very low174.8 Ų174.8147.7 Ų147.782%0.81777%0.766SS**  149.2132.3119.2-83.7174.842.600116.4
2169I27.7Very low29.8Very low148.6 Ų148.6145 Ų14576%0.76276%0.761SS**  18.7114.9127.3-60.2163.7000112.5
2170T29.1Very low30Very low127.2 Ų127.2144.6 Ų144.678%0.7876%0.756SS**  177.5136.3120.621.30000113.5
2171V26.6Very low30.1Very low125.6 Ų125.6143.1 Ų143.176%0.76176%0.757SS**  trans-73.2144.5163.5178.90000110.8
2172F28.5Very low30.2Very low180.2 Ų180.2140.1 Ų140.179%0.7976%0.757SS**  trans-170.1145.5155.9-96.5-71000113.9K2174F2172-K2174 HydrophobicContact CB-CD 4.25Å; F2172-K2174 HydrophobicContact CB-CG 4.35Å; F2172-K2174 HydrophobicContact CD1-CD 4.45Å; F2172-K2174 HydrophobicContact CD1-CG 4.13Å
2173E30.1Very low30.6Very low154.6 Ų154.6137.1 Ų137.172%0.72276%0.755SS**  trans-88.9143.5-179.2-138.4179150.600114.7
2174K27.9Very low30.9Very low173.4 Ų173.4142.9 Ų142.975%0.75476%0.76SS**  trans-13.6162.5166.1-70.8172.3-176.8164.20113.6F2172 I2176F2172-K2174 HydrophobicContact CB-CD 4.25Å; F2172-K2174 HydrophobicContact CB-CG 4.35Å; F2172-K2174 HydrophobicContact CD1-CD 4.45Å; F2172-K2174 HydrophobicContact CD1-CG 4.13Å; K2174-I2176 HydrophobicContact CD-CD1 4.08Å; K2174-I2176 HydrophobicContact CD-CG1 4.27Å
2175P32Very low31.4Very low114.2 Ų114.2143.5 Ų143.574%0.74276%0.757SS**  cis-129.7160.63.833.9-19.2000115.8
2176I29.5Very low31.4Very low144.4 Ų144.4142.8 Ų142.874%0.74175%0.751SS**  trans-46.4141.2157.8-67.5166.5000113.3K2174 T2178K2174-I2176 HydrophobicContact CD-CD1 4.08Å; K2174-I2176 HydrophobicContact CD-CG1 4.27Å; I2176-T2178 HydrophobicContact CG2-CG2 4.14Å; I2176-T2178 PolarHBondContact O-N 2.77Å
2177K30.1Very low31.8Very low193 Ų193142.8 Ų142.884%0.83975%0.751SS**  trans-139.2124.1157.2-80.4177.9-176.51800111.5
2178T28.2Very low32.3Very low124.8 Ų124.8143.1 Ų143.177%0.76675%0.752SS**  -170.8123.512644.20000113.9I2176I2176-T2178 HydrophobicContact CG2-CG2 4.14Å; I2176-T2178 PolarHBondContact O-N 2.77Å
2179S30.6Very low32.7Very low95.4 Ų95.4140.4 Ų140.467%0.66774%0.744SS**  trans150.7139147.161.30000115.5
2180H34.6Very low33Very low177 Ų177140.6 Ų140.682%0.81975%0.747SS**  trans46.5142.2146.6-61.8-72.3000118.5
2181S34.1Very low33.3Very low102.4 Ų102.4137.9 Ų137.972%0.71674%0.743SS**  cis170.2152.6-7.353.40000113.6
2182S33.7Very low33.7Very low107.8 Ų107.8137 Ų13775%0.75474%0.743SS**  trans90.2145141.1163.20000117
2183S37.5Very low34.2Very low104.4 Ų104.4133.1 Ų133.173%0.7374%0.738SS**  172154.566.638.30000115
2184R35.6Very low34.5Very low228.6 Ų228.6132.3 Ų132.386%0.86374%0.738SS**  cis170.5165.124.6-90.9-166.2176.8-179.9-1.1111.1
2185P40.4Very low35.1Very low100.2 Ų100.2130.5 Ų130.565%0.65174%0.736SS**  -124.6-178.6-56.730.9-10.4000115.2
2186F34.1Very low35.3Very low168 Ų168131.4 Ų131.474%0.73773%0.734SS**  trans72.8146.7130.9-66.3-78000116.6
2187D38.2Very low35.8Very low131.2 Ų131.2131 Ų13170%0.70273%0.734SS**  cis-168161.75.1-106.1-17.5000114.2
2188D38.8Very low36.2Very low128.4 Ų128.4128.3 Ų128.369%0.68773%0.728SS**  trans62142149.6-92.4-8.7000122.9
2189N38.8Very low36.7Very low118.4 Ų118.4129.1 Ų129.163%0.63373%0.728SS**  trans77118.5134.1-70.5-46.4000125
2190N34.7Very low37Very low154.2 Ų154.2133.5 Ų133.583%0.82574%0.735SS**  trans70.6145.4130.3-61.8-28.6000123.4
2191G35.5Very low37.2Very low69 Ų69132.8 Ų132.871%0.71174%0.737SS**  trans104.8105.4170.200000112.8
2192S34.9Very low37.3Very low108 Ų108138.9 Ų138.976%0.75574%0.744SS**  cis87.5138.843109.60000112.7
2193S38.2Very low37.3Very low97.4 Ų97.4142.9 Ų142.968%0.68175%0.748SS**  trans63.2143.4165.855.40000118
2194D37.8Very low37.2Very low137.6 Ų137.6145.1 Ų145.174%0.73675%0.751SS**  cis-179.9150.7-12.8-98.2-35.7000111.7
2195I38.8Very low37.2Very low135.6 Ų135.6138.9 Ų138.970%0.69574%0.743SS**  69.5139.4114.5-77.1164.1000116.4
2196N36.7Very low37Very low133.2 Ų133.2140 Ų14071%0.71275%0.748SS**  trans19.4130.7151.5-66-16.8000117.5
2197D40.4Very low37Very low135.6 Ų135.6140.3 Ų140.373%0.72575%0.751SS**  160.3129.593.9-106.6-30.5000115.4
2198N38.5Very low36.9Very low136.8 Ų136.8142.6 Ų142.673%0.73276%0.757SS**  trans155.7123.4140.8-70.2-64.3000114.6
2199D39Very low37Very low141.4 Ų141.4144.8 Ų144.876%0.75676%0.763SS**  trans102.6127137.3-108.8-15.5000118.1L2201D2199-L2201 PolarHBondContact O-N 3.22Å
2200K37.9Very low37.3Very low188.6 Ų188.6143.6 Ų143.682%0.8277%0.77SS**  trans-117.4108.3155.4-93.1164.8-170.4136.10116.3
2201L38.4Very low38.4Very low162.2 Ų162.2142.3 Ų142.385%0.84976%0.759SS**  trans-86.683.8168.2-118112.3000115.5D2199D2199-L2201 PolarHBondContact O-N 3.22Å
2202R34.6Very low39.9Very low230.2 Ų230.2141.1 Ų141.187%0.86975%0.746SS**  trans-16994.9139.6-159.7177.5-179.8151.60.3114.5
2203K33.9Very low42Very low191.2 Ų191.2141.3 Ų141.383%0.83175%0.747SS**  trans-129.998.9170.4-81.5177.6177.9178.50111.2
2204D36.3Very low43.8Very low151.8 Ų151.8145.8 Ų145.881%0.81275%0.749SS**  -148.7117.5115.1-81.3-30.6000113.9
2205S35.3Very low45.9Very low98.6 Ų98.6141.7 Ų141.769%0.6973%0.731SS**  trans-114.9104.1174.461.10000114H2207S2205-H2207 PolarHBondContact O-N 3.01Å; S2205-H2207 VanDerWaalsContact O-N 3.11Å
2206V35.8Very low48Very low122.6 Ų122.6141.1 Ų141.174%0.74372%0.723SS**  trans-103.5102.2148.8-169.40000110Q2208V2206-Q2208 VanDerWaalsContact C-N 3.31Å; V2206-Q2208 HydrophobicContact CG1-CB 4.47Å; V2206-Q2208 HydrophobicContact CG1-CG 4.11Å; V2206-Q2208 PolarHBondContact O-N 2.96Å
2207H35.4Very low50.3Low173.8 Ų173.8141.1 Ų141.181%0.80572%0.717SS**  trans-100.894.6148.1-86.5-71.6000112.3S2205 H2209S2205-H2207 PolarHBondContact O-N 3.01Å; S2205-H2207 VanDerWaalsContact O-N 3.11Å; H2207-H2209 VanDerWaalsContact C-N 3.31Å; H2207-H2209 AromaticContact ND1-CD2 3.94Å; H2207-H2209 PolarHBondContact O-N 3.34Å; H2207-H2209 VanDerWaalsContact O-N 3.09Å
2208Q35.6Very low52.5Low179.6 Ų179.6140.7 Ų140.784%0.83971%0.709SS**  trans-69.9102.9155.2-83.8179.3-23.500108.6V2206 A2210V2206-Q2208 VanDerWaalsContact C-N 3.31Å; V2206-Q2208 HydrophobicContact CG1-CB 4.47Å; V2206-Q2208 HydrophobicContact CG1-CG 4.11Å; V2206-Q2208 PolarHBondContact O-N 2.96Å; Q2208-A2210 PolarHBondContact O-N 3.05Å; Q2208-A2210 VanDerWaalsContact O-N 3.14Å
2209H41.3Very low54.8Low175.8 Ų175.8136.5 Ų136.581%0.81469%0.693SS**  trans-71.8106.7166.2-123.5-78.8000108.1H2207 E2211H2207-H2209 VanDerWaalsContact C-N 3.31Å; H2207-H2209 AromaticContact ND1-CD2 3.94Å; H2207-H2209 PolarHBondContact O-N 3.34Å; H2207-H2209 VanDerWaalsContact O-N 3.09Å; H2209-E2211 VanDerWaalsContact C-N 3.3Å; H2209-E2211 PolarHBondContact O-N 3.08Å
2210A45.2Very low57Low92.6 Ų92.6133.3 Ų133.377%0.76568%0.682SS**  trans-6697179.100000109.8Q2208 G2212Q2208-A2210 PolarHBondContact O-N 3.05Å; Q2208-A2210 VanDerWaalsContact O-N 3.14Å; A2210-G2212 PolarHBondContact O-N 3.13Å
2211E57.7Low59.4Low127 Ų127127.5 Ų127.559%0.59366%0.664SS**  trans-54.1111.4170.8-76.2-171.3170.600109.8H2209 S2215 K2216H2209-E2211 VanDerWaalsContact C-N 3.3Å; H2209-E2211 PolarHBondContact O-N 3.08Å; E2211-S2215 PolarHBondContact OE2-OG 2.73Å; E2211-K2216 HydrophobicContact CB-CD 4.49Å; E2211-K2216 HydrophobicContact CB-CG 4.22Å; E2211-K2216 VanDerWaalsContact O-CE 3.24Å; E2211-K2216 WeakPolarHBondContact O-CE 3.28Å; E2211-K2216 PolarHBondContact O-NZ 2.93Å; E2211-K2216 VanDerWaalsContact O-NZ 3.13Å; E2211-K2216 VanDerWaalsContact OE2-CE 3.3Å; E2211-K2216 WeakPolarHBondContact OE2-CE 3.32Å
2212G67.2Low62Low43.4 Ų43.4124.4 Ų124.445%0.44765%0.648SS.*  trans-58.9150.7-175.300000112A2210 W2214 S2215 K2216A2210-G2212 PolarHBondContact O-N 3.13Å; G2212-W2214 PolarHBondContact O-N 3.19Å; G2212-S2215 PolarHBondContact N-OG 3.41Å; G2212-S2215 WeakPolarHBondContact O-CA 3.48Å; G2212-S2215 WeakPolarHBondContact O-CB 3.32Å; G2212-S2215 PolarHBondContact O-N 3.02Å; G2212-S2215 PolarHBondContact O-OG 3.02Å; G2212-K2216 PolarHBondContact O-N 3.2Å
2213C77.5Confident64.6Low112.8 Ų112.8118.9 Ų118.976%0.76264%0.635SS**Hα-helixtrans-49.6-36.2-178.4-172.40000112.6S2215 K2216 F2217C2213-S2215 PolarHBondContact O-N 3.19Å; C2213-K2216 PolarHBondContact O-N 3.22Å; C2213-F2217 VanDerWaalsContact O-CB 3.3Å; C2213-F2217 WeakPolarHBondContact O-CB 3.37Å; C2213-F2217 PolarHBondContact O-N 3Å
2214W76.4Confident67.2Low191.6 Ų191.6112.5 Ų112.573%0.72662%0.617SS**Hα-helixtrans-67.2-32.9177.1-16079.9000114.5G2212 K2218G2212-W2214 PolarHBondContact O-N 3.19Å; W2214-K2218 HydrophobicContact CH2-CD 4.41Å; W2214-K2218 HydrophobicContact CZ3-CD 4.16Å; W2214-K2218 VanDerWaalsContact O-CB 3.23Å; W2214-K2218 WeakPolarHBondContact O-CB 3.3Å; W2214-K2218 PolarHBondContact O-N 3.33Å
2215S81.6Confident69.7Low50.8 Ų50.8111.7 Ų111.736%0.35560%0.604SS.*Hα-helixtrans-69.5-43.2173.5107.80000111E2211 G2212 C2213 F2217 K2218 A2219E2211-S2215 PolarHBondContact OE2-OG 2.73Å; G2212-S2215 PolarHBondContact N-OG 3.41Å; G2212-S2215 WeakPolarHBondContact O-CA 3.48Å; G2212-S2215 WeakPolarHBondContact O-CB 3.32Å; G2212-S2215 PolarHBondContact O-N 3.02Å; G2212-S2215 PolarHBondContact O-OG 3.02Å; C2213-S2215 PolarHBondContact O-N 3.19Å; S2215-F2217 VanDerWaalsContact C-N 3.33Å; S2215-F2217 PolarHBondContact O-N 3.39Å; S2215-K2218 PolarHBondContact O-N 3.2Å; S2215-A2219 VanDerWaalsContact O-CB 3.31Å; S2215-A2219 WeakPolarHBondContact O-CB 3.32Å; S2215-A2219 PolarHBondContact O-N 3.23Å
2216K82.4Confident72.3Confident123.4 Ų123.4111.9 Ų111.954%0.53760%0.595SS.*Hα-helixtrans-64.6-39.6175.5-65.2-175.7-179.8176.90112E2211 G2212 C2213 A2219 S2220E2211-K2216 HydrophobicContact CB-CD 4.49Å; E2211-K2216 HydrophobicContact CB-CG 4.22Å; E2211-K2216 VanDerWaalsContact O-CE 3.24Å; E2211-K2216 WeakPolarHBondContact O-CE 3.28Å; E2211-K2216 PolarHBondContact O-NZ 2.93Å; E2211-K2216 VanDerWaalsContact O-NZ 3.13Å; E2211-K2216 VanDerWaalsContact OE2-CE 3.3Å; E2211-K2216 WeakPolarHBondContact OE2-CE 3.32Å; G2212-K2216 PolarHBondContact O-N 3.2Å; C2213-K2216 PolarHBondContact O-N 3.22Å; K2216-A2219 PolarHBondContact O-N 3.08Å; K2216-S2220 VanDerWaalsContact O-CB 3.26Å; K2216-S2220 WeakPolarHBondContact O-CB 3.38Å; K2216-S2220 PolarHBondContact O-N 3.23Å
2217F86Confident74.8Confident134 Ų134113 Ų11359%0.58859%0.59SS**Hα-helixtrans-62.9-46.9172-179.7-101000111.8C2213 S2215 A2219 S2220 C2221C2213-F2217 VanDerWaalsContact O-CB 3.3Å; C2213-F2217 WeakPolarHBondContact O-CB 3.37Å; C2213-F2217 PolarHBondContact O-N 3Å; S2215-F2217 VanDerWaalsContact C-N 3.33Å; S2215-F2217 PolarHBondContact O-N 3.39Å; F2217-A2219 VanDerWaalsContact C-N 3.33Å; F2217-A2219 PolarHBondContact O-N 3.19Å; F2217-S2220 WeakPolarHBondContact O-CB 3.41Å; F2217-S2220 PolarHBondContact O-N 3.23Å; F2217-S2220 VanDerWaalsContact O-N 3.16Å; F2217-C2221 VanDerWaalsContact CZ-SG 3.55Å; F2217-C2221 VanDerWaalsContact O-CB 3.31Å; F2217-C2221 WeakPolarHBondContact O-CB 3.37Å; F2217-C2221 PolarHBondContact O-N 2.93Å; F2217-C2221 PolarHBondContact O-SG 3.27Å; F2217-C2221 VanDerWaalsContact O-SG 3.37Å
2218K87.4Confident77.3Confident127 Ų127110.7 Ų110.755%0.55258%0.578SS**Hα-helixtrans-61-42176.3-175.4178.2179-178.90112.1W2214 S2215 C2221 L2222W2214-K2218 HydrophobicContact CH2-CD 4.41Å; W2214-K2218 HydrophobicContact CZ3-CD 4.16Å; W2214-K2218 VanDerWaalsContact O-CB 3.23Å; W2214-K2218 WeakPolarHBondContact O-CB 3.3Å; W2214-K2218 PolarHBondContact O-N 3.33Å; S2215-K2218 PolarHBondContact O-N 3.2Å; K2218-C2221 PolarHBondContact O-N 2.99Å; K2218-L2222 WeakPolarHBondContact O-CB 3.33Å; K2218-L2222 PolarHBondContact O-N 3.14Å
2219A86.2Confident79.7Confident47.8 Ų47.8103.7 Ų103.740%0.39555%0.546SS..Hα-helixtrans-64.1-44.7174.400000111.5S2215 K2216 F2217 C2221 L2222 I2223S2215-A2219 VanDerWaalsContact O-CB 3.31Å; S2215-A2219 WeakPolarHBondContact O-CB 3.32Å; S2215-A2219 PolarHBondContact O-N 3.23Å; K2216-A2219 PolarHBondContact O-N 3.08Å; F2217-A2219 VanDerWaalsContact C-N 3.33Å; F2217-A2219 PolarHBondContact O-N 3.19Å; A2219-C2221 VanDerWaalsContact C-N 3.33Å; A2219-C2221 PolarHBondContact O-N 2.9Å; A2219-L2222 WeakPolarHBondContact O-CB 3.35Å; A2219-L2222 PolarHBondContact O-N 3.23Å; A2219-L2222 VanDerWaalsContact O-N 3.15Å; A2219-I2223 WeakPolarHBondContact O-CB 3.36Å; A2219-I2223 WeakPolarHBondContact O-CD1 3.37Å; A2219-I2223 VanDerWaalsContact O-CG1 3.26Å; A2219-I2223 WeakPolarHBondContact O-CG1 3.37Å; A2219-I2223 PolarHBondContact O-N 3.13Å
2220S85.4Confident81.9Confident75.2 Ų75.298.8 Ų98.853%0.52653%0.532SS..Hα-helixtrans-61.5-41.2175.4-170.70000112.3K2216 F2217 L2222 I2223 A2224K2216-S2220 VanDerWaalsContact O-CB 3.26Å; K2216-S2220 WeakPolarHBondContact O-CB 3.38Å; K2216-S2220 PolarHBondContact O-N 3.23Å; F2217-S2220 WeakPolarHBondContact O-CB 3.41Å; F2217-S2220 PolarHBondContact O-N 3.23Å; F2217-S2220 VanDerWaalsContact O-N 3.16Å; S2220-L2222 VanDerWaalsContact C-N 3.34Å; S2220-L2222 PolarHBondContact O-N 3.19Å; S2220-I2223 PolarHBondContact O-N 3.19Å; S2220-A2224 VanDerWaalsContact O-CB 3.31Å; S2220-A2224 WeakPolarHBondContact O-CB 3.38Å; S2220-A2224 PolarHBondContact O-N 3.25Å
2221C88.4Confident84Confident67 Ų6796.9 Ų96.945%0.45351%0.513SS..Hα-helixtrans-66.6-39.3175.3-134.60000111.9F2217 K2218 A2219 A2224 Y2225F2217-C2221 VanDerWaalsContact CZ-SG 3.55Å; F2217-C2221 VanDerWaalsContact O-CB 3.31Å; F2217-C2221 WeakPolarHBondContact O-CB 3.37Å; F2217-C2221 PolarHBondContact O-N 2.93Å; F2217-C2221 PolarHBondContact O-SG 3.27Å; F2217-C2221 VanDerWaalsContact O-SG 3.37Å; K2218-C2221 PolarHBondContact O-N 2.99Å; A2219-C2221 VanDerWaalsContact C-N 3.33Å; A2219-C2221 PolarHBondContact O-N 2.9Å; C2221-A2224 PolarHBondContact O-N 3.26Å; C2221-Y2225 VanDerWaalsContact O-CB 3.27Å; C2221-Y2225 WeakPolarHBondContact O-CB 3.45Å; C2221-Y2225 PolarHBondContact O-N 3.28Å
2222L91.4Very high85.4Confident95.4 Ų95.491.7 Ų91.750%0.49949%0.49SS..Hα-helixtrans-65.4-43.5174.7-168.5157.3000111.2K2218 A2219 S2220 A2224 Y2225 M2226K2218-L2222 WeakPolarHBondContact O-CB 3.33Å; K2218-L2222 PolarHBondContact O-N 3.14Å; A2219-L2222 WeakPolarHBondContact O-CB 3.35Å; A2219-L2222 PolarHBondContact O-N 3.23Å; A2219-L2222 VanDerWaalsContact O-N 3.15Å; S2220-L2222 VanDerWaalsContact C-N 3.34Å; S2220-L2222 PolarHBondContact O-N 3.19Å; L2222-A2224 VanDerWaalsContact C-N 3.32Å; L2222-A2224 PolarHBondContact O-N 3.47Å; L2222-Y2225 PolarHBondContact O-N 3.16Å; L2222-M2226 HydrophobicContact CD2-CE 4.23Å; L2222-M2226 HydrophobicContact CD2-CG 3.88Å; L2222-M2226 WeakPolarHBondContact O-CB 3.32Å; L2222-M2226 VanDerWaalsContact O-CG 3.28Å; L2222-M2226 WeakPolarHBondContact O-CG 3.35Å; L2222-M2226 PolarHBondContact O-N 3.11Å
2223I90.4Very high86.3Confident116 Ų11691.4 Ų91.460%0.59548%0.478SS*.Hα-helixtrans-61.8-44.2174.6-68.8163.2000110.6A2219 S2220 Y2225 M2226 F2227A2219-I2223 WeakPolarHBondContact O-CB 3.36Å; A2219-I2223 WeakPolarHBondContact O-CD1 3.37Å; A2219-I2223 VanDerWaalsContact O-CG1 3.26Å; A2219-I2223 WeakPolarHBondContact O-CG1 3.37Å; A2219-I2223 PolarHBondContact O-N 3.13Å; S2220-I2223 PolarHBondContact O-N 3.19Å; I2223-Y2225 VanDerWaalsContact C-N 3.32Å; I2223-Y2225 PolarHBondContact O-N 3.19Å; I2223-M2226 PolarHBondContact O-N 3.28Å; I2223-F2227 VanDerWaalsContact O-CB 3.31Å; I2223-F2227 WeakPolarHBondContact O-CB 3.41Å; I2223-F2227 PolarHBondContact O-N 3.02Å
2224A87.6Confident86.8Confident56.6 Ų56.689.3 Ų89.347%0.46846%0.464SS..Hα-helixtrans-63.4-39.417600000112.4S2220 C2221 L2222 F2227 F2228S2220-A2224 VanDerWaalsContact O-CB 3.31Å; S2220-A2224 WeakPolarHBondContact O-CB 3.38Å; S2220-A2224 PolarHBondContact O-N 3.25Å; C2221-A2224 PolarHBondContact O-N 3.26Å; L2222-A2224 VanDerWaalsContact C-N 3.32Å; L2222-A2224 PolarHBondContact O-N 3.47Å; A2224-F2227 WeakPolarHBondContact O-CB 3.38Å; A2224-F2227 PolarHBondContact O-N 2.99Å; A2224-F2228 VanDerWaalsContact O-CB 3.32Å; A2224-F2228 WeakPolarHBondContact O-CB 3.36Å; A2224-F2228 PolarHBondContact O-N 3.01Å
2225Y89Confident87.4Confident135.4 Ų135.483.8 Ų83.853%0.53145%0.449SS..Hα-helixtrans-66.8-42.5175-179.7-106000112.3C2221 L2222 I2223 F2227 F2228 L2229C2221-Y2225 VanDerWaalsContact O-CB 3.27Å; C2221-Y2225 WeakPolarHBondContact O-CB 3.45Å; C2221-Y2225 PolarHBondContact O-N 3.28Å; L2222-Y2225 PolarHBondContact O-N 3.16Å; I2223-Y2225 VanDerWaalsContact C-N 3.32Å; I2223-Y2225 PolarHBondContact O-N 3.19Å; Y2225-F2227 VanDerWaalsContact C-N 3.32Å; Y2225-F2227 PolarHBondContact O-N 3.05Å; Y2225-F2228 WeakPolarHBondContact O-CB 3.32Å; Y2225-F2228 PolarHBondContact O-N 3.19Å; Y2225-L2229 HydrophobicContact CD1-CD1 4.06Å; Y2225-L2229 HydrophobicContact CD1-CG 4.46Å; Y2225-L2229 HydrophobicContact CE1-CD1 3.44Å; Y2225-L2229 VanDerWaalsContact CE1-CD1 3.44Å; Y2225-L2229 HydrophobicContact CE1-CG 4.08Å; Y2225-L2229 HydrophobicContact CE2-CD1 4.48Å; Y2225-L2229 HydrophobicContact CE2-CD2 4.43Å; Y2225-L2229 HydrophobicContact CE2-CG 4.37Å; Y2225-L2229 WeakPolarHBondContact O-CG 3.38Å; Y2225-L2229 PolarHBondContact O-N 3.09Å
2226M89.4Confident87.7Confident102 Ų10281.6 Ų81.650%0.50243%0.433SS..Hα-helixtrans-64.7-39.3174.1-70.2-65.8175.200111.8L2222 I2223 L2229 S2230L2222-M2226 HydrophobicContact CD2-CE 4.23Å; L2222-M2226 HydrophobicContact CD2-CG 3.88Å; L2222-M2226 WeakPolarHBondContact O-CB 3.32Å; L2222-M2226 VanDerWaalsContact O-CG 3.28Å; L2222-M2226 WeakPolarHBondContact O-CG 3.35Å; L2222-M2226 PolarHBondContact O-N 3.11Å; I2223-M2226 PolarHBondContact O-N 3.28Å; M2226-L2229 PolarHBondContact O-N 3.05Å; M2226-S2230 VanDerWaalsContact O-CB 3.26Å; M2226-S2230 WeakPolarHBondContact O-CB 3.32Å; M2226-S2230 PolarHBondContact O-N 3.14Å
2227F88.6Confident87.8Confident145.6 Ų145.682.2 Ų82.264%0.63943%0.432SS*.Hα-helixtrans-64-41.4173.4-176-94.8000111.7I2223 A2224 Y2225 S2230 S2231I2223-F2227 VanDerWaalsContact O-CB 3.31Å; I2223-F2227 WeakPolarHBondContact O-CB 3.41Å; I2223-F2227 PolarHBondContact O-N 3.02Å; A2224-F2227 WeakPolarHBondContact O-CB 3.38Å; A2224-F2227 PolarHBondContact O-N 2.99Å; Y2225-F2227 VanDerWaalsContact C-N 3.32Å; Y2225-F2227 PolarHBondContact O-N 3.05Å; F2227-S2230 PolarHBondContact O-N 2.92Å; F2227-S2231 WeakPolarHBondContact O-CB 3.28Å; F2227-S2231 PolarHBondContact O-N 3.29Å; F2227-S2231 PolarHBondContact O-OG 3.42Å
2228F88Confident87.9Confident126.4 Ų126.480.8 Ų80.855%0.55443%0.426SS*.Hα-helixtrans-62.4-49174.1178.2-99.2000111.8A2224 Y2225 S2230 S2231 V2232A2224-F2228 VanDerWaalsContact O-CB 3.32Å; A2224-F2228 WeakPolarHBondContact O-CB 3.36Å; A2224-F2228 PolarHBondContact O-N 3.01Å; Y2225-F2228 WeakPolarHBondContact O-CB 3.32Å; Y2225-F2228 PolarHBondContact O-N 3.19Å; F2228-S2230 PolarHBondContact O-N 3.14Å; F2228-S2231 WeakPolarHBondContact O-CB 3.34Å; F2228-S2231 PolarHBondContact O-N 2.92Å; F2228-S2231 VanDerWaalsContact O-N 3.1Å; F2228-S2231 PolarHBondContact O-OG 3.03Å; F2228-V2232 HydrophobicContact CD1-CG2 4.33Å; F2228-V2232 HydrophobicContact CE1-CG2 3.91Å; F2228-V2232 HydrophobicContact CE2-CG2 4.22Å; F2228-V2232 HydrophobicContact CZ-CG2 3.85Å; F2228-V2232 WeakPolarHBondContact O-CB 3.46Å; F2228-V2232 WeakPolarHBondContact O-CG2 3.41Å; F2228-V2232 PolarHBondContact O-N 3.31Å
2229L86.9Confident87.9Confident31.6 Ų31.675.3 Ų75.317%0.16540%0.402CS..Hα-helixtrans-60.4-43.6176-73.2-176.2000112.2Y2225 M2226 S2231 V2232 D2233 Y2355Y2225-L2229 HydrophobicContact CD1-CD1 4.06Å; Y2225-L2229 HydrophobicContact CD1-CG 4.46Å; Y2225-L2229 HydrophobicContact CE1-CD1 3.44Å; Y2225-L2229 VanDerWaalsContact CE1-CD1 3.44Å; Y2225-L2229 HydrophobicContact CE1-CG 4.08Å; Y2225-L2229 HydrophobicContact CE2-CD1 4.48Å; Y2225-L2229 HydrophobicContact CE2-CD2 4.43Å; Y2225-L2229 HydrophobicContact CE2-CG 4.37Å; Y2225-L2229 WeakPolarHBondContact O-CG 3.38Å; Y2225-L2229 PolarHBondContact O-N 3.09Å; M2226-L2229 PolarHBondContact O-N 3.05Å; L2229-S2231 VanDerWaalsContact C-N 3.28Å; L2229-S2231 PolarHBondContact O-N 3.18Å; L2229-V2232 PolarHBondContact O-N 2.96Å; L2229-D2233 WeakPolarHBondContact O-CB 3.28Å; L2229-D2233 PolarHBondContact O-N 3.01Å; L2229-Y2355 HydrophobicContact CD1-CD2 4.21Å; L2229-Y2355 HydrophobicContact CD1-CE2 4.01Å; L2229-Y2355 HydrophobicContact CD2-CD2 3.86Å; L2229-Y2355 HydrophobicContact CD2-CE2 4.23Å; L2229-Y2355 HydrophobicContact CD2-CG 4.23Å; L2229-Y2355 HydrophobicContact CG-CD2 4.46Å
2230S87.8Confident88Confident74 Ų7474.3 Ų74.352%0.51739%0.39SS..Hα-helixtrans-63-35.4175.4-174.20000112.1M2226 F2227 F2228 V2232 D2233 S2234M2226-S2230 VanDerWaalsContact O-CB 3.26Å; M2226-S2230 WeakPolarHBondContact O-CB 3.32Å; M2226-S2230 PolarHBondContact O-N 3.14Å; F2227-S2230 PolarHBondContact O-N 2.92Å; F2228-S2230 PolarHBondContact O-N 3.14Å; S2230-V2232 VanDerWaalsContact C-N 3.32Å; S2230-V2232 PolarHBondContact O-N 3.32Å; S2230-D2233 PolarHBondContact O-N 3.43Å; S2230-S2234 VanDerWaalsContact O-CB 3.28Å; S2230-S2234 WeakPolarHBondContact O-CB 3.29Å; S2230-S2234 PolarHBondContact O-N 3.07Å
2231S87.8Confident87.9Confident52.6 Ų52.672.9 Ų72.937%0.36839%0.388SS..Hα-helixtrans-69.3-40.1175.1-48.80000111.8F2227 F2228 L2229 S2234 L2235F2227-S2231 WeakPolarHBondContact O-CB 3.28Å; F2227-S2231 PolarHBondContact O-N 3.29Å; F2227-S2231 PolarHBondContact O-OG 3.42Å; F2228-S2231 WeakPolarHBondContact O-CB 3.34Å; F2228-S2231 PolarHBondContact O-N 2.92Å; F2228-S2231 VanDerWaalsContact O-N 3.1Å; F2228-S2231 PolarHBondContact O-OG 3.03Å; L2229-S2231 VanDerWaalsContact C-N 3.28Å; L2229-S2231 PolarHBondContact O-N 3.18Å; S2231-S2234 PolarHBondContact O-N 3.32Å; S2231-L2235 VanDerWaalsContact O-CB 3.29Å; S2231-L2235 WeakPolarHBondContact O-CB 3.31Å; S2231-L2235 PolarHBondContact O-N 3.2Å
2232V88.5Confident87.8Confident17.6 Ų17.673.1 Ų73.111%0.10738%0.384CS..Hα-helixtrans-66.8-42.4175.3171.30000111.1F2228 L2229 S2230 L2235 I2236 L2359F2228-V2232 HydrophobicContact CD1-CG2 4.33Å; F2228-V2232 HydrophobicContact CE1-CG2 3.91Å; F2228-V2232 HydrophobicContact CE2-CG2 4.22Å; F2228-V2232 HydrophobicContact CZ-CG2 3.85Å; F2228-V2232 WeakPolarHBondContact O-CB 3.46Å; F2228-V2232 WeakPolarHBondContact O-CG2 3.41Å; F2228-V2232 PolarHBondContact O-N 3.31Å; L2229-V2232 PolarHBondContact O-N 2.96Å; S2230-V2232 VanDerWaalsContact C-N 3.32Å; S2230-V2232 PolarHBondContact O-N 3.32Å; V2232-L2235 WeakPolarHBondContact O-CB 3.37Å; V2232-L2235 PolarHBondContact O-N 3.01Å; V2232-I2236 HydrophobicContact CG1-CD1 3.83Å; V2232-I2236 HydrophobicContact CG1-CG1 4.45Å; V2232-I2236 WeakPolarHBondContact O-CB 3.31Å; V2232-I2236 WeakPolarHBondContact O-CD1 3.36Å; V2232-I2236 VanDerWaalsContact O-CG1 3.26Å; V2232-I2236 WeakPolarHBondContact O-CG1 3.44Å; V2232-I2236 PolarHBondContact O-N 3.07Å; V2232-L2359 HydrophobicContact CG1-CB 4.26Å; V2232-L2359 HydrophobicContact CG1-CD2 4.32Å
2233D86.4Confident87.6Confident37 Ų3768.6 Ų68.620%0.19836%0.36CS..Hα-helixtrans-66.2-42.6175.4-173.542000111.6L2229 S2230 L2235 I2236 R2237 Y2355L2229-D2233 WeakPolarHBondContact O-CB 3.28Å; L2229-D2233 PolarHBondContact O-N 3.01Å; S2230-D2233 PolarHBondContact O-N 3.43Å; D2233-L2235 VanDerWaalsContact C-N 3.29Å; D2233-L2235 PolarHBondContact O-N 3.37Å; D2233-I2236 CarbonylContact O-C 3.56Å; D2233-I2236 WeakPolarHBondContact O-CA 3.31Å; D2233-I2236 WeakPolarHBondContact O-CB 3.38Å; D2233-I2236 PolarHBondContact O-N 3.1Å; D2233-I2236 VanDerWaalsContact O-N 3.14Å; D2233-R2237 VanDerWaalsContact CG-NE 3.26Å; D2233-R2237 WeakPolarHBondContact O-CB 3.26Å; D2233-R2237 VanDerWaalsContact O-CG 3.3Å; D2233-R2237 WeakPolarHBondContact O-CG 3.39Å; D2233-R2237 PolarHBondContact O-N 2.97Å; D2233-R2237 IonicContact OD1-NE 3.23Å; D2233-R2237 PolarHBondContact OD1-NE 2.78Å; D2233-R2237 IonicContact OD2-CZ 3.36Å; D2233-R2237 VanDerWaalsContact OD2-CZ 3.23Å; D2233-R2237 IonicContact OD2-NE 3.07Å; D2233-R2237 PolarHBondContact OD2-NE 3.38Å; D2233-R2237 IonicContact OD2-NH2 3.52Å; D2233-R2237 PolarHBondContact OD2-NH2 3.22Å; D2233-Y2355 HydrophobicContact CB-CE1 4.44Å
2234S87.3Confident87.3Confident67.4 Ų67.470.9 Ų70.947%0.47136%0.362SS..Hα-helixtrans-58.1-40.5172.5-172.30000112.2S2230 S2231 R2237 F2238S2230-S2234 VanDerWaalsContact O-CB 3.28Å; S2230-S2234 WeakPolarHBondContact O-CB 3.29Å; S2230-S2234 PolarHBondContact O-N 3.07Å; S2231-S2234 PolarHBondContact O-N 3.32Å; S2234-R2237 PolarHBondContact O-N 3.37Å; S2234-F2238 WeakPolarHBondContact O-CB 3.29Å; S2234-F2238 PolarHBondContact O-N 3.22Å
2235L88.8Confident87Confident77.8 Ų77.873.9 Ų73.941%0.40737%0.366SS..Hα-helixtrans-66.3-42.9174.417961.1000111.8S2231 V2232 D2233 R2237 F2238 L2239 L2359S2231-L2235 VanDerWaalsContact O-CB 3.29Å; S2231-L2235 WeakPolarHBondContact O-CB 3.31Å; S2231-L2235 PolarHBondContact O-N 3.2Å; V2232-L2235 WeakPolarHBondContact O-CB 3.37Å; V2232-L2235 PolarHBondContact O-N 3.01Å; D2233-L2235 VanDerWaalsContact C-N 3.29Å; D2233-L2235 PolarHBondContact O-N 3.37Å; L2235-R2237 VanDerWaalsContact C-N 3.35Å; L2235-R2237 PolarHBondContact O-N 3.18Å; L2235-F2238 HydrophobicContact CD1-CD1 4.45Å; L2235-F2238 WeakPolarHBondContact O-CB 3.3Å; L2235-F2238 PolarHBondContact O-N 3.17Å; L2235-L2239 HydrophobicContact CD1-CD1 4.15Å; L2235-L2239 HydrophobicContact CD1-CG 4.11Å; L2235-L2239 HydrophobicContact CG-CD1 4.05Å; L2235-L2239 HydrophobicContact CG-CG 4.42Å; L2235-L2239 WeakPolarHBondContact O-CB 3.36Å; L2235-L2239 VanDerWaalsContact O-CG 3.3Å; L2235-L2239 WeakPolarHBondContact O-CG 3.39Å; L2235-L2239 PolarHBondContact O-N 3.34Å; L2235-L2359 HydrophobicContact CD2-CD1 3.84Å; L2235-L2359 HydrophobicContact CG-CD1 4.05Å
2236I87.1Confident86.8Confident3 Ų369.6 Ų69.62%0.01535%0.349CS..Hα-helixtrans-60.9-45.4175.4-72.5165.4000110.5V2232 D2233 L2239 N2240 Y2355 L2358 L2359 A2362V2232-I2236 HydrophobicContact CG1-CD1 3.83Å; V2232-I2236 HydrophobicContact CG1-CG1 4.45Å; V2232-I2236 WeakPolarHBondContact O-CB 3.31Å; V2232-I2236 WeakPolarHBondContact O-CD1 3.36Å; V2232-I2236 VanDerWaalsContact O-CG1 3.26Å; V2232-I2236 WeakPolarHBondContact O-CG1 3.44Å; V2232-I2236 PolarHBondContact O-N 3.07Å; D2233-I2236 CarbonylContact O-C 3.56Å; D2233-I2236 WeakPolarHBondContact O-CA 3.31Å; D2233-I2236 WeakPolarHBondContact O-CB 3.38Å; D2233-I2236 PolarHBondContact O-N 3.1Å; D2233-I2236 VanDerWaalsContact O-N 3.14Å; I2236-L2239 PolarHBondContact O-N 3.15Å; I2236-N2240 VanDerWaalsContact CG2-ND2 3.29Å; I2236-N2240 WeakPolarHBondContact CG2-ND2 3.43Å; I2236-N2240 VanDerWaalsContact O-CB 3.22Å; I2236-N2240 WeakPolarHBondContact O-CB 3.38Å; I2236-N2240 VanDerWaalsContact O-CG 3.27Å; I2236-N2240 PolarHBondContact O-N 3.16Å; I2236-N2240 PolarHBondContact O-ND2 3.27Å; I2236-N2240 VanDerWaalsContact O-ND2 3.12Å; I2236-Y2355 HydrophobicContact CD1-CD1 4.34Å; I2236-L2358 HydrophobicContact CD1-CB 4.2Å; I2236-L2358 HydrophobicContact CD1-CD2 4.24Å; I2236-L2358 HydrophobicContact CD1-CG 4.21Å; I2236-L2358 HydrophobicContact CG2-CD2 4Å; I2236-L2358 HydrophobicContact CG2-CG 4.01Å; I2236-L2359 HydrophobicContact CD1-CB 4.14Å; I2236-L2359 HydrophobicContact CG1-CB 4.08Å; I2236-L2359 HydrophobicContact CG1-CD1 3.89Å; I2236-A2362 HydrophobicContact CG1-CB 4.44Å
2237R85.9Confident86.5Confident137.6 Ų137.666.9 Ų66.952%0.51933%0.333SS..Hα-helixtrans-60.4-45.3175.6-69.5174.7-166.6-1323.9111.4N1903 D2233 S2234 L2235 N2240 G2241N1903-R2237 PolarHBondContact OD1-NH1 2.73Å; N1903-R2237 VanDerWaalsContact OD1-NH1 3.12Å; N1903-R2237 PolarHBondContact OD1-NH2 2.71Å; D2233-R2237 VanDerWaalsContact CG-NE 3.26Å; D2233-R2237 WeakPolarHBondContact O-CB 3.26Å; D2233-R2237 VanDerWaalsContact O-CG 3.3Å; D2233-R2237 WeakPolarHBondContact O-CG 3.39Å; D2233-R2237 PolarHBondContact O-N 2.97Å; D2233-R2237 IonicContact OD1-NE 3.23Å; D2233-R2237 PolarHBondContact OD1-NE 2.78Å; D2233-R2237 IonicContact OD2-CZ 3.36Å; D2233-R2237 VanDerWaalsContact OD2-CZ 3.23Å; D2233-R2237 IonicContact OD2-NE 3.07Å; D2233-R2237 PolarHBondContact OD2-NE 3.38Å; D2233-R2237 IonicContact OD2-NH2 3.52Å; D2233-R2237 PolarHBondContact OD2-NH2 3.22Å; S2234-R2237 PolarHBondContact O-N 3.37Å; L2235-R2237 VanDerWaalsContact C-N 3.35Å; L2235-R2237 PolarHBondContact O-N 3.18Å; R2237-N2240 CarbonylContact O-C 3.52Å; R2237-N2240 PolarHBondContact O-N 3.32Å; R2237-G2241 PolarHBondContact O-N 3.26Å
2238F87.6Confident86.1Confident103.2 Ų103.266.1 Ų66.145%0.45333%0.326SS..Hα-helixtrans-61-50.5176.5175.6-109.6000112.6L1917 S2234 L2235 N2240 G2241 L2242L1917-F2238 HydrophobicContact CD1-CD2 3.77Å; L1917-F2238 HydrophobicContact CD1-CE2 3.89Å; S2234-F2238 WeakPolarHBondContact O-CB 3.29Å; S2234-F2238 PolarHBondContact O-N 3.22Å; L2235-F2238 HydrophobicContact CD1-CD1 4.45Å; L2235-F2238 WeakPolarHBondContact O-CB 3.3Å; L2235-F2238 PolarHBondContact O-N 3.17Å; F2238-N2240 VanDerWaalsContact C-N 3.32Å; F2238-N2240 PolarHBondContact O-N 3.18Å; F2238-G2241 WeakPolarHBondContact O-CA 3.36Å; F2238-G2241 PolarHBondContact O-N 3.1Å; F2238-G2241 VanDerWaalsContact O-N 3.11Å; F2238-L2242 HydrophobicContact CD1-CD1 4.19Å; F2238-L2242 HydrophobicContact CD2-CG 4.37Å; F2238-L2242 HydrophobicContact CE1-CD1 3.7Å; F2238-L2242 HydrophobicContact CE1-CG 4.38Å; F2238-L2242 HydrophobicContact CE2-CD1 4.25Å; F2238-L2242 HydrophobicContact CE2-CD2 4.01Å; F2238-L2242 HydrophobicContact CE2-CG 4.2Å; F2238-L2242 HydrophobicContact CZ-CD1 3.81Å; F2238-L2242 HydrophobicContact CZ-CD2 4.4Å; F2238-L2242 HydrophobicContact CZ-CG 4.26Å; F2238-L2242 PolarHBondContact O-N 3.06Å
2239L87.9Confident85.6Confident12.8 Ų12.863 Ų637%0.06732%0.315CS..Hα-helixtrans-62.3-37.8176.9-68.7175.1000112.4L2235 I2236 G2241 L2242 T2243 L2359 A2362 V2363 L2366L2235-L2239 HydrophobicContact CD1-CD1 4.15Å; L2235-L2239 HydrophobicContact CD1-CG 4.11Å; L2235-L2239 HydrophobicContact CG-CD1 4.05Å; L2235-L2239 HydrophobicContact CG-CG 4.42Å; L2235-L2239 WeakPolarHBondContact O-CB 3.36Å; L2235-L2239 VanDerWaalsContact O-CG 3.3Å; L2235-L2239 WeakPolarHBondContact O-CG 3.39Å; L2235-L2239 PolarHBondContact O-N 3.34Å; I2236-L2239 PolarHBondContact O-N 3.15Å; L2239-G2241 VanDerWaalsContact C-N 3.32Å; L2239-L2242 PolarHBondContact O-N 3.03Å; L2239-T2243 WeakPolarHBondContact O-CB 3.25Å; L2239-T2243 WeakPolarHBondContact O-CG2 3.21Å; L2239-T2243 PolarHBondContact O-N 3.15Å; L2239-T2243 VanDerWaalsContact O-N 3.09Å; L2239-T2243 PolarHBondContact O-OG1 3.23Å; L2239-L2359 HydrophobicContact CD1-CD1 3.93Å; L2239-A2362 HydrophobicContact CB-CB 3.85Å; L2239-A2362 HydrophobicContact CD1-CB 3.98Å; L2239-V2363 HydrophobicContact CD1-CG2 3.9Å; L2239-L2366 HydrophobicContact CD2-CB 4.24Å; L2239-L2366 HydrophobicContact CD2-CD1 4.12Å; L2239-L2366 HydrophobicContact CD2-CD2 3.82Å; L2239-L2366 HydrophobicContact CD2-CG 4.35Å
2240N86.9Confident85.3Confident25.8 Ų25.866.6 Ų66.614%0.13833%0.326CS..Hα-helixtrans-67-34.3173-81.8-40000112I2236 R2237 F2238 T2243 R2244 R2247I2236-N2240 VanDerWaalsContact CG2-ND2 3.29Å; I2236-N2240 WeakPolarHBondContact CG2-ND2 3.43Å; I2236-N2240 VanDerWaalsContact O-CB 3.22Å; I2236-N2240 WeakPolarHBondContact O-CB 3.38Å; I2236-N2240 VanDerWaalsContact O-CG 3.27Å; I2236-N2240 PolarHBondContact O-N 3.16Å; I2236-N2240 PolarHBondContact O-ND2 3.27Å; I2236-N2240 VanDerWaalsContact O-ND2 3.12Å; R2237-N2240 CarbonylContact O-C 3.52Å; R2237-N2240 PolarHBondContact O-N 3.32Å; F2238-N2240 VanDerWaalsContact C-N 3.32Å; F2238-N2240 PolarHBondContact O-N 3.18Å; N2240-T2243 WeakPolarHBondContact CA-OG1 3.26Å; N2240-T2243 CarbonylContact O-C 3.59Å; N2240-T2243 PolarHBondContact O-N 2.81Å; N2240-T2243 PolarHBondContact O-OG1 3.19Å; N2240-R2244 WeakPolarHBondContact O-CA 3.31Å; N2240-R2244 PolarHBondContact O-N 3.05Å; N2240-R2244 VanDerWaalsContact O-N 3.09Å; N2240-R2247 VanDerWaalsContact CB-NH2 3.31Å; N2240-R2247 PolarHBondContact O-NH2 3.08Å; N2240-R2247 VanDerWaalsContact OD1-CZ 3.28Å; N2240-R2247 PolarHBondContact OD1-NE 3.31Å; N2240-R2247 PolarHBondContact OD1-NH1 3.17Å; N2240-R2247 PolarHBondContact OD1-NH2 3.23Å
2241G84.1Confident84.8Confident46.8 Ų46.867.9 Ų67.948%0.48232%0.32SS..Hα-helixtrans-61.7-54.1171.900000111.8R2237 F2238 L2239 T2243 R2244R2237-G2241 PolarHBondContact O-N 3.26Å; F2238-G2241 WeakPolarHBondContact O-CA 3.36Å; F2238-G2241 PolarHBondContact O-N 3.1Å; F2238-G2241 VanDerWaalsContact O-N 3.11Å; L2239-G2241 VanDerWaalsContact C-N 3.32Å; G2241-T2243 VanDerWaalsContact C-N 3.29Å; G2241-T2243 PolarHBondContact O-N 3.04Å; G2241-T2243 VanDerWaalsContact O-N 3.09Å; G2241-R2244 VanDerWaalsContact O-CB 3.32Å; G2241-R2244 WeakPolarHBondContact O-CB 3.34Å; G2241-R2244 PolarHBondContact O-N 3.01Å; G2241-R2244 VanDerWaalsContact O-N 3.15Å
2242L86Confident84.2Confident70.6 Ų70.668 Ų6837%0.3732%0.319SS..Hα-helixtrans-55.9-33.3177-67.3178.8000113.1F2238 L2239 L2366F2238-L2242 HydrophobicContact CD1-CD1 4.19Å; F2238-L2242 HydrophobicContact CD2-CG 4.37Å; F2238-L2242 HydrophobicContact CE1-CD1 3.7Å; F2238-L2242 HydrophobicContact CE1-CG 4.38Å; F2238-L2242 HydrophobicContact CE2-CD1 4.25Å; F2238-L2242 HydrophobicContact CE2-CD2 4.01Å; F2238-L2242 HydrophobicContact CE2-CG 4.2Å; F2238-L2242 HydrophobicContact CZ-CD1 3.81Å; F2238-L2242 HydrophobicContact CZ-CD2 4.4Å; F2238-L2242 HydrophobicContact CZ-CG 4.26Å; F2238-L2242 PolarHBondContact O-N 3.06Å; L2239-L2242 PolarHBondContact O-N 3.03Å; L2242-L2366 HydrophobicContact CB-CD1 4.28Å; L2242-L2366 HydrophobicContact CD1-CD1 4.01Å
2243T87.7Confident83.7Confident0.4 Ų0.468.6 Ų68.60%0.00232%0.321CS..THydrogen-bonded Turntrans-97.11.6-178.158.20000114.3L2239 N2240 G2241 Q2245 Y2246 R2247 N2365 L2366 V2369L2239-T2243 WeakPolarHBondContact O-CB 3.25Å; L2239-T2243 WeakPolarHBondContact O-CG2 3.21Å; L2239-T2243 PolarHBondContact O-N 3.15Å; L2239-T2243 VanDerWaalsContact O-N 3.09Å; L2239-T2243 PolarHBondContact O-OG1 3.23Å; N2240-T2243 WeakPolarHBondContact CA-OG1 3.26Å; N2240-T2243 CarbonylContact O-C 3.59Å; N2240-T2243 PolarHBondContact O-N 2.81Å; N2240-T2243 PolarHBondContact O-OG1 3.19Å; G2241-T2243 VanDerWaalsContact C-N 3.29Å; G2241-T2243 PolarHBondContact O-N 3.04Å; G2241-T2243 VanDerWaalsContact O-N 3.09Å; T2243-Q2245 VanDerWaalsContact C-N 3.31Å; T2243-Q2245 PolarHBondContact O-N 3.22Å; T2243-Y2246 PolarHBondContact O-N 3.2Å; T2243-Y2246 VanDerWaalsContact O-N 3.12Å; T2243-R2247 WeakPolarHBondContact O-CB 3.38Å; T2243-R2247 WeakPolarHBondContact O-CG 3.24Å; T2243-R2247 PolarHBondContact O-N 3.2Å; T2243-R2247 WeakPolarHBondContact OG1-CD 3.45Å; T2243-R2247 PolarHBondContact OG1-NE 3.2Å; T2243-R2247 VanDerWaalsContact OG1-NE 3.12Å; T2243-N2365 HydrophobicContact CG2-CB 4.07Å; T2243-L2366 HydrophobicContact CG2-CB 4.35Å; T2243-L2366 HydrophobicContact CG2-CD1 4.33Å; T2243-V2369 HydrophobicContact CG2-CG2 4.28Å
2244R84Confident83.3Confident164 Ų16469.5 Ų69.562%0.61933%0.325SS*.Hα-helixtrans-53.3-47.7-172.2-173.5179.6-178.1-171.11.3112.7E1898 N2240 G2241 Y2246 R2247 R2248E1898-R2244 IonicContact OE2-CZ 2.64Å; E1898-R2244 IonicContact OE2-NE 2.74Å; E1898-R2244 PolarHBondContact OE2-NE 2.88Å; E1898-R2244 IonicContact OE2-NH2 2.79Å; E1898-R2244 PolarHBondContact OE2-NH2 3.33Å; N2240-R2244 WeakPolarHBondContact O-CA 3.31Å; N2240-R2244 PolarHBondContact O-N 3.05Å; N2240-R2244 VanDerWaalsContact O-N 3.09Å; G2241-R2244 VanDerWaalsContact O-CB 3.32Å; G2241-R2244 WeakPolarHBondContact O-CB 3.34Å; G2241-R2244 PolarHBondContact O-N 3.01Å; G2241-R2244 VanDerWaalsContact O-N 3.15Å; R2244-Y2246 PolarHBondContact O-N 3.2Å; R2244-R2247 PolarHBondContact O-N 3.15Å; R2244-R2248 PolarHBondContact O-N 3.3Å; R2244-R2248 VanDerWaalsContact O-N 3.08Å
2245Q82Confident82.7Confident120.8 Ų120.869.8 Ų69.856%0.56432%0.319SS*.Hα-helixtrans-64.8-47.1-178.4-65.6-175.5-25.100112.4T2243 R2247 R2248 I2249T2243-Q2245 VanDerWaalsContact C-N 3.31Å; T2243-Q2245 PolarHBondContact O-N 3.22Å; Q2245-R2247 VanDerWaalsContact C-N 3.31Å; Q2245-R2247 PolarHBondContact O-N 3.05Å; Q2245-R2248 WeakPolarHBondContact O-CB 3.4Å; Q2245-R2248 PolarHBondContact O-N 3.06Å; Q2245-R2248 VanDerWaalsContact O-N 3.16Å; Q2245-I2249 WeakPolarHBondContact O-CG1 3.39Å; Q2245-I2249 PolarHBondContact O-N 2.96Å
2246Y83.4Confident82Confident44.6 Ų44.669 Ų6918%0.17531%0.313CS..Hα-helixtrans-63.9-38.5177-170.4-101.5000112.1T2243 R2244 R2248 I2249 R2250 I2368 V2369 N2487T2243-Y2246 PolarHBondContact O-N 3.2Å; T2243-Y2246 VanDerWaalsContact O-N 3.12Å; R2244-Y2246 PolarHBondContact O-N 3.2Å; Y2246-R2248 VanDerWaalsContact C-N 3.34Å; Y2246-R2248 PolarHBondContact O-N 3.03Å; Y2246-I2249 PolarHBondContact O-N 3.29Å; Y2246-R2250 HydrophobicContact CE2-CB 4.5Å; Y2246-R2250 VanDerWaalsContact O-CB 3.26Å; Y2246-R2250 WeakPolarHBondContact O-CB 3.31Å; Y2246-R2250 PolarHBondContact O-N 3.24Å; Y2246-I2368 HydrophobicContact CE1-CB 4.4Å; Y2246-I2368 HydrophobicContact CE1-CG2 4.07Å; Y2246-I2368 HydrophobicContact CE2-CG2 4.24Å; Y2246-I2368 VanDerWaalsContact OH-CG2 3.28Å; Y2246-I2368 WeakPolarHBondContact OH-CG2 3.39Å; Y2246-V2369 VanDerWaalsContact CB-CG2 3.47Å; Y2246-V2369 HydrophobicContact CD1-CG2 3.48Å; Y2246-V2369 VanDerWaalsContact CD1-CG2 3.47Å; Y2246-V2369 HydrophobicContact CD2-CB 4.28Å; Y2246-V2369 HydrophobicContact CD2-CG1 3.46Å; Y2246-V2369 VanDerWaalsContact CD2-CG1 3.46Å; Y2246-V2369 HydrophobicContact CD2-CG2 4.09Å; Y2246-V2369 HydrophobicContact CE1-CG2 4.34Å; Y2246-V2369 HydrophobicContact CE2-CG1 3.49Å; Y2246-V2369 VanDerWaalsContact CE2-CG1 3.49Å; Y2246-V2369 HydrophobicContact CG-CG1 4.16Å; Y2246-V2369 HydrophobicContact CG-CG2 3.46Å; Y2246-V2369 VanDerWaalsContact CG-CG2 3.42Å; Y2246-N2487 PolarHBondContact OH-ND2 2.99Å; Y2246-N2487 PolarHBondContact OH-OD1 2.81Å
2247R83.5Confident81.6Confident45 Ų4571.8 Ų71.817%0.1733%0.326CS..Hα-helixtrans-66.1-35.3175.9-69-172.8-61129.77.9112.4N2240 T2243 R2244 Q2245 R2250 R2251 R2350N2240-R2247 VanDerWaalsContact CB-NH2 3.31Å; N2240-R2247 PolarHBondContact O-NH2 3.08Å; N2240-R2247 VanDerWaalsContact OD1-CZ 3.28Å; N2240-R2247 PolarHBondContact OD1-NE 3.31Å; N2240-R2247 PolarHBondContact OD1-NH1 3.17Å; N2240-R2247 PolarHBondContact OD1-NH2 3.23Å; T2243-R2247 WeakPolarHBondContact O-CB 3.38Å; T2243-R2247 WeakPolarHBondContact O-CG 3.24Å; T2243-R2247 PolarHBondContact O-N 3.2Å; T2243-R2247 WeakPolarHBondContact OG1-CD 3.45Å; T2243-R2247 PolarHBondContact OG1-NE 3.2Å; T2243-R2247 VanDerWaalsContact OG1-NE 3.12Å; R2244-R2247 PolarHBondContact O-N 3.15Å; Q2245-R2247 VanDerWaalsContact C-N 3.31Å; Q2245-R2247 PolarHBondContact O-N 3.05Å; R2247-R2250 PolarHBondContact O-N 2.86Å; R2247-R2251 WeakPolarHBondContact O-CB 3.45Å; R2247-R2251 VanDerWaalsContact O-CG 3.25Å; R2247-R2251 WeakPolarHBondContact O-CG 3.39Å; R2247-R2251 PolarHBondContact O-N 2.89Å; R2247-R2251 VanDerWaalsContact O-N 3.12Å; R2247-R2350 VanDerWaalsContact NH1-NH2 3.14Å
2248R79.6Confident81.1Confident128.8 Ų128.870.6 Ų70.649%0.48632%0.321SS..Hα-helixtrans-63.5-53.2172.2-151.2-177.8-127.4-176.9-2.9110.7F1886 E1898 R2244 Q2245 Y2246 R2250 R2251 T2252 D2332F1886-R2248 PolarHBondContact O-NH1 2.86Å; E1898-R2248 IonicContact OE1-CZ 2.78Å; E1898-R2248 IonicContact OE1-NE 3.65Å; E1898-R2248 PolarHBondContact OE1-NE 3.44Å; E1898-R2248 IonicContact OE1-NH2 3.48Å; E1898-R2248 PolarHBondContact OE1-NH2 3.1Å; E1898-R2248 IonicContact OE2-CZ 3.18Å; E1898-R2248 IonicContact OE2-NH2 2.72Å; E1898-R2248 PolarHBondContact OE2-NH2 2.99Å; R2244-R2248 PolarHBondContact O-N 3.3Å; R2244-R2248 VanDerWaalsContact O-N 3.08Å; Q2245-R2248 WeakPolarHBondContact O-CB 3.4Å; Q2245-R2248 PolarHBondContact O-N 3.06Å; Q2245-R2248 VanDerWaalsContact O-N 3.16Å; Y2246-R2248 VanDerWaalsContact C-N 3.34Å; Y2246-R2248 PolarHBondContact O-N 3.03Å; R2248-R2250 VanDerWaalsContact C-N 3.3Å; R2248-R2250 PolarHBondContact O-N 2.99Å; R2248-R2251 WeakPolarHBondContact O-CB 3.48Å; R2248-R2251 PolarHBondContact O-N 3.06Å; R2248-R2251 VanDerWaalsContact O-N 3.1Å; R2248-T2252 PolarHBondContact O-N 3.2Å; R2248-T2252 VanDerWaalsContact O-N 3.14Å; R2248-T2252 PolarHBondContact O-OG1 2.97Å; R2248-T2252 VanDerWaalsContact O-OG1 3.12Å; R2248-D2332 IonicContact CZ-OD1 3.65Å; R2248-D2332 IonicContact CZ-OD2 3.13Å; R2248-D2332 IonicContact NH1-OD2 2.87Å; R2248-D2332 VanDerWaalsContact NH2-CG 3.26Å; R2248-D2332 IonicContact NH2-OD1 3Å; R2248-D2332 PolarHBondContact NH2-OD1 3.24Å; R2248-D2332 IonicContact NH2-OD2 3.18Å; R2248-D2332 PolarHBondContact NH2-OD2 3.08Å
2249I78.5Confident80.5Confident62.2 Ų62.269.7 Ų69.732%0.31932%0.32SS..Hα-helixtrans-59.3-40.8178.9-65.3166.9000111.8L1478 K1482 D1877 Q2245 Y2246 R2251 T2252 I2253L1478-I2249 HydrophobicContact CB-CG2 4.05Å; L1478-I2249 HydrophobicContact CD1-CG2 4.29Å; K1482-I2249 HydrophobicContact CB-CD1 4.48Å; K1482-I2249 HydrophobicContact CD-CD1 4.14Å; K1482-I2249 HydrophobicContact CG-CD1 4.48Å; D1877-I2249 HydrophobicContact CB-CD1 4.36Å; Q2245-I2249 WeakPolarHBondContact O-CG1 3.39Å; Q2245-I2249 PolarHBondContact O-N 2.96Å; Y2246-I2249 PolarHBondContact O-N 3.29Å; I2249-R2251 VanDerWaalsContact C-N 3.32Å; I2249-R2251 PolarHBondContact O-N 2.96Å; I2249-T2252 PolarHBondContact O-N 2.86Å; I2249-T2252 PolarHBondContact O-OG1 3.06Å; I2249-T2252 VanDerWaalsContact O-OG1 3.09Å; I2249-I2253 HydrophobicContact CG2-CD1 3.72Å; I2249-I2253 HydrophobicContact CG2-CG1 4.43Å; I2249-I2253 WeakPolarHBondContact O-CB 3.35Å; I2249-I2253 WeakPolarHBondContact O-CD1 3.42Å; I2249-I2253 VanDerWaalsContact O-CG1 3.27Å; I2249-I2253 WeakPolarHBondContact O-CG1 3.36Å; I2249-I2253 PolarHBondContact O-N 3.03Å; I2249-I2253 VanDerWaalsContact O-N 3.09Å
2250R79.9Confident79.8Confident106.4 Ų106.470.4 Ų70.440%0.40233%0.325SS..Hα-helixtrans-64.4-42176.8-179.4177.9173.7177.23.5112.1Y2246 R2247 R2248 I2253 D2254 N2365Y2246-R2250 HydrophobicContact CE2-CB 4.5Å; Y2246-R2250 VanDerWaalsContact O-CB 3.26Å; Y2246-R2250 WeakPolarHBondContact O-CB 3.31Å; Y2246-R2250 PolarHBondContact O-N 3.24Å; R2247-R2250 PolarHBondContact O-N 2.86Å; R2248-R2250 VanDerWaalsContact C-N 3.3Å; R2248-R2250 PolarHBondContact O-N 2.99Å; R2250-I2253 PolarHBondContact O-N 3.22Å; R2250-D2254 WeakPolarHBondContact CG-OD2 3.37Å; R2250-D2254 IonicContact NE-OD2 3.32Å; R2250-D2254 PolarHBondContact NE-OD2 3.02Å; R2250-D2254 IonicContact NH2-OD2 2.77Å; R2250-D2254 VanDerWaalsContact O-CB 3.3Å; R2250-D2254 WeakPolarHBondContact O-CB 3.33Å; R2250-D2254 VanDerWaalsContact O-CG 3.29Å; R2250-D2254 PolarHBondContact O-N 3.08Å; R2250-N2365 PolarHBondContact NH1-OD1 3.15Å
2251R77.4Confident79.3Confident101.8 Ų101.873.8 Ų73.838%0.38434%0.339SS..Hα-helixtrans-61.1-47.1177.5-78.8174177.4173.5-3.2111.4D1901 R2247 R2248 I2249 I2253 D2254 Q2255 H2343 E2346D1901-R2251 VanDerWaalsContact CG-NH2 3.34Å; D1901-R2251 IonicContact OD1-NH2 2.86Å; D1901-R2251 PolarHBondContact OD1-NH2 3.01Å; D1901-R2251 IonicContact OD2-CZ 2.86Å; D1901-R2251 IonicContact OD2-NH1 2.92Å; D1901-R2251 PolarHBondContact OD2-NH1 3.49Å; D1901-R2251 IonicContact OD2-NH2 3.46Å; D1901-R2251 PolarHBondContact OD2-NH2 3.5Å; R2247-R2251 WeakPolarHBondContact O-CB 3.45Å; R2247-R2251 VanDerWaalsContact O-CG 3.25Å; R2247-R2251 WeakPolarHBondContact O-CG 3.39Å; R2247-R2251 PolarHBondContact O-N 2.89Å; R2247-R2251 VanDerWaalsContact O-N 3.12Å; R2248-R2251 WeakPolarHBondContact O-CB 3.48Å; R2248-R2251 PolarHBondContact O-N 3.06Å; R2248-R2251 VanDerWaalsContact O-N 3.1Å; I2249-R2251 VanDerWaalsContact C-N 3.32Å; I2249-R2251 PolarHBondContact O-N 2.96Å; R2251-I2253 PolarHBondContact O-N 3.11Å; R2251-D2254 CarbonylContact O-C 3.59Å; R2251-D2254 PolarHBondContact O-N 3.22Å; R2251-Q2255 WeakPolarHBondContact O-CB 3.32Å; R2251-Q2255 VanDerWaalsContact O-CG 3.32Å; R2251-Q2255 WeakPolarHBondContact O-CG 3.37Å; R2251-Q2255 PolarHBondContact O-N 3.03Å; R2251-Q2255 PolarHBondContact O-OE1 3.27Å; R2251-H2343 PolarHBondContact NH1-CE1 3.22Å; R2251-H2343 VanDerWaalsContact NH1-CE1 3.3Å; R2251-E2346 IonicContact CZ-OE2 3.47Å; R2251-E2346 VanDerWaalsContact CZ-OE2 3.27Å; R2251-E2346 IonicContact NE-OE2 3.17Å; R2251-E2346 PolarHBondContact NE-OE2 2.92Å; R2251-E2346 VanDerWaalsContact NH2-CD 3.27Å; R2251-E2346 IonicContact NH2-OE1 3.25Å; R2251-E2346 PolarHBondContact NH2-OE1 3.1Å; R2251-E2346 VanDerWaalsContact NH2-OE1 3.16Å; R2251-E2346 IonicContact NH2-OE2 3.41Å; R2251-E2346 PolarHBondContact NH2-OE2 2.95Å
2252T75.5Confident78.8Confident55.4 Ų55.478.6 Ų78.634%0.3434%0.342SS..Hα-helixtrans-62.5-45.5178.444.80000111.6R2248 I2249 D2254 Q2255 E2256R2248-T2252 PolarHBondContact O-N 3.2Å; R2248-T2252 VanDerWaalsContact O-N 3.14Å; R2248-T2252 PolarHBondContact O-OG1 2.97Å; R2248-T2252 VanDerWaalsContact O-OG1 3.12Å; I2249-T2252 PolarHBondContact O-N 2.86Å; I2249-T2252 PolarHBondContact O-OG1 3.06Å; I2249-T2252 VanDerWaalsContact O-OG1 3.09Å; T2252-D2254 VanDerWaalsContact C-N 3.34Å; T2252-D2254 PolarHBondContact O-N 3.13Å; T2252-Q2255 WeakPolarHBondContact O-CB 3.39Å; T2252-Q2255 PolarHBondContact O-N 3.23Å; T2252-Q2255 VanDerWaalsContact O-N 3.14Å; T2252-E2256 WeakPolarHBondContact O-CB 3.28Å; T2252-E2256 VanDerWaalsContact O-CG 3.32Å; T2252-E2256 WeakPolarHBondContact O-CG 3.33Å; T2252-E2256 PolarHBondContact O-N 3.12Å
2253I78.2Confident78Confident29.6 Ų29.678.5 Ų78.515%0.15234%0.337CS..Hα-helixtrans-61.4-41.7175.2-69.1170000111.6F1471 L1478 I2249 R2250 R2251 Q2255 E2256 K2257F1471-I2253 HydrophobicContact CB-CG2 4.44Å; L1478-I2253 HydrophobicContact CD1-CD1 4.09Å; L1478-I2253 HydrophobicContact CD1-CG1 3.88Å; I2249-I2253 HydrophobicContact CG2-CD1 3.72Å; I2249-I2253 HydrophobicContact CG2-CG1 4.43Å; I2249-I2253 WeakPolarHBondContact O-CB 3.35Å; I2249-I2253 WeakPolarHBondContact O-CD1 3.42Å; I2249-I2253 VanDerWaalsContact O-CG1 3.27Å; I2249-I2253 WeakPolarHBondContact O-CG1 3.36Å; I2249-I2253 PolarHBondContact O-N 3.03Å; I2249-I2253 VanDerWaalsContact O-N 3.09Å; R2250-I2253 PolarHBondContact O-N 3.22Å; R2251-I2253 PolarHBondContact O-N 3.11Å; I2253-Q2255 VanDerWaalsContact C-N 3.33Å; I2253-Q2255 PolarHBondContact O-N 3.05Å; I2253-E2256 PolarHBondContact O-N 3.38Å; I2253-K2257 HydrophobicContact CG2-CD 4.05Å; I2253-K2257 VanDerWaalsContact CG2-CE 3.44Å; I2253-K2257 HydrophobicContact CG2-CG 4.38Å; I2253-K2257 VanDerWaalsContact O-CB 3.28Å; I2253-K2257 WeakPolarHBondContact O-CB 3.45Å; I2253-K2257 WeakPolarHBondContact O-CD 3.15Å; I2253-K2257 VanDerWaalsContact O-CG 3.27Å; I2253-K2257 WeakPolarHBondContact O-CG 3.39Å; I2253-K2257 PolarHBondContact O-N 3.08Å
2254D77.6Confident77Confident55.2 Ų55.279.5 Ų79.530%0.29534%0.343SS..Hα-helixtrans-71.2-30.4179-73-20.6000111.6R2250 R2251 T2252 K2257 R2258R2250-D2254 WeakPolarHBondContact CG-OD2 3.37Å; R2250-D2254 IonicContact NE-OD2 3.32Å; R2250-D2254 PolarHBondContact NE-OD2 3.02Å; R2250-D2254 IonicContact NH2-OD2 2.77Å; R2250-D2254 VanDerWaalsContact O-CB 3.3Å; R2250-D2254 WeakPolarHBondContact O-CB 3.33Å; R2250-D2254 VanDerWaalsContact O-CG 3.29Å; R2250-D2254 PolarHBondContact O-N 3.08Å; R2251-D2254 CarbonylContact O-C 3.59Å; R2251-D2254 PolarHBondContact O-N 3.22Å; T2252-D2254 VanDerWaalsContact C-N 3.34Å; T2252-D2254 PolarHBondContact O-N 3.13Å; D2254-K2257 IonicContact OD1-NZ 3.12Å; D2254-K2257 PolarHBondContact OD1-NZ 3.13Å; D2254-R2258 WeakPolarHBondContact O-CD 3.29Å; D2254-R2258 VanDerWaalsContact O-CG 3.23Å; D2254-R2258 WeakPolarHBondContact O-CG 3.39Å; D2254-R2258 PolarHBondContact O-N 3.2Å; D2254-R2258 VanDerWaalsContact O-N 3.12Å
2255Q74.7Confident76.5Confident73.6 Ų73.675.8 Ų75.834%0.34434%0.335SS..Hα-helixtrans-67.4-50169.5-75.6168.6-53.500111.8R2251 T2252 I2253 K2257 R2258 L2259 D2339R2251-Q2255 WeakPolarHBondContact O-CB 3.32Å; R2251-Q2255 VanDerWaalsContact O-CG 3.32Å; R2251-Q2255 WeakPolarHBondContact O-CG 3.37Å; R2251-Q2255 PolarHBondContact O-N 3.03Å; R2251-Q2255 PolarHBondContact O-OE1 3.27Å; T2252-Q2255 WeakPolarHBondContact O-CB 3.39Å; T2252-Q2255 PolarHBondContact O-N 3.23Å; T2252-Q2255 VanDerWaalsContact O-N 3.14Å; I2253-Q2255 VanDerWaalsContact C-N 3.33Å; I2253-Q2255 PolarHBondContact O-N 3.05Å; Q2255-K2257 VanDerWaalsContact C-N 3.29Å; Q2255-K2257 PolarHBondContact O-N 3Å; Q2255-R2258 WeakPolarHBondContact O-CA 3.34Å; Q2255-R2258 WeakPolarHBondContact O-CB 3.38Å; Q2255-R2258 PolarHBondContact O-N 3.21Å; Q2255-R2258 VanDerWaalsContact O-N 3.07Å; Q2255-L2259 WeakPolarHBondContact O-CG 3.48Å; Q2255-L2259 PolarHBondContact O-N 3.28Å; Q2255-D2339 PolarHBondContact NE2-OD1 3.38Å; Q2255-D2339 PolarHBondContact NE2-OD2 3.07Å
2256E75.3Confident75.9Confident61 Ų6173.9 Ų73.929%0.28533%0.334SS..Hα-helixtrans-56.5-45.1175.5-71.8169.2-169.900111.4F1471 R1474 T2252 I2253 R2258 L2259 V2260 I2286 T2290F1471-E2256 HydrophobicContact CD1-CB 4.36Å; F1471-E2256 HydrophobicContact CE1-CB 3.44Å; F1471-E2256 VanDerWaalsContact CE1-CB 3.44Å; F1471-E2256 HydrophobicContact CE1-CG 4.42Å; F1471-E2256 WeakPolarHBondContact CE1-OE2 3.24Å; F1471-E2256 HydrophobicContact CZ-CB 3.75Å; R1474-E2256 VanDerWaalsContact CG-OE2 3.25Å; R1474-E2256 WeakPolarHBondContact CG-OE2 3.48Å; R1474-E2256 IonicContact CZ-OE1 3.58Å; R1474-E2256 IonicContact CZ-OE2 2.64Å; R1474-E2256 IonicContact NE-OE1 2.91Å; R1474-E2256 PolarHBondContact NE-OE1 3.07Å; R1474-E2256 IonicContact NE-OE2 3.43Å; R1474-E2256 PolarHBondContact NE-OE2 2.83Å; R1474-E2256 IonicContact NH2-OE1 2.63Å; R1474-E2256 PolarHBondContact NH2-OE1 3.46Å; R1474-E2256 IonicContact NH2-OE2 3.66Å; T2252-E2256 WeakPolarHBondContact O-CB 3.28Å; T2252-E2256 VanDerWaalsContact O-CG 3.32Å; T2252-E2256 WeakPolarHBondContact O-CG 3.33Å; T2252-E2256 PolarHBondContact O-N 3.12Å; I2253-E2256 PolarHBondContact O-N 3.38Å; E2256-R2258 VanDerWaalsContact C-N 3.28Å; E2256-R2258 PolarHBondContact O-N 3.11Å; E2256-L2259 WeakPolarHBondContact O-CB 3.46Å; E2256-L2259 PolarHBondContact O-N 3.22Å; E2256-L2259 VanDerWaalsContact O-N 3.11Å; E2256-V2260 WeakPolarHBondContact O-CG2 3.33Å; E2256-V2260 PolarHBondContact O-N 3.1Å; E2256-V2260 VanDerWaalsContact O-N 3.15Å; E2256-I2286 HydrophobicContact CB-CG2 4.37Å; E2256-T2290 HydrophobicContact CG-CG2 4.13Å
2257K77.1Confident74.9Confident62.8 Ų62.876.6 Ų76.627%0.27335%0.345SS..Hα-helixtrans-60-39.1174.3-74.6172.2-175.5167.90112.5V1467 F1471 I2253 D2254 Q2255 L2259 V2260 K2261 N2486V1467-K2257 HydrophobicContact CG1-CB 3.86Å; V1467-K2257 HydrophobicContact CG1-CD 4.5Å; V1467-K2257 HydrophobicContact CG1-CG 3.78Å; F1471-K2257 HydrophobicContact CB-CG 4.34Å; F1471-K2257 HydrophobicContact CD1-CG 4.48Å; F1471-K2257 HydrophobicContact CD2-CB 4.45Å; F1471-K2257 HydrophobicContact CD2-CG 3.51Å; F1471-K2257 HydrophobicContact CE2-CB 4.38Å; F1471-K2257 HydrophobicContact CE2-CG 3.87Å; F1471-K2257 HydrophobicContact CG-CG 3.84Å; I2253-K2257 HydrophobicContact CG2-CD 4.05Å; I2253-K2257 VanDerWaalsContact CG2-CE 3.44Å; I2253-K2257 HydrophobicContact CG2-CG 4.38Å; I2253-K2257 VanDerWaalsContact O-CB 3.28Å; I2253-K2257 WeakPolarHBondContact O-CB 3.45Å; I2253-K2257 WeakPolarHBondContact O-CD 3.15Å; I2253-K2257 VanDerWaalsContact O-CG 3.27Å; I2253-K2257 WeakPolarHBondContact O-CG 3.39Å; I2253-K2257 PolarHBondContact O-N 3.08Å; D2254-K2257 IonicContact OD1-NZ 3.12Å; D2254-K2257 PolarHBondContact OD1-NZ 3.13Å; Q2255-K2257 VanDerWaalsContact C-N 3.29Å; Q2255-K2257 PolarHBondContact O-N 3Å; K2257-L2259 VanDerWaalsContact C-N 3.29Å; K2257-L2259 PolarHBondContact O-N 2.78Å; K2257-V2260 PolarHBondContact O-N 3.21Å; K2257-K2261 VanDerWaalsContact O-CB 3.26Å; K2257-K2261 WeakPolarHBondContact O-CB 3.31Å; K2257-K2261 PolarHBondContact O-N 3.17Å; K2257-N2486 PolarHBondContact NZ-O 3.17Å; K2257-N2486 PolarHBondContact NZ-OD1 3.04Å; K2257-N2486 VanDerWaalsContact NZ-OD1 3.13Å
2258R76.6Confident73.6Confident111.8 Ų111.879.9 Ų79.942%0.42237%0.366SS..Hα-helixtrans-65-41.9175.3-72.9171.3-179.3-165.74.5111.6D2254 Q2255 E2256 K2261 R2262 D2342 H2343 E2346D2254-R2258 WeakPolarHBondContact O-CD 3.29Å; D2254-R2258 VanDerWaalsContact O-CG 3.23Å; D2254-R2258 WeakPolarHBondContact O-CG 3.39Å; D2254-R2258 PolarHBondContact O-N 3.2Å; D2254-R2258 VanDerWaalsContact O-N 3.12Å; Q2255-R2258 WeakPolarHBondContact O-CA 3.34Å; Q2255-R2258 WeakPolarHBondContact O-CB 3.38Å; Q2255-R2258 PolarHBondContact O-N 3.21Å; Q2255-R2258 VanDerWaalsContact O-N 3.07Å; E2256-R2258 VanDerWaalsContact C-N 3.28Å; E2256-R2258 PolarHBondContact O-N 3.11Å; R2258-K2261 PolarHBondContact O-N 3.08Å; R2258-R2262 WeakPolarHBondContact O-CB 3.43Å; R2258-R2262 WeakPolarHBondContact O-CG 3.42Å; R2258-R2262 PolarHBondContact O-N 3.26Å; R2258-R2262 VanDerWaalsContact O-N 3.09Å; R2258-D2342 IonicContact CZ-OD2 3.47Å; R2258-D2342 IonicContact NH1-OD2 3.4Å; R2258-D2342 PolarHBondContact NH1-OD2 3.08Å; R2258-D2342 IonicContact NH2-OD2 3.1Å; R2258-D2342 PolarHBondContact NH2-OD2 3.09Å; R2258-H2343 PolarHBondContact NH1-CE1 3.36Å; R2258-H2343 PolarHBondContact NH1-NE2 2.89Å; R2258-E2346 IonicContact CZ-OE1 3.75Å; R2258-E2346 IonicContact CZ-OE2 2.72Å; R2258-E2346 IonicContact NH1-OE1 3.87Å; R2258-E2346 IonicContact NH1-OE2 2.7Å; R2258-E2346 PolarHBondContact NH1-OE2 2.97Å; R2258-E2346 IonicContact NH2-OE1 2.8Å; R2258-E2346 PolarHBondContact NH2-OE1 3.31Å; R2258-E2346 IonicContact NH2-OE2 3.61Å; R2258-E2346 PolarHBondContact NH2-OE2 2.85Å
2259L75.3Confident72.4Confident84 Ų8478.9 Ų78.944%0.4438%0.376SS..Hα-helixtrans-63.8-47.5177.4-67.5173.2000111.5Q2255 E2256 K2257 K2261 R2262 R2263 I2286 F2298Q2255-L2259 WeakPolarHBondContact O-CG 3.48Å; Q2255-L2259 PolarHBondContact O-N 3.28Å; E2256-L2259 WeakPolarHBondContact O-CB 3.46Å; E2256-L2259 PolarHBondContact O-N 3.22Å; E2256-L2259 VanDerWaalsContact O-N 3.11Å; K2257-L2259 VanDerWaalsContact C-N 3.29Å; K2257-L2259 PolarHBondContact O-N 2.78Å; L2259-K2261 VanDerWaalsContact C-N 3.33Å; L2259-K2261 PolarHBondContact O-N 3.22Å; L2259-R2262 PolarHBondContact O-N 3Å; L2259-R2263 WeakPolarHBondContact O-CB 3.43Å; L2259-R2263 PolarHBondContact O-N 3.18Å; L2259-I2286 HydrophobicContact CB-CD1 3.94Å; L2259-I2286 HydrophobicContact CB-CG1 4.43Å; L2259-I2286 HydrophobicContact CB-CG2 4.31Å; L2259-I2286 HydrophobicContact CD1-CG2 4.26Å; L2259-F2298 HydrophobicContact CD1-CZ 4.34Å
2260V72.6Confident71.3Confident27.6 Ų27.678.2 Ų78.217%0.16738%0.376CS..Hα-helixtrans-60.2-45174.81740000110.7V1467 F1471 E2256 K2257 R2262 R2263 V2264 L2279 A2282 A2283 I2286V1467-V2260 HydrophobicContact CG2-CG1 4.23Å; F1471-V2260 HydrophobicContact CE2-CB 4.04Å; F1471-V2260 HydrophobicContact CE2-CG1 4.44Å; F1471-V2260 HydrophobicContact CE2-CG2 3.67Å; F1471-V2260 HydrophobicContact CZ-CB 4.41Å; F1471-V2260 HydrophobicContact CZ-CG2 3.61Å; E2256-V2260 WeakPolarHBondContact O-CG2 3.33Å; E2256-V2260 PolarHBondContact O-N 3.1Å; E2256-V2260 VanDerWaalsContact O-N 3.15Å; K2257-V2260 PolarHBondContact O-N 3.21Å; V2260-R2262 PolarHBondContact O-N 3.05Å; V2260-R2263 PolarHBondContact O-N 3.17Å; V2260-V2264 HydrophobicContact CG1-CG2 4.24Å; V2260-V2264 WeakPolarHBondContact O-CB 3.35Å; V2260-V2264 VanDerWaalsContact O-CG2 3.31Å; V2260-V2264 WeakPolarHBondContact O-CG2 3.38Å; V2260-V2264 PolarHBondContact O-N 3.15Å; V2260-L2279 HydrophobicContact CG1-CD1 3.87Å; V2260-A2282 HydrophobicContact CG1-CB 4.3Å; V2260-A2283 HydrophobicContact CG1-CB 4.32Å; V2260-A2283 HydrophobicContact CG2-CB 4.25Å; V2260-I2286 VanDerWaalsContact CA-CD1 3.47Å; V2260-I2286 HydrophobicContact CB-CD1 4.27Å; V2260-I2286 HydrophobicContact CG2-CB 4.11Å; V2260-I2286 HydrophobicContact CG2-CD1 3.7Å; V2260-I2286 HydrophobicContact CG2-CG1 4.39Å; V2260-I2286 HydrophobicContact CG2-CG2 4.2Å
2261K76.6Confident70.2Confident97.6 Ų97.677 Ų7742%0.42438%0.381SS..Hα-helixtrans-62.1-42.6178.7-172.6173-177176.50112.5L1463 D1464 K2257 R2258 L2259 R2263 V2264 I2265L1463-K2261 HydrophobicContact CD2-CG 3.94Å; L1463-K2261 HydrophobicContact CG-CG 4.26Å; D1464-K2261 IonicContact OD1-NZ 3.32Å; K2257-K2261 VanDerWaalsContact O-CB 3.26Å; K2257-K2261 WeakPolarHBondContact O-CB 3.31Å; K2257-K2261 PolarHBondContact O-N 3.17Å; R2258-K2261 PolarHBondContact O-N 3.08Å; L2259-K2261 VanDerWaalsContact C-N 3.33Å; L2259-K2261 PolarHBondContact O-N 3.22Å; K2261-R2263 VanDerWaalsContact C-N 3.31Å; K2261-R2263 PolarHBondContact O-N 2.94Å; K2261-V2264 PolarHBondContact O-N 3.06Å; K2261-I2265 HydrophobicContact CG-CD1 3.96Å; K2261-I2265 WeakPolarHBondContact O-CB 3.42Å; K2261-I2265 WeakPolarHBondContact O-CD1 3.43Å; K2261-I2265 VanDerWaalsContact O-CG1 3.26Å; K2261-I2265 WeakPolarHBondContact O-CG1 3.32Å; K2261-I2265 PolarHBondContact O-N 3.07Å
2262R72.6Confident69.4Low148 Ų14878.6 Ų78.656%0.55840%0.397SS*.Hα-helixtrans-60.1-46174.4-76.5176.6178175.8-0.9111.2R2258 L2259 V2260 V2264 I2265 S2266 D2339 D2342R2258-R2262 WeakPolarHBondContact O-CB 3.43Å; R2258-R2262 WeakPolarHBondContact O-CG 3.42Å; R2258-R2262 PolarHBondContact O-N 3.26Å; R2258-R2262 VanDerWaalsContact O-N 3.09Å; L2259-R2262 PolarHBondContact O-N 3Å; V2260-R2262 PolarHBondContact O-N 3.05Å; R2262-V2264 PolarHBondContact O-N 3.12Å; R2262-I2265 PolarHBondContact O-N 3.22Å; R2262-I2265 VanDerWaalsContact O-N 3.08Å; R2262-S2266 PolarHBondContact O-N 3.02Å; R2262-S2266 VanDerWaalsContact O-N 3.09Å; R2262-S2266 PolarHBondContact O-OG 3.21Å; R2262-D2339 IonicContact CZ-OD1 3.41Å; R2262-D2339 IonicContact CZ-OD2 3.66Å; R2262-D2339 IonicContact NH1-OD1 2.75Å; R2262-D2339 PolarHBondContact NH1-OD1 2.83Å; R2262-D2339 IonicContact NH1-OD2 2.67Å; R2262-D2339 PolarHBondContact NH1-OD2 3.23Å; R2262-D2339 IonicContact NH2-OD1 3.11Å; R2262-D2339 PolarHBondContact NH2-OD1 3.39Å; R2262-D2339 IonicContact NH2-OD2 2.63Å; R2262-D2342 IonicContact NH2-OD2 3.38Å
2263R69.7Low68.7Low68 Ų6884 Ų8426%0.25742%0.418SS..Hα-helixtrans-65-39.2179-171.3176.8-68.5-170.6-3.4112.8L2259 V2260 K2261 I2265 S2266 Y2267 A2282 E2285 I2286L2259-R2263 WeakPolarHBondContact O-CB 3.43Å; L2259-R2263 PolarHBondContact O-N 3.18Å; V2260-R2263 PolarHBondContact O-N 3.17Å; K2261-R2263 VanDerWaalsContact C-N 3.31Å; K2261-R2263 PolarHBondContact O-N 2.94Å; R2263-I2265 VanDerWaalsContact C-N 3.32Å; R2263-I2265 PolarHBondContact O-N 3.36Å; R2263-S2266 WeakPolarHBondContact CA-OG 3.46Å; R2263-S2266 PolarHBondContact O-N 3.22Å; R2263-S2266 PolarHBondContact O-OG 2.98Å; R2263-Y2267 HydrophobicContact CG-CD2 4.27Å; R2263-Y2267 HydrophobicContact CG-CE2 3.72Å; R2263-Y2267 VanDerWaalsContact CG-CE2 3.49Å; R2263-Y2267 VanDerWaalsContact O-CD2 3.27Å; R2263-Y2267 WeakPolarHBondContact O-CD2 3.34Å; R2263-Y2267 WeakPolarHBondContact O-CE2 3.32Å; R2263-Y2267 PolarHBondContact O-N 3.13Å; R2263-A2282 HydrophobicContact CB-CB 4.4Å; R2263-A2282 VanDerWaalsContact CD-CB 3.44Å; R2263-A2282 HydrophobicContact CG-CB 4.03Å; R2263-E2285 IonicContact CZ-OE1 2.73Å; R2263-E2285 IonicContact CZ-OE2 3.23Å; R2263-E2285 IonicContact NE-OE2 2.7Å; R2263-E2285 VanDerWaalsContact NH1-CD 3.25Å; R2263-E2285 VanDerWaalsContact NH1-CG 3.27Å; R2263-E2285 IonicContact NH1-OE1 3.32Å; R2263-E2285 PolarHBondContact NH1-OE1 3.44Å; R2263-E2285 VanDerWaalsContact NH1-OE1 3.11Å; R2263-E2285 IonicContact NH1-OE2 3.01Å; R2263-E2285 PolarHBondContact NH1-OE2 3.14Å; R2263-E2285 IonicContact NH2-OE1 3.17Å; R2263-E2285 PolarHBondContact NH2-OE1 2.98Å; R2263-E2285 IonicContact NH2-OE2 3.26Å; R2263-I2286 HydrophobicContact CB-CD1 4.02Å; R2263-I2286 VanDerWaalsContact CZ-CG1 3.4Å
2264V68.1Low67.8Low20.6 Ų20.687.2 Ų87.213%0.12543%0.433CS..Hα-helixtrans-67.1-37.4174.9171.60000111.8L1463 V2260 K2261 R2262 S2266 Y2267 L2275 L2279 A2282L1463-V2264 HydrophobicContact CD1-CG1 3.8Å; V2260-V2264 HydrophobicContact CG1-CG2 4.24Å; V2260-V2264 WeakPolarHBondContact O-CB 3.35Å; V2260-V2264 VanDerWaalsContact O-CG2 3.31Å; V2260-V2264 WeakPolarHBondContact O-CG2 3.38Å; V2260-V2264 PolarHBondContact O-N 3.15Å; K2261-V2264 PolarHBondContact O-N 3.06Å; R2262-V2264 PolarHBondContact O-N 3.12Å; V2264-S2266 VanDerWaalsContact C-N 3.28Å; V2264-S2266 PolarHBondContact O-N 3.18Å; V2264-Y2267 PolarHBondContact O-N 3.01Å; V2264-Y2267 VanDerWaalsContact O-N 3.13Å; V2264-L2275 HydrophobicContact CG1-CD1 3.63Å; V2264-L2279 HydrophobicContact CG1-CD1 4.1Å; V2264-L2279 HydrophobicContact CG2-CB 4.28Å; V2264-L2279 HydrophobicContact CG2-CD1 3.92Å; V2264-L2279 HydrophobicContact CG2-CD2 3.85Å; V2264-L2279 HydrophobicContact CG2-CG 3.95Å; V2264-A2282 HydrophobicContact CG2-CB 4.1Å
2265I71.7Confident66.8Low86.4 Ų86.486.1 Ų86.144%0.44343%0.427SS..Hα-helixtrans-67.1-36.2176.1-69.7166.5000111.6L1463 K2261 R2262 R2263 Y2267 L2268L1463-I2265 HydrophobicContact CD2-CD1 4.24Å; L1463-I2265 HydrophobicContact CD2-CG1 4.03Å; K2261-I2265 HydrophobicContact CG-CD1 3.96Å; K2261-I2265 WeakPolarHBondContact O-CB 3.42Å; K2261-I2265 WeakPolarHBondContact O-CD1 3.43Å; K2261-I2265 VanDerWaalsContact O-CG1 3.26Å; K2261-I2265 WeakPolarHBondContact O-CG1 3.32Å; K2261-I2265 PolarHBondContact O-N 3.07Å; R2262-I2265 PolarHBondContact O-N 3.22Å; R2262-I2265 VanDerWaalsContact O-N 3.08Å; R2263-I2265 VanDerWaalsContact C-N 3.32Å; R2263-I2265 PolarHBondContact O-N 3.36Å; I2265-Y2267 VanDerWaalsContact C-N 3.25Å; I2265-Y2267 PolarHBondContact O-N 3.02Å; I2265-L2268 VanDerWaalsContact O-CB 3.28Å; I2265-L2268 WeakPolarHBondContact O-CB 3.37Å; I2265-L2268 PolarHBondContact O-N 3.33Å
2266S69.2Low66.2Low80.6 Ų80.689.7 Ų89.756%0.56444%0.437SS*.Hα-helixtrans-70.3-12.517755.10000114.9R2262 R2263 V2264R2262-S2266 PolarHBondContact O-N 3.02Å; R2262-S2266 VanDerWaalsContact O-N 3.09Å; R2262-S2266 PolarHBondContact O-OG 3.21Å; R2263-S2266 WeakPolarHBondContact CA-OG 3.46Å; R2263-S2266 PolarHBondContact O-N 3.22Å; R2263-S2266 PolarHBondContact O-OG 2.98Å; V2264-S2266 VanDerWaalsContact C-N 3.28Å; V2264-S2266 PolarHBondContact O-N 3.18Å
2267Y62.8Low65.5Low103.2 Ų103.289.5 Ų89.541%0.40545%0.446SS..THydrogen-bonded Turntrans-101.721.7176.2-65.4-62.1000113.2R2263 V2264 I2265 P2269 S2270 H2278 A2282R2263-Y2267 HydrophobicContact CG-CD2 4.27Å; R2263-Y2267 HydrophobicContact CG-CE2 3.72Å; R2263-Y2267 VanDerWaalsContact CG-CE2 3.49Å; R2263-Y2267 VanDerWaalsContact O-CD2 3.27Å; R2263-Y2267 WeakPolarHBondContact O-CD2 3.34Å; R2263-Y2267 WeakPolarHBondContact O-CE2 3.32Å; R2263-Y2267 PolarHBondContact O-N 3.13Å; V2264-Y2267 PolarHBondContact O-N 3.01Å; V2264-Y2267 VanDerWaalsContact O-N 3.13Å; I2265-Y2267 VanDerWaalsContact C-N 3.25Å; I2265-Y2267 PolarHBondContact O-N 3.02Å; Y2267-P2269 WeakPolarHBondContact O-CD 3.39Å; Y2267-P2269 VanDerWaalsContact O-N 3.15Å; Y2267-S2270 VanDerWaalsContact O-CB 3.31Å; Y2267-S2270 WeakPolarHBondContact O-CB 3.46Å; Y2267-S2270 PolarHBondContact O-N 3.17Å; Y2267-S2270 PolarHBondContact O-OG 3.07Å; Y2267-S2270 VanDerWaalsContact O-OG 3.06Å; Y2267-H2278 HydrophobicContact CD2-CB 4.06Å; Y2267-H2278 AromaticContact CD2-CG 3.97Å; Y2267-H2278 AromaticContact CD2-ND1 3.89Å; Y2267-H2278 HydrophobicContact CG-CB 4.3Å; Y2267-H2278 AromaticContact CG-CG 3.98Å; Y2267-H2278 AromaticContact CG-ND1 3.89Å; Y2267-A2282 HydrophobicContact CE2-CB 4.14Å
2268L57Low64.8Low113.4 Ų113.490.1 Ų90.159%0.59445%0.449SS*.  trans-76.674.7-178.2-14077000113.6I2265 L2275I2265-L2268 VanDerWaalsContact O-CB 3.28Å; I2265-L2268 WeakPolarHBondContact O-CB 3.37Å; I2265-L2268 PolarHBondContact O-N 3.33Å; L2268-L2275 HydrophobicContact CD1-CD1 3.85Å; L2268-L2275 HydrophobicContact CD1-CD2 4.29Å
2269P54.6Low64.1Low107.2 Ų107.287 Ų8770%0.69644%0.441SS*.SBendtrans-116.474.5144.137.5-27.9000112.1Y2267 T2271 Q2274 L2275Y2267-P2269 WeakPolarHBondContact O-CD 3.39Å; Y2267-P2269 VanDerWaalsContact O-N 3.15Å; P2269-T2271 PolarHBondContact O-N 3.48Å; P2269-T2271 VanDerWaalsContact O-N 3.11Å; P2269-Q2274 HydrophobicContact CB-CB 4.15Å; P2269-L2275 HydrophobicContact CB-CB 4.38Å; P2269-L2275 HydrophobicContact CG-CB 3.96Å; P2269-L2275 HydrophobicContact CG-CD1 4.25Å
2270S54.8Low63.6Low47.4 Ų47.486.1 Ų86.133%0.33144%0.435SS..SBendtrans-114152176.862.10000112.9Y2267 Q2274 L2275Y2267-S2270 VanDerWaalsContact O-CB 3.31Å; Y2267-S2270 WeakPolarHBondContact O-CB 3.46Å; Y2267-S2270 PolarHBondContact O-N 3.17Å; Y2267-S2270 PolarHBondContact O-OG 3.07Å; Y2267-S2270 VanDerWaalsContact O-OG 3.06Å; S2270-Q2274 VanDerWaalsContact N-OE1 3.16Å; S2270-Q2274 PolarHBondContact OG-OE1 2.82Å; S2270-L2275 WeakPolarHBondContact OG-CA 3.46Å
2271T57.5Low63.2Low82.8 Ų82.887.4 Ų87.451%0.50845%0.445SS..  trans-81.2157.4-176.954.30000112.7P2269 E2273 Q2274 L2275P2269-T2271 PolarHBondContact O-N 3.48Å; P2269-T2271 VanDerWaalsContact O-N 3.11Å; T2271-E2273 PolarHBondContact O-N 3.21Å; T2271-E2273 VanDerWaalsContact O-N 3.14Å; T2271-Q2274 VanDerWaalsContact N-OE1 3.11Å; T2271-Q2274 PolarHBondContact O-N 2.99Å; T2271-Q2274 VanDerWaalsContact O-N 3.15Å; T2271-Q2274 WeakPolarHBondContact OG1-CB 3.33Å; T2271-Q2274 WeakPolarHBondContact OG1-CG 3.39Å; T2271-Q2274 PolarHBondContact OG1-N 3.45Å; T2271-Q2274 PolarHBondContact OG1-OE1 3.17Å; T2271-L2275 VanDerWaalsContact O-CB 3.3Å; T2271-L2275 WeakPolarHBondContact O-CB 3.47Å; T2271-L2275 PolarHBondContact O-N 3.15Å
2272N60.6Low62.5Low135.2 Ų135.283 Ų8372%0.72343%0.427SS*.Hα-helixtrans-54.7-29.9-177.4-77.5-31.2000114.5R2276N2272-R2276 PolarHBondContact O-N 3.34Å; N2272-R2276 VanDerWaalsContact O-N 3.08Å
2273E60.1Low62.1Low167 Ų16777 Ų7778%0.7841%0.408SS*.Hα-helixtrans-77.2-43.6177.2-65.9-179143.600111.8T2271 L2275 R2276 A2277T2271-E2273 PolarHBondContact O-N 3.21Å; T2271-E2273 VanDerWaalsContact O-N 3.14Å; E2273-L2275 VanDerWaalsContact C-N 3.3Å; E2273-L2275 PolarHBondContact O-N 3.03Å; E2273-R2276 WeakPolarHBondContact O-CB 3.45Å; E2273-R2276 PolarHBondContact O-N 3.01Å; E2273-A2277 PolarHBondContact O-N 3.03Å; E2273-A2277 VanDerWaalsContact O-N 3.12Å
2274Q58.7Low61.8Low97.6 Ų97.677.3 Ų77.346%0.45642%0.415SS..Hα-helixtrans-62.1-40173.3-70.8174.7-23.900111.4P2269 S2270 T2271 R2276 A2277 H2278P2269-Q2274 HydrophobicContact CB-CB 4.15Å; S2270-Q2274 VanDerWaalsContact N-OE1 3.16Å; S2270-Q2274 PolarHBondContact OG-OE1 2.82Å; T2271-Q2274 VanDerWaalsContact N-OE1 3.11Å; T2271-Q2274 PolarHBondContact O-N 2.99Å; T2271-Q2274 VanDerWaalsContact O-N 3.15Å; T2271-Q2274 WeakPolarHBondContact OG1-CB 3.33Å; T2271-Q2274 WeakPolarHBondContact OG1-CG 3.39Å; T2271-Q2274 PolarHBondContact OG1-N 3.45Å; T2271-Q2274 PolarHBondContact OG1-OE1 3.17Å; Q2274-R2276 VanDerWaalsContact C-N 3.27Å; Q2274-R2276 PolarHBondContact O-N 2.96Å; Q2274-A2277 PolarHBondContact O-N 3.21Å; Q2274-A2277 VanDerWaalsContact O-N 3.13Å; Q2274-H2278 WeakPolarHBondContact O-CB 3.35Å; Q2274-H2278 PolarHBondContact O-CD2 3.35Å; Q2274-H2278 VanDerWaalsContact O-CD2 3.27Å; Q2274-H2278 PolarHBondContact O-N 3.27Å
2275L58Low61.5Low32.6 Ų32.680.5 Ų80.517%0.17143%0.428CS..Hα-helixtrans-55.9-39.4176.2-172.774.2000111.7V2264 L2268 P2269 S2270 T2271 E2273 A2277 H2278 L2279V2264-L2275 HydrophobicContact CG1-CD1 3.63Å; L2268-L2275 HydrophobicContact CD1-CD1 3.85Å; L2268-L2275 HydrophobicContact CD1-CD2 4.29Å; P2269-L2275 HydrophobicContact CB-CB 4.38Å; P2269-L2275 HydrophobicContact CG-CB 3.96Å; P2269-L2275 HydrophobicContact CG-CD1 4.25Å; S2270-L2275 WeakPolarHBondContact OG-CA 3.46Å; T2271-L2275 VanDerWaalsContact O-CB 3.3Å; T2271-L2275 WeakPolarHBondContact O-CB 3.47Å; T2271-L2275 PolarHBondContact O-N 3.15Å; E2273-L2275 VanDerWaalsContact C-N 3.3Å; E2273-L2275 PolarHBondContact O-N 3.03Å; L2275-A2277 PolarHBondContact O-N 2.82Å; L2275-H2278 PolarHBondContact O-N 2.99Å; L2275-L2279 HydrophobicContact CG-CD1 4.43Å; L2275-L2279 VanDerWaalsContact O-CB 3.27Å; L2275-L2279 WeakPolarHBondContact O-CB 3.33Å; L2275-L2279 PolarHBondContact O-N 3.03Å
2276R61.4Low60.9Low149.2 Ų149.277.4 Ų77.456%0.56341%0.413SS*.Hα-helixtrans-68.5-47.2179-173.8175.3-179.2141.1-2.2111.9N2272 E2273 Q2274 H2278 L2279 E2280N2272-R2276 PolarHBondContact O-N 3.34Å; N2272-R2276 VanDerWaalsContact O-N 3.08Å; E2273-R2276 WeakPolarHBondContact O-CB 3.45Å; E2273-R2276 PolarHBondContact O-N 3.01Å; Q2274-R2276 VanDerWaalsContact C-N 3.27Å; Q2274-R2276 PolarHBondContact O-N 2.96Å; R2276-H2278 VanDerWaalsContact C-N 3.3Å; R2276-H2278 PolarHBondContact O-N 3.12Å; R2276-L2279 WeakPolarHBondContact O-CB 3.45Å; R2276-L2279 PolarHBondContact O-N 2.86Å; R2276-L2279 VanDerWaalsContact O-N 3.14Å; R2276-E2280 HydrophobicContact CG-CG 4.5Å; R2276-E2280 WeakPolarHBondContact CG-OE1 3.4Å; R2276-E2280 IonicContact CZ-OE1 3.47Å; R2276-E2280 VanDerWaalsContact CZ-OE1 3.31Å; R2276-E2280 IonicContact NE-OE1 3.07Å; R2276-E2280 PolarHBondContact NE-OE1 3.22Å; R2276-E2280 IonicContact NE-OE2 2.65Å; R2276-E2280 IonicContact NH2-OE1 3.32Å; R2276-E2280 PolarHBondContact NH2-OE1 3.01Å; R2276-E2280 WeakPolarHBondContact O-CB 3.28Å; R2276-E2280 WeakPolarHBondContact O-CG 3.37Å; R2276-E2280 PolarHBondContact O-N 3.25Å
2277A60.9Low60.4Low55.8 Ų55.877.3 Ų77.346%0.46141%0.405SS..Hα-helixtrans-63.3-38.4176.200000112E2273 Q2274 L2275 E2280 S2281E2273-A2277 PolarHBondContact O-N 3.03Å; E2273-A2277 VanDerWaalsContact O-N 3.12Å; Q2274-A2277 PolarHBondContact O-N 3.21Å; Q2274-A2277 VanDerWaalsContact O-N 3.13Å; L2275-A2277 PolarHBondContact O-N 2.82Å; A2277-E2280 PolarHBondContact O-N 3.2Å; A2277-S2281 VanDerWaalsContact O-CB 3.31Å; A2277-S2281 WeakPolarHBondContact O-CB 3.32Å; A2277-S2281 PolarHBondContact O-N 3.16Å; A2277-S2281 PolarHBondContact O-OG 3.08Å
2278H61.9Low60Low75.2 Ų75.275.7 Ų75.735%0.34841%0.409SS..Hα-helixtrans-68.7-35.6173.3-76-57000112.9Y2267 Q2274 L2275 R2276 S2281 A2282Y2267-H2278 HydrophobicContact CD2-CB 4.06Å; Y2267-H2278 AromaticContact CD2-CG 3.97Å; Y2267-H2278 AromaticContact CD2-ND1 3.89Å; Y2267-H2278 HydrophobicContact CG-CB 4.3Å; Y2267-H2278 AromaticContact CG-CG 3.98Å; Y2267-H2278 AromaticContact CG-ND1 3.89Å; Q2274-H2278 WeakPolarHBondContact O-CB 3.35Å; Q2274-H2278 PolarHBondContact O-CD2 3.35Å; Q2274-H2278 VanDerWaalsContact O-CD2 3.27Å; Q2274-H2278 PolarHBondContact O-N 3.27Å; L2275-H2278 PolarHBondContact O-N 2.99Å; R2276-H2278 VanDerWaalsContact C-N 3.3Å; R2276-H2278 PolarHBondContact O-N 3.12Å; H2278-S2281 WeakPolarHBondContact CA-OG 3.37Å; H2278-S2281 PolarHBondContact O-OG 3.33Å; H2278-A2282 WeakPolarHBondContact O-CA 3.46Å; H2278-A2282 WeakPolarHBondContact O-CB 3.35Å; H2278-A2282 PolarHBondContact O-N 3.17Å
2279L63.1Low59.6Low48.2 Ų48.273.3 Ų73.325%0.25240%0.399SS..Hα-helixtrans-66.9-42.6174.1-159.8108.7000111.6Q1466 V1467 V2260 V2264 L2275 R2276 A2283Q1466-L2279 HydrophobicContact CB-CD2 4.04Å; V1467-L2279 HydrophobicContact CG2-CD1 3.72Å; V2260-L2279 HydrophobicContact CG1-CD1 3.87Å; V2264-L2279 HydrophobicContact CG1-CD1 4.1Å; V2264-L2279 HydrophobicContact CG2-CB 4.28Å; V2264-L2279 HydrophobicContact CG2-CD1 3.92Å; V2264-L2279 HydrophobicContact CG2-CD2 3.85Å; V2264-L2279 HydrophobicContact CG2-CG 3.95Å; L2275-L2279 HydrophobicContact CG-CD1 4.43Å; L2275-L2279 VanDerWaalsContact O-CB 3.27Å; L2275-L2279 WeakPolarHBondContact O-CB 3.33Å; L2275-L2279 PolarHBondContact O-N 3.03Å; R2276-L2279 WeakPolarHBondContact O-CB 3.45Å; R2276-L2279 PolarHBondContact O-N 2.86Å; R2276-L2279 VanDerWaalsContact O-N 3.14Å; L2279-A2283 VanDerWaalsContact O-CB 3.26Å; L2279-A2283 WeakPolarHBondContact O-CB 3.24Å; L2279-A2283 PolarHBondContact O-N 3.09Å
2280E63.6Low59.3Low65.4 Ų65.471 Ų7131%0.30638%0.383SS..Hα-helixtrans-70.1-42.1179.5-73171.8-177.900111.4R1470 R2276 A2277 A2283 L2284 I2503R1470-E2280 VanDerWaalsContact CZ-CG 3.49Å; R1470-E2280 IonicContact CZ-OE1 3.23Å; R1470-E2280 IonicContact NH1-OE1 3.62Å; R1470-E2280 PolarHBondContact NH1-OE1 2.92Å; R1470-E2280 IonicContact NH2-OE1 2.75Å; R1470-E2280 PolarHBondContact NH2-OE1 3.49Å; R2276-E2280 HydrophobicContact CG-CG 4.5Å; R2276-E2280 WeakPolarHBondContact CG-OE1 3.4Å; R2276-E2280 IonicContact CZ-OE1 3.47Å; R2276-E2280 VanDerWaalsContact CZ-OE1 3.31Å; R2276-E2280 IonicContact NE-OE1 3.07Å; R2276-E2280 PolarHBondContact NE-OE1 3.22Å; R2276-E2280 IonicContact NE-OE2 2.65Å; R2276-E2280 IonicContact NH2-OE1 3.32Å; R2276-E2280 PolarHBondContact NH2-OE1 3.01Å; R2276-E2280 WeakPolarHBondContact O-CB 3.28Å; R2276-E2280 WeakPolarHBondContact O-CG 3.37Å; R2276-E2280 PolarHBondContact O-N 3.25Å; A2277-E2280 PolarHBondContact O-N 3.2Å; E2280-A2283 PolarHBondContact O-N 3.01Å; E2280-L2284 VanDerWaalsContact O-CB 3.24Å; E2280-L2284 WeakPolarHBondContact O-CB 3.35Å; E2280-L2284 PolarHBondContact O-N 3.25Å; E2280-I2503 HydrophobicContact CB-CG2 4.16Å
2281S64.3Low58.7Low54.8 Ų54.872.7 Ų72.738%0.38339%0.393SS..Hα-helixtrans-69.2-41.6173.957.40000113.1A2277 H2278 A2283 L2284 E2285A2277-S2281 VanDerWaalsContact O-CB 3.31Å; A2277-S2281 WeakPolarHBondContact O-CB 3.32Å; A2277-S2281 PolarHBondContact O-N 3.16Å; A2277-S2281 PolarHBondContact O-OG 3.08Å; H2278-S2281 WeakPolarHBondContact CA-OG 3.37Å; H2278-S2281 PolarHBondContact O-OG 3.33Å; S2281-A2283 VanDerWaalsContact C-N 3.32Å; S2281-A2283 PolarHBondContact O-N 3.24Å; S2281-L2284 PolarHBondContact O-N 2.92Å; S2281-E2285 VanDerWaalsContact O-CB 3.25Å; S2281-E2285 WeakPolarHBondContact O-CB 3.34Å; S2281-E2285 PolarHBondContact O-N 3.2Å
2282A63Low58Low4.2 Ų4.275.2 Ų75.24%0.03540%0.399CS..Hα-helixtrans-63.2-39.4175.100000112.2V2260 R2263 V2264 Y2267 H2278 I2286V2260-A2282 HydrophobicContact CG1-CB 4.3Å; R2263-A2282 HydrophobicContact CB-CB 4.4Å; R2263-A2282 VanDerWaalsContact CD-CB 3.44Å; R2263-A2282 HydrophobicContact CG-CB 4.03Å; V2264-A2282 HydrophobicContact CG2-CB 4.1Å; Y2267-A2282 HydrophobicContact CE2-CB 4.14Å; H2278-A2282 WeakPolarHBondContact O-CA 3.46Å; H2278-A2282 WeakPolarHBondContact O-CB 3.35Å; H2278-A2282 PolarHBondContact O-N 3.17Å; A2282-I2286 WeakPolarHBondContact O-CB 3.41Å; A2282-I2286 WeakPolarHBondContact O-CD1 3.44Å; A2282-I2286 VanDerWaalsContact O-CG1 3.25Å; A2282-I2286 WeakPolarHBondContact O-CG1 3.33Å; A2282-I2286 PolarHBondContact O-N 3.21Å; A2282-I2286 VanDerWaalsContact O-N 3.11Å
2283A64.2Low56.9Low21.2 Ų21.277.5 Ų77.518%0.17540%0.397CS..Hα-helixtrans-67.5-45.9174.400000111.5V2260 L2279 E2280 S2281 E2285 I2286 I2287V2260-A2283 HydrophobicContact CG1-CB 4.32Å; V2260-A2283 HydrophobicContact CG2-CB 4.25Å; L2279-A2283 VanDerWaalsContact O-CB 3.26Å; L2279-A2283 WeakPolarHBondContact O-CB 3.24Å; L2279-A2283 PolarHBondContact O-N 3.09Å; E2280-A2283 PolarHBondContact O-N 3.01Å; S2281-A2283 VanDerWaalsContact C-N 3.32Å; S2281-A2283 PolarHBondContact O-N 3.24Å; A2283-E2285 VanDerWaalsContact C-N 3.33Å; A2283-E2285 PolarHBondContact O-N 3.06Å; A2283-I2286 PolarHBondContact O-N 3.02Å; A2283-I2287 HydrophobicContact CB-CD1 4.41Å; A2283-I2287 VanDerWaalsContact O-CB 3.29Å; A2283-I2287 WeakPolarHBondContact O-CB 3.24Å; A2283-I2287 WeakPolarHBondContact O-CD1 3.37Å; A2283-I2287 WeakPolarHBondContact O-CG1 3.35Å; A2283-I2287 PolarHBondContact O-N 3.16Å
2284L62.3Low55.7Low74.8 Ų74.873.9 Ų73.939%0.39238%0.381SS..Hα-helixtrans-63.3-38.9178.4-135.9144.2000112.2E2280 S2281 I2287 S2288 L2500 I2503 V2504E2280-L2284 VanDerWaalsContact O-CB 3.24Å; E2280-L2284 WeakPolarHBondContact O-CB 3.35Å; E2280-L2284 PolarHBondContact O-N 3.25Å; S2281-L2284 PolarHBondContact O-N 2.92Å; L2284-I2287 PolarHBondContact O-N 2.9Å; L2284-S2288 VanDerWaalsContact O-CB 3.28Å; L2284-S2288 WeakPolarHBondContact O-CB 3.21Å; L2284-S2288 PolarHBondContact O-N 3.36Å; L2284-S2288 PolarHBondContact O-OG 3.18Å; L2284-L2500 HydrophobicContact CD1-CD1 4.02Å; L2284-L2500 HydrophobicContact CD2-CD1 3.9Å; L2284-L2500 HydrophobicContact CD2-CD2 4.5Å; L2284-L2500 HydrophobicContact CD2-CG 3.98Å; L2284-L2500 HydrophobicContact CG-CD1 4.08Å; L2284-I2503 HydrophobicContact CD1-CG2 3.79Å; L2284-V2504 HydrophobicContact CD1-CG2 4.09Å; L2284-V2504 HydrophobicContact CD2-CG2 4Å
2285E62Low54.4Low88 Ų8876.1 Ų76.141%0.41140%0.395SS..Hα-helixtrans-65.5-45.5175.8-167.6-162.1164.300111.1R2263 S2281 A2283 I2287 S2288 T2289R2263-E2285 IonicContact CZ-OE1 2.73Å; R2263-E2285 IonicContact CZ-OE2 3.23Å; R2263-E2285 IonicContact NE-OE2 2.7Å; R2263-E2285 VanDerWaalsContact NH1-CD 3.25Å; R2263-E2285 VanDerWaalsContact NH1-CG 3.27Å; R2263-E2285 IonicContact NH1-OE1 3.32Å; R2263-E2285 PolarHBondContact NH1-OE1 3.44Å; R2263-E2285 VanDerWaalsContact NH1-OE1 3.11Å; R2263-E2285 IonicContact NH1-OE2 3.01Å; R2263-E2285 PolarHBondContact NH1-OE2 3.14Å; R2263-E2285 IonicContact NH2-OE1 3.17Å; R2263-E2285 PolarHBondContact NH2-OE1 2.98Å; R2263-E2285 IonicContact NH2-OE2 3.26Å; S2281-E2285 VanDerWaalsContact O-CB 3.25Å; S2281-E2285 WeakPolarHBondContact O-CB 3.34Å; S2281-E2285 PolarHBondContact O-N 3.2Å; A2283-E2285 VanDerWaalsContact C-N 3.33Å; A2283-E2285 PolarHBondContact O-N 3.06Å; E2285-I2287 VanDerWaalsContact C-N 3.31Å; E2285-I2287 PolarHBondContact O-N 3.12Å; E2285-S2288 WeakPolarHBondContact CA-OG 3.4Å; E2285-S2288 CarbonylContact O-C 3.59Å; E2285-S2288 WeakPolarHBondContact O-CA 3.44Å; E2285-S2288 WeakPolarHBondContact O-CB 3.39Å; E2285-S2288 PolarHBondContact O-N 3.27Å; E2285-S2288 VanDerWaalsContact O-N 3.1Å; E2285-S2288 PolarHBondContact O-OG 3.23Å; E2285-T2289 HydrophobicContact CG-CG2 4.38Å; E2285-T2289 VanDerWaalsContact O-CB 3.23Å; E2285-T2289 WeakPolarHBondContact O-CB 3.42Å; E2285-T2289 WeakPolarHBondContact O-CG2 3.31Å; E2285-T2289 PolarHBondContact O-N 3.2Å; E2285-T2289 VanDerWaalsContact O-N 3.07Å; E2285-T2289 PolarHBondContact O-OG1 3.15Å
2286I59.6Low53.3Low21.2 Ų21.278.1 Ų78.111%0.10941%0.412CS..Hα-helixtrans-65.8-38177.1-71.1164.8000111.7E2256 L2259 V2260 R2263 A2282 A2283 S2288 T2289 T2290E2256-I2286 HydrophobicContact CB-CG2 4.37Å; L2259-I2286 HydrophobicContact CB-CD1 3.94Å; L2259-I2286 HydrophobicContact CB-CG1 4.43Å; L2259-I2286 HydrophobicContact CB-CG2 4.31Å; L2259-I2286 HydrophobicContact CD1-CG2 4.26Å; V2260-I2286 VanDerWaalsContact CA-CD1 3.47Å; V2260-I2286 HydrophobicContact CB-CD1 4.27Å; V2260-I2286 HydrophobicContact CG2-CB 4.11Å; V2260-I2286 HydrophobicContact CG2-CD1 3.7Å; V2260-I2286 HydrophobicContact CG2-CG1 4.39Å; V2260-I2286 HydrophobicContact CG2-CG2 4.2Å; R2263-I2286 HydrophobicContact CB-CD1 4.02Å; R2263-I2286 VanDerWaalsContact CZ-CG1 3.4Å; A2282-I2286 WeakPolarHBondContact O-CB 3.41Å; A2282-I2286 WeakPolarHBondContact O-CD1 3.44Å; A2282-I2286 VanDerWaalsContact O-CG1 3.25Å; A2282-I2286 WeakPolarHBondContact O-CG1 3.33Å; A2282-I2286 PolarHBondContact O-N 3.21Å; A2282-I2286 VanDerWaalsContact O-N 3.11Å; A2283-I2286 PolarHBondContact O-N 3.02Å; I2286-S2288 VanDerWaalsContact C-N 3.33Å; I2286-S2288 PolarHBondContact O-N 3.04Å; I2286-T2289 WeakPolarHBondContact CA-OG1 3.32Å; I2286-T2289 CarbonylContact O-C 3.59Å; I2286-T2289 PolarHBondContact O-N 3.05Å; I2286-T2289 PolarHBondContact O-OG1 3.35Å; I2286-T2289 VanDerWaalsContact O-OG1 3.11Å; I2286-T2290 WeakPolarHBondContact O-CG2 3.42Å; I2286-T2290 PolarHBondContact O-N 2.88Å; I2286-T2290 VanDerWaalsContact O-N 3.13Å; I2286-T2290 PolarHBondContact O-OG1 3.01Å
2287I58.4Low51.9Low78.8 Ų78.877.3 Ų77.340%0.40442%0.417SS..Hα-helixtrans-72.5-28.3177.3-68164.5000111.8F1471 R1474 A2283 L2284 E2285 T2289 T2290 F2496 L2500F1471-I2287 HydrophobicContact CE1-CD1 4.25Å; F1471-I2287 HydrophobicContact CE1-CG1 3.99Å; R1474-I2287 HydrophobicContact CB-CD1 4.17Å; R1474-I2287 HydrophobicContact CB-CG1 4.39Å; R1474-I2287 HydrophobicContact CG-CG1 4.37Å; A2283-I2287 HydrophobicContact CB-CD1 4.41Å; A2283-I2287 VanDerWaalsContact O-CB 3.29Å; A2283-I2287 WeakPolarHBondContact O-CB 3.24Å; A2283-I2287 WeakPolarHBondContact O-CD1 3.37Å; A2283-I2287 WeakPolarHBondContact O-CG1 3.35Å; A2283-I2287 PolarHBondContact O-N 3.16Å; L2284-I2287 PolarHBondContact O-N 2.9Å; E2285-I2287 VanDerWaalsContact C-N 3.31Å; E2285-I2287 PolarHBondContact O-N 3.12Å; I2287-T2289 VanDerWaalsContact C-N 3.35Å; I2287-T2290 WeakPolarHBondContact CA-OG1 3.49Å; I2287-T2290 PolarHBondContact O-OG1 3.05Å; I2287-T2290 VanDerWaalsContact O-OG1 3.1Å; I2287-F2496 HydrophobicContact CD1-CZ 4.1Å; I2287-F2496 HydrophobicContact CG2-CZ 4.36Å; I2287-L2500 HydrophobicContact CG2-CD2 4.37Å
2288S53.1Low50.6Low69.6 Ų69.681.2 Ų81.249%0.48742%0.424SS..Hα-helixtrans-88.8-18176.567.30000114.2L2284 E2285 I2286 T2290L2284-S2288 VanDerWaalsContact O-CB 3.28Å; L2284-S2288 WeakPolarHBondContact O-CB 3.21Å; L2284-S2288 PolarHBondContact O-N 3.36Å; L2284-S2288 PolarHBondContact O-OG 3.18Å; E2285-S2288 WeakPolarHBondContact CA-OG 3.4Å; E2285-S2288 CarbonylContact O-C 3.59Å; E2285-S2288 WeakPolarHBondContact O-CA 3.44Å; E2285-S2288 WeakPolarHBondContact O-CB 3.39Å; E2285-S2288 PolarHBondContact O-N 3.27Å; E2285-S2288 VanDerWaalsContact O-N 3.1Å; E2285-S2288 PolarHBondContact O-OG 3.23Å; I2286-S2288 VanDerWaalsContact C-N 3.33Å; I2286-S2288 PolarHBondContact O-N 3.04Å; S2288-T2290 VanDerWaalsContact C-N 3.33Å; S2288-T2290 PolarHBondContact O-N 3.32Å
2289T49.4Very low49.4Very low63 Ų6381.4 Ų81.439%0.38743%0.428SS..Hα-helixtrans-87.223.5173.152.60000112.4E2285 I2286 I2287 Q2294E2285-T2289 HydrophobicContact CG-CG2 4.38Å; E2285-T2289 VanDerWaalsContact O-CB 3.23Å; E2285-T2289 WeakPolarHBondContact O-CB 3.42Å; E2285-T2289 WeakPolarHBondContact O-CG2 3.31Å; E2285-T2289 PolarHBondContact O-N 3.2Å; E2285-T2289 VanDerWaalsContact O-N 3.07Å; E2285-T2289 PolarHBondContact O-OG1 3.15Å; I2286-T2289 WeakPolarHBondContact CA-OG1 3.32Å; I2286-T2289 CarbonylContact O-C 3.59Å; I2286-T2289 PolarHBondContact O-N 3.05Å; I2286-T2289 PolarHBondContact O-OG1 3.35Å; I2286-T2289 VanDerWaalsContact O-OG1 3.11Å; I2287-T2289 VanDerWaalsContact C-N 3.35Å; T2289-Q2294 PolarHBondContact O-OE1 2.88Å
2290T48.2Very low48.1Very low58 Ų5883.6 Ų83.636%0.35645%0.445SS..SBendtrans-73.9136.9168.2-3.10000109.9R1474 E2256 I2286 I2287 S2288 E2292 R2293R1474-T2290 PolarHBondContact NH2-OG1 3.42Å; E2256-T2290 HydrophobicContact CG-CG2 4.13Å; I2286-T2290 WeakPolarHBondContact O-CG2 3.42Å; I2286-T2290 PolarHBondContact O-N 2.88Å; I2286-T2290 VanDerWaalsContact O-N 3.13Å; I2286-T2290 PolarHBondContact O-OG1 3.01Å; I2287-T2290 WeakPolarHBondContact CA-OG1 3.49Å; I2287-T2290 PolarHBondContact O-OG1 3.05Å; I2287-T2290 VanDerWaalsContact O-OG1 3.1Å; S2288-T2290 VanDerWaalsContact C-N 3.33Å; S2288-T2290 PolarHBondContact O-N 3.32Å; T2290-E2292 VanDerWaalsContact C-N 3.32Å; T2290-E2292 PolarHBondContact O-N 3.17Å; T2290-R2293 PolarHBondContact O-N 3.42Å; T2290-R2293 VanDerWaalsContact O-N 3.16Å
2291P43.3Very low46.9Very low84 Ų8486.8 Ų86.855%0.54546%0.46SS..THydrogen-bonded Turntrans-76.9-2.9-149.426.4-32000115.5R2293 Q2294 L2295 L2331P2291-R2293 VanDerWaalsContact C-N 3.3Å; P2291-R2293 PolarHBondContact O-N 3.24Å; P2291-R2293 VanDerWaalsContact O-N 3.09Å; P2291-Q2294 HydrophobicContact CB-CB 4.48Å; P2291-Q2294 PolarHBondContact O-N 3.06Å; P2291-Q2294 VanDerWaalsContact O-N 3.13Å; P2291-L2295 PolarHBondContact O-N 3.29Å; P2291-L2331 HydrophobicContact CB-CD1 4.14Å
2292E42.7Very low45.8Very low135 Ų13588.7 Ų88.763%0.63147%0.466SS*.THydrogen-bonded Turntrans-63.9-22.1177.7-74.8-150.7149.900114.3Y1477 R1481 T2290Y1477-E2292 VanDerWaalsContact CE1-OE2 3.31Å; Y1477-E2292 WeakPolarHBondContact CE1-OE2 3.27Å; Y1477-E2292 PolarHBondContact OH-OE2 3.02Å; R1481-E2292 IonicContact CZ-OE1 2.84Å; R1481-E2292 VanDerWaalsContact CZ-OE1 3.24Å; R1481-E2292 IonicContact CZ-OE2 2.71Å; R1481-E2292 IonicContact NH1-OE1 3.75Å; R1481-E2292 PolarHBondContact NH1-OE1 3.17Å; R1481-E2292 IonicContact NH1-OE2 3.73Å; R1481-E2292 PolarHBondContact NH1-OE2 2.9Å; R1481-E2292 IonicContact NH2-OE1 2.9Å; R1481-E2292 PolarHBondContact NH2-OE1 3.39Å; R1481-E2292 IonicContact NH2-OE2 3.66Å; T2290-E2292 VanDerWaalsContact C-N 3.32Å; T2290-E2292 PolarHBondContact O-N 3.17Å
2293R36.6Very low44.8Very low183.2 Ų183.292.3 Ų92.369%0.69148%0.483SS*.SBendtrans-104.6-16.1180-123.2-176.9-173.2176.72.8115.2T2290 P2291 L2295 S2296T2290-R2293 PolarHBondContact O-N 3.42Å; T2290-R2293 VanDerWaalsContact O-N 3.16Å; P2291-R2293 VanDerWaalsContact C-N 3.3Å; P2291-R2293 PolarHBondContact O-N 3.24Å; P2291-R2293 VanDerWaalsContact O-N 3.09Å; R2293-L2295 VanDerWaalsContact C-N 3.32Å; R2293-L2295 PolarHBondContact O-N 3.09Å; R2293-L2295 VanDerWaalsContact O-N 3.15Å; R2293-S2296 WeakPolarHBondContact CG-OG 3.3Å; R2293-S2296 PolarHBondContact O-N 3.21Å; R2293-S2296 VanDerWaalsContact O-N 3.08Å; R2293-S2296 PolarHBondContact O-OG 3.23Å
2294Q34.2Very low43.6Very low93 Ų9398.2 Ų98.244%0.43551%0.508SS..Hα-helixtrans-67.7-26.7178.1-72-171.5-21.300112.1T2289 P2291 S2296 L2297 F2298T2289-Q2294 PolarHBondContact O-OE1 2.88Å; P2291-Q2294 HydrophobicContact CB-CB 4.48Å; P2291-Q2294 PolarHBondContact O-N 3.06Å; P2291-Q2294 VanDerWaalsContact O-N 3.13Å; Q2294-S2296 PolarHBondContact O-N 3.11Å; Q2294-S2296 VanDerWaalsContact O-N 3.13Å; Q2294-L2297 PolarHBondContact O-N 3.31Å; Q2294-L2297 VanDerWaalsContact O-N 3.16Å; Q2294-F2298 HydrophobicContact CB-CD2 3.98Å; Q2294-F2298 HydrophobicContact CB-CE2 4.29Å; Q2294-F2298 HydrophobicContact CB-CG 4.48Å; Q2294-F2298 HydrophobicContact CG-CD2 4.12Å; Q2294-F2298 HydrophobicContact CG-CE2 4.14Å; Q2294-F2298 VanDerWaalsContact NE2-CZ 3.33Å; Q2294-F2298 WeakPolarHBondContact O-CB 3.49Å; Q2294-F2298 WeakPolarHBondContact O-CD2 3.23Å; Q2294-F2298 PolarHBondContact O-N 2.95Å
2295L33.2Very low42.4Very low143.2 Ų143.2103.1 Ų103.175%0.7552%0.521SS*.THydrogen-bonded Turntrans-62.8-20.2174.2-15573.4000113.8P2291 R2293P2291-L2295 PolarHBondContact O-N 3.29Å; R2293-L2295 VanDerWaalsContact C-N 3.32Å; R2293-L2295 PolarHBondContact O-N 3.09Å; R2293-L2295 VanDerWaalsContact O-N 3.15Å
2296S33.7Very low41.4Very low74.8 Ų74.8103.3 Ų103.352%0.52353%0.525SS..THydrogen-bonded Turntrans-96.2-8.4178.466.50000114.9R2293 Q2294 I2303R2293-S2296 WeakPolarHBondContact CG-OG 3.3Å; R2293-S2296 PolarHBondContact O-N 3.21Å; R2293-S2296 VanDerWaalsContact O-N 3.08Å; R2293-S2296 PolarHBondContact O-OG 3.23Å; Q2294-S2296 PolarHBondContact O-N 3.11Å; Q2294-S2296 VanDerWaalsContact O-N 3.13Å; S2296-I2303 WeakPolarHBondContact O-CD1 3.48Å
2297L33Very low40.6Very low131 Ų131107.3 Ų107.369%0.68655%0.545SS*.THydrogen-bonded Turntrans-108.1-17.6-177.4-115147.2000113.8Q2294 N2299Q2294-L2297 PolarHBondContact O-N 3.31Å; Q2294-L2297 VanDerWaalsContact O-N 3.16Å; L2297-N2299 PolarHBondContact O-N 3.37Å
2298F33.5Very low39.8Very low138.4 Ų138.4110.9 Ų110.961%0.60756%0.56SS**SBendtrans-9243.9178.5-83.9-89.5000113.3L2259 Q2294 P2300 L2302 I2303L2259-F2298 HydrophobicContact CD1-CZ 4.34Å; Q2294-F2298 HydrophobicContact CB-CD2 3.98Å; Q2294-F2298 HydrophobicContact CB-CE2 4.29Å; Q2294-F2298 HydrophobicContact CB-CG 4.48Å; Q2294-F2298 HydrophobicContact CG-CD2 4.12Å; Q2294-F2298 HydrophobicContact CG-CE2 4.14Å; Q2294-F2298 VanDerWaalsContact NE2-CZ 3.33Å; Q2294-F2298 WeakPolarHBondContact O-CB 3.49Å; Q2294-F2298 WeakPolarHBondContact O-CD2 3.23Å; Q2294-F2298 PolarHBondContact O-N 2.95Å; F2298-P2300 WeakPolarHBondContact O-CD 3.45Å; F2298-L2302 HydrophobicContact CD1-CD2 3.87Å; F2298-L2302 HydrophobicContact CE1-CD2 4.05Å; F2298-I2303 HydrophobicContact CD1-CD1 3.65Å; F2298-I2303 HydrophobicContact CE1-CD1 4.04Å; F2298-I2303 HydrophobicContact CG-CD1 4.23Å
2299N35.1Very low39.2Very low79 Ų79113.3 Ų113.342%0.42257%0.568SS.*  trans-121.487.9169.1-119.6-21.1000113L2297 Q2301 L2302 I2303 F2552 V2553L2297-N2299 PolarHBondContact O-N 3.37Å; N2299-Q2301 VanDerWaalsContact C-N 3.26Å; N2299-Q2301 PolarHBondContact O-N 3.2Å; N2299-Q2301 VanDerWaalsContact O-N 3.12Å; N2299-Q2301 PolarHBondContact OD1-N 3.31Å; N2299-L2302 HydrophobicContact CB-CB 4.3Å; N2299-L2302 WeakPolarHBondContact ND2-CD1 3.4Å; N2299-L2302 WeakPolarHBondContact O-CB 3.13Å; N2299-L2302 PolarHBondContact O-N 3.19Å; N2299-L2302 WeakPolarHBondContact OD1-CB 3.27Å; N2299-I2303 HydrophobicContact CB-CD1 3.94Å; N2299-I2303 HydrophobicContact CB-CG1 4.37Å; N2299-I2303 PolarHBondContact O-N 3.15Å; N2299-F2552 PolarHBondContact OD1-O 3.17Å; N2299-V2553 WeakPolarHBondContact ND2-CG2 3.35Å; N2299-V2553 VanDerWaalsContact OD1-CG2 3.31Å; N2299-V2553 WeakPolarHBondContact OD1-CG2 3.21Å
2300P37.3Very low38.7Very low95.6 Ų95.6116.3 Ų116.362%0.62158%0.581SS**Hα-helixtrans-62.5-24.3178.93.3-2.4000113.8F2298 L2302 I2303 E2304 F2552F2298-P2300 WeakPolarHBondContact O-CD 3.45Å; P2300-L2302 VanDerWaalsContact C-N 3.27Å; P2300-L2302 PolarHBondContact O-N 2.9Å; P2300-I2303 WeakPolarHBondContact O-CB 3.4Å; P2300-I2303 PolarHBondContact O-N 3.04Å; P2300-I2303 VanDerWaalsContact O-N 3.1Å; P2300-E2304 PolarHBondContact O-N 2.89Å; P2300-F2552 HydrophobicContact CG-CD1 4.4Å
2301Q38.3Very low38.3Very low132.6 Ų132.6121.3 Ų121.362%0.6260%0.601SS**Hα-helixtrans-90.8-10-176.9-63.7-165.9-11.900115.4N2299 R2305 M2551 F2552N2299-Q2301 VanDerWaalsContact C-N 3.26Å; N2299-Q2301 PolarHBondContact O-N 3.2Å; N2299-Q2301 VanDerWaalsContact O-N 3.12Å; N2299-Q2301 PolarHBondContact OD1-N 3.31Å; Q2301-R2305 WeakPolarHBondContact O-CB 3.43Å; Q2301-R2305 WeakPolarHBondContact O-CD 3.11Å; Q2301-R2305 WeakPolarHBondContact O-CG 3.34Å; Q2301-R2305 PolarHBondContact O-N 2.7Å; Q2301-R2305 PolarHBondContact O-NH1 3.2Å; Q2301-M2551 PolarHBondContact OE1-O 2.92Å; Q2301-F2552 HydrophobicContact CG-CB 3.66Å
2302L40.2Very low38Very low94.4 Ų94.4126.7 Ų126.749%0.49462%0.615SS.*Hα-helixtrans-97.2-23177.7-133.1125.2000112F2298 N2299 P2300 N2306F2298-L2302 HydrophobicContact CD1-CD2 3.87Å; F2298-L2302 HydrophobicContact CE1-CD2 4.05Å; N2299-L2302 HydrophobicContact CB-CB 4.3Å; N2299-L2302 WeakPolarHBondContact ND2-CD1 3.4Å; N2299-L2302 WeakPolarHBondContact O-CB 3.13Å; N2299-L2302 PolarHBondContact O-N 3.19Å; N2299-L2302 WeakPolarHBondContact OD1-CB 3.27Å; P2300-L2302 VanDerWaalsContact C-N 3.27Å; P2300-L2302 PolarHBondContact O-N 2.9Å; L2302-N2306 WeakPolarHBondContact CD2-ND2 3.43Å; L2302-N2306 VanDerWaalsContact O-CB 3.26Å; L2302-N2306 WeakPolarHBondContact O-CB 3.39Å; L2302-N2306 VanDerWaalsContact O-CG 3.31Å; L2302-N2306 PolarHBondContact O-N 2.93Å; L2302-N2306 PolarHBondContact O-ND2 3.23Å
2303I41.9Very low37.7Very low79.4 Ų79.4131.4 Ų131.441%0.40763%0.627SS.*Hα-helixtrans-75-41178.5-65.7174.8000110.8S2296 F2298 N2299 P2300 R2305 N2306 I2307S2296-I2303 WeakPolarHBondContact O-CD1 3.48Å; F2298-I2303 HydrophobicContact CD1-CD1 3.65Å; F2298-I2303 HydrophobicContact CE1-CD1 4.04Å; F2298-I2303 HydrophobicContact CG-CD1 4.23Å; N2299-I2303 HydrophobicContact CB-CD1 3.94Å; N2299-I2303 HydrophobicContact CB-CG1 4.37Å; N2299-I2303 PolarHBondContact O-N 3.15Å; P2300-I2303 WeakPolarHBondContact O-CB 3.4Å; P2300-I2303 PolarHBondContact O-N 3.04Å; P2300-I2303 VanDerWaalsContact O-N 3.1Å; I2303-R2305 VanDerWaalsContact C-N 3.33Å; I2303-R2305 PolarHBondContact O-N 3.29Å; I2303-R2305 VanDerWaalsContact O-N 3.09Å; I2303-N2306 PolarHBondContact O-N 3.02Å; I2303-N2306 VanDerWaalsContact O-N 3.15Å; I2303-I2307 HydrophobicContact CG2-CD1 3.65Å; I2303-I2307 VanDerWaalsContact CG2-CD1 3.45Å; I2303-I2307 HydrophobicContact CG2-CG1 4.38Å; I2303-I2307 WeakPolarHBondContact O-CD1 3.38Å; I2303-I2307 WeakPolarHBondContact O-CG1 3.42Å; I2303-I2307 PolarHBondContact O-N 3.21Å
2304E40.2Very low37.6Very low146 Ų146126.8 Ų126.868%0.68262%0.624SS**Hα-helixtrans-63.4-33.1178.5-92.6178.6148.700113.4P2300 N2306 I2307 Q2308P2300-E2304 PolarHBondContact O-N 2.89Å; E2304-N2306 PolarHBondContact O-N 3.19Å; E2304-I2307 PolarHBondContact O-N 3.1Å; E2304-Q2308 WeakPolarHBondContact O-CG 3.32Å; E2304-Q2308 PolarHBondContact O-N 3.09Å
2305R37.5Very low37.6Very low176 Ų176129.6 Ų129.666%0.66464%0.641SS**Hα-helixtrans-77-28178.2-88-174.6174.9117.9-2.1114Q2301 I2303 N2309Q2301-R2305 WeakPolarHBondContact O-CB 3.43Å; Q2301-R2305 WeakPolarHBondContact O-CD 3.11Å; Q2301-R2305 WeakPolarHBondContact O-CG 3.34Å; Q2301-R2305 PolarHBondContact O-N 2.7Å; Q2301-R2305 PolarHBondContact O-NH1 3.2Å; I2303-R2305 VanDerWaalsContact C-N 3.33Å; I2303-R2305 PolarHBondContact O-N 3.29Å; I2303-R2305 VanDerWaalsContact O-N 3.09Å; R2305-N2309 VanDerWaalsContact O-CB 3.26Å; R2305-N2309 WeakPolarHBondContact O-CB 3.27Å; R2305-N2309 PolarHBondContact O-N 3.01Å; R2305-N2309 PolarHBondContact O-ND2 3.12Å
2306N39.2Very low37.8Very low93.6 Ų93.6130.3 Ų130.350%0.50165%0.646SS.*Hα-helixtrans-89.5-21-178.9-75.4-16.5000113.1L2302 I2303 E2304 Q2308 N2309 N2310L2302-N2306 WeakPolarHBondContact CD2-ND2 3.43Å; L2302-N2306 VanDerWaalsContact O-CB 3.26Å; L2302-N2306 WeakPolarHBondContact O-CB 3.39Å; L2302-N2306 VanDerWaalsContact O-CG 3.31Å; L2302-N2306 PolarHBondContact O-N 2.93Å; L2302-N2306 PolarHBondContact O-ND2 3.23Å; I2303-N2306 PolarHBondContact O-N 3.02Å; I2303-N2306 VanDerWaalsContact O-N 3.15Å; E2304-N2306 PolarHBondContact O-N 3.19Å; N2306-Q2308 PolarHBondContact O-N 3.29Å; N2306-N2309 PolarHBondContact O-N 3.31Å; N2306-N2310 VanDerWaalsContact O-CB 3.28Å; N2306-N2310 WeakPolarHBondContact O-CB 3.37Å; N2306-N2310 VanDerWaalsContact O-CG 3.23Å; N2306-N2310 PolarHBondContact O-N 3.15Å; N2306-N2310 VanDerWaalsContact O-N 3.09Å; N2306-N2310 PolarHBondContact O-ND2 3.17Å; N2306-N2310 VanDerWaalsContact O-ND2 3.15Å
2307I44Very low37.9Very low104.6 Ų104.6133.5 Ų133.554%0.53666%0.663SS.*Hα-helixtrans-69.6-38.4175.7-72.3171.7000111.4I2303 E2304 N2309 N2310 E2311I2303-I2307 HydrophobicContact CG2-CD1 3.65Å; I2303-I2307 VanDerWaalsContact CG2-CD1 3.45Å; I2303-I2307 HydrophobicContact CG2-CG1 4.38Å; I2303-I2307 WeakPolarHBondContact O-CD1 3.38Å; I2303-I2307 WeakPolarHBondContact O-CG1 3.42Å; I2303-I2307 PolarHBondContact O-N 3.21Å; E2304-I2307 PolarHBondContact O-N 3.1Å; I2307-N2309 VanDerWaalsContact C-N 3.28Å; I2307-N2309 PolarHBondContact O-N 3.03Å; I2307-N2309 VanDerWaalsContact O-N 3.17Å; I2307-N2310 CarbonylContact O-C 3.52Å; I2307-N2310 PolarHBondContact O-N 3.21Å; I2307-E2311 HydrophobicContact CG2-CG 4.2Å; I2307-E2311 WeakPolarHBondContact O-CG 3.44Å; I2307-E2311 PolarHBondContact O-N 3.27Å
2308Q40.5Very low37.9Very low155 Ų155134.6 Ų134.672%0.72467%0.666SS**Hα-helixtrans-72-18.4-179.9-74-173.4-20.300114.9E2304 N2306 K2312E2304-Q2308 WeakPolarHBondContact O-CG 3.32Å; E2304-Q2308 PolarHBondContact O-N 3.09Å; N2306-Q2308 PolarHBondContact O-N 3.29Å; Q2308-K2312 PolarHBondContact O-N 3.01Å
2309N41.1Very low37.9Very low119.6 Ų119.6133.1 Ų133.164%0.6467%0.665SS**Hα-helixtrans-97.3-13.4-175.7-77.6-34.6000114.7R2305 N2306 I2307R2305-N2309 VanDerWaalsContact O-CB 3.26Å; R2305-N2309 WeakPolarHBondContact O-CB 3.27Å; R2305-N2309 PolarHBondContact O-N 3.01Å; R2305-N2309 PolarHBondContact O-ND2 3.12Å; N2306-N2309 PolarHBondContact O-N 3.31Å; I2307-N2309 VanDerWaalsContact C-N 3.28Å; I2307-N2309 PolarHBondContact O-N 3.03Å; I2307-N2309 VanDerWaalsContact O-N 3.17Å
2310N39.4Very low37.9Very low125.6 Ų125.6133.6 Ų133.667%0.67267%0.672SS**Hα-helixtrans-104.4-2-177.3-82.5-25000114.2N2306 I2307 K2312 R2313 S2314N2306-N2310 VanDerWaalsContact O-CB 3.28Å; N2306-N2310 WeakPolarHBondContact O-CB 3.37Å; N2306-N2310 VanDerWaalsContact O-CG 3.23Å; N2306-N2310 PolarHBondContact O-N 3.15Å; N2306-N2310 VanDerWaalsContact O-N 3.09Å; N2306-N2310 PolarHBondContact O-ND2 3.17Å; N2306-N2310 VanDerWaalsContact O-ND2 3.15Å; I2307-N2310 CarbonylContact O-C 3.52Å; I2307-N2310 PolarHBondContact O-N 3.21Å; N2310-K2312 VanDerWaalsContact C-N 3.28Å; N2310-K2312 PolarHBondContact O-N 2.97Å; N2310-K2312 VanDerWaalsContact O-N 3.1Å; N2310-R2313 CarbonylContact O-C 3.58Å; N2310-R2313 WeakPolarHBondContact O-CA 3.36Å; N2310-R2313 PolarHBondContact O-N 3.05Å; N2310-S2314 PolarHBondContact O-N 3.04Å; N2310-S2314 PolarHBondContact O-OG 3.13Å
2311E38.5Very low37.8Very low163.8 Ų163.8138 Ų13877%0.76568%0.678SS**THydrogen-bonded Turntrans-70.36.3172.9-84.2-172.1135.700113.6I2307 R2313 S2314I2307-E2311 HydrophobicContact CG2-CG 4.2Å; I2307-E2311 WeakPolarHBondContact O-CG 3.44Å; I2307-E2311 PolarHBondContact O-N 3.27Å; E2311-R2313 VanDerWaalsContact C-N 3.29Å; E2311-R2313 PolarHBondContact O-N 3.42Å; E2311-S2314 PolarHBondContact O-OG 3.03Å
2312K38Very low37.8Very low196.2 Ų196.2137.2 Ų137.285%0.85368%0.677SS**THydrogen-bonded Turntrans-123.130.9174.2-84.8174.8-178.4169.90115.2Q2308 N2310Q2308-K2312 PolarHBondContact O-N 3.01Å; N2310-K2312 VanDerWaalsContact C-N 3.28Å; N2310-K2312 PolarHBondContact O-N 2.97Å; N2310-K2312 VanDerWaalsContact O-N 3.1Å
2313R36.7Very low37.6Very low233.8 Ų233.8138.3 Ų138.388%0.88268%0.682SS**  trans-156.257175.4-128.1171.8179.9170.9-0.9114.1N2310 E2311 N2315N2310-R2313 CarbonylContact O-C 3.58Å; N2310-R2313 WeakPolarHBondContact O-CA 3.36Å; N2310-R2313 PolarHBondContact O-N 3.05Å; E2311-R2313 VanDerWaalsContact C-N 3.29Å; E2311-R2313 PolarHBondContact O-N 3.42Å; R2313-N2315 PolarHBondContact O-N 3.1Å
2314S34.6Very low37.3Very low87.8 Ų87.8142.7 Ų142.761%0.61469%0.694SS**  trans-125.4110.9156.562.80000111.2N2310 E2311 D2316N2310-S2314 PolarHBondContact O-N 3.04Å; N2310-S2314 PolarHBondContact O-OG 3.13Å; E2311-S2314 PolarHBondContact O-OG 3.03Å; S2314-D2316 PolarHBondContact O-N 3.39Å
2315N32.8Very low37.1Very low150.4 Ų150.4140.9 Ų140.980%0.80469%0.689SS**  trans156.970.1163.8-70.2-4.8000112.6R2313R2313-N2315 PolarHBondContact O-N 3.1Å
2316D38.9Very low36.9Very low157.8 Ų157.8137 Ų13784%0.84468%0.681SS**  trans-145.6134.6147.5-92.9-36.5000110.3S2314 M2318S2314-D2316 PolarHBondContact O-N 3.39Å; D2316-M2318 VanDerWaalsContact C-N 3.33Å; D2316-M2318 PolarHBondContact O-N 3.23Å
2317T35Very low36.8Very low143.6 Ų143.6136.4 Ų136.488%0.88168%0.684SS**  trans-76.2100.9-171.7-32.20000113.6N2319T2317-N2319 PolarHBondContact O-N 3.02Å
2318M33.5Very low36.6Very low153.6 Ų153.6137.8 Ų137.876%0.75769%0.692SS**  trans-95.5132.7177.8-168.3167.4177.600112.9D2316 P2320 L2322 I2323D2316-M2318 VanDerWaalsContact C-N 3.33Å; D2316-M2318 PolarHBondContact O-N 3.23Å; M2318-P2320 HydrophobicContact CE-CB 3.81Å; M2318-P2320 HydrophobicContact CE-CG 4.12Å; M2318-L2322 HydrophobicContact CE-CD1 3.97Å; M2318-L2322 HydrophobicContact CE-CD2 4.23Å; M2318-I2323 HydrophobicContact CE-CD1 4.3Å; M2318-I2323 HydrophobicContact CE-CG1 4.02Å; M2318-I2323 HydrophobicContact CG-CD1 4.01Å; M2318-I2323 HydrophobicContact CG-CG1 4.15Å; M2318-I2323 HydrophobicContact SD-CD1 4.21Å; M2318-I2323 HydrophobicContact SD-CG1 4.49Å
2319N34.1Very low36.6Very low107 Ų107134.9 Ų134.957%0.57268%0.681SS**  trans-79.3126.2-174.8-116.4-33000113T2317 Y2321 L2322T2317-N2319 PolarHBondContact O-N 3.02Å; N2319-Y2321 VanDerWaalsContact C-N 3.25Å; N2319-Y2321 PolarHBondContact O-N 3.14Å; N2319-L2322 HydrophobicContact CB-CD1 4.35Å; N2319-L2322 PolarHBondContact O-N 3.37Å
2320P34.7Very low36.6Very low90 Ų90134.6 Ų134.658%0.58468%0.68SS**THydrogen-bonded Turntrans-7311.8-171.520.9-24.4000115.4M2318M2318-P2320 HydrophobicContact CE-CB 3.81Å; M2318-P2320 HydrophobicContact CE-CG 4.12Å
2321Y35.5Very low36.8Very low186.8 Ų186.8134.1 Ų134.173%0.73368%0.676SS**THydrogen-bonded Turntrans-100.5-12.1-178.6-70-82.1000113.8Y1883 N2319 I2323 R2324Y1883-Y2321 AromaticContact CE1-CD1 3.84Å; Y1883-Y2321 HydrophobicContact CE1-CD1 3.84Å; Y1883-Y2321 HydrophobicContact CE1-CE1 4.28Å; Y1883-Y2321 AromaticContact CZ-CD1 3.76Å; Y1883-Y2321 WeakPolarHBondContact OH-CD1 3.42Å; Y1883-Y2321 WeakPolarHBondContact OH-CE1 3.48Å; N2319-Y2321 VanDerWaalsContact C-N 3.25Å; N2319-Y2321 PolarHBondContact O-N 3.14Å; Y2321-I2323 PolarHBondContact O-N 2.95Å; Y2321-I2323 VanDerWaalsContact O-N 3.17Å; Y2321-R2324 WeakPolarHBondContact O-CB 3.48Å; Y2321-R2324 PolarHBondContact O-N 3.45Å; Y2321-R2324 VanDerWaalsContact O-N 3.14Å
2322L37.6Very low37Very low115.6 Ų115.6131.1 Ų131.161%0.60567%0.666SS**SBendtrans-93.4-6.3179.1-104140.5000114.1M2318 N2319 R2324 N2326M2318-L2322 HydrophobicContact CE-CD1 3.97Å; M2318-L2322 HydrophobicContact CE-CD2 4.23Å; N2319-L2322 HydrophobicContact CB-CD1 4.35Å; N2319-L2322 PolarHBondContact O-N 3.37Å; L2322-R2324 VanDerWaalsContact C-N 3.3Å; L2322-R2324 PolarHBondContact O-N 3.05Å; L2322-N2326 PolarHBondContact O-ND2 3.32Å
2323I36.9Very low37Very low117.6 Ų117.6127.3 Ų127.360%0.60366%0.655SS**Hα-helixtrans-86.6-5.2-177.8-55.1178.2000111.2M2318 Y2321 S2327M2318-I2323 HydrophobicContact CE-CD1 4.3Å; M2318-I2323 HydrophobicContact CE-CG1 4.02Å; M2318-I2323 HydrophobicContact CG-CD1 4.01Å; M2318-I2323 HydrophobicContact CG-CG1 4.15Å; M2318-I2323 HydrophobicContact SD-CD1 4.21Å; M2318-I2323 HydrophobicContact SD-CG1 4.49Å; Y2321-I2323 PolarHBondContact O-N 2.95Å; Y2321-I2323 VanDerWaalsContact O-N 3.17Å; I2323-S2327 WeakPolarHBondContact O-CB 3.24Å; I2323-S2327 PolarHBondContact O-N 3.2Å; I2323-S2327 VanDerWaalsContact O-N 3.15Å; I2323-S2327 PolarHBondContact O-OG 3.02Å
2324R35Very low37.2Very low172.2 Ų172.2122.6 Ų122.665%0.6565%0.647SS**Hα-helixtrans-90.5-23.5-173.8-160.6175.4-168.5164.77.2114.8F1881 Y2321 L2322F1881-R2324 VanDerWaalsContact CD1-NH1 3.27Å; F1881-R2324 VanDerWaalsContact CD2-NH2 3.3Å; F1881-R2324 VanDerWaalsContact CZ-NH2 3.34Å; Y2321-R2324 WeakPolarHBondContact O-CB 3.48Å; Y2321-R2324 PolarHBondContact O-N 3.45Å; Y2321-R2324 VanDerWaalsContact O-N 3.14Å; L2322-R2324 VanDerWaalsContact C-N 3.3Å; L2322-R2324 PolarHBondContact O-N 3.05Å
2325D35.3Very low37.6Very low109 Ų109122 Ų12258%0.58364%0.64SS**SBendtrans-95-23.3-175.5-60.6-34000111.9S2327 L2328D2325-S2327 PolarHBondContact O-N 2.94Å; D2325-L2328 WeakPolarHBondContact O-CB 3.41Å; D2325-L2328 PolarHBondContact O-N 3.31Å
2326N33.4Very low38.2Very low94.2 Ų94.2118.4 Ų118.450%0.50462%0.624SS.*Hα-helixtrans-78.3-7.7176-68.412.2000113.4K1894 L2322 L2328 D2329 D2330K1894-N2326 PolarHBondContact NZ-OD1 2.92Å; L2322-N2326 PolarHBondContact O-ND2 3.32Å; N2326-L2328 VanDerWaalsContact C-N 3.25Å; N2326-L2328 PolarHBondContact O-N 3.09Å; N2326-L2328 VanDerWaalsContact O-N 3.07Å; N2326-D2329 PolarHBondContact ND2-OD2 3.41Å; N2326-D2329 PolarHBondContact O-N 3.07Å; N2326-D2330 WeakPolarHBondContact O-CB 3.3Å; N2326-D2330 PolarHBondContact O-N 2.91Å
2327S37.3Very low38.5Very low79.8 Ų79.8116.5 Ų116.556%0.55862%0.619SS**THydrogen-bonded Turntrans-79.91.3-177.2121.90000114.6I2323 D2325 L2331I2323-S2327 WeakPolarHBondContact O-CB 3.24Å; I2323-S2327 PolarHBondContact O-N 3.2Å; I2323-S2327 VanDerWaalsContact O-N 3.15Å; I2323-S2327 PolarHBondContact O-OG 3.02Å; D2325-S2327 PolarHBondContact O-N 2.94Å; S2327-L2331 WeakPolarHBondContact O-CD1 3.43Å
2328L40.5Very low39.3Very low133.6 Ų133.6113.7 Ų113.770%0.69960%0.601SS**THydrogen-bonded Turntrans-96-34177-151.782.3000112D2325 N2326 L2331D2325-L2328 WeakPolarHBondContact O-CB 3.41Å; D2325-L2328 PolarHBondContact O-N 3.31Å; N2326-L2328 VanDerWaalsContact C-N 3.25Å; N2326-L2328 PolarHBondContact O-N 3.09Å; N2326-L2328 VanDerWaalsContact O-N 3.07Å; L2328-L2331 WeakPolarHBondContact O-CB 3.26Å
2329D39.9Very low40.2Very low94.6 Ų94.6108.7 Ų108.751%0.50658%0.578SS.*THydrogen-bonded Turntrans-84.3-29.3-175.1-61.7-42.5000112.5N2326 L2331 D2332N2326-D2329 PolarHBondContact ND2-OD2 3.41Å; N2326-D2329 PolarHBondContact O-N 3.07Å; D2329-L2331 VanDerWaalsContact C-N 3.25Å; D2329-L2331 PolarHBondContact O-N 3.22Å; D2329-D2332 PolarHBondContact O-N 3.13Å
2330D41.8Very low41.1Very low113.2 Ų113.2108.5 Ų108.561%0.60558%0.576SS**THydrogen-bonded Turntrans-69.3-10174.5-99.3-26.2000114N2326 D2332N2326-D2330 WeakPolarHBondContact O-CB 3.3Å; N2326-D2330 PolarHBondContact O-N 2.91Å; D2330-D2332 VanDerWaalsContact C-N 3.29Å; D2330-D2332 PolarHBondContact O-N 2.64Å
2331L42.8Very low42.2Very low114.6 Ų114.6109 Ų10960%0.657%0.571SS**THydrogen-bonded Turntrans-81.7-29.6178.5-129.795.9000113.2P2291 S2327 L2328 D2329 N2333 N2334 T2335P2291-L2331 HydrophobicContact CB-CD1 4.14Å; S2327-L2331 WeakPolarHBondContact O-CD1 3.43Å; L2328-L2331 WeakPolarHBondContact O-CB 3.26Å; D2329-L2331 VanDerWaalsContact C-N 3.25Å; D2329-L2331 PolarHBondContact O-N 3.22Å; L2331-N2333 VanDerWaalsContact C-N 3.3Å; L2331-N2333 PolarHBondContact O-N 3.18Å; L2331-N2333 VanDerWaalsContact O-N 3.1Å; L2331-N2334 PolarHBondContact O-N 3.25Å; L2331-T2335 HydrophobicContact CG-CG2 4.41Å; L2331-T2335 PolarHBondContact O-N 3.21Å; L2331-T2335 PolarHBondContact O-OG1 3.3Å; L2331-T2335 VanDerWaalsContact O-OG1 3.11Å
2332D43.1Very low43.2Very low101.6 Ų101.6102.5 Ų102.554%0.54355%0.549SS..G310 helixtrans-76.3-15.2-178.4-105.2-12.5000112.4R2248 D2329 D2330 N2334 T2335 P2336R2248-D2332 IonicContact CZ-OD1 3.65Å; R2248-D2332 IonicContact CZ-OD2 3.13Å; R2248-D2332 IonicContact NH1-OD2 2.87Å; R2248-D2332 VanDerWaalsContact NH2-CG 3.26Å; R2248-D2332 IonicContact NH2-OD1 3Å; R2248-D2332 PolarHBondContact NH2-OD1 3.24Å; R2248-D2332 IonicContact NH2-OD2 3.18Å; R2248-D2332 PolarHBondContact NH2-OD2 3.08Å; D2329-D2332 PolarHBondContact O-N 3.13Å; D2330-D2332 VanDerWaalsContact C-N 3.29Å; D2330-D2332 PolarHBondContact O-N 2.64Å; D2332-N2334 PolarHBondContact O-N 3.27Å; D2332-T2335 HydrophobicContact CB-CG2 4.48Å; D2332-T2335 WeakPolarHBondContact O-CB 3.4Å; D2332-T2335 VanDerWaalsContact O-CG2 3.29Å; D2332-T2335 WeakPolarHBondContact O-CG2 3.31Å; D2332-T2335 PolarHBondContact O-N 3.1Å; D2332-T2335 PolarHBondContact O-OG1 2.69Å; D2332-T2335 WeakPolarHBondContact OD1-CG2 3.26Å; D2332-P2336 VanDerWaalsContact O-CD 3.24Å; D2332-P2336 WeakPolarHBondContact O-CD 3.06Å; D2332-P2336 VanDerWaalsContact O-CG 3.25Å; D2332-P2336 WeakPolarHBondContact O-CG 3.33Å
2333N38.4Very low44.2Very low116 Ų116100.7 Ų100.762%0.6254%0.537SS*.G310 helixtrans-81.1-12.3178.3-79.1-40.7000115.1L2331L2331-N2333 VanDerWaalsContact C-N 3.3Å; L2331-N2333 PolarHBondContact O-N 3.18Å; L2331-N2333 VanDerWaalsContact O-N 3.1Å
2334N40.3Very low45.2Very low136.6 Ų136.6100.2 Ų100.273%0.7353%0.532SS*.G310 helixtrans-118.129.6-178-74-69.1000113L2331 D2332 P2336L2331-N2334 PolarHBondContact O-N 3.25Å; D2332-N2334 PolarHBondContact O-N 3.27Å; N2334-P2336 VanDerWaalsContact C-CD 3.41Å; N2334-P2336 WeakPolarHBondContact O-CD 3.37Å
2335T43.8Very low46.4Very low73.6 Ų73.698.9 Ų98.945%0.45253%0.527SS..  trans-68.6114.2174.747.40000112.9L2331 D2332 V2337 T2338L2331-T2335 HydrophobicContact CG-CG2 4.41Å; L2331-T2335 PolarHBondContact O-N 3.21Å; L2331-T2335 PolarHBondContact O-OG1 3.3Å; L2331-T2335 VanDerWaalsContact O-OG1 3.11Å; D2332-T2335 HydrophobicContact CB-CG2 4.48Å; D2332-T2335 WeakPolarHBondContact O-CB 3.4Å; D2332-T2335 VanDerWaalsContact O-CG2 3.29Å; D2332-T2335 WeakPolarHBondContact O-CG2 3.31Å; D2332-T2335 PolarHBondContact O-N 3.1Å; D2332-T2335 PolarHBondContact O-OG1 2.69Å; D2332-T2335 WeakPolarHBondContact OD1-CG2 3.26Å; T2335-V2337 VanDerWaalsContact C-N 3.3Å; T2335-V2337 PolarHBondContact O-N 3.31Å; T2335-T2338 PolarHBondContact O-OG1 3.48Å; T2335-T2338 VanDerWaalsContact O-OG1 3.12Å
2336P43.9Very low47.8Very low74.4 Ų74.496 Ų9648%0.48351%0.51SS..  trans-68.9131.5179.328.4-34.1000111D2332 N2334 T2338 D2339 L2340D2332-P2336 VanDerWaalsContact O-CD 3.24Å; D2332-P2336 WeakPolarHBondContact O-CD 3.06Å; D2332-P2336 VanDerWaalsContact O-CG 3.25Å; D2332-P2336 WeakPolarHBondContact O-CG 3.33Å; N2334-P2336 VanDerWaalsContact C-CD 3.41Å; N2334-P2336 WeakPolarHBondContact O-CD 3.37Å; P2336-T2338 PolarHBondContact O-N 3.2Å; P2336-T2338 PolarHBondContact O-OG1 2.97Å; P2336-D2339 HydrophobicContact CG-CB 4.33Å; P2336-D2339 WeakPolarHBondContact O-CB 3.03Å; P2336-D2339 PolarHBondContact O-N 3.2Å; P2336-L2340 WeakPolarHBondContact O-CB 3.47Å; P2336-L2340 PolarHBondContact O-N 3.05Å
2337V45.1Very low49.1Very low119.2 Ų119.295.1 Ų95.172%0.72250%0.502SS*.THydrogen-bonded Turntrans-48.8-30.8-173.4-178.90000114.4T2335 D2339 L2340 Q2341T2335-V2337 VanDerWaalsContact C-N 3.3Å; T2335-V2337 PolarHBondContact O-N 3.31Å; V2337-D2339 VanDerWaalsContact C-N 3.33Å; V2337-D2339 PolarHBondContact O-N 3.32Å; V2337-L2340 PolarHBondContact O-N 3.22Å; V2337-Q2341 VanDerWaalsContact O-CB 3.23Å; V2337-Q2341 WeakPolarHBondContact O-CB 3.32Å; V2337-Q2341 PolarHBondContact O-N 3.02Å
2338T52.6Low50.4Low84.6 Ų84.693.9 Ų93.952%0.51950%0.496SS..Hα-helixtrans-64-34.7173.540.50000114.4T2335 P2336 Q2341 D2342T2335-T2338 PolarHBondContact O-OG1 3.48Å; T2335-T2338 VanDerWaalsContact O-OG1 3.12Å; P2336-T2338 PolarHBondContact O-N 3.2Å; P2336-T2338 PolarHBondContact O-OG1 2.97Å; T2338-Q2341 PolarHBondContact O-N 2.87Å; T2338-D2342 WeakPolarHBondContact O-CB 3.45Å; T2338-D2342 PolarHBondContact O-N 3Å; T2338-D2342 VanDerWaalsContact O-N 3.17Å
2339D51.3Low51.7Low49.2 Ų49.292 Ų9226%0.26348%0.483SS..Hα-helixtrans-72.3-37.6-178.1-1045.1000112Q2255 R2262 P2336 V2337 Q2341 D2342 H2343Q2255-D2339 PolarHBondContact NE2-OD1 3.38Å; Q2255-D2339 PolarHBondContact NE2-OD2 3.07Å; R2262-D2339 IonicContact CZ-OD1 3.41Å; R2262-D2339 IonicContact CZ-OD2 3.66Å; R2262-D2339 IonicContact NH1-OD1 2.75Å; R2262-D2339 PolarHBondContact NH1-OD1 2.83Å; R2262-D2339 IonicContact NH1-OD2 2.67Å; R2262-D2339 PolarHBondContact NH1-OD2 3.23Å; R2262-D2339 IonicContact NH2-OD1 3.11Å; R2262-D2339 PolarHBondContact NH2-OD1 3.39Å; R2262-D2339 IonicContact NH2-OD2 2.63Å; P2336-D2339 HydrophobicContact CG-CB 4.33Å; P2336-D2339 WeakPolarHBondContact O-CB 3.03Å; P2336-D2339 PolarHBondContact O-N 3.2Å; V2337-D2339 VanDerWaalsContact C-N 3.33Å; V2337-D2339 PolarHBondContact O-N 3.32Å; D2339-Q2341 VanDerWaalsContact C-N 3.29Å; D2339-Q2341 PolarHBondContact O-N 3.05Å; D2339-D2342 PolarHBondContact O-N 3.44Å; D2339-H2343 WeakPolarHBondContact O-CB 3.44Å; D2339-H2343 PolarHBondContact O-N 3.03Å
2340L54.9Low52.9Low102 Ų10291.2 Ų91.253%0.53447%0.472SS..Hα-helixtrans-61.9-45.9175.8-158.674.7000110.9P2336 V2337 D2342 H2343 E2344P2336-L2340 WeakPolarHBondContact O-CB 3.47Å; P2336-L2340 PolarHBondContact O-N 3.05Å; V2337-L2340 PolarHBondContact O-N 3.22Å; L2340-D2342 PolarHBondContact O-N 3.04Å; L2340-H2343 CarbonylContact O-C 3.57Å; L2340-H2343 PolarHBondContact O-N 3.05Å; L2340-H2343 VanDerWaalsContact O-N 3.11Å; L2340-E2344 WeakPolarHBondContact O-CB 3.42Å; L2340-E2344 VanDerWaalsContact O-CG 3.3Å; L2340-E2344 WeakPolarHBondContact O-CG 3.47Å; L2340-E2344 PolarHBondContact O-N 3.11Å
2341Q56.7Low54.1Low101.6 Ų101.692.9 Ų92.948%0.47548%0.477SS..Hα-helixtrans-64.8-37.4179-120.1177.520.900113.2V2337 T2338 D2339 H2343 E2344 R2345V2337-Q2341 VanDerWaalsContact O-CB 3.23Å; V2337-Q2341 WeakPolarHBondContact O-CB 3.32Å; V2337-Q2341 PolarHBondContact O-N 3.02Å; T2338-Q2341 PolarHBondContact O-N 2.87Å; D2339-Q2341 VanDerWaalsContact C-N 3.29Å; D2339-Q2341 PolarHBondContact O-N 3.05Å; Q2341-H2343 VanDerWaalsContact C-N 3.33Å; Q2341-E2344 PolarHBondContact O-N 3.38Å; Q2341-R2345 WeakPolarHBondContact O-CB 3.31Å; Q2341-R2345 VanDerWaalsContact O-CD 3.26Å; Q2341-R2345 WeakPolarHBondContact O-CD 3.36Å; Q2341-R2345 VanDerWaalsContact O-CG 3.27Å; Q2341-R2345 WeakPolarHBondContact O-CG 3.37Å; Q2341-R2345 PolarHBondContact O-N 3.15Å
2342D55.9Low55.3Low50.2 Ų50.291.8 Ų91.827%0.26848%0.478SS..Hα-helixtrans-72.7-32.2174.8-93.33.9000111.5R2258 R2262 T2338 D2339 L2340 R2345 E2346R2258-D2342 IonicContact CZ-OD2 3.47Å; R2258-D2342 IonicContact NH1-OD2 3.4Å; R2258-D2342 PolarHBondContact NH1-OD2 3.08Å; R2258-D2342 IonicContact NH2-OD2 3.1Å; R2258-D2342 PolarHBondContact NH2-OD2 3.09Å; R2262-D2342 IonicContact NH2-OD2 3.38Å; T2338-D2342 WeakPolarHBondContact O-CB 3.45Å; T2338-D2342 PolarHBondContact O-N 3Å; T2338-D2342 VanDerWaalsContact O-N 3.17Å; D2339-D2342 PolarHBondContact O-N 3.44Å; L2340-D2342 PolarHBondContact O-N 3.04Å; D2342-R2345 PolarHBondContact O-N 3.09Å; D2342-R2345 WeakPolarHBondContact OD1-CD 3.38Å; D2342-R2345 IonicContact OD1-CZ 2.77Å; D2342-R2345 IonicContact OD1-NE 2.96Å; D2342-R2345 IonicContact OD1-NH1 3.27Å; D2342-R2345 PolarHBondContact OD1-NH1 3.13Å; D2342-E2346 WeakPolarHBondContact O-CB 3.47Å; D2342-E2346 PolarHBondContact O-N 3.36Å; D2342-E2346 VanDerWaalsContact O-N 3.16Å
2343H58.8Low56.8Low76.2 Ų76.291.5 Ų91.535%0.35347%0.47SS..Hα-helixtrans-70.9-40.4173.5-125.5-35.4000113D1901 R2251 R2258 D2339 L2340 Q2341 R2345 E2346 K2347D1901-H2343 IonicContact OD2-CE1 3.28Å; R2251-H2343 PolarHBondContact NH1-CE1 3.22Å; R2251-H2343 VanDerWaalsContact NH1-CE1 3.3Å; R2258-H2343 PolarHBondContact NH1-CE1 3.36Å; R2258-H2343 PolarHBondContact NH1-NE2 2.89Å; D2339-H2343 WeakPolarHBondContact O-CB 3.44Å; D2339-H2343 PolarHBondContact O-N 3.03Å; L2340-H2343 CarbonylContact O-C 3.57Å; L2340-H2343 PolarHBondContact O-N 3.05Å; L2340-H2343 VanDerWaalsContact O-N 3.11Å; Q2341-H2343 VanDerWaalsContact C-N 3.33Å; H2343-R2345 VanDerWaalsContact C-N 3.31Å; H2343-R2345 PolarHBondContact O-N 2.87Å; H2343-E2346 IonicContact CE1-OE2 3.24Å; H2343-E2346 PolarHBondContact CE1-OE2 3.46Å; H2343-E2346 IonicContact ND1-OE2 3.44Å; H2343-E2346 PolarHBondContact ND1-OE2 2.86Å; H2343-E2346 CarbonylContact O-C 3.57Å; H2343-E2346 PolarHBondContact O-N 3.17Å; H2343-E2346 VanDerWaalsContact O-N 3.13Å; H2343-K2347 VanDerWaalsContact O-CG 3.29Å; H2343-K2347 WeakPolarHBondContact O-CG 3.31Å; H2343-K2347 PolarHBondContact O-N 3.06Å
2344E59.1Low58.9Low108.6 Ų108.689.8 Ų89.851%0.50747%0.467SS..Hα-helixtrans-61.5-44171.8-74.9178.6158.400111.7L2340 Q2341 E2346 K2347 A2348L2340-E2344 WeakPolarHBondContact O-CB 3.42Å; L2340-E2344 VanDerWaalsContact O-CG 3.3Å; L2340-E2344 WeakPolarHBondContact O-CG 3.47Å; L2340-E2344 PolarHBondContact O-N 3.11Å; Q2341-E2344 PolarHBondContact O-N 3.38Å; E2344-E2346 VanDerWaalsContact C-N 3.31Å; E2344-E2346 PolarHBondContact O-N 3.09Å; E2344-K2347 WeakPolarHBondContact O-CB 3.43Å; E2344-K2347 PolarHBondContact O-N 3.18Å; E2344-K2347 VanDerWaalsContact O-N 3.09Å; E2344-A2348 WeakPolarHBondContact O-CB 3.41Å; E2344-A2348 PolarHBondContact O-N 2.96Å
2345R59.7Low60.8Low145 Ų14588.6 Ų88.655%0.54745%0.453SS..Hα-helixtrans-60.3-40.3173.6-89169.5-178.9165.41.3111.7S1928 Q2341 D2342 H2343 K2347 A2348 F2349S1928-R2345 PolarHBondContact OG-NH2 3.16Å; Q2341-R2345 WeakPolarHBondContact O-CB 3.31Å; Q2341-R2345 VanDerWaalsContact O-CD 3.26Å; Q2341-R2345 WeakPolarHBondContact O-CD 3.36Å; Q2341-R2345 VanDerWaalsContact O-CG 3.27Å; Q2341-R2345 WeakPolarHBondContact O-CG 3.37Å; Q2341-R2345 PolarHBondContact O-N 3.15Å; D2342-R2345 PolarHBondContact O-N 3.09Å; D2342-R2345 WeakPolarHBondContact OD1-CD 3.38Å; D2342-R2345 IonicContact OD1-CZ 2.77Å; D2342-R2345 IonicContact OD1-NE 2.96Å; D2342-R2345 IonicContact OD1-NH1 3.27Å; D2342-R2345 PolarHBondContact OD1-NH1 3.13Å; H2343-R2345 VanDerWaalsContact C-N 3.31Å; H2343-R2345 PolarHBondContact O-N 2.87Å; R2345-K2347 VanDerWaalsContact C-N 3.34Å; R2345-K2347 PolarHBondContact O-N 2.92Å; R2345-A2348 PolarHBondContact O-N 3.02Å; R2345-F2349 VanDerWaalsContact O-CB 3.22Å; R2345-F2349 WeakPolarHBondContact O-CB 3.31Å; R2345-F2349 PolarHBondContact O-N 3.31Å
2346E63.5Low62.7Low47.6 Ų47.687.5 Ų87.522%0.22246%0.457CS..Hα-helixtrans-68.7-37.5174.9-156.6-167.8158.100112.2R2251 R2258 D2342 H2343 E2344 F2349 R2350R2251-E2346 IonicContact CZ-OE2 3.47Å; R2251-E2346 VanDerWaalsContact CZ-OE2 3.27Å; R2251-E2346 IonicContact NE-OE2 3.17Å; R2251-E2346 PolarHBondContact NE-OE2 2.92Å; R2251-E2346 VanDerWaalsContact NH2-CD 3.27Å; R2251-E2346 IonicContact NH2-OE1 3.25Å; R2251-E2346 PolarHBondContact NH2-OE1 3.1Å; R2251-E2346 VanDerWaalsContact NH2-OE1 3.16Å; R2251-E2346 IonicContact NH2-OE2 3.41Å; R2251-E2346 PolarHBondContact NH2-OE2 2.95Å; R2258-E2346 IonicContact CZ-OE1 3.75Å; R2258-E2346 IonicContact CZ-OE2 2.72Å; R2258-E2346 IonicContact NH1-OE1 3.87Å; R2258-E2346 IonicContact NH1-OE2 2.7Å; R2258-E2346 PolarHBondContact NH1-OE2 2.97Å; R2258-E2346 IonicContact NH2-OE1 2.8Å; R2258-E2346 PolarHBondContact NH2-OE1 3.31Å; R2258-E2346 IonicContact NH2-OE2 3.61Å; R2258-E2346 PolarHBondContact NH2-OE2 2.85Å; D2342-E2346 WeakPolarHBondContact O-CB 3.47Å; D2342-E2346 PolarHBondContact O-N 3.36Å; D2342-E2346 VanDerWaalsContact O-N 3.16Å; H2343-E2346 IonicContact CE1-OE2 3.24Å; H2343-E2346 PolarHBondContact CE1-OE2 3.46Å; H2343-E2346 IonicContact ND1-OE2 3.44Å; H2343-E2346 PolarHBondContact ND1-OE2 2.86Å; H2343-E2346 CarbonylContact O-C 3.57Å; H2343-E2346 PolarHBondContact O-N 3.17Å; H2343-E2346 VanDerWaalsContact O-N 3.13Å; E2344-E2346 VanDerWaalsContact C-N 3.31Å; E2344-E2346 PolarHBondContact O-N 3.09Å; E2346-F2349 PolarHBondContact O-N 3.19Å; E2346-R2350 VanDerWaalsContact CD-NH2 3.3Å; E2346-R2350 VanDerWaalsContact CG-NH2 3.29Å; E2346-R2350 WeakPolarHBondContact O-CB 3.3Å; E2346-R2350 WeakPolarHBondContact O-CD 3.37Å; E2346-R2350 VanDerWaalsContact O-CG 3.27Å; E2346-R2350 WeakPolarHBondContact O-CG 3.32Å; E2346-R2350 VanDerWaalsContact O-CZ 3.28Å; E2346-R2350 PolarHBondContact O-N 3.07Å; E2346-R2350 PolarHBondContact O-NE 3.03Å; E2346-R2350 PolarHBondContact O-NH2 3.45Å; E2346-R2350 IonicContact OE1-CZ 2.76Å; E2346-R2350 VanDerWaalsContact OE1-CZ 3.3Å; E2346-R2350 IonicContact OE1-NE 3.21Å; E2346-R2350 PolarHBondContact OE1-NE 2.94Å; E2346-R2350 IonicContact OE1-NH1 2.71Å; E2346-R2350 PolarHBondContact OE1-NH1 3.14Å; E2346-R2350 IonicContact OE1-NH2 3.26Å; E2346-R2350 PolarHBondContact OE1-NH2 3.06Å; E2346-R2350 IonicContact OE2-CZ 3.57Å; E2346-R2350 IonicContact OE2-NE 3.6Å; E2346-R2350 IonicContact OE2-NH1 2.63Å; E2346-R2350 PolarHBondContact OE2-NH1 2.56Å; E2346-R2350 IonicContact OE2-NH2 3.24Å; E2346-R2350 PolarHBondContact OE2-NH2 3.45Å
2347K61.8Low64.7Low75.8 Ų75.887.2 Ų87.233%0.3345%0.448SS..Hα-helixtrans-62.4-51.6173.7-73.7174.3-179.4-175.80110.7D1900 H2343 E2344 R2345 F2349 R2350 Q2351D1900-K2347 HydrophobicContact CB-CD 3.81Å; D1900-K2347 VanDerWaalsContact CB-CE 3.44Å; D1900-K2347 HydrophobicContact CB-CG 4.48Å; D1900-K2347 VanDerWaalsContact CB-NZ 3.33Å; D1900-K2347 WeakPolarHBondContact OD1-CE 3.46Å; D1900-K2347 IonicContact OD1-NZ 2.75Å; D1900-K2347 PolarHBondContact OD1-NZ 2.69Å; D1900-K2347 WeakPolarHBondContact OD2-CD 3.46Å; D1900-K2347 WeakPolarHBondContact OD2-CE 3.41Å; D1900-K2347 IonicContact OD2-NZ 3.32Å; D1900-K2347 PolarHBondContact OD2-NZ 3.25Å; H2343-K2347 VanDerWaalsContact O-CG 3.29Å; H2343-K2347 WeakPolarHBondContact O-CG 3.31Å; H2343-K2347 PolarHBondContact O-N 3.06Å; E2344-K2347 WeakPolarHBondContact O-CB 3.43Å; E2344-K2347 PolarHBondContact O-N 3.18Å; E2344-K2347 VanDerWaalsContact O-N 3.09Å; R2345-K2347 VanDerWaalsContact C-N 3.34Å; R2345-K2347 PolarHBondContact O-N 2.92Å; K2347-F2349 VanDerWaalsContact C-N 3.31Å; K2347-F2349 PolarHBondContact O-N 3.13Å; K2347-R2350 WeakPolarHBondContact O-CA 3.46Å; K2347-R2350 WeakPolarHBondContact O-CB 3.25Å; K2347-R2350 PolarHBondContact O-N 3.31Å; K2347-R2350 VanDerWaalsContact O-N 3.13Å; K2347-Q2351 WeakPolarHBondContact O-CB 3.34Å; K2347-Q2351 VanDerWaalsContact O-CG 3.32Å; K2347-Q2351 WeakPolarHBondContact O-CG 3.44Å; K2347-Q2351 PolarHBondContact O-N 3.04Å; K2347-Q2351 VanDerWaalsContact O-N 3.08Å
2348A64.1Low66.6Low53.4 Ų53.483.4 Ų83.444%0.44142%0.423SS..Hα-helixtrans-61.3-41.3177.800000112.7E2344 R2345 R2350 Q2351 S2352E2344-A2348 WeakPolarHBondContact O-CB 3.41Å; E2344-A2348 PolarHBondContact O-N 2.96Å; R2345-A2348 PolarHBondContact O-N 3.02Å; A2348-R2350 VanDerWaalsContact C-N 3.29Å; A2348-R2350 PolarHBondContact O-N 3.08Å; A2348-Q2351 PolarHBondContact O-N 3.14Å; A2348-S2352 WeakPolarHBondContact O-CB 3.44Å; A2348-S2352 PolarHBondContact O-N 3.1Å; A2348-S2352 VanDerWaalsContact O-N 3.13Å; A2348-S2352 PolarHBondContact O-OG 3.12Å
2349F68Low68.2Low94.8 Ų94.881.5 Ų81.542%0.41641%0.41SS..Hα-helixtrans-68.9-25.2176.4-176.6-101.7000113.5R2345 E2346 K2347 S2352 R2353 F2357 I2361R2345-F2349 VanDerWaalsContact O-CB 3.22Å; R2345-F2349 WeakPolarHBondContact O-CB 3.31Å; R2345-F2349 PolarHBondContact O-N 3.31Å; E2346-F2349 PolarHBondContact O-N 3.19Å; K2347-F2349 VanDerWaalsContact C-N 3.31Å; K2347-F2349 PolarHBondContact O-N 3.13Å; F2349-S2352 WeakPolarHBondContact CA-OG 3.39Å; F2349-S2352 PolarHBondContact O-OG 3.04Å; F2349-S2352 VanDerWaalsContact O-OG 3.08Å; F2349-R2353 VanDerWaalsContact CZ-NE 3.33Å; F2349-R2353 VanDerWaalsContact CZ-NH1 3.29Å; F2349-R2353 VanDerWaalsContact CZ-NH2 3.33Å; F2349-R2353 VanDerWaalsContact O-CD 3.26Å; F2349-R2353 WeakPolarHBondContact O-CD 3.45Å; F2349-R2353 VanDerWaalsContact O-CG 3.28Å; F2349-R2353 WeakPolarHBondContact O-CG 3.35Å; F2349-F2357 HydrophobicContact CE1-CE1 4.49Å; F2349-I2361 HydrophobicContact CE1-CD1 4.4Å
2350R65.4Low70Confident76.2 Ų76.284.8 Ų84.829%0.28843%0.427SS..Hα-helixtrans-78.1-39.7172-76.6171.9-168.2-107.4-0.5111.7R2247 E2346 K2347 A2348 S2352 R2353 L2358R2247-R2350 VanDerWaalsContact NH1-NH2 3.14Å; E2346-R2350 VanDerWaalsContact CD-NH2 3.3Å; E2346-R2350 VanDerWaalsContact CG-NH2 3.29Å; E2346-R2350 WeakPolarHBondContact O-CB 3.3Å; E2346-R2350 WeakPolarHBondContact O-CD 3.37Å; E2346-R2350 VanDerWaalsContact O-CG 3.27Å; E2346-R2350 WeakPolarHBondContact O-CG 3.32Å; E2346-R2350 VanDerWaalsContact O-CZ 3.28Å; E2346-R2350 PolarHBondContact O-N 3.07Å; E2346-R2350 PolarHBondContact O-NE 3.03Å; E2346-R2350 PolarHBondContact O-NH2 3.45Å; E2346-R2350 IonicContact OE1-CZ 2.76Å; E2346-R2350 VanDerWaalsContact OE1-CZ 3.3Å; E2346-R2350 IonicContact OE1-NE 3.21Å; E2346-R2350 PolarHBondContact OE1-NE 2.94Å; E2346-R2350 IonicContact OE1-NH1 2.71Å; E2346-R2350 PolarHBondContact OE1-NH1 3.14Å; E2346-R2350 IonicContact OE1-NH2 3.26Å; E2346-R2350 PolarHBondContact OE1-NH2 3.06Å; E2346-R2350 IonicContact OE2-CZ 3.57Å; E2346-R2350 IonicContact OE2-NE 3.6Å; E2346-R2350 IonicContact OE2-NH1 2.63Å; E2346-R2350 PolarHBondContact OE2-NH1 2.56Å; E2346-R2350 IonicContact OE2-NH2 3.24Å; E2346-R2350 PolarHBondContact OE2-NH2 3.45Å; K2347-R2350 WeakPolarHBondContact O-CA 3.46Å; K2347-R2350 WeakPolarHBondContact O-CB 3.25Å; K2347-R2350 PolarHBondContact O-N 3.31Å; K2347-R2350 VanDerWaalsContact O-N 3.13Å; A2348-R2350 VanDerWaalsContact C-N 3.29Å; A2348-R2350 PolarHBondContact O-N 3.08Å; R2350-S2352 VanDerWaalsContact C-N 3.33Å; R2350-S2352 PolarHBondContact O-N 3.21Å; R2350-R2353 PolarHBondContact O-N 3.46Å; R2350-L2358 HydrophobicContact CG-CD1 4.02Å
2351Q66.5Low71.5Confident150.2 Ų150.282.7 Ų82.770%0.70242%0.415SS*.Hα-helixtrans-66.9-31.4177-72172.5-16.200112.8K2347 A2348 R2353K2347-Q2351 WeakPolarHBondContact O-CB 3.34Å; K2347-Q2351 VanDerWaalsContact O-CG 3.32Å; K2347-Q2351 WeakPolarHBondContact O-CG 3.44Å; K2347-Q2351 PolarHBondContact O-N 3.04Å; K2347-Q2351 VanDerWaalsContact O-N 3.08Å; A2348-Q2351 PolarHBondContact O-N 3.14Å; Q2351-R2353 VanDerWaalsContact C-N 3.29Å; Q2351-R2353 PolarHBondContact O-N 3.2Å
2352S68.8Low72.9Confident90 Ų9077.9 Ų77.963%0.62939%0.393SS*.THydrogen-bonded Turntrans-81.510.1-178.469.60000115.4A2348 F2349 R2350A2348-S2352 WeakPolarHBondContact O-CB 3.44Å; A2348-S2352 PolarHBondContact O-N 3.1Å; A2348-S2352 VanDerWaalsContact O-N 3.13Å; A2348-S2352 PolarHBondContact O-OG 3.12Å; F2349-S2352 WeakPolarHBondContact CA-OG 3.39Å; F2349-S2352 PolarHBondContact O-OG 3.04Å; F2349-S2352 VanDerWaalsContact O-OG 3.08Å; R2350-S2352 VanDerWaalsContact C-N 3.33Å; R2350-S2352 PolarHBondContact O-N 3.21Å
2353R74.3Confident74.5Confident95.4 Ų95.478.9 Ų78.936%0.3640%0.401SS..SBendtrans-121151.5-172.8-64.5-174.9125.6-172.2-1.2112.6F2349 R2350 Q2351 F2357F2349-R2353 VanDerWaalsContact CZ-NE 3.33Å; F2349-R2353 VanDerWaalsContact CZ-NH1 3.29Å; F2349-R2353 VanDerWaalsContact CZ-NH2 3.33Å; F2349-R2353 VanDerWaalsContact O-CD 3.26Å; F2349-R2353 WeakPolarHBondContact O-CD 3.45Å; F2349-R2353 VanDerWaalsContact O-CG 3.28Å; F2349-R2353 WeakPolarHBondContact O-CG 3.35Å; R2350-R2353 PolarHBondContact O-N 3.46Å; Q2351-R2353 VanDerWaalsContact C-N 3.29Å; Q2351-R2353 PolarHBondContact O-N 3.2Å; R2353-F2357 HydrophobicContact CB-CD1 4.13Å; R2353-F2357 HydrophobicContact CG-CD1 4.34Å; R2353-F2357 VanDerWaalsContact CZ-CZ 3.45Å; R2353-F2357 VanDerWaalsContact NE-CD1 3.31Å; R2353-F2357 VanDerWaalsContact NE-CE1 3.32Å; R2353-F2357 VanDerWaalsContact NH1-CE1 3.29Å; R2353-F2357 VanDerWaalsContact NH1-CZ 3.29Å; R2353-F2357 VanDerWaalsContact NH2-CZ 3.26Å
2354S83Confident75.8Confident81.6 Ų81.676.8 Ų76.857%0.57140%0.4SS*.  trans-67147.3-177.264.10000112.7G2356 F2357 L2358S2354-G2356 PolarHBondContact O-N 3.17Å; S2354-G2356 VanDerWaalsContact O-N 3.15Å; S2354-F2357 WeakPolarHBondContact O-CA 3.49Å; S2354-F2357 WeakPolarHBondContact O-CB 3.29Å; S2354-F2357 PolarHBondContact O-N 3.2Å; S2354-F2357 VanDerWaalsContact O-N 3.15Å; S2354-F2357 PolarHBondContact OG-N 2.99Å; S2354-L2358 PolarHBondContact O-N 3.28Å; S2354-L2358 VanDerWaalsContact O-N 3.12Å
2355Y80.5Confident77.1Confident111.6 Ų111.672.4 Ų72.444%0.43838%0.38SS..Hα-helixtrans-51.9-38.5177.3-70.6-80000113.1P1904 L2229 D2233 I2236 F2357 L2358 L2359P1904-Y2355 HydrophobicContact CG-CE1 4.49Å; L2229-Y2355 HydrophobicContact CD1-CD2 4.21Å; L2229-Y2355 HydrophobicContact CD1-CE2 4.01Å; L2229-Y2355 HydrophobicContact CD2-CD2 3.86Å; L2229-Y2355 HydrophobicContact CD2-CE2 4.23Å; L2229-Y2355 HydrophobicContact CD2-CG 4.23Å; L2229-Y2355 HydrophobicContact CG-CD2 4.46Å; D2233-Y2355 HydrophobicContact CB-CE1 4.44Å; I2236-Y2355 HydrophobicContact CD1-CD1 4.34Å; Y2355-F2357 VanDerWaalsContact C-N 3.33Å; Y2355-F2357 PolarHBondContact O-N 3.14Å; Y2355-L2358 PolarHBondContact O-N 2.98Å; Y2355-L2359 WeakPolarHBondContact O-CB 3.35Å; Y2355-L2359 PolarHBondContact O-N 3.27Å
2356G83.2Confident78.5Confident50.8 Ų50.867.6 Ų67.652%0.52437%0.365SS..Hα-helixtrans-63.6-36.5176.900000113.7S2354 L2359 L2360S2354-G2356 PolarHBondContact O-N 3.17Å; S2354-G2356 VanDerWaalsContact O-N 3.15Å; G2356-L2359 PolarHBondContact O-N 3.41Å; G2356-L2360 WeakPolarHBondContact O-CB 3.27Å; G2356-L2360 PolarHBondContact O-N 3Å
2357F85.3Confident79.6Confident66.2 Ų66.267.9 Ų67.929%0.2938%0.375SS..Hα-helixtrans-71.6-38.8174.4179.8-91.7000111.8F2349 R2353 S2354 Y2355 L2359 L2360 I2361F2349-F2357 HydrophobicContact CE1-CE1 4.49Å; R2353-F2357 HydrophobicContact CB-CD1 4.13Å; R2353-F2357 HydrophobicContact CG-CD1 4.34Å; R2353-F2357 VanDerWaalsContact CZ-CZ 3.45Å; R2353-F2357 VanDerWaalsContact NE-CD1 3.31Å; R2353-F2357 VanDerWaalsContact NE-CE1 3.32Å; R2353-F2357 VanDerWaalsContact NH1-CE1 3.29Å; R2353-F2357 VanDerWaalsContact NH1-CZ 3.29Å; R2353-F2357 VanDerWaalsContact NH2-CZ 3.26Å; S2354-F2357 WeakPolarHBondContact O-CA 3.49Å; S2354-F2357 WeakPolarHBondContact O-CB 3.29Å; S2354-F2357 PolarHBondContact O-N 3.2Å; S2354-F2357 VanDerWaalsContact O-N 3.15Å; S2354-F2357 PolarHBondContact OG-N 2.99Å; Y2355-F2357 VanDerWaalsContact C-N 3.33Å; Y2355-F2357 PolarHBondContact O-N 3.14Å; F2357-L2359 VanDerWaalsContact C-N 3.33Å; F2357-L2359 PolarHBondContact O-N 3.13Å; F2357-L2360 WeakPolarHBondContact O-CB 3.45Å; F2357-L2360 PolarHBondContact O-N 3.33Å; F2357-I2361 HydrophobicContact CD1-CD1 4.21Å; F2357-I2361 HydrophobicContact CD1-CG1 4.47Å; F2357-I2361 HydrophobicContact CE1-CD1 3.31Å; F2357-I2361 HydrophobicContact CE1-CG1 3.91Å; F2357-I2361 HydrophobicContact CZ-CD1 3.67Å; F2357-I2361 HydrophobicContact CZ-CG1 4.02Å; F2357-I2361 PolarHBondContact O-N 3.28Å; F2357-I2361 VanDerWaalsContact O-N 3.11Å
2358L84.7Confident80.8Confident41 Ų4165.9 Ų65.922%0.21537%0.368CS..Hα-helixtrans-65.5-38.6176.1-171.761.9000111.7I2236 R2350 S2354 Y2355 I2361 A2362I2236-L2358 HydrophobicContact CD1-CB 4.2Å; I2236-L2358 HydrophobicContact CD1-CD2 4.24Å; I2236-L2358 HydrophobicContact CD1-CG 4.21Å; I2236-L2358 HydrophobicContact CG2-CD2 4Å; I2236-L2358 HydrophobicContact CG2-CG 4.01Å; R2350-L2358 HydrophobicContact CG-CD1 4.02Å; S2354-L2358 PolarHBondContact O-N 3.28Å; S2354-L2358 VanDerWaalsContact O-N 3.12Å; Y2355-L2358 PolarHBondContact O-N 2.98Å; L2358-I2361 PolarHBondContact O-N 3.13Å; L2358-A2362 PolarHBondContact O-N 3.11Å
2359L87.2Confident81.9Confident43.4 Ų43.464.9 Ų64.923%0.22736%0.356CS..Hα-helixtrans-61.4-43.7171.1-176.567000111.6V2232 L2235 I2236 L2239 Y2355 G2356 F2357 I2361 A2362 V2363V2232-L2359 HydrophobicContact CG1-CB 4.26Å; V2232-L2359 HydrophobicContact CG1-CD2 4.32Å; L2235-L2359 HydrophobicContact CD2-CD1 3.84Å; L2235-L2359 HydrophobicContact CG-CD1 4.05Å; I2236-L2359 HydrophobicContact CD1-CB 4.14Å; I2236-L2359 HydrophobicContact CG1-CB 4.08Å; I2236-L2359 HydrophobicContact CG1-CD1 3.89Å; L2239-L2359 HydrophobicContact CD1-CD1 3.93Å; Y2355-L2359 WeakPolarHBondContact O-CB 3.35Å; Y2355-L2359 PolarHBondContact O-N 3.27Å; G2356-L2359 PolarHBondContact O-N 3.41Å; F2357-L2359 VanDerWaalsContact C-N 3.33Å; F2357-L2359 PolarHBondContact O-N 3.13Å; L2359-I2361 VanDerWaalsContact C-N 3.31Å; L2359-I2361 PolarHBondContact O-N 3.23Å; L2359-A2362 WeakPolarHBondContact O-CB 3.21Å; L2359-A2362 PolarHBondContact O-N 3.06Å; L2359-A2362 VanDerWaalsContact O-N 3.1Å; L2359-V2363 HydrophobicContact CD1-CG2 4.28Å; L2359-V2363 HydrophobicContact CG-CG2 4.42Å; L2359-V2363 WeakPolarHBondContact O-CB 3.26Å; L2359-V2363 WeakPolarHBondContact O-CG2 3.34Å; L2359-V2363 PolarHBondContact O-N 3.23Å
2360L88.2Confident82.9Confident118.6 Ų118.663.9 Ų63.962%0.62135%0.35SS*.Hα-helixtrans-60.5-40.3176.6-170.3122.9000111.9G2356 F2357 A2362 V2363 G2364G2356-L2360 WeakPolarHBondContact O-CB 3.27Å; G2356-L2360 PolarHBondContact O-N 3Å; F2357-L2360 WeakPolarHBondContact O-CB 3.45Å; F2357-L2360 PolarHBondContact O-N 3.33Å; L2360-A2362 VanDerWaalsContact C-N 3.35Å; L2360-V2363 PolarHBondContact O-N 2.96Å; L2360-G2364 PolarHBondContact O-N 3.15Å
2361I86.5Confident84.1Confident58 Ų5860.8 Ų60.830%0.29734%0.34SS..Hα-helixtrans-64.3-42172.3-74.8-173.3000111.6F2349 F2357 L2358 L2359 V2363 G2364 N2365F2349-I2361 HydrophobicContact CE1-CD1 4.4Å; F2357-I2361 HydrophobicContact CD1-CD1 4.21Å; F2357-I2361 HydrophobicContact CD1-CG1 4.47Å; F2357-I2361 HydrophobicContact CE1-CD1 3.31Å; F2357-I2361 HydrophobicContact CE1-CG1 3.91Å; F2357-I2361 HydrophobicContact CZ-CD1 3.67Å; F2357-I2361 HydrophobicContact CZ-CG1 4.02Å; F2357-I2361 PolarHBondContact O-N 3.28Å; F2357-I2361 VanDerWaalsContact O-N 3.11Å; L2358-I2361 PolarHBondContact O-N 3.13Å; L2359-I2361 VanDerWaalsContact C-N 3.31Å; L2359-I2361 PolarHBondContact O-N 3.23Å; I2361-V2363 VanDerWaalsContact C-N 3.34Å; I2361-G2364 PolarHBondContact O-N 3.07Å; I2361-N2365 WeakPolarHBondContact CG2-ND2 3.41Å; I2361-N2365 WeakPolarHBondContact O-CB 3.43Å; I2361-N2365 PolarHBondContact O-N 3.22Å; I2361-N2365 PolarHBondContact O-ND2 3.21Å
2362A86.7Confident85.3Confident0.6 Ų0.655.8 Ų55.81%0.00532%0.317CS..Hα-helixtrans-63.7-45.4179.300000111.6I2236 L2239 L2358 L2359 L2360 G2364 N2365 L2366I2236-A2362 HydrophobicContact CG1-CB 4.44Å; L2239-A2362 HydrophobicContact CB-CB 3.85Å; L2239-A2362 HydrophobicContact CD1-CB 3.98Å; L2358-A2362 PolarHBondContact O-N 3.11Å; L2359-A2362 WeakPolarHBondContact O-CB 3.21Å; L2359-A2362 PolarHBondContact O-N 3.06Å; L2359-A2362 VanDerWaalsContact O-N 3.1Å; L2360-A2362 VanDerWaalsContact C-N 3.35Å; A2362-G2364 PolarHBondContact O-N 2.87Å; A2362-N2365 PolarHBondContact O-N 3.03Å; A2362-L2366 WeakPolarHBondContact O-CB 3.38Å; A2362-L2366 PolarHBondContact O-N 3.22Å; A2362-L2366 VanDerWaalsContact O-N 3.1Å
2363V88.2Confident86.3Confident71 Ų7155 Ų5543%0.4331%0.305SS..Hα-helixtrans-65.1-40.9174.7174.10000111.6L2239 L2359 L2360 I2361 N2365 L2366 A2367L2239-V2363 HydrophobicContact CD1-CG2 3.9Å; L2359-V2363 HydrophobicContact CD1-CG2 4.28Å; L2359-V2363 HydrophobicContact CG-CG2 4.42Å; L2359-V2363 WeakPolarHBondContact O-CB 3.26Å; L2359-V2363 WeakPolarHBondContact O-CG2 3.34Å; L2359-V2363 PolarHBondContact O-N 3.23Å; L2360-V2363 PolarHBondContact O-N 2.96Å; I2361-V2363 VanDerWaalsContact C-N 3.34Å; V2363-N2365 VanDerWaalsContact C-N 3.34Å; V2363-N2365 PolarHBondContact O-N 3.27Å; V2363-L2366 VanDerWaalsContact O-CB 3.31Å; V2363-L2366 WeakPolarHBondContact O-CB 3.37Å; V2363-L2366 PolarHBondContact O-N 3.08Å; V2363-L2366 VanDerWaalsContact O-N 3.15Å; V2363-A2367 WeakPolarHBondContact O-CB 3.39Å; V2363-A2367 PolarHBondContact O-N 3.19Å
2364G87.2Confident87.1Confident32.4 Ų32.455.8 Ų55.833%0.33431%0.312SS..Hα-helixtrans-62.1-41.4176.300000112.9L2360 I2361 A2362 L2366 A2367 I2368L2360-G2364 PolarHBondContact O-N 3.15Å; I2361-G2364 PolarHBondContact O-N 3.07Å; A2362-G2364 PolarHBondContact O-N 2.87Å; G2364-L2366 VanDerWaalsContact C-N 3.32Å; G2364-L2366 PolarHBondContact O-N 2.8Å; G2364-A2367 PolarHBondContact O-N 3.16Å; G2364-I2368 WeakPolarHBondContact O-CD1 3.39Å; G2364-I2368 VanDerWaalsContact O-CG1 3.29Å; G2364-I2368 WeakPolarHBondContact O-CG1 3.38Å; G2364-I2368 PolarHBondContact O-N 3.06Å; G2364-I2368 VanDerWaalsContact O-N 3.1Å
2365N86.6Confident87.6Confident17.2 Ų17.252 Ų529%0.09229%0.285CS..Hα-helixtrans-66.7-38.6173.2-73.4-62.1000111.9T2243 R2250 I2361 A2362 V2363 A2367 I2368 V2369T2243-N2365 HydrophobicContact CG2-CB 4.07Å; R2250-N2365 PolarHBondContact NH1-OD1 3.15Å; I2361-N2365 WeakPolarHBondContact CG2-ND2 3.41Å; I2361-N2365 WeakPolarHBondContact O-CB 3.43Å; I2361-N2365 PolarHBondContact O-N 3.22Å; I2361-N2365 PolarHBondContact O-ND2 3.21Å; A2362-N2365 PolarHBondContact O-N 3.03Å; V2363-N2365 VanDerWaalsContact C-N 3.34Å; V2363-N2365 PolarHBondContact O-N 3.27Å; N2365-A2367 PolarHBondContact O-N 3.15Å; N2365-I2368 PolarHBondContact O-N 3.2Å; N2365-V2369 WeakPolarHBondContact O-CG2 3.38Å; N2365-V2369 PolarHBondContact O-N 2.92Å; N2365-V2369 VanDerWaalsContact O-N 3.13Å
2366L89.5Confident88.2Confident43.8 Ų43.847.4 Ų47.423%0.22927%0.267CS..Hα-helixtrans-59.9-47175-170.682.1000111.4L2239 L2242 T2243 A2362 V2363 G2364 I2368 V2369 Y2370L2239-L2366 HydrophobicContact CD2-CB 4.24Å; L2239-L2366 HydrophobicContact CD2-CD1 4.12Å; L2239-L2366 HydrophobicContact CD2-CD2 3.82Å; L2239-L2366 HydrophobicContact CD2-CG 4.35Å; L2242-L2366 HydrophobicContact CB-CD1 4.28Å; L2242-L2366 HydrophobicContact CD1-CD1 4.01Å; T2243-L2366 HydrophobicContact CG2-CB 4.35Å; T2243-L2366 HydrophobicContact CG2-CD1 4.33Å; A2362-L2366 WeakPolarHBondContact O-CB 3.38Å; A2362-L2366 PolarHBondContact O-N 3.22Å; A2362-L2366 VanDerWaalsContact O-N 3.1Å; V2363-L2366 VanDerWaalsContact O-CB 3.31Å; V2363-L2366 WeakPolarHBondContact O-CB 3.37Å; V2363-L2366 PolarHBondContact O-N 3.08Å; V2363-L2366 VanDerWaalsContact O-N 3.15Å; G2364-L2366 VanDerWaalsContact C-N 3.32Å; G2364-L2366 PolarHBondContact O-N 2.8Å; L2366-I2368 VanDerWaalsContact C-N 3.31Å; L2366-I2368 PolarHBondContact O-N 3.13Å; L2366-V2369 PolarHBondContact O-N 3.34Å; L2366-Y2370 HydrophobicContact CD1-CD2 3.73Å; L2366-Y2370 VanDerWaalsContact CD1-CD2 3.49Å; L2366-Y2370 HydrophobicContact CD1-CE2 3.58Å; L2366-Y2370 HydrophobicContact CG-CD2 3.96Å; L2366-Y2370 HydrophobicContact CG-CE2 4.26Å; L2366-Y2370 WeakPolarHBondContact O-CD2 3.49Å; L2366-Y2370 PolarHBondContact O-N 3.16Å
2367A86.7Confident88.6Confident53.6 Ų53.649.9 Ų49.944%0.44326%0.264SS..Hα-helixtrans-62.2-34.9-179.600000112.8V2363 G2364 N2365 S2371V2363-A2367 WeakPolarHBondContact O-CB 3.39Å; V2363-A2367 PolarHBondContact O-N 3.19Å; G2364-A2367 PolarHBondContact O-N 3.16Å; N2365-A2367 PolarHBondContact O-N 3.15Å; A2367-S2371 VanDerWaalsContact O-CA 3.24Å; A2367-S2371 WeakPolarHBondContact O-CA 3.39Å; A2367-S2371 VanDerWaalsContact O-CB 3.28Å; A2367-S2371 WeakPolarHBondContact O-CB 3.37Å; A2367-S2371 PolarHBondContact O-N 3.24Å; A2367-S2371 VanDerWaalsContact O-N 3.14Å
2368I86.9Confident89Confident34.2 Ų34.247.9 Ų47.918%0.17526%0.256CS..Hα-helixtrans-68.6-47.5174.6-64163000110.6Y2246 G2364 N2365 L2366 Y2370 S2371 Y2483Y2246-I2368 HydrophobicContact CE1-CB 4.4Å; Y2246-I2368 HydrophobicContact CE1-CG2 4.07Å; Y2246-I2368 HydrophobicContact CE2-CG2 4.24Å; Y2246-I2368 VanDerWaalsContact OH-CG2 3.28Å; Y2246-I2368 WeakPolarHBondContact OH-CG2 3.39Å; G2364-I2368 WeakPolarHBondContact O-CD1 3.39Å; G2364-I2368 VanDerWaalsContact O-CG1 3.29Å; G2364-I2368 WeakPolarHBondContact O-CG1 3.38Å; G2364-I2368 PolarHBondContact O-N 3.06Å; G2364-I2368 VanDerWaalsContact O-N 3.1Å; N2365-I2368 PolarHBondContact O-N 3.2Å; L2366-I2368 VanDerWaalsContact C-N 3.31Å; L2366-I2368 PolarHBondContact O-N 3.13Å; I2368-Y2370 VanDerWaalsContact C-N 3.33Å; I2368-Y2370 PolarHBondContact O-N 3.19Å; I2368-S2371 WeakPolarHBondContact O-CB 3.35Å; I2368-S2371 PolarHBondContact O-N 3.13Å; I2368-S2371 PolarHBondContact O-OG 3.3Å; I2368-Y2483 HydrophobicContact CG1-CD1 4.41Å; I2368-Y2483 HydrophobicContact CG1-CE1 4.04Å; I2368-Y2483 HydrophobicContact CG1-CE2 4.41Å; I2368-Y2483 HydrophobicContact CG2-CD1 4.31Å; I2368-Y2483 HydrophobicContact CG2-CD2 4.49Å; I2368-Y2483 HydrophobicContact CG2-CG 4.23Å
2369V86.1Confident89.4Confident32.2 Ų32.245.9 Ų45.920%0.19525%0.245CC..Hα-helixtrans-60.4-47.1-179.3172.20000111.7T2243 Y2246 N2365 L2366 S2371T2243-V2369 HydrophobicContact CG2-CG2 4.28Å; Y2246-V2369 VanDerWaalsContact CB-CG2 3.47Å; Y2246-V2369 HydrophobicContact CD1-CG2 3.48Å; Y2246-V2369 VanDerWaalsContact CD1-CG2 3.47Å; Y2246-V2369 HydrophobicContact CD2-CB 4.28Å; Y2246-V2369 HydrophobicContact CD2-CG1 3.46Å; Y2246-V2369 VanDerWaalsContact CD2-CG1 3.46Å; Y2246-V2369 HydrophobicContact CD2-CG2 4.09Å; Y2246-V2369 HydrophobicContact CE1-CG2 4.34Å; Y2246-V2369 HydrophobicContact CE2-CG1 3.49Å; Y2246-V2369 VanDerWaalsContact CE2-CG1 3.49Å; Y2246-V2369 HydrophobicContact CG-CG1 4.16Å; Y2246-V2369 HydrophobicContact CG-CG2 3.46Å; Y2246-V2369 VanDerWaalsContact CG-CG2 3.42Å; N2365-V2369 WeakPolarHBondContact O-CG2 3.38Å; N2365-V2369 PolarHBondContact O-N 2.92Å; N2365-V2369 VanDerWaalsContact O-N 3.13Å; L2366-V2369 PolarHBondContact O-N 3.34Å; V2369-S2371 VanDerWaalsContact C-N 3.34Å; V2369-S2371 PolarHBondContact O-N 3.18Å
2370Y89Confident89.7Confident74.4 Ų74.445.2 Ų45.229%0.29224%0.241SC..THydrogen-bonded Turntrans-96.621.1-177.3-63.4-65.6000113.4H1874 T1875 L2366 I2368 E2372 L2373 F2374H1874-Y2370 HydrophobicContact CB-CD1 4.11Å; H1874-Y2370 WeakPolarHBondContact O-CD1 3.36Å; H1874-Y2370 WeakPolarHBondContact O-CE1 3.41Å; T1875-Y2370 HydrophobicContact CG2-CE1 4.39Å; L2366-Y2370 HydrophobicContact CD1-CD2 3.73Å; L2366-Y2370 VanDerWaalsContact CD1-CD2 3.49Å; L2366-Y2370 HydrophobicContact CD1-CE2 3.58Å; L2366-Y2370 HydrophobicContact CG-CD2 3.96Å; L2366-Y2370 HydrophobicContact CG-CE2 4.26Å; L2366-Y2370 WeakPolarHBondContact O-CD2 3.49Å; L2366-Y2370 PolarHBondContact O-N 3.16Å; I2368-Y2370 VanDerWaalsContact C-N 3.33Å; I2368-Y2370 PolarHBondContact O-N 3.19Å; Y2370-E2372 VanDerWaalsContact C-N 3.26Å; Y2370-E2372 PolarHBondContact O-N 3.15Å; Y2370-L2373 HydrophobicContact CD1-CD1 3.84Å; Y2370-L2373 HydrophobicContact CD1-CG 4.48Å; Y2370-L2373 HydrophobicContact CE1-CD1 4.38Å; Y2370-L2373 PolarHBondContact O-N 3.12Å; Y2370-L2373 VanDerWaalsContact O-N 3.11Å; Y2370-F2374 PolarHBondContact O-N 2.97Å
2371S91.7Very high90Very high11.4 Ų11.442.6 Ų42.68%0.0823%0.225CC..Hα-helixtrans-60-31.2-176.253.60000113.8A2367 I2368 V2369 F2374 C2375 H2480A2367-S2371 VanDerWaalsContact O-CA 3.24Å; A2367-S2371 WeakPolarHBondContact O-CA 3.39Å; A2367-S2371 VanDerWaalsContact O-CB 3.28Å; A2367-S2371 WeakPolarHBondContact O-CB 3.37Å; A2367-S2371 PolarHBondContact O-N 3.24Å; A2367-S2371 VanDerWaalsContact O-N 3.14Å; I2368-S2371 WeakPolarHBondContact O-CB 3.35Å; I2368-S2371 PolarHBondContact O-N 3.13Å; I2368-S2371 PolarHBondContact O-OG 3.3Å; V2369-S2371 VanDerWaalsContact C-N 3.34Å; V2369-S2371 PolarHBondContact O-N 3.18Å; S2371-F2374 PolarHBondContact O-N 3.19Å; S2371-C2375 PolarHBondContact O-N 3.07Å; S2371-C2375 VanDerWaalsContact O-N 3.11Å; S2371-C2375 PolarHBondContact O-SG 3.12Å; S2371-C2375 VanDerWaalsContact O-SG 3.34Å; S2371-H2480 WeakPolarHBondContact CB-ND1 3.42Å; S2371-H2480 PolarHBondContact OG-ND1 2.96Å
2372E90.7Very high90.2Very high45 Ų4539.9 Ų39.921%0.2121%0.211CC..Hα-helixtrans-64.6-45.3173.757.8-176.3-16100112.4H1874 Y2370 F2374 C2375 Y2376 W2414H1874-E2372 IonicContact CE1-OE1 3.2Å; H1874-E2372 PolarHBondContact CE1-OE1 2.84Å; H1874-E2372 IonicContact CE1-OE2 3.15Å; H1874-E2372 PolarHBondContact CE1-OE2 3.26Å; H1874-E2372 IonicContact CG-OE1 3.35Å; H1874-E2372 IonicContact ND1-OE1 3.16Å; H1874-E2372 PolarHBondContact ND1-OE1 2.82Å; H1874-E2372 IonicContact ND1-OE2 2.7Å; Y2370-E2372 VanDerWaalsContact C-N 3.26Å; Y2370-E2372 PolarHBondContact O-N 3.15Å; E2372-F2374 VanDerWaalsContact C-N 3.33Å; E2372-F2374 PolarHBondContact O-N 3.04Å; E2372-C2375 WeakPolarHBondContact O-CB 3.4Å; E2372-C2375 PolarHBondContact O-N 3.25Å; E2372-Y2376 WeakPolarHBondContact O-CD1 3.39Å; E2372-Y2376 WeakPolarHBondContact O-CD2 3.4Å; E2372-Y2376 VanDerWaalsContact O-CG 3.25Å; E2372-Y2376 PolarHBondContact O-N 3.2Å; E2372-Y2376 VanDerWaalsContact O-N 3.07Å; E2372-W2414 HydrophobicContact CB-CH2 4.44Å; E2372-W2414 HydrophobicContact CB-CZ2 4.38Å
2373L90Very high90.5Very high72.8 Ų72.840.4 Ų40.438%0.38121%0.214SC..Hα-helixtrans-67.8-34.9177.6-62.5-173.9000111.5H1874 Y2370 C2375 Y2376 F2377 M2403H1874-L2373 HydrophobicContact CB-CD1 3.74Å; H1874-L2373 HydrophobicContact CB-CG 3.93Å; Y2370-L2373 HydrophobicContact CD1-CD1 3.84Å; Y2370-L2373 HydrophobicContact CD1-CG 4.48Å; Y2370-L2373 HydrophobicContact CE1-CD1 4.38Å; Y2370-L2373 PolarHBondContact O-N 3.12Å; Y2370-L2373 VanDerWaalsContact O-N 3.11Å; L2373-C2375 VanDerWaalsContact C-N 3.35Å; L2373-Y2376 HydrophobicContact CD2-CD2 4.29Å; L2373-Y2376 PolarHBondContact O-N 3.08Å; L2373-F2377 WeakPolarHBondContact O-CB 3.37Å; L2373-F2377 PolarHBondContact O-N 3.15Å; L2373-M2403 HydrophobicContact CD2-SD 4.45Å
2374F91.2Very high90.7Very high112.2 Ų112.238.9 Ų38.949%0.49220%0.202SC..Hα-helixtrans-64.6-41175-176.6-108.3000111.9Y2370 S2371 E2372 Y2376 F2377 L2378 S2476Y2370-F2374 PolarHBondContact O-N 2.97Å; S2371-F2374 PolarHBondContact O-N 3.19Å; E2372-F2374 VanDerWaalsContact C-N 3.33Å; E2372-F2374 PolarHBondContact O-N 3.04Å; F2374-Y2376 PolarHBondContact O-N 3.12Å; F2374-F2377 PolarHBondContact O-N 3.23Å; F2374-L2378 HydrophobicContact CD1-CD1 4.1Å; F2374-L2378 HydrophobicContact CE1-CD1 3.54Å; F2374-L2378 VanDerWaalsContact CE1-CD1 3.43Å; F2374-L2378 HydrophobicContact CE1-CG 4.32Å; F2374-L2378 HydrophobicContact CE2-CD1 4.46Å; F2374-L2378 HydrophobicContact CE2-CG 4.44Å; F2374-L2378 HydrophobicContact CZ-CD1 3.79Å; F2374-L2378 HydrophobicContact CZ-CD2 4.42Å; F2374-L2378 HydrophobicContact CZ-CG 4.21Å; F2374-L2378 WeakPolarHBondContact O-CG 3.39Å; F2374-L2378 PolarHBondContact O-N 3.09Å; F2374-L2378 VanDerWaalsContact O-N 3.11Å; F2374-S2476 WeakPolarHBondContact CD1-OG 3.47Å
2375C92.9Very high90.7Very high2.4 Ų2.442.1 Ų42.12%0.01621%0.209CC..Hα-helixtrans-62.2-44.5171.8-66.20000111.7S2371 E2372 L2373 F2377 L2378 L2379 W2414 S2476 L2477S2371-C2375 PolarHBondContact O-N 3.07Å; S2371-C2375 VanDerWaalsContact O-N 3.11Å; S2371-C2375 PolarHBondContact O-SG 3.12Å; S2371-C2375 VanDerWaalsContact O-SG 3.34Å; E2372-C2375 WeakPolarHBondContact O-CB 3.4Å; E2372-C2375 PolarHBondContact O-N 3.25Å; L2373-C2375 VanDerWaalsContact C-N 3.35Å; C2375-F2377 VanDerWaalsContact C-N 3.34Å; C2375-F2377 PolarHBondContact O-N 3.08Å; C2375-L2378 PolarHBondContact O-N 3.24Å; C2375-L2379 VanDerWaalsContact O-CD1 3.25Å; C2375-L2379 WeakPolarHBondContact O-CD1 3.29Å; C2375-L2379 VanDerWaalsContact O-CG 3.28Å; C2375-L2379 WeakPolarHBondContact O-CG 3.36Å; C2375-L2379 PolarHBondContact O-N 3.07Å; C2375-W2414 HydrophobicContact CB-CH2 4.35Å; C2375-W2414 HydrophobicContact CB-CZ3 4.2Å; C2375-S2476 PolarHBondContact SG-OG 3.2Å; C2375-L2477 HydrophobicContact CB-CD2 4.09Å
2376Y93.2Very high90.6Very high13.2 Ų13.242.9 Ų42.95%0.05222%0.215CC..Hα-helixtrans-61.4-40.6176.7-66.4-12.9000112.9E2372 L2373 F2374 L2379 I2380 V2398 G2402 M2403 P2409 F2413 W2414E2372-Y2376 WeakPolarHBondContact O-CD1 3.39Å; E2372-Y2376 WeakPolarHBondContact O-CD2 3.4Å; E2372-Y2376 VanDerWaalsContact O-CG 3.25Å; E2372-Y2376 PolarHBondContact O-N 3.2Å; E2372-Y2376 VanDerWaalsContact O-N 3.07Å; L2373-Y2376 HydrophobicContact CD2-CD2 4.29Å; L2373-Y2376 PolarHBondContact O-N 3.08Å; F2374-Y2376 PolarHBondContact O-N 3.12Å; Y2376-L2379 HydrophobicContact CD1-CD1 4.28Å; Y2376-L2379 PolarHBondContact O-N 3.16Å; Y2376-I2380 WeakPolarHBondContact O-CD1 3.36Å; Y2376-I2380 VanDerWaalsContact O-CG1 3.29Å; Y2376-I2380 WeakPolarHBondContact O-CG1 3.37Å; Y2376-I2380 PolarHBondContact O-N 3.15Å; Y2376-I2380 VanDerWaalsContact O-N 3.13Å; Y2376-V2398 HydrophobicContact CD1-CB 4.38Å; Y2376-V2398 HydrophobicContact CD1-CG1 3.84Å; Y2376-V2398 HydrophobicContact CD1-CG2 3.78Å; Y2376-V2398 HydrophobicContact CD2-CG1 4.09Å; Y2376-V2398 HydrophobicContact CE1-CG1 4.35Å; Y2376-V2398 HydrophobicContact CE1-CG2 4.26Å; Y2376-V2398 HydrophobicContact CE2-CG1 4.47Å; Y2376-V2398 HydrophobicContact CG-CG1 3.67Å; Y2376-V2398 HydrophobicContact CG-CG2 4.38Å; Y2376-G2402 WeakPolarHBondContact OH-CA 3.4Å; Y2376-M2403 HydrophobicContact CD2-CG 4.03Å; Y2376-M2403 HydrophobicContact CD2-SD 3.64Å; Y2376-M2403 VanDerWaalsContact CD2-SD 3.5Å; Y2376-M2403 HydrophobicContact CE2-CG 3.89Å; Y2376-M2403 HydrophobicContact CE2-SD 3.49Å; Y2376-M2403 VanDerWaalsContact CE2-SD 3.54Å; Y2376-M2403 WeakPolarHBondContact CE2-SD 3.38Å; Y2376-P2409 WeakPolarHBondContact OH-CG 3.37Å; Y2376-F2413 AromaticContact CE1-CE1 3.86Å; Y2376-F2413 HydrophobicContact CE1-CE1 3.86Å; Y2376-F2413 AromaticContact CE1-CZ 3.76Å; Y2376-F2413 HydrophobicContact CE1-CZ 3.76Å; Y2376-W2414 HydrophobicContact CD1-CH2 4.36Å; Y2376-W2414 AromaticContact CE1-CH2 3.75Å; Y2376-W2414 HydrophobicContact CE1-CH2 3.75Å; Y2376-W2414 HydrophobicContact CE1-CZ2 4.32Å; Y2376-W2414 HydrophobicContact CE1-CZ3 4.31Å
2377F92.8Very high90.4Very high105 Ų10542.6 Ų42.646%0.46122%0.22SC..Hα-helixtrans-60.6-49.4173.6173.3-100000111.7L2373 F2374 C2375 L2379 I2380 F2381 L2708L2373-F2377 WeakPolarHBondContact O-CB 3.37Å; L2373-F2377 PolarHBondContact O-N 3.15Å; F2374-F2377 PolarHBondContact O-N 3.23Å; C2375-F2377 VanDerWaalsContact C-N 3.34Å; C2375-F2377 PolarHBondContact O-N 3.08Å; F2377-L2379 VanDerWaalsContact C-N 3.32Å; F2377-L2379 PolarHBondContact O-N 3.15Å; F2377-I2380 PolarHBondContact O-N 3.15Å; F2377-F2381 HydrophobicContact CE1-CB 4.48Å; F2377-F2381 HydrophobicContact CE1-CD2 4.46Å; F2377-F2381 HydrophobicContact CZ-CB 4.46Å; F2377-F2381 AromaticContact CZ-CD2 3.97Å; F2377-F2381 HydrophobicContact CZ-CD2 4Å; F2377-F2381 HydrophobicContact CZ-CG 4.46Å; F2377-F2381 VanDerWaalsContact O-CB 3.27Å; F2377-F2381 WeakPolarHBondContact O-CB 3.48Å; F2377-F2381 PolarHBondContact O-N 3.29Å; F2377-L2708 HydrophobicContact CE2-CD1 4.4Å
2378L93.3Very high90.4Very high23 Ų2340.3 Ų40.312%0.1220%0.2CC..Hα-helixtrans-62.2-37.6179.6-72.7177000112.9F2374 C2375 I2380 F2381 N2382 V2472F2374-L2378 HydrophobicContact CD1-CD1 4.1Å; F2374-L2378 HydrophobicContact CE1-CD1 3.54Å; F2374-L2378 VanDerWaalsContact CE1-CD1 3.43Å; F2374-L2378 HydrophobicContact CE1-CG 4.32Å; F2374-L2378 HydrophobicContact CE2-CD1 4.46Å; F2374-L2378 HydrophobicContact CE2-CG 4.44Å; F2374-L2378 HydrophobicContact CZ-CD1 3.79Å; F2374-L2378 HydrophobicContact CZ-CD2 4.42Å; F2374-L2378 HydrophobicContact CZ-CG 4.21Å; F2374-L2378 WeakPolarHBondContact O-CG 3.39Å; F2374-L2378 PolarHBondContact O-N 3.09Å; F2374-L2378 VanDerWaalsContact O-N 3.11Å; C2375-L2378 PolarHBondContact O-N 3.24Å; L2378-I2380 PolarHBondContact O-N 3.23Å; L2378-F2381 PolarHBondContact O-N 3.1Å; L2378-N2382 VanDerWaalsContact O-CB 3.27Å; L2378-N2382 WeakPolarHBondContact O-CB 3.43Å; L2378-N2382 PolarHBondContact O-N 3.06Å; L2378-V2472 HydrophobicContact CD1-CG1 4.23Å; L2378-V2472 HydrophobicContact CD2-CG1 4.38Å
2379L93.9Very high90.6Very high0 Ų042.8 Ų42.80%021%0.213CC..Hα-helixtrans-61.7-44.6175.8-75.6156.3000112.7C2375 Y2376 F2377 H2383 Y2394 V2398 L2417 Q2473C2375-L2379 VanDerWaalsContact O-CD1 3.25Å; C2375-L2379 WeakPolarHBondContact O-CD1 3.29Å; C2375-L2379 VanDerWaalsContact O-CG 3.28Å; C2375-L2379 WeakPolarHBondContact O-CG 3.36Å; C2375-L2379 PolarHBondContact O-N 3.07Å; Y2376-L2379 HydrophobicContact CD1-CD1 4.28Å; Y2376-L2379 PolarHBondContact O-N 3.16Å; F2377-L2379 VanDerWaalsContact C-N 3.32Å; F2377-L2379 PolarHBondContact O-N 3.15Å; L2379-H2383 PolarHBondContact O-N 3Å; L2379-Y2394 HydrophobicContact CD2-CD1 3.57Å; L2379-Y2394 HydrophobicContact CD2-CD2 4.44Å; L2379-Y2394 HydrophobicContact CD2-CE1 4.29Å; L2379-Y2394 HydrophobicContact CD2-CG 3.76Å; L2379-V2398 HydrophobicContact CB-CG2 4.13Å; L2379-V2398 HydrophobicContact CD1-CG2 3.62Å; L2379-V2398 VanDerWaalsContact CD1-CG2 3.47Å; L2379-V2398 HydrophobicContact CG-CG2 4.43Å; L2379-L2417 HydrophobicContact CD1-CD1 4.25Å; L2379-L2417 HydrophobicContact CD1-CD2 3.72Å; L2379-L2417 HydrophobicContact CD1-CG 4.43Å; L2379-L2417 HydrophobicContact CD2-CD1 3.81Å; L2379-L2417 HydrophobicContact CD2-CD2 4.31Å; L2379-L2417 HydrophobicContact CD2-CG 4.41Å; L2379-Q2473 VanDerWaalsContact CD2-CD 3.48Å; L2379-Q2473 HydrophobicContact CD2-CG 4.02Å; L2379-Q2473 VanDerWaalsContact CD2-NE2 3.3Å; L2379-Q2473 HydrophobicContact CG-CG 4.32Å
2380I93.5Very high90.8Very high28 Ų2842.3 Ų42.314%0.14421%0.21CC..Hα-helixtrans-70.1-41177.6-67164.5000110.2Y2376 F2377 L2378 H2383 M2384 P2395 V2398 Y2707 C2711Y2376-I2380 WeakPolarHBondContact O-CD1 3.36Å; Y2376-I2380 VanDerWaalsContact O-CG1 3.29Å; Y2376-I2380 WeakPolarHBondContact O-CG1 3.37Å; Y2376-I2380 PolarHBondContact O-N 3.15Å; Y2376-I2380 VanDerWaalsContact O-N 3.13Å; F2377-I2380 PolarHBondContact O-N 3.15Å; L2378-I2380 PolarHBondContact O-N 3.23Å; I2380-H2383 PolarHBondContact O-N 2.94Å; I2380-M2384 WeakPolarHBondContact O-CB 3.37Å; I2380-M2384 PolarHBondContact O-N 2.91Å; I2380-P2395 HydrophobicContact CG1-CB 4.32Å; I2380-V2398 HydrophobicContact CD1-CG1 4.38Å; I2380-Y2707 HydrophobicContact CG2-CE1 3.91Å; I2380-C2711 HydrophobicContact CD1-CB 4.15Å; I2380-C2711 HydrophobicContact CG2-CB 3.78Å; I2380-C2711 VanDerWaalsContact CG2-SG 3.56Å
2381F92.8Very high91Very high63.2 Ų63.238.9 Ų38.928%0.27720%0.197SC..Hα-helixtrans-64.9-41.7178.5-171.6-88.1000112.4F2377 L2378 H2383 M2384 H2385 F2469F2377-F2381 HydrophobicContact CE1-CB 4.48Å; F2377-F2381 HydrophobicContact CE1-CD2 4.46Å; F2377-F2381 HydrophobicContact CZ-CB 4.46Å; F2377-F2381 AromaticContact CZ-CD2 3.97Å; F2377-F2381 HydrophobicContact CZ-CD2 4Å; F2377-F2381 HydrophobicContact CZ-CG 4.46Å; F2377-F2381 VanDerWaalsContact O-CB 3.27Å; F2377-F2381 WeakPolarHBondContact O-CB 3.48Å; F2377-F2381 PolarHBondContact O-N 3.29Å; L2378-F2381 PolarHBondContact O-N 3.1Å; F2381-H2383 VanDerWaalsContact C-N 3.34Å; F2381-H2383 PolarHBondContact O-N 3.05Å; F2381-M2384 HydrophobicContact CD2-CE 3.63Å; F2381-M2384 VanDerWaalsContact CD2-CE 3.49Å; F2381-M2384 HydrophobicContact CE2-CE 3.57Å; F2381-M2384 VanDerWaalsContact CE2-CE 3.41Å; F2381-M2384 HydrophobicContact CG-CE 4.45Å; F2381-M2384 HydrophobicContact CZ-CE 4.32Å; F2381-M2384 WeakPolarHBondContact O-CB 3.39Å; F2381-M2384 PolarHBondContact O-N 3.14Å; F2381-H2385 PolarHBondContact O-N 3.29Å; F2381-F2469 HydrophobicContact CD1-CD1 4.23Å; F2381-F2469 HydrophobicContact CD1-CE1 4.19Å; F2381-F2469 AromaticContact CE1-CD1 3.98Å; F2381-F2469 HydrophobicContact CE1-CD1 4.08Å; F2381-F2469 AromaticContact CE1-CE1 3.59Å; F2381-F2469 HydrophobicContact CE1-CE1 3.59Å; F2381-F2469 VanDerWaalsContact CE1-CE1 3.48Å; F2381-F2469 AromaticContact CE1-CZ 3.94Å; F2381-F2469 HydrophobicContact CE1-CZ 4.05Å
2382N92.3Very high91Very high1.8 Ų1.840 Ų401%0.0120%0.201CC..Hα-helixtrans-62.8-41.1175-176.813.5000111.6L2378 H2385 S2386 Y2394 F2469 D2470 Q2473L2378-N2382 VanDerWaalsContact O-CB 3.27Å; L2378-N2382 WeakPolarHBondContact O-CB 3.43Å; L2378-N2382 PolarHBondContact O-N 3.06Å; N2382-H2385 PolarHBondContact O-N 3.06Å; N2382-S2386 WeakPolarHBondContact O-CB 3.44Å; N2382-S2386 PolarHBondContact O-N 3.29Å; N2382-S2386 PolarHBondContact O-OG 3.22Å; N2382-S2386 VanDerWaalsContact O-OG 3.12Å; N2382-S2386 PolarHBondContact OD1-OG 3.16Å; N2382-S2386 VanDerWaalsContact OD1-OG 3.08Å; N2382-Y2394 VanDerWaalsContact ND2-CE2 3.3Å; N2382-Y2394 WeakPolarHBondContact ND2-CE2 3.41Å; N2382-F2469 HydrophobicContact CB-CB 4.38Å; N2382-D2470 PolarHBondContact ND2-OD1 3.04Å; N2382-Q2473 VanDerWaalsContact CB-OE1 3.27Å; N2382-Q2473 PolarHBondContact ND2-NE2 2.78Å; N2382-Q2473 PolarHBondContact ND2-OE1 3.27Å
2383H92.7Very high91.1Very high11.6 Ų11.639.7 Ų39.75%0.05420%0.203CC..Hα-helixtrans-66.2-40172.7-175.955.6000112.6L2379 I2380 F2381 H2385 S2386 A2387 S2388 S2391 L2392 P2395 F2686 Y2707L2379-H2383 PolarHBondContact O-N 3Å; I2380-H2383 PolarHBondContact O-N 2.94Å; F2381-H2383 VanDerWaalsContact C-N 3.34Å; F2381-H2383 PolarHBondContact O-N 3.05Å; H2383-H2385 VanDerWaalsContact C-N 3.31Å; H2383-H2385 PolarHBondContact O-N 3.04Å; H2383-S2386 PolarHBondContact O-N 3.25Å; H2383-A2387 VanDerWaalsContact O-CA 3.3Å; H2383-A2387 WeakPolarHBondContact O-CA 3.4Å; H2383-A2387 PolarHBondContact O-N 3.25Å; H2383-S2388 PolarHBondContact CE1-O 3.15Å; H2383-S2391 VanDerWaalsContact ND1-C 3.29Å; H2383-S2391 WeakPolarHBondContact ND1-CB 3.39Å; H2383-S2391 PolarHBondContact ND1-O 3.02Å; H2383-S2391 PolarHBondContact ND1-OG 3.35Å; H2383-L2392 VanDerWaalsContact CE1-CA 3.44Å; H2383-L2392 WeakPolarHBondContact CE1-CA 3.44Å; H2383-L2392 PolarHBondContact CE1-N 2.89Å; H2383-L2392 PolarHBondContact ND1-N 3.02Å; H2383-P2395 HydrophobicContact CB-CG 4.25Å; H2383-F2686 AromaticContact CD2-CE2 3.8Å; H2383-F2686 AromaticContact CD2-CZ 3.62Å; H2383-F2686 VanDerWaalsContact CD2-CZ 3.47Å; H2383-F2686 WeakPolarHBondContact CD2-CZ 3.36Å; H2383-F2686 AromaticContact NE2-CD2 3.61Å; H2383-F2686 AromaticContact NE2-CE1 3.81Å; H2383-F2686 AromaticContact NE2-CE2 3.14Å; H2383-F2686 WeakPolarHBondContact NE2-CE2 3.37Å; H2383-F2686 AromaticContact NE2-CZ 3.25Å; H2383-F2686 VanDerWaalsContact NE2-CZ 3.31Å; H2383-F2686 WeakPolarHBondContact NE2-CZ 3.37Å; H2383-Y2707 AromaticContact CD2-CZ 3.81Å; H2383-Y2707 PolarHBondContact CD2-OH 3.4Å
2384M91.6Very high91.3Very high39.6 Ų39.636.2 Ų36.220%0.19519%0.185CC..Hα-helixtrans-60.4-39.1175.8-173.1-174.876.600112.4I2380 F2381 F2697 Q2704 Y2707 L2708I2380-M2384 WeakPolarHBondContact O-CB 3.37Å; I2380-M2384 PolarHBondContact O-N 2.91Å; F2381-M2384 HydrophobicContact CD2-CE 3.63Å; F2381-M2384 VanDerWaalsContact CD2-CE 3.49Å; F2381-M2384 HydrophobicContact CE2-CE 3.57Å; F2381-M2384 VanDerWaalsContact CE2-CE 3.41Å; F2381-M2384 HydrophobicContact CG-CE 4.45Å; F2381-M2384 HydrophobicContact CZ-CE 4.32Å; F2381-M2384 WeakPolarHBondContact O-CB 3.39Å; F2381-M2384 PolarHBondContact O-N 3.14Å; M2384-F2697 HydrophobicContact CG-CE1 4.13Å; M2384-F2697 WeakPolarHBondContact O-CE1 3.14Å; M2384-Q2704 HydrophobicContact CG-CB 4.26Å; M2384-Q2704 HydrophobicContact CG-CG 4.41Å; M2384-Q2704 HydrophobicContact SD-CB 4.13Å; M2384-Y2707 HydrophobicContact CB-CD1 4.03Å; M2384-Y2707 HydrophobicContact CB-CE1 4.29Å; M2384-Y2707 HydrophobicContact CG-CD1 4.13Å; M2384-L2708 HydrophobicContact SD-CB 4.29Å; M2384-L2708 HydrophobicContact SD-CD1 4.3Å
2385H88.1Confident91.3Very high100.2 Ų100.231.1 Ų31.146%0.46416%0.163SC..Hα-helixtrans-77.4-44.9177.2-177.5-83.5000112.8F2381 N2382 H2383 F2469 T2698F2381-H2385 PolarHBondContact O-N 3.29Å; N2382-H2385 PolarHBondContact O-N 3.06Å; H2383-H2385 VanDerWaalsContact C-N 3.31Å; H2383-H2385 PolarHBondContact O-N 3.04Å; H2385-F2469 HydrophobicContact CB-CD2 4.46Å; H2385-F2469 HydrophobicContact CB-CE2 4.44Å; H2385-F2469 AromaticContact CD2-CE2 3.65Å; H2385-F2469 AromaticContact CE1-CD2 3.93Å; H2385-F2469 AromaticContact CE1-CE2 3.61Å; H2385-F2469 AromaticContact CG-CD2 3.92Å; H2385-F2469 AromaticContact CG-CE2 3.71Å; H2385-F2469 AromaticContact ND1-CD2 3.65Å; H2385-F2469 AromaticContact ND1-CE2 3.68Å; H2385-F2469 AromaticContact NE2-CE2 3.59Å; H2385-T2698 WeakPolarHBondContact O-CG2 3.27Å
2386S84.3Confident91.3Very high32.8 Ų32.833.3 Ų33.323%0.22917%0.174CC..Hα-helixtrans-79.3-26.8-175.7-650000113.6N2382 H2383 S2388N2382-S2386 WeakPolarHBondContact O-CB 3.44Å; N2382-S2386 PolarHBondContact O-N 3.29Å; N2382-S2386 PolarHBondContact O-OG 3.22Å; N2382-S2386 VanDerWaalsContact O-OG 3.12Å; N2382-S2386 PolarHBondContact OD1-OG 3.16Å; N2382-S2386 VanDerWaalsContact OD1-OG 3.08Å; H2383-S2386 PolarHBondContact O-N 3.25Å; S2386-S2388 WeakPolarHBondContact O-CB 3.38Å; S2386-S2388 PolarHBondContact O-N 3.11Å; S2386-S2388 VanDerWaalsContact O-N 3.11Å
2387A85.4Confident91.3Very high39 Ų3935.1 Ų35.132%0.32218%0.184SC..  trans44.740.517800000114.9H2383 F2686 F2697 T2698H2383-A2387 VanDerWaalsContact O-CA 3.3Å; H2383-A2387 WeakPolarHBondContact O-CA 3.4Å; H2383-A2387 PolarHBondContact O-N 3.25Å; A2387-F2686 HydrophobicContact CB-CD1 4.29Å; A2387-F2686 HydrophobicContact CB-CE1 4.23Å; A2387-F2697 HydrophobicContact CB-CB 4.18Å; A2387-F2697 HydrophobicContact CB-CD1 3.98Å; A2387-F2697 HydrophobicContact CB-CG 4.45Å; A2387-T2698 HydrophobicContact CB-CG2 4.37Å
2388S87Confident91.3Very high4.8 Ų4.830.1 Ų30.13%0.03416%0.162CC..SBendtrans-126.7157.9-165.667.70000114.3H2383 S2386 L2390 S2391 L2392 G2459H2383-S2388 PolarHBondContact CE1-O 3.15Å; S2386-S2388 WeakPolarHBondContact O-CB 3.38Å; S2386-S2388 PolarHBondContact O-N 3.11Å; S2386-S2388 VanDerWaalsContact O-N 3.11Å; S2388-L2390 VanDerWaalsContact C-N 3.29Å; S2388-L2390 PolarHBondContact O-N 3.11Å; S2388-S2391 PolarHBondContact N-OG 3.11Å; S2388-S2391 PolarHBondContact O-N 3.3Å; S2388-S2391 VanDerWaalsContact O-N 3.07Å; S2388-S2391 PolarHBondContact O-OG 3.12Å; S2388-S2391 VanDerWaalsContact O-OG 3.1Å; S2388-S2391 PolarHBondContact OG-N 3.23Å; S2388-S2391 PolarHBondContact OG-OG 3.23Å; S2388-L2392 PolarHBondContact O-N 3.03Å; S2388-L2392 VanDerWaalsContact O-N 3.07Å; S2388-G2459 VanDerWaalsContact CB-CA 3.45Å
2389L90.3Very high91.2Very high85.4 Ų85.429.8 Ų29.845%0.44716%0.16SC..THydrogen-bonded Turntrans-62-34176.2-170.664.7000112.6S2391 L2392 P2393 I2457 F2687L2389-S2391 VanDerWaalsContact C-N 3.27Å; L2389-S2391 PolarHBondContact O-N 3.31Å; L2389-L2392 HydrophobicContact CD1-CD1 4.45Å; L2389-L2392 PolarHBondContact O-N 3.22Å; L2389-P2393 VanDerWaalsContact O-CD 3.26Å; L2389-P2393 WeakPolarHBondContact O-CD 3.34Å; L2389-I2457 WeakPolarHBondContact CB-O 3.37Å; L2389-I2457 PolarHBondContact N-O 3.22Å; L2389-F2687 HydrophobicContact CD1-CZ 4.18Å
2390L90.8Very high91.1Very high23.2 Ų23.232.8 Ų32.812%0.12118%0.176CC..THydrogen-bonded Turntrans-69.7-18.7173.4-76170.5000113.9S2388 Y2420 V2424 I2427 I2458 I2460S2388-L2390 VanDerWaalsContact C-N 3.29Å; S2388-L2390 PolarHBondContact O-N 3.11Å; L2390-Y2420 PolarHBondContact O-OH 3.08Å; L2390-Y2420 VanDerWaalsContact O-OH 3.04Å; L2390-V2424 HydrophobicContact CB-CG1 4.44Å; L2390-V2424 HydrophobicContact CD2-CG2 4.48Å; L2390-I2427 HydrophobicContact CD1-CG2 3.86Å; L2390-I2427 HydrophobicContact CD2-CD1 4.34Å; L2390-I2427 HydrophobicContact CD2-CG2 4.45Å; L2390-I2458 VanDerWaalsContact CB-O 3.26Å; L2390-I2458 WeakPolarHBondContact CB-O 3.34Å; L2390-I2458 HydrophobicContact CD1-CG2 3.98Å; L2390-I2458 WeakPolarHBondContact CD1-O 3.43Å; L2390-I2458 HydrophobicContact CG-CG2 3.97Å; L2390-I2458 WeakPolarHBondContact CG-O 3.38Å; L2390-I2458 PolarHBondContact N-O 3.09Å; L2390-I2458 VanDerWaalsContact N-O 3.15Å; L2390-I2460 HydrophobicContact CD1-CD1 4.44Å; L2390-I2460 HydrophobicContact CD1-CG1 3.96Å
2391S92.1Very high91Very high2.8 Ų2.835.4 Ų35.42%0.0218%0.184CC..THydrogen-bonded Turntrans-101.2-16.1175.956.50000113.4H2383 S2388 L2389 Y2394 P2395H2383-S2391 VanDerWaalsContact ND1-C 3.29Å; H2383-S2391 WeakPolarHBondContact ND1-CB 3.39Å; H2383-S2391 PolarHBondContact ND1-O 3.02Å; H2383-S2391 PolarHBondContact ND1-OG 3.35Å; S2388-S2391 PolarHBondContact N-OG 3.11Å; S2388-S2391 PolarHBondContact O-N 3.3Å; S2388-S2391 VanDerWaalsContact O-N 3.07Å; S2388-S2391 PolarHBondContact O-OG 3.12Å; S2388-S2391 VanDerWaalsContact O-OG 3.1Å; S2388-S2391 PolarHBondContact OG-N 3.23Å; S2388-S2391 PolarHBondContact OG-OG 3.23Å; L2389-S2391 VanDerWaalsContact C-N 3.27Å; L2389-S2391 PolarHBondContact O-N 3.31Å; S2391-Y2394 WeakPolarHBondContact O-CB 3.35Å; S2391-Y2394 VanDerWaalsContact O-CD2 3.28Å; S2391-Y2394 WeakPolarHBondContact O-CD2 3.38Å; S2391-Y2394 PolarHBondContact O-N 3.12Å; S2391-Y2394 VanDerWaalsContact O-N 3.14Å; S2391-P2395 VanDerWaalsContact O-CD 3.29Å; S2391-P2395 WeakPolarHBondContact O-CD 3.28Å
2392L91.9Very high90.9Very high34.2 Ų34.232.4 Ų32.418%0.17917%0.171CC..THydrogen-bonded Turntrans-58.7-33.9-179-178.9150.6000114.7H2383 S2388 L2389 Y2394 P2395 L2396 F2687H2383-L2392 VanDerWaalsContact CE1-CA 3.44Å; H2383-L2392 WeakPolarHBondContact CE1-CA 3.44Å; H2383-L2392 PolarHBondContact CE1-N 2.89Å; H2383-L2392 PolarHBondContact ND1-N 3.02Å; S2388-L2392 PolarHBondContact O-N 3.03Å; S2388-L2392 VanDerWaalsContact O-N 3.07Å; L2389-L2392 HydrophobicContact CD1-CD1 4.45Å; L2389-L2392 PolarHBondContact O-N 3.22Å; L2392-Y2394 VanDerWaalsContact C-N 3.27Å; L2392-Y2394 PolarHBondContact O-N 3.18Å; L2392-P2395 VanDerWaalsContact O-CD 3.27Å; L2392-P2395 WeakPolarHBondContact O-CD 3.33Å; L2392-P2395 WeakPolarHBondContact O-CG 3.31Å; L2392-L2396 HydrophobicContact CD2-CD1 3.55Å; L2392-L2396 VanDerWaalsContact CD2-CD1 3.45Å; L2392-L2396 HydrophobicContact CD2-CG 4.24Å; L2392-F2687 HydrophobicContact CD1-CE2 3.9Å; L2392-F2687 HydrophobicContact CD1-CZ 4.12Å
2393P93.5Very high90.8Very high37.6 Ų37.632.8 Ų32.824%0.24417%0.173CC..Hα-helixtrans-66.7-21.6174.7-28.740000114.6L2389 L2396 M2397 Y2420L2389-P2393 VanDerWaalsContact O-CD 3.26Å; L2389-P2393 WeakPolarHBondContact O-CD 3.34Å; P2393-L2396 PolarHBondContact O-N 3.41Å; P2393-M2397 WeakPolarHBondContact O-CB 3.28Å; P2393-M2397 VanDerWaalsContact O-CG 3.26Å; P2393-M2397 WeakPolarHBondContact O-CG 3.39Å; P2393-M2397 PolarHBondContact O-N 3.17Å; P2393-Y2420 HydrophobicContact CB-CE1 3.82Å; P2393-Y2420 HydrophobicContact CG-CE1 4.24Å; P2393-Y2420 VanDerWaalsContact CG-OH 3.26Å; P2393-Y2420 WeakPolarHBondContact CG-OH 3.42Å
2394Y93.4Very high90.7Very high0.4 Ų0.432.3 Ų32.30%0.00217%0.171CC..Hα-helixtrans-59.7-59.9178.2-61.6-46.5000112.6L2379 N2382 S2391 L2392 L2396 M2397 V2398 L2417 Y2420 T2421 V2424 Q2473L2379-Y2394 HydrophobicContact CD2-CD1 3.57Å; L2379-Y2394 HydrophobicContact CD2-CD2 4.44Å; L2379-Y2394 HydrophobicContact CD2-CE1 4.29Å; L2379-Y2394 HydrophobicContact CD2-CG 3.76Å; N2382-Y2394 VanDerWaalsContact ND2-CE2 3.3Å; N2382-Y2394 WeakPolarHBondContact ND2-CE2 3.41Å; S2391-Y2394 WeakPolarHBondContact O-CB 3.35Å; S2391-Y2394 VanDerWaalsContact O-CD2 3.28Å; S2391-Y2394 WeakPolarHBondContact O-CD2 3.38Å; S2391-Y2394 PolarHBondContact O-N 3.12Å; S2391-Y2394 VanDerWaalsContact O-N 3.14Å; L2392-Y2394 VanDerWaalsContact C-N 3.27Å; L2392-Y2394 PolarHBondContact O-N 3.18Å; Y2394-L2396 VanDerWaalsContact C-N 3.33Å; Y2394-L2396 PolarHBondContact O-N 3.18Å; Y2394-M2397 PolarHBondContact O-N 3.09Å; Y2394-V2398 WeakPolarHBondContact O-CG2 3.34Å; Y2394-V2398 PolarHBondContact O-N 3.07Å; Y2394-V2398 VanDerWaalsContact O-N 3.1Å; Y2394-L2417 HydrophobicContact CD1-CD1 4.17Å; Y2394-Y2420 AromaticContact CD1-CD1 3.85Å; Y2394-Y2420 HydrophobicContact CD1-CD1 3.85Å; Y2394-Y2420 AromaticContact CD1-CE1 3.93Å; Y2394-Y2420 HydrophobicContact CD1-CE1 3.97Å; Y2394-Y2420 AromaticContact CE1-CD1 3.38Å; Y2394-Y2420 HydrophobicContact CE1-CD1 3.38Å; Y2394-Y2420 VanDerWaalsContact CE1-CD1 3.42Å; Y2394-Y2420 AromaticContact CE1-CE1 3.61Å; Y2394-Y2420 HydrophobicContact CE1-CE1 3.61Å; Y2394-Y2420 HydrophobicContact CE1-CG 4.46Å; Y2394-Y2420 AromaticContact CZ-CE1 3.99Å; Y2394-T2421 HydrophobicContact CE1-CG2 3.6Å; Y2394-V2424 WeakPolarHBondContact OH-CB 3.42Å; Y2394-V2424 WeakPolarHBondContact OH-CG2 3.4Å; Y2394-Q2473 VanDerWaalsContact CE1-NE2 3.35Å
2395P92Very high90.4Very high4.2 Ų4.230.8 Ų30.83%0.02716%0.164CC..Hα-helixtrans-65-34.417827.9-37.8000112.6I2380 H2383 S2391 L2392 M2397 V2398 L2399 Y2707I2380-P2395 HydrophobicContact CG1-CB 4.32Å; H2383-P2395 HydrophobicContact CB-CG 4.25Å; S2391-P2395 VanDerWaalsContact O-CD 3.29Å; S2391-P2395 WeakPolarHBondContact O-CD 3.28Å; L2392-P2395 VanDerWaalsContact O-CD 3.27Å; L2392-P2395 WeakPolarHBondContact O-CD 3.33Å; L2392-P2395 WeakPolarHBondContact O-CG 3.31Å; P2395-M2397 PolarHBondContact O-N 3.24Å; P2395-V2398 PolarHBondContact O-N 3.09Å; P2395-L2399 VanDerWaalsContact O-CB 3.29Å; P2395-L2399 WeakPolarHBondContact O-CB 3.4Å; P2395-L2399 VanDerWaalsContact O-CG 3.25Å; P2395-L2399 WeakPolarHBondContact O-CG 3.41Å; P2395-L2399 PolarHBondContact O-N 3.13Å; P2395-Y2707 VanDerWaalsContact CB-OH 3.24Å; P2395-Y2707 WeakPolarHBondContact CB-OH 3.33Å; P2395-Y2707 WeakPolarHBondContact CG-OH 3.37Å
2396L92.6Very high89.9Confident48.6 Ų48.626.9 Ų26.925%0.25415%0.147SC..Hα-helixtrans-62.5-44.8176.7-68.9-172.8000111.9L2392 P2393 Y2394 V2398 L2399 L2400 V2678L2392-L2396 HydrophobicContact CD2-CD1 3.55Å; L2392-L2396 VanDerWaalsContact CD2-CD1 3.45Å; L2392-L2396 HydrophobicContact CD2-CG 4.24Å; P2393-L2396 PolarHBondContact O-N 3.41Å; Y2394-L2396 VanDerWaalsContact C-N 3.33Å; Y2394-L2396 PolarHBondContact O-N 3.18Å; L2396-V2398 VanDerWaalsContact C-N 3.35Å; L2396-L2399 PolarHBondContact O-N 3.18Å; L2396-L2400 HydrophobicContact CB-CD1 4.44Å; L2396-L2400 HydrophobicContact CD2-CD1 4.29Å; L2396-L2400 VanDerWaalsContact O-CB 3.23Å; L2396-L2400 WeakPolarHBondContact O-CB 3.32Å; L2396-L2400 WeakPolarHBondContact O-CG 3.4Å; L2396-L2400 PolarHBondContact O-N 2.94Å; L2396-V2678 HydrophobicContact CD2-CG1 3.61Å
2397M92.4Very high89.3Confident51.4 Ų51.428.7 Ų28.725%0.25316%0.158SC..Hα-helixtrans-66.4-39.6176.6-70.3-78.1142.700111.9P2393 Y2394 P2395 W2401 G2402 F2413 F2416P2393-M2397 WeakPolarHBondContact O-CB 3.28Å; P2393-M2397 VanDerWaalsContact O-CG 3.26Å; P2393-M2397 WeakPolarHBondContact O-CG 3.39Å; P2393-M2397 PolarHBondContact O-N 3.17Å; Y2394-M2397 PolarHBondContact O-N 3.09Å; P2395-M2397 PolarHBondContact O-N 3.24Å; M2397-W2401 HydrophobicContact CE-CE3 4.21Å; M2397-W2401 HydrophobicContact CE-CZ3 4.11Å; M2397-W2401 WeakPolarHBondContact O-CA 3.39Å; M2397-W2401 VanDerWaalsContact O-CB 3.32Å; M2397-W2401 WeakPolarHBondContact O-CB 3.33Å; M2397-W2401 PolarHBondContact O-N 2.98Å; M2397-W2401 VanDerWaalsContact O-N 3.08Å; M2397-W2401 HydrophobicContact SD-CE3 4Å; M2397-W2401 HydrophobicContact SD-CZ3 4.45Å; M2397-G2402 PolarHBondContact O-N 3.16Å; M2397-F2413 HydrophobicContact CB-CE2 4.33Å; M2397-F2413 WeakPolarHBondContact O-CE2 3.31Å; M2397-F2416 HydrophobicContact CE-CD1 3.65Å; M2397-F2416 HydrophobicContact CE-CE1 3.57Å; M2397-F2416 HydrophobicContact CE-CG 4.45Å; M2397-F2416 HydrophobicContact CE-CZ 3.98Å; M2397-F2416 HydrophobicContact CG-CE1 4.21Å; M2397-F2416 HydrophobicContact SD-CD1 3.44Å; M2397-F2416 WeakPolarHBondContact SD-CD1 3.35Å; M2397-F2416 HydrophobicContact SD-CE1 4.01Å; M2397-F2416 WeakPolarHBondContact SD-CE1 3.39Å; M2397-F2416 HydrophobicContact SD-CG 4.49Å
2398V92.9Very high89Confident0.2 Ų0.229.6 Ų29.60%0.00115%0.153CC..Iπ-helixtrans-62.7-49.2175.6170.90000111.3Y2376 L2379 I2380 Y2394 P2395 L2396 G2402 M2403Y2376-V2398 HydrophobicContact CD1-CB 4.38Å; Y2376-V2398 HydrophobicContact CD1-CG1 3.84Å; Y2376-V2398 HydrophobicContact CD1-CG2 3.78Å; Y2376-V2398 HydrophobicContact CD2-CG1 4.09Å; Y2376-V2398 HydrophobicContact CE1-CG1 4.35Å; Y2376-V2398 HydrophobicContact CE1-CG2 4.26Å; Y2376-V2398 HydrophobicContact CE2-CG1 4.47Å; Y2376-V2398 HydrophobicContact CG-CG1 3.67Å; Y2376-V2398 HydrophobicContact CG-CG2 4.38Å; L2379-V2398 HydrophobicContact CB-CG2 4.13Å; L2379-V2398 HydrophobicContact CD1-CG2 3.62Å; L2379-V2398 VanDerWaalsContact CD1-CG2 3.47Å; L2379-V2398 HydrophobicContact CG-CG2 4.43Å; I2380-V2398 HydrophobicContact CD1-CG1 4.38Å; Y2394-V2398 WeakPolarHBondContact O-CG2 3.34Å; Y2394-V2398 PolarHBondContact O-N 3.07Å; Y2394-V2398 VanDerWaalsContact O-N 3.1Å; P2395-V2398 PolarHBondContact O-N 3.09Å; L2396-V2398 VanDerWaalsContact C-N 3.35Å; V2398-G2402 PolarHBondContact O-N 3.11Å; V2398-M2403 HydrophobicContact CG1-CG 4.23Å; V2398-M2403 VanDerWaalsContact O-CB 3.31Å; V2398-M2403 WeakPolarHBondContact O-CB 3.39Å; V2398-M2403 WeakPolarHBondContact O-CG 3.39Å; V2398-M2403 PolarHBondContact O-N 2.95Å
2399L92.3Very high88.8Confident16.8 Ų16.829.9 Ų29.99%0.08816%0.155CC..Iπ-helixtrans-79.9-31.3-172.9-64.1176.2000113.9P2395 L2396 V2678 F2714P2395-L2399 VanDerWaalsContact O-CB 3.29Å; P2395-L2399 WeakPolarHBondContact O-CB 3.4Å; P2395-L2399 VanDerWaalsContact O-CG 3.25Å; P2395-L2399 WeakPolarHBondContact O-CG 3.41Å; P2395-L2399 PolarHBondContact O-N 3.13Å; L2396-L2399 PolarHBondContact O-N 3.18Å; L2399-V2678 HydrophobicContact CB-CG2 4.47Å; L2399-V2678 HydrophobicContact CD1-CG1 4.4Å; L2399-V2678 HydrophobicContact CD1-CG2 4.37Å; L2399-F2714 HydrophobicContact CD1-CB 3.89Å; L2399-F2714 HydrophobicContact CD1-CD2 3.84Å; L2399-F2714 HydrophobicContact CD1-CG 4.21Å; L2399-F2714 HydrophobicContact CD2-CB 3.74Å; L2399-F2714 HydrophobicContact CG-CB 4.35Å
2400L90.5Very high88.6Confident63.4 Ų63.428.3 Ų28.333%0.33215%0.149SC..Iπ-helixtrans-103.4-14-175.2-56.5178000114.4L2396 L2404 I2675 V2678L2396-L2400 HydrophobicContact CB-CD1 4.44Å; L2396-L2400 HydrophobicContact CD2-CD1 4.29Å; L2396-L2400 VanDerWaalsContact O-CB 3.23Å; L2396-L2400 WeakPolarHBondContact O-CB 3.32Å; L2396-L2400 WeakPolarHBondContact O-CG 3.4Å; L2396-L2400 PolarHBondContact O-N 2.94Å; L2400-L2404 WeakPolarHBondContact O-CD1 3.47Å; L2400-I2675 HydrophobicContact CD2-CG1 4.23Å; L2400-V2678 HydrophobicContact CD1-CG1 4.34Å; L2400-V2678 HydrophobicContact CD2-CB 4.24Å; L2400-V2678 HydrophobicContact CD2-CG1 4.18Å; L2400-V2678 HydrophobicContact CD2-CG2 4.32Å; L2400-V2678 HydrophobicContact CG-CG1 4.26Å
2401W91.8Very high88.4Confident81.75 Ų81.7529.3 Ų29.331%0.3115%0.152SC..Iπ-helixtrans-125.2-58.2176.2-173-2.8000111.7M2397 L2404 S2405 F2413M2397-W2401 HydrophobicContact CE-CE3 4.21Å; M2397-W2401 HydrophobicContact CE-CZ3 4.11Å; M2397-W2401 WeakPolarHBondContact O-CA 3.39Å; M2397-W2401 VanDerWaalsContact O-CB 3.32Å; M2397-W2401 WeakPolarHBondContact O-CB 3.33Å; M2397-W2401 PolarHBondContact O-N 2.98Å; M2397-W2401 VanDerWaalsContact O-N 3.08Å; M2397-W2401 HydrophobicContact SD-CE3 4Å; M2397-W2401 HydrophobicContact SD-CZ3 4.45Å; W2401-L2404 PolarHBondContact O-N 3.17Å; W2401-S2405 WeakPolarHBondContact O-CB 3.22Å; W2401-S2405 PolarHBondContact O-N 3.01Å; W2401-S2405 VanDerWaalsContact O-N 3.08Å; W2401-F2413 HydrophobicContact CB-CD2 4.35Å; W2401-F2413 HydrophobicContact CD2-CB 4.4Å; W2401-F2413 AromaticContact CD2-CD2 3.94Å; W2401-F2413 HydrophobicContact CD2-CD2 4.04Å; W2401-F2413 HydrophobicContact CE3-CD2 4.34Å; W2401-F2413 AromaticContact CG-CD2 4Å; W2401-F2413 HydrophobicContact CG-CD2 4.04Å; W2401-F2413 HydrophobicContact CZ2-CB 4.22Å
2402G90.6Very high88.2Confident0.5 Ų0.533 Ų331%0.00518%0.175CC..Iπ-helixtrans-56.8-61.5-176.600000112.7Y2376 M2397 V2398 L2404 S2405Y2376-G2402 WeakPolarHBondContact OH-CA 3.4Å; M2397-G2402 PolarHBondContact O-N 3.16Å; V2398-G2402 PolarHBondContact O-N 3.11Å; G2402-L2404 VanDerWaalsContact C-N 3.28Å; G2402-L2404 PolarHBondContact O-N 3.16Å; G2402-S2405 WeakPolarHBondContact O-CB 3.39Å; G2402-S2405 PolarHBondContact O-N 3.07Å; G2402-S2405 PolarHBondContact O-OG 3.02Å
2403M91Very high88.2Confident9.75 Ų9.7531.4 Ų31.45%0.04817%0.167CC..THydrogen-bonded Turntrans-72.3-13.1-176.7-74-65.4-70.900115L2373 Y2376 V2398 S2715 A2718 R2722L2373-M2403 HydrophobicContact CD2-SD 4.45Å; Y2376-M2403 HydrophobicContact CD2-CG 4.03Å; Y2376-M2403 HydrophobicContact CD2-SD 3.64Å; Y2376-M2403 VanDerWaalsContact CD2-SD 3.5Å; Y2376-M2403 HydrophobicContact CE2-CG 3.89Å; Y2376-M2403 HydrophobicContact CE2-SD 3.49Å; Y2376-M2403 VanDerWaalsContact CE2-SD 3.54Å; Y2376-M2403 WeakPolarHBondContact CE2-SD 3.38Å; V2398-M2403 HydrophobicContact CG1-CG 4.23Å; V2398-M2403 VanDerWaalsContact O-CB 3.31Å; V2398-M2403 WeakPolarHBondContact O-CB 3.39Å; V2398-M2403 WeakPolarHBondContact O-CG 3.39Å; V2398-M2403 PolarHBondContact O-N 2.95Å; M2403-S2715 VanDerWaalsContact CE-O 3.29Å; M2403-S2715 WeakPolarHBondContact CE-O 3.35Å; M2403-A2718 HydrophobicContact CB-CB 3.81Å; M2403-A2718 WeakPolarHBondContact O-CB 3.4Å; M2403-R2722 VanDerWaalsContact O-CD 3.3Å; M2403-R2722 WeakPolarHBondContact O-CD 3.24Å; M2403-R2722 PolarHBondContact O-NE 3.26Å; M2403-R2722 PolarHBondContact O-NH1 2.83Å; M2403-R2722 PolarHBondContact O-NH2 3.43Å; M2403-R2722 PolarHBondContact SD-NH2 3.48Å
2404L89.2Confident88.2Confident1.75 Ų1.7529.9 Ų29.91%0.00916%0.156CC..THydrogen-bonded Turntrans-97.4-10.4174.9-65.8175.4000112.8L2400 W2401 G2402 F2584 M2588 F2671 A2718 I2721L2400-L2404 WeakPolarHBondContact O-CD1 3.47Å; W2401-L2404 PolarHBondContact O-N 3.17Å; G2402-L2404 VanDerWaalsContact C-N 3.28Å; G2402-L2404 PolarHBondContact O-N 3.16Å; L2404-F2584 HydrophobicContact CB-CE1 4.07Å; L2404-F2584 HydrophobicContact CB-CZ 4.11Å; L2404-M2588 HydrophobicContact CB-CE 3.95Å; L2404-M2588 HydrophobicContact CB-SD 4.03Å; L2404-M2588 HydrophobicContact CD2-CE 3.51Å; L2404-M2588 HydrophobicContact CD2-SD 4.21Å; L2404-M2588 HydrophobicContact CG-CE 4.32Å; L2404-M2588 WeakPolarHBondContact O-CE 3.31Å; L2404-M2588 VanDerWaalsContact O-CG 3.28Å; L2404-M2588 WeakPolarHBondContact O-CG 3.38Å; L2404-F2671 HydrophobicContact CD1-CD2 4.43Å; L2404-F2671 HydrophobicContact CD1-CE2 4.04Å; L2404-A2718 HydrophobicContact CD2-CB 3.65Å; L2404-A2718 HydrophobicContact CG-CB 4.19Å; L2404-I2721 HydrophobicContact CD2-CB 4.3Å; L2404-I2721 HydrophobicContact CD2-CD1 4.23Å; L2404-I2721 HydrophobicContact CD2-CG2 3.99Å
2405S85.5Confident88.1Confident7 Ų733.3 Ų33.35%0.04917%0.173CC..  trans-72.5145.2176.4680000112.7W2401 G2402 R2408 P2409 R2722W2401-S2405 WeakPolarHBondContact O-CB 3.22Å; W2401-S2405 PolarHBondContact O-N 3.01Å; W2401-S2405 VanDerWaalsContact O-N 3.08Å; G2402-S2405 WeakPolarHBondContact O-CB 3.39Å; G2402-S2405 PolarHBondContact O-N 3.07Å; G2402-S2405 PolarHBondContact O-OG 3.02Å; S2405-R2408 PolarHBondContact OG-O 3.48Å; S2405-P2409 WeakPolarHBondContact OG-CA 3.37Å; S2405-P2409 WeakPolarHBondContact OG-CD 3.36Å; S2405-P2409 VanDerWaalsContact OG-N 3.11Å; S2405-R2722 WeakPolarHBondContact O-CD 3.44Å; S2405-R2722 PolarHBondContact O-NH1 3.23Å
2406V79.1Confident88.2Confident18.5 Ų18.537.4 Ų37.411%0.11219%0.191CC..SBendtrans-134137.6-177.6177.80000109.5R2408 M2588 Y2593 N2594 R2722V2406-R2408 VanDerWaalsContact C-N 3.25Å; V2406-M2588 HydrophobicContact CG2-CG 4.09Å; V2406-Y2593 VanDerWaalsContact CG1-CB 3.44Å; V2406-Y2593 HydrophobicContact CG1-CD2 4.48Å; V2406-Y2593 HydrophobicContact CG1-CG 4.32Å; V2406-N2594 VanDerWaalsContact CG1-OD1 3.26Å; V2406-N2594 WeakPolarHBondContact CG1-OD1 3.3Å; V2406-R2722 HydrophobicContact CG2-CB 3.91Å; V2406-R2722 HydrophobicContact CG2-CG 3.6Å
2407P71.4Confident88.2Confident70.75 Ų70.7535.2 Ų35.246%0.45918%0.18SC..SBendcis-77-14.9-9.428.5-27.4000112.8Y2593P2407-Y2593 HydrophobicContact CG-CD1 3.88Å; P2407-Y2593 HydrophobicContact CG-CE1 4.27Å; P2407-Y2593 HydrophobicContact CG-CG 4.22Å
2408R77.4Confident88.3Confident57.75 Ų57.7533.2 Ų33.222%0.21817%0.17CC..SBendtrans-146.6155-175.1-163.4-178.2-80.9-136.5-3.3110.4D1877 S2405 V2406 L2489D1877-R2408 IonicContact OD1-NH2 3.39Å; D1877-R2408 PolarHBondContact OD1-NH2 2.89Å; D1877-R2408 IonicContact OD2-NH2 2.92Å; D1877-R2408 PolarHBondContact OD2-NH2 2.81Å; S2405-R2408 PolarHBondContact OG-O 3.48Å; V2406-R2408 VanDerWaalsContact C-N 3.25Å; R2408-L2489 VanDerWaalsContact NH1-CD2 3.26Å; R2408-L2489 PolarHBondContact NH1-O 3.42Å
2409P84.3Confident88.3Confident12.25 Ų12.2536 Ų368%0.0819%0.186CC..  trans-60.4139.9173.4-1928.1000112.9Y2376 S2405 F2413 W2414Y2376-P2409 WeakPolarHBondContact OH-CG 3.37Å; S2405-P2409 WeakPolarHBondContact OG-CA 3.37Å; S2405-P2409 WeakPolarHBondContact OG-CD 3.36Å; S2405-P2409 VanDerWaalsContact OG-N 3.11Å; P2409-F2413 HydrophobicContact CB-CB 4.36Å; P2409-F2413 HydrophobicContact CB-CD1 3.56Å; P2409-F2413 VanDerWaalsContact CB-CD1 3.43Å; P2409-F2413 HydrophobicContact CB-CE1 4.1Å; P2409-F2413 HydrophobicContact CB-CG 4.12Å; P2409-F2413 HydrophobicContact CG-CD1 4.23Å; P2409-F2413 HydrophobicContact CG-CE1 4.35Å; P2409-W2414 HydrophobicContact CB-CZ2 4.45Å; P2409-W2414 HydrophobicContact CG-CZ2 4.24Å
2410T84.9Confident88.5Confident51.5 Ų51.537.2 Ų37.232%0.31619%0.19SC..  trans-65.5152.1-178.354.60000111.7T2412 F2413 W2414T2410-T2412 WeakPolarHBondContact CB-OG1 3.43Å; T2410-T2412 PolarHBondContact O-N 3.08Å; T2410-T2412 VanDerWaalsContact O-N 3.12Å; T2410-T2412 PolarHBondContact OG1-OG1 3.19Å; T2410-F2413 WeakPolarHBondContact O-CB 3.43Å; T2410-F2413 PolarHBondContact O-N 3.11Å; T2410-F2413 PolarHBondContact OG1-N 3.24Å; T2410-W2414 PolarHBondContact O-N 3.29Å
2411K87.8Confident88.6Confident43.75 Ų43.7534.2 Ų34.219%0.1918%0.175CC..Hα-helixtrans-48.1-39169.3-179.2-174.9178.2-177.50112.3F2413 W2414 I2415 W2490 D2492 E2495K2411-F2413 VanDerWaalsContact C-N 3.33Å; K2411-F2413 PolarHBondContact O-N 3.26Å; K2411-W2414 PolarHBondContact O-N 3.25Å; K2411-I2415 HydrophobicContact CG-CD1 3.91Å; K2411-I2415 VanDerWaalsContact O-CG1 3.3Å; K2411-I2415 WeakPolarHBondContact O-CG1 3.33Å; K2411-I2415 PolarHBondContact O-N 3.07Å; K2411-I2415 VanDerWaalsContact O-N 3.1Å; K2411-W2490 WeakPolarHBondContact CD-O 3.45Å; K2411-W2490 HydrophobicContact CG-CZ2 4.3Å; K2411-D2492 VanDerWaalsContact CB-OD1 3.32Å; K2411-D2492 WeakPolarHBondContact CB-OD1 3.25Å; K2411-D2492 VanDerWaalsContact CD-OD1 3.27Å; K2411-D2492 WeakPolarHBondContact CD-OD1 3.3Å; K2411-D2492 WeakPolarHBondContact CD-OD2 3.46Å; K2411-D2492 WeakPolarHBondContact CE-OD2 3.47Å; K2411-D2492 IonicContact NZ-OD2 2.77Å; K2411-D2492 PolarHBondContact NZ-OD2 2.74Å; K2411-E2495 IonicContact NZ-OE1 3.02Å; K2411-E2495 PolarHBondContact NZ-OE1 3.08Å; K2411-E2495 IonicContact NZ-OE2 3.07Å; K2411-E2495 PolarHBondContact NZ-OE2 3.18Å
2412T88.2Confident88.7Confident80.75 Ų80.7534 Ų3450%0.49518%0.177SC..Hα-helixtrans-63.7-36176.752.30000114.2T2410 F2416T2410-T2412 WeakPolarHBondContact CB-OG1 3.43Å; T2410-T2412 PolarHBondContact O-N 3.08Å; T2410-T2412 VanDerWaalsContact O-N 3.12Å; T2410-T2412 PolarHBondContact OG1-OG1 3.19Å; T2412-F2416 VanDerWaalsContact O-CB 3.27Å; T2412-F2416 WeakPolarHBondContact O-CB 3.38Å; T2412-F2416 PolarHBondContact O-N 3.34Å
2413F90.9Very high88.9Confident1.25 Ų1.2538.2 Ų38.21%0.00520%0.199CC..Hα-helixtrans-63.2-48.7176.4164.2-92000110.6Y2376 M2397 W2401 P2409 T2410 K2411 I2415 F2416 L2417Y2376-F2413 AromaticContact CE1-CE1 3.86Å; Y2376-F2413 HydrophobicContact CE1-CE1 3.86Å; Y2376-F2413 AromaticContact CE1-CZ 3.76Å; Y2376-F2413 HydrophobicContact CE1-CZ 3.76Å; M2397-F2413 HydrophobicContact CB-CE2 4.33Å; M2397-F2413 WeakPolarHBondContact O-CE2 3.31Å; W2401-F2413 HydrophobicContact CB-CD2 4.35Å; W2401-F2413 HydrophobicContact CD2-CB 4.4Å; W2401-F2413 AromaticContact CD2-CD2 3.94Å; W2401-F2413 HydrophobicContact CD2-CD2 4.04Å; W2401-F2413 HydrophobicContact CE3-CD2 4.34Å; W2401-F2413 AromaticContact CG-CD2 4Å; W2401-F2413 HydrophobicContact CG-CD2 4.04Å; W2401-F2413 HydrophobicContact CZ2-CB 4.22Å; P2409-F2413 HydrophobicContact CB-CB 4.36Å; P2409-F2413 HydrophobicContact CB-CD1 3.56Å; P2409-F2413 VanDerWaalsContact CB-CD1 3.43Å; P2409-F2413 HydrophobicContact CB-CE1 4.1Å; P2409-F2413 HydrophobicContact CB-CG 4.12Å; P2409-F2413 HydrophobicContact CG-CD1 4.23Å; P2409-F2413 HydrophobicContact CG-CE1 4.35Å; T2410-F2413 WeakPolarHBondContact O-CB 3.43Å; T2410-F2413 PolarHBondContact O-N 3.11Å; T2410-F2413 PolarHBondContact OG1-N 3.24Å; K2411-F2413 VanDerWaalsContact C-N 3.33Å; K2411-F2413 PolarHBondContact O-N 3.26Å; F2413-I2415 PolarHBondContact O-N 3.24Å; F2413-F2416 PolarHBondContact O-N 3Å; F2413-L2417 HydrophobicContact CE1-CD2 4.12Å; F2413-L2417 HydrophobicContact CZ-CD2 4.08Å; F2413-L2417 VanDerWaalsContact O-CB 3.26Å; F2413-L2417 WeakPolarHBondContact O-CB 3.41Å; F2413-L2417 PolarHBondContact O-N 3.08Å
2414W92.8Very high88.9Confident6.25 Ų6.2537.8 Ų37.82%0.02420%0.197CC..Hα-helixtrans-67.4-38-179.8-67.8112.6000113.2E2372 C2375 Y2376 P2409 T2410 K2411 L2417 I2418 L2477 H2480 W2490E2372-W2414 HydrophobicContact CB-CH2 4.44Å; E2372-W2414 HydrophobicContact CB-CZ2 4.38Å; C2375-W2414 HydrophobicContact CB-CH2 4.35Å; C2375-W2414 HydrophobicContact CB-CZ3 4.2Å; Y2376-W2414 HydrophobicContact CD1-CH2 4.36Å; Y2376-W2414 AromaticContact CE1-CH2 3.75Å; Y2376-W2414 HydrophobicContact CE1-CH2 3.75Å; Y2376-W2414 HydrophobicContact CE1-CZ2 4.32Å; Y2376-W2414 HydrophobicContact CE1-CZ3 4.31Å; P2409-W2414 HydrophobicContact CB-CZ2 4.45Å; P2409-W2414 HydrophobicContact CG-CZ2 4.24Å; T2410-W2414 PolarHBondContact O-N 3.29Å; K2411-W2414 PolarHBondContact O-N 3.25Å; W2414-L2417 HydrophobicContact CE3-CD2 4.06Å; W2414-L2417 HydrophobicContact CZ3-CD2 4.06Å; W2414-L2417 PolarHBondContact O-N 3.2Å; W2414-I2418 WeakPolarHBondContact O-CG1 3.36Å; W2414-I2418 PolarHBondContact O-N 3.16Å; W2414-I2418 VanDerWaalsContact O-N 3.15Å; W2414-L2477 HydrophobicContact CE3-CD2 4.01Å; W2414-L2477 HydrophobicContact CZ3-CD2 3.75Å; W2414-H2480 AromaticContact CD2-CD2 3.98Å; W2414-H2480 AromaticContact CE2-CD2 3.78Å; W2414-H2480 AromaticContact CE2-NE2 3.59Å; W2414-H2480 AromaticContact CE3-CD2 3.89Å; W2414-H2480 AromaticContact CH2-CD2 3.53Å; W2414-H2480 VanDerWaalsContact CH2-CD2 3.41Å; W2414-H2480 WeakPolarHBondContact CH2-CD2 3.46Å; W2414-H2480 AromaticContact CH2-NE2 3.61Å; W2414-H2480 AromaticContact CZ2-CD2 3.55Å; W2414-H2480 VanDerWaalsContact CZ2-CD2 3.49Å; W2414-H2480 WeakPolarHBondContact CZ2-CD2 3.32Å; W2414-H2480 AromaticContact CZ2-NE2 3.22Å; W2414-H2480 VanDerWaalsContact CZ2-NE2 3.27Å; W2414-H2480 WeakPolarHBondContact CZ2-NE2 3.3Å; W2414-H2480 AromaticContact CZ3-CD2 3.74Å; W2414-W2490 HydrophobicContact CB-CH2 3.77Å; W2414-W2490 HydrophobicContact CB-CZ3 3.71Å; W2414-W2490 HydrophobicContact CG-CZ3 4.21Å
2415I92Very high89.1Confident70.25 Ų70.2539.6 Ų39.636%0.3621%0.206SC..Hα-helixtrans-64.9-49.7175.3-67.9169.5000110.4K2411 F2413 L2417 I2418 T2419 W2490K2411-I2415 HydrophobicContact CG-CD1 3.91Å; K2411-I2415 VanDerWaalsContact O-CG1 3.3Å; K2411-I2415 WeakPolarHBondContact O-CG1 3.33Å; K2411-I2415 PolarHBondContact O-N 3.07Å; K2411-I2415 VanDerWaalsContact O-N 3.1Å; F2413-I2415 PolarHBondContact O-N 3.24Å; I2415-L2417 VanDerWaalsContact C-N 3.27Å; I2415-L2417 PolarHBondContact O-N 3.2Å; I2415-I2418 PolarHBondContact O-N 3.3Å; I2415-T2419 HydrophobicContact CG2-CG2 4.32Å; I2415-T2419 WeakPolarHBondContact O-CG2 3.38Å; I2415-T2419 PolarHBondContact O-N 3.32Å; I2415-T2419 PolarHBondContact O-OG1 3.13Å; I2415-T2419 VanDerWaalsContact O-OG1 3.07Å; I2415-W2490 HydrophobicContact CD1-CZ2 4.11Å; I2415-W2490 HydrophobicContact CG1-CH2 3.99Å; I2415-W2490 HydrophobicContact CG1-CZ2 3.76Å
2416F93.4Very high89.4Confident92.25 Ų92.2543.2 Ų43.241%0.40523%0.227SC..Hα-helixtrans-57.3-42.3178.3179.3-93.3000111.7M2397 T2412 F2413 T2419 Y2420M2397-F2416 HydrophobicContact CE-CD1 3.65Å; M2397-F2416 HydrophobicContact CE-CE1 3.57Å; M2397-F2416 HydrophobicContact CE-CG 4.45Å; M2397-F2416 HydrophobicContact CE-CZ 3.98Å; M2397-F2416 HydrophobicContact CG-CE1 4.21Å; M2397-F2416 HydrophobicContact SD-CD1 3.44Å; M2397-F2416 WeakPolarHBondContact SD-CD1 3.35Å; M2397-F2416 HydrophobicContact SD-CE1 4.01Å; M2397-F2416 WeakPolarHBondContact SD-CE1 3.39Å; M2397-F2416 HydrophobicContact SD-CG 4.49Å; T2412-F2416 VanDerWaalsContact O-CB 3.27Å; T2412-F2416 WeakPolarHBondContact O-CB 3.38Å; T2412-F2416 PolarHBondContact O-N 3.34Å; F2413-F2416 PolarHBondContact O-N 3Å; F2416-T2419 WeakPolarHBondContact CA-OG1 3.41Å; F2416-T2419 PolarHBondContact O-N 3.12Å; F2416-T2419 PolarHBondContact O-OG1 3.11Å; F2416-T2419 VanDerWaalsContact O-OG1 3.1Å; F2416-Y2420 HydrophobicContact CE1-CG 4.26Å; F2416-Y2420 VanDerWaalsContact O-CB 3.26Å; F2416-Y2420 WeakPolarHBondContact O-CB 3.43Å; F2416-Y2420 PolarHBondContact O-N 3.11Å
2417L93Very high90Very high2.25 Ų2.2544.7 Ų44.71%0.01223%0.234CC..Hα-helixtrans-63.5-44.9179.9-171.861.6000112.4L2379 Y2394 F2413 W2414 I2415 Y2420 T2421 L2477L2379-L2417 HydrophobicContact CD1-CD1 4.25Å; L2379-L2417 HydrophobicContact CD1-CD2 3.72Å; L2379-L2417 HydrophobicContact CD1-CG 4.43Å; L2379-L2417 HydrophobicContact CD2-CD1 3.81Å; L2379-L2417 HydrophobicContact CD2-CD2 4.31Å; L2379-L2417 HydrophobicContact CD2-CG 4.41Å; Y2394-L2417 HydrophobicContact CD1-CD1 4.17Å; F2413-L2417 HydrophobicContact CE1-CD2 4.12Å; F2413-L2417 HydrophobicContact CZ-CD2 4.08Å; F2413-L2417 VanDerWaalsContact O-CB 3.26Å; F2413-L2417 WeakPolarHBondContact O-CB 3.41Å; F2413-L2417 PolarHBondContact O-N 3.08Å; W2414-L2417 HydrophobicContact CE3-CD2 4.06Å; W2414-L2417 HydrophobicContact CZ3-CD2 4.06Å; W2414-L2417 PolarHBondContact O-N 3.2Å; I2415-L2417 VanDerWaalsContact C-N 3.27Å; I2415-L2417 PolarHBondContact O-N 3.2Å; L2417-Y2420 PolarHBondContact O-N 2.92Å; L2417-T2421 WeakPolarHBondContact O-CG2 3.41Å; L2417-T2421 PolarHBondContact O-N 3.3Å; L2417-T2421 PolarHBondContact O-OG1 3.12Å; L2417-L2477 HydrophobicContact CD2-CD1 4.27Å; L2417-L2477 HydrophobicContact CD2-CD2 3.65Å; L2417-L2477 VanDerWaalsContact CD2-CD2 3.47Å; L2417-L2477 HydrophobicContact CD2-CG 4.4Å; L2417-L2477 HydrophobicContact CG-CD1 4.01Å; L2417-L2477 HydrophobicContact CG-CD2 4.22Å
2418I94.1Very high90.9Very high8.75 Ų8.7542 Ų425%0.04522%0.215CC..Hα-helixtrans-63.2-50176.3-69166.1000110.5W2414 I2415 Y2420 T2421 E2422 L2474 L2477 F2478W2414-I2418 WeakPolarHBondContact O-CG1 3.36Å; W2414-I2418 PolarHBondContact O-N 3.16Å; W2414-I2418 VanDerWaalsContact O-N 3.15Å; I2415-I2418 PolarHBondContact O-N 3.3Å; I2418-Y2420 VanDerWaalsContact C-N 3.27Å; I2418-Y2420 PolarHBondContact O-N 3.17Å; I2418-T2421 WeakPolarHBondContact CA-OG1 3.4Å; I2418-T2421 PolarHBondContact O-N 3.17Å; I2418-T2421 VanDerWaalsContact O-N 3.1Å; I2418-T2421 PolarHBondContact O-OG1 3.18Å; I2418-E2422 HydrophobicContact CG2-CG 4.48Å; I2418-E2422 WeakPolarHBondContact CG2-OE1 3.44Å; I2418-E2422 WeakPolarHBondContact O-CG 3.29Å; I2418-E2422 PolarHBondContact O-N 3.17Å; I2418-L2474 HydrophobicContact CG2-CD1 4.37Å; I2418-L2477 HydrophobicContact CD1-CB 4.39Å; I2418-L2477 HydrophobicContact CG1-CB 3.84Å; I2418-L2477 HydrophobicContact CG1-CD1 4.21Å; I2418-F2478 HydrophobicContact CG2-CE1 4.39Å; I2418-F2478 HydrophobicContact CG2-CE2 4.26Å; I2418-F2478 HydrophobicContact CG2-CZ 3.88Å
2419T94.4Very high91.6Very high57.75 Ų57.7545.4 Ų45.435%0.35423%0.229SC..Hα-helixtrans-63.1-35.2179.636.50000112.1I2415 F2416 E2422 I2423I2415-T2419 HydrophobicContact CG2-CG2 4.32Å; I2415-T2419 WeakPolarHBondContact O-CG2 3.38Å; I2415-T2419 PolarHBondContact O-N 3.32Å; I2415-T2419 PolarHBondContact O-OG1 3.13Å; I2415-T2419 VanDerWaalsContact O-OG1 3.07Å; F2416-T2419 WeakPolarHBondContact CA-OG1 3.41Å; F2416-T2419 PolarHBondContact O-N 3.12Å; F2416-T2419 PolarHBondContact O-OG1 3.11Å; F2416-T2419 VanDerWaalsContact O-OG1 3.1Å; T2419-E2422 PolarHBondContact O-N 3.01Å; T2419-I2423 HydrophobicContact CG2-CD1 3.93Å; T2419-I2423 WeakPolarHBondContact O-CB 3.26Å; T2419-I2423 WeakPolarHBondContact O-CD1 3.34Å; T2419-I2423 VanDerWaalsContact O-CG1 3.24Å; T2419-I2423 WeakPolarHBondContact O-CG1 3.44Å; T2419-I2423 PolarHBondContact O-N 3.31Å
2420Y95.1Very high91.9Very high43.25 Ų43.2548.3 Ų48.317%0.1724%0.243CC..Hα-helixtrans-67.7-38.4174.8-173.6-114.7000112.1L2390 P2393 Y2394 F2416 L2417 I2418 E2422 I2423 V2424L2390-Y2420 PolarHBondContact O-OH 3.08Å; L2390-Y2420 VanDerWaalsContact O-OH 3.04Å; P2393-Y2420 HydrophobicContact CB-CE1 3.82Å; P2393-Y2420 HydrophobicContact CG-CE1 4.24Å; P2393-Y2420 VanDerWaalsContact CG-OH 3.26Å; P2393-Y2420 WeakPolarHBondContact CG-OH 3.42Å; Y2394-Y2420 AromaticContact CD1-CD1 3.85Å; Y2394-Y2420 HydrophobicContact CD1-CD1 3.85Å; Y2394-Y2420 AromaticContact CD1-CE1 3.93Å; Y2394-Y2420 HydrophobicContact CD1-CE1 3.97Å; Y2394-Y2420 AromaticContact CE1-CD1 3.38Å; Y2394-Y2420 HydrophobicContact CE1-CD1 3.38Å; Y2394-Y2420 VanDerWaalsContact CE1-CD1 3.42Å; Y2394-Y2420 AromaticContact CE1-CE1 3.61Å; Y2394-Y2420 HydrophobicContact CE1-CE1 3.61Å; Y2394-Y2420 HydrophobicContact CE1-CG 4.46Å; Y2394-Y2420 AromaticContact CZ-CE1 3.99Å; F2416-Y2420 HydrophobicContact CE1-CG 4.26Å; F2416-Y2420 VanDerWaalsContact O-CB 3.26Å; F2416-Y2420 WeakPolarHBondContact O-CB 3.43Å; F2416-Y2420 PolarHBondContact O-N 3.11Å; L2417-Y2420 PolarHBondContact O-N 2.92Å; I2418-Y2420 VanDerWaalsContact C-N 3.27Å; I2418-Y2420 PolarHBondContact O-N 3.17Å; Y2420-E2422 PolarHBondContact O-N 3.39Å; Y2420-I2423 PolarHBondContact O-N 2.99Å; Y2420-V2424 HydrophobicContact CD1-CG2 4.37Å; Y2420-V2424 HydrophobicContact CD2-CG2 4.38Å; Y2420-V2424 HydrophobicContact CE1-CG2 3.94Å; Y2420-V2424 HydrophobicContact CE2-CG2 3.98Å; Y2420-V2424 WeakPolarHBondContact O-CG2 3.39Å; Y2420-V2424 PolarHBondContact O-N 3.07Å
2421T93.4Very high92Very high0 Ų048.3 Ų48.30%024%0.239CC..Hα-helixtrans-63.4-41.8172.349.30000113.1Y2394 L2417 I2418 I2423 V2424 I2425 Q2473 L2474 L2477Y2394-T2421 HydrophobicContact CE1-CG2 3.6Å; L2417-T2421 WeakPolarHBondContact O-CG2 3.41Å; L2417-T2421 PolarHBondContact O-N 3.3Å; L2417-T2421 PolarHBondContact O-OG1 3.12Å; I2418-T2421 WeakPolarHBondContact CA-OG1 3.4Å; I2418-T2421 PolarHBondContact O-N 3.17Å; I2418-T2421 VanDerWaalsContact O-N 3.1Å; I2418-T2421 PolarHBondContact O-OG1 3.18Å; T2421-I2423 PolarHBondContact O-N 3.21Å; T2421-V2424 PolarHBondContact O-N 3.16Å; T2421-I2425 WeakPolarHBondContact O-CD1 3.32Å; T2421-I2425 VanDerWaalsContact O-CG1 3.29Å; T2421-I2425 WeakPolarHBondContact O-CG1 3.38Å; T2421-I2425 PolarHBondContact O-N 3.29Å; T2421-Q2473 HydrophobicContact CG2-CG 4.38Å; T2421-L2474 WeakPolarHBondContact OG1-CD1 3.38Å; T2421-L2477 HydrophobicContact CG2-CD1 3.94Å
2422E94Very high91.9Very high77 Ų7747.7 Ų47.736%0.3624%0.237SC..Hα-helixtrans-62.1-44.8176.3-68.8167.6170.600111I2418 T2419 Y2420 V2424 I2425 V2426 L2474I2418-E2422 HydrophobicContact CG2-CG 4.48Å; I2418-E2422 WeakPolarHBondContact CG2-OE1 3.44Å; I2418-E2422 WeakPolarHBondContact O-CG 3.29Å; I2418-E2422 PolarHBondContact O-N 3.17Å; T2419-E2422 PolarHBondContact O-N 3.01Å; Y2420-E2422 PolarHBondContact O-N 3.39Å; E2422-V2424 PolarHBondContact O-N 2.86Å; E2422-I2425 PolarHBondContact O-N 3.18Å; E2422-V2426 VanDerWaalsContact O-CG2 3.31Å; E2422-V2426 WeakPolarHBondContact O-CG2 3.45Å; E2422-V2426 PolarHBondContact O-N 3.24Å; E2422-L2474 HydrophobicContact CG-CD1 3.92Å
2423I94.1Very high91.8Very high89.75 Ų89.7548.5 Ų48.546%0.4623%0.233SC..Hα-helixtrans-61.4-44.8176.2-70.7164.7000111.7T2419 Y2420 T2421 I2425 V2426 I2427T2419-I2423 HydrophobicContact CG2-CD1 3.93Å; T2419-I2423 WeakPolarHBondContact O-CB 3.26Å; T2419-I2423 WeakPolarHBondContact O-CD1 3.34Å; T2419-I2423 VanDerWaalsContact O-CG1 3.24Å; T2419-I2423 WeakPolarHBondContact O-CG1 3.44Å; T2419-I2423 PolarHBondContact O-N 3.31Å; Y2420-I2423 PolarHBondContact O-N 2.99Å; T2421-I2423 PolarHBondContact O-N 3.21Å; I2423-I2425 PolarHBondContact O-N 3.21Å; I2423-V2426 PolarHBondContact O-N 3.18Å; I2423-I2427 HydrophobicContact CG2-CD1 3.68Å; I2423-I2427 HydrophobicContact CG2-CG1 4.36Å; I2423-I2427 WeakPolarHBondContact O-CB 3.35Å; I2423-I2427 VanDerWaalsContact O-CG1 3.29Å; I2423-I2427 WeakPolarHBondContact O-CG1 3.31Å; I2423-I2427 PolarHBondContact O-N 3.14Å
2424V92.3Very high91Very high1.75 Ų1.7555.9 Ų55.91%0.01127%0.266CS..Hα-helixtrans-64.3-40.3179.2169.30000111.5L2390 Y2394 Y2420 T2421 E2422 I2427 K2428L2390-V2424 HydrophobicContact CB-CG1 4.44Å; L2390-V2424 HydrophobicContact CD2-CG2 4.48Å; Y2394-V2424 WeakPolarHBondContact OH-CB 3.42Å; Y2394-V2424 WeakPolarHBondContact OH-CG2 3.4Å; Y2420-V2424 HydrophobicContact CD1-CG2 4.37Å; Y2420-V2424 HydrophobicContact CD2-CG2 4.38Å; Y2420-V2424 HydrophobicContact CE1-CG2 3.94Å; Y2420-V2424 HydrophobicContact CE2-CG2 3.98Å; Y2420-V2424 WeakPolarHBondContact O-CG2 3.39Å; Y2420-V2424 PolarHBondContact O-N 3.07Å; T2421-V2424 PolarHBondContact O-N 3.16Å; E2422-V2424 PolarHBondContact O-N 2.86Å; V2424-I2427 PolarHBondContact O-N 3.36Å; V2424-K2428 HydrophobicContact CG1-CD 4.35Å; V2424-K2428 HydrophobicContact CG1-CG 4.46Å; V2424-K2428 WeakPolarHBondContact O-CB 3.4Å; V2424-K2428 WeakPolarHBondContact O-CG 3.4Å; V2424-K2428 PolarHBondContact O-N 3.13Å
2425I92.5Very high90.5Very high38.25 Ų38.2562 Ų6220%0.19629%0.293CS..Hα-helixtrans-62.3-46174.9-68164000110.6T2421 E2422 I2423 I2427 K2428 Y2429 D2470 L2474T2421-I2425 WeakPolarHBondContact O-CD1 3.32Å; T2421-I2425 VanDerWaalsContact O-CG1 3.29Å; T2421-I2425 WeakPolarHBondContact O-CG1 3.38Å; T2421-I2425 PolarHBondContact O-N 3.29Å; E2422-I2425 PolarHBondContact O-N 3.18Å; I2423-I2425 PolarHBondContact O-N 3.21Å; I2425-I2427 PolarHBondContact O-N 3Å; I2425-K2428 PolarHBondContact O-N 3.19Å; I2425-Y2429 VanDerWaalsContact O-CB 3.3Å; I2425-Y2429 WeakPolarHBondContact O-CB 3.39Å; I2425-Y2429 PolarHBondContact O-N 3.22Å; I2425-D2470 HydrophobicContact CD1-CB 3.94Å; I2425-D2470 HydrophobicContact CG1-CB 3.6Å; I2425-L2474 HydrophobicContact CD1-CB 4.43Å; I2425-L2474 HydrophobicContact CD1-CD2 3.99Å
2426V93.2Very high90Very high83 Ų8360.7 Ų60.750%0.50329%0.285SS..Hα-helixtrans-62.5-43.7178170.20000111.5E2422 I2423 Y2429 I2430E2422-V2426 VanDerWaalsContact O-CG2 3.31Å; E2422-V2426 WeakPolarHBondContact O-CG2 3.45Å; E2422-V2426 PolarHBondContact O-N 3.24Å; I2423-V2426 PolarHBondContact O-N 3.18Å; V2426-Y2429 PolarHBondContact O-N 3.16Å; V2426-I2430 HydrophobicContact CG1-CD1 3.84Å; V2426-I2430 HydrophobicContact CG1-CG1 4.48Å; V2426-I2430 VanDerWaalsContact O-CG1 3.29Å; V2426-I2430 WeakPolarHBondContact O-CG1 3.38Å; V2426-I2430 PolarHBondContact O-N 3.09Å
2427I91.5Very high89.1Confident50 Ų5063.3 Ų63.326%0.25630%0.298SS..Hα-helixtrans-59.7-52.5175.3-71.8169000110.2L2390 I2423 V2424 I2425 Y2429 I2430 F2431 I2460L2390-I2427 HydrophobicContact CD1-CG2 3.86Å; L2390-I2427 HydrophobicContact CD2-CD1 4.34Å; L2390-I2427 HydrophobicContact CD2-CG2 4.45Å; I2423-I2427 HydrophobicContact CG2-CD1 3.68Å; I2423-I2427 HydrophobicContact CG2-CG1 4.36Å; I2423-I2427 WeakPolarHBondContact O-CB 3.35Å; I2423-I2427 VanDerWaalsContact O-CG1 3.29Å; I2423-I2427 WeakPolarHBondContact O-CG1 3.31Å; I2423-I2427 PolarHBondContact O-N 3.14Å; V2424-I2427 PolarHBondContact O-N 3.36Å; I2425-I2427 PolarHBondContact O-N 3Å; I2427-Y2429 VanDerWaalsContact C-N 3.28Å; I2427-Y2429 PolarHBondContact O-N 3.4Å; I2427-I2430 PolarHBondContact O-N 2.97Å; I2427-F2431 HydrophobicContact CG2-CD2 3.97Å; I2427-F2431 HydrophobicContact CG2-CE2 4.02Å; I2427-F2431 VanDerWaalsContact O-CD2 3.24Å; I2427-F2431 WeakPolarHBondContact O-CD2 3.37Å; I2427-F2431 PolarHBondContact O-N 3.06Å; I2427-I2460 HydrophobicContact CG2-CD1 4.43Å
2428K90.6Very high88.4Confident14 Ų1466 Ų666%0.06131%0.309CS..Hα-helixtrans-57.7-40.9178.5-79.1-177.6168.5-173.40112.2V2424 I2425 F2431 Q2432 Y2466 D2470V2424-K2428 HydrophobicContact CG1-CD 4.35Å; V2424-K2428 HydrophobicContact CG1-CG 4.46Å; V2424-K2428 WeakPolarHBondContact O-CB 3.4Å; V2424-K2428 WeakPolarHBondContact O-CG 3.4Å; V2424-K2428 PolarHBondContact O-N 3.13Å; I2425-K2428 PolarHBondContact O-N 3.19Å; K2428-F2431 PolarHBondContact O-N 3.26Å; K2428-Q2432 WeakPolarHBondContact O-CG 3.23Å; K2428-Q2432 PolarHBondContact O-N 3.07Å; K2428-Q2432 PolarHBondContact O-NE2 3.18Å; K2428-Q2432 VanDerWaalsContact O-NE2 3.14Å; K2428-Y2466 HydrophobicContact CB-CD2 3.94Å; K2428-Y2466 HydrophobicContact CB-CE2 4.34Å; K2428-Y2466 HydrophobicContact CD-CD2 4.41Å; K2428-Y2466 PolarHBondContact NZ-O 3.29Å; K2428-D2470 VanDerWaalsContact CD-OD2 3.32Å; K2428-D2470 WeakPolarHBondContact CD-OD2 3.1Å; K2428-D2470 WeakPolarHBondContact CE-OD2 3.3Å; K2428-D2470 IonicContact NZ-OD1 3.53Å; K2428-D2470 IonicContact NZ-OD2 2.95Å; K2428-D2470 PolarHBondContact NZ-OD2 3.05Å
2429Y90.4Very high87.5Confident128.5 Ų128.565.9 Ų65.950%0.50431%0.309SS..Hα-helixtrans-63.6-49.1178.4177.2-98.8000112.3I2425 V2426 I2427 F2431 Q2432 F2433 Y2466I2425-Y2429 VanDerWaalsContact O-CB 3.3Å; I2425-Y2429 WeakPolarHBondContact O-CB 3.39Å; I2425-Y2429 PolarHBondContact O-N 3.22Å; V2426-Y2429 PolarHBondContact O-N 3.16Å; I2427-Y2429 VanDerWaalsContact C-N 3.28Å; I2427-Y2429 PolarHBondContact O-N 3.4Å; Y2429-F2431 PolarHBondContact O-N 3.25Å; Y2429-Q2432 WeakPolarHBondContact O-CB 3.32Å; Y2429-Q2432 PolarHBondContact O-N 3.24Å; Y2429-F2433 HydrophobicContact CE1-CE2 4.3Å; Y2429-F2433 HydrophobicContact CE1-CZ 4.17Å; Y2429-Y2466 WeakPolarHBondContact CD2-OH 3.41Å
2430I90.6Very high86.5Confident74.25 Ų74.2566.1 Ų66.138%0.38131%0.308SS..Hα-helixtrans-53.9-43.8177.3-71.3163.9000110.3V2426 I2427 Q2432 F2433 F2436V2426-I2430 HydrophobicContact CG1-CD1 3.84Å; V2426-I2430 HydrophobicContact CG1-CG1 4.48Å; V2426-I2430 VanDerWaalsContact O-CG1 3.29Å; V2426-I2430 WeakPolarHBondContact O-CG1 3.38Å; V2426-I2430 PolarHBondContact O-N 3.09Å; I2427-I2430 PolarHBondContact O-N 2.97Å; I2430-Q2432 VanDerWaalsContact C-N 3.31Å; I2430-Q2432 PolarHBondContact O-N 3.1Å; I2430-F2433 VanDerWaalsContact O-CD2 3.24Å; I2430-F2433 WeakPolarHBondContact O-CD2 3.36Å; I2430-F2433 PolarHBondContact O-N 2.94Å; I2430-F2436 HydrophobicContact CG2-CE2 4.39Å; I2430-F2436 HydrophobicContact CG2-CZ 4.37Å; I2430-F2436 WeakPolarHBondContact O-CE2 3.33Å
2431F87.2Confident85.1Confident52.25 Ų52.2568.2 Ų68.223%0.22933%0.334CS..THydrogen-bonded Turntrans-812.3-178.3-70.5-70.8000115.6I2427 K2428 Y2429 F2433 F2436 F2438 N2439 I2460I2427-F2431 HydrophobicContact CG2-CD2 3.97Å; I2427-F2431 HydrophobicContact CG2-CE2 4.02Å; I2427-F2431 VanDerWaalsContact O-CD2 3.24Å; I2427-F2431 WeakPolarHBondContact O-CD2 3.37Å; I2427-F2431 PolarHBondContact O-N 3.06Å; K2428-F2431 PolarHBondContact O-N 3.26Å; Y2429-F2431 PolarHBondContact O-N 3.25Å; F2431-F2433 VanDerWaalsContact C-N 3.31Å; F2431-F2436 HydrophobicContact CB-CE2 4.28Å; F2431-F2436 HydrophobicContact CD1-CD1 4.08Å; F2431-F2436 AromaticContact CD1-CD2 3.78Å; F2431-F2436 HydrophobicContact CD1-CD2 3.78Å; F2431-F2436 AromaticContact CD1-CE1 3.72Å; F2431-F2436 HydrophobicContact CD1-CE1 3.72Å; F2431-F2436 AromaticContact CD1-CE2 3.37Å; F2431-F2436 HydrophobicContact CD1-CE2 3.37Å; F2431-F2436 VanDerWaalsContact CD1-CE2 3.43Å; F2431-F2436 HydrophobicContact CD1-CG 4.11Å; F2431-F2436 AromaticContact CD1-CZ 3.33Å; F2431-F2436 HydrophobicContact CD1-CZ 3.33Å; F2431-F2436 HydrophobicContact CE1-CD1 4.07Å; F2431-F2436 HydrophobicContact CE1-CD2 4.43Å; F2431-F2436 AromaticContact CE1-CE1 3.45Å; F2431-F2436 HydrophobicContact CE1-CE1 3.45Å; F2431-F2436 VanDerWaalsContact CE1-CE1 3.45Å; F2431-F2436 AromaticContact CE1-CE2 3.93Å; F2431-F2436 HydrophobicContact CE1-CE2 3.93Å; F2431-F2436 AromaticContact CE1-CZ 3.35Å; F2431-F2436 HydrophobicContact CE1-CZ 3.35Å; F2431-F2436 HydrophobicContact CG-CE2 4.17Å; F2431-F2436 HydrophobicContact CG-CZ 4.36Å; F2431-F2436 HydrophobicContact CZ-CZ 4.37Å; F2431-F2438 AromaticContact CD1-CZ 3.74Å; F2431-F2438 HydrophobicContact CD1-CZ 3.74Å; F2431-F2438 HydrophobicContact CE1-CZ 4.19Å; F2431-N2439 PolarHBondContact O-ND2 3.17Å; F2431-I2460 HydrophobicContact CB-CB 4.42Å; F2431-I2460 HydrophobicContact CB-CG1 4.48Å; F2431-I2460 HydrophobicContact CB-CG2 3.5Å; F2431-I2460 HydrophobicContact CD1-CG2 3.91Å; F2431-I2460 HydrophobicContact CD2-CD1 3.72Å; F2431-I2460 HydrophobicContact CD2-CG1 3.96Å; F2431-I2460 HydrophobicContact CD2-CG2 3.89Å; F2431-I2460 HydrophobicContact CE1-CG2 4.4Å; F2431-I2460 HydrophobicContact CE2-CD1 3.64Å; F2431-I2460 HydrophobicContact CE2-CG1 4.28Å; F2431-I2460 HydrophobicContact CE2-CG2 4.38Å; F2431-I2460 HydrophobicContact CG-CB 4.46Å; F2431-I2460 HydrophobicContact CG-CD1 4.27Å; F2431-I2460 HydrophobicContact CG-CG1 4.28Å; F2431-I2460 HydrophobicContact CG-CG2 3.51Å; F2431-I2460 HydrophobicContact CZ-CD1 4.18Å
2432Q86.4Confident83.7Confident29.5 Ų29.576.1 Ų76.114%0.13837%0.374CS..THydrogen-bonded Turntrans-76.9-17.4170.1-65.7-47.4-46.700113.5K2428 Y2429 I2430 N2461 K2462 Y2466K2428-Q2432 WeakPolarHBondContact O-CG 3.23Å; K2428-Q2432 PolarHBondContact O-N 3.07Å; K2428-Q2432 PolarHBondContact O-NE2 3.18Å; K2428-Q2432 VanDerWaalsContact O-NE2 3.14Å; Y2429-Q2432 WeakPolarHBondContact O-CB 3.32Å; Y2429-Q2432 PolarHBondContact O-N 3.24Å; I2430-Q2432 VanDerWaalsContact C-N 3.31Å; I2430-Q2432 PolarHBondContact O-N 3.1Å; Q2432-N2461 PolarHBondContact NE2-O 3.14Å; Q2432-K2462 PolarHBondContact O-NZ 3.13Å; Q2432-Y2466 HydrophobicContact CG-CD1 3.87Å; Q2432-Y2466 HydrophobicContact CG-CD2 4.04Å; Q2432-Y2466 HydrophobicContact CG-CE1 3.75Å; Q2432-Y2466 HydrophobicContact CG-CE2 3.89Å; Q2432-Y2466 HydrophobicContact CG-CG 4.03Å; Q2432-Y2466 VanDerWaalsContact NE2-CG 3.29Å
2433F85Confident82.1Confident97.25 Ų97.2577.6 Ų77.643%0.42738%0.384SS..SBendtrans-64.7142.2-178.6-69.7-61.5000112.2Y2429 I2430 F2431 F2435 N2439Y2429-F2433 HydrophobicContact CE1-CE2 4.3Å; Y2429-F2433 HydrophobicContact CE1-CZ 4.17Å; I2430-F2433 VanDerWaalsContact O-CD2 3.24Å; I2430-F2433 WeakPolarHBondContact O-CD2 3.36Å; I2430-F2433 PolarHBondContact O-N 2.94Å; F2431-F2433 VanDerWaalsContact C-N 3.31Å; F2433-F2435 HydrophobicContact CB-CD1 3.38Å; F2433-F2435 VanDerWaalsContact CB-CD1 3.43Å; F2433-F2435 HydrophobicContact CB-CE1 3.39Å; F2433-F2435 VanDerWaalsContact CB-CE1 3.42Å; F2433-F2435 HydrophobicContact CB-CG 4.38Å; F2433-F2435 HydrophobicContact CB-CZ 4.34Å; F2433-F2435 HydrophobicContact CD2-CD1 4.44Å; F2433-F2435 AromaticContact CD2-CE1 3.72Å; F2433-F2435 HydrophobicContact CD2-CE1 3.72Å; F2433-F2435 HydrophobicContact CD2-CZ 4.44Å; F2433-F2435 AromaticContact CG-CD1 3.96Å; F2433-F2435 HydrophobicContact CG-CD1 4.11Å; F2433-F2435 AromaticContact CG-CE1 3.82Å; F2433-F2435 HydrophobicContact CG-CE1 3.82Å; F2433-F2435 PolarHBondContact O-N 2.97Å; F2433-F2435 VanDerWaalsContact O-N 3.15Å; F2433-N2439 PolarHBondContact O-ND2 3.06Å
2434K75.7Confident80.5Confident158.5 Ų158.578.6 Ų78.669%0.68938%0.383SS*.THydrogen-bonded Turntrans-69.5-6.2-179-67.5-175.9179.1-179.90114.4F2436K2434-F2436 VanDerWaalsContact C-N 3.32Å; K2434-F2436 PolarHBondContact O-N 3.15Å
2435F82Confident78.8Confident133 Ų13380.8 Ų80.858%0.58340%0.396SS*.THydrogen-bonded Turntrans-75.6-15.3-177.370.5-107.6000114F2433 H2437F2433-F2435 HydrophobicContact CB-CD1 3.38Å; F2433-F2435 VanDerWaalsContact CB-CD1 3.43Å; F2433-F2435 HydrophobicContact CB-CE1 3.39Å; F2433-F2435 VanDerWaalsContact CB-CE1 3.42Å; F2433-F2435 HydrophobicContact CB-CG 4.38Å; F2433-F2435 HydrophobicContact CB-CZ 4.34Å; F2433-F2435 HydrophobicContact CD2-CD1 4.44Å; F2433-F2435 AromaticContact CD2-CE1 3.72Å; F2433-F2435 HydrophobicContact CD2-CE1 3.72Å; F2433-F2435 HydrophobicContact CD2-CZ 4.44Å; F2433-F2435 AromaticContact CG-CD1 3.96Å; F2433-F2435 HydrophobicContact CG-CD1 4.11Å; F2433-F2435 AromaticContact CG-CE1 3.82Å; F2433-F2435 HydrophobicContact CG-CE1 3.82Å; F2433-F2435 PolarHBondContact O-N 2.97Å; F2433-F2435 VanDerWaalsContact O-N 3.15Å; F2435-H2437 PolarHBondContact O-N 3.27Å
2436F80.6Confident77Confident44.25 Ų44.2585.3 Ų85.319%0.19443%0.426CS..SBendtrans-79.4122.3174.3-69.3-75000110.3I2430 F2431 K2434 F2438 N2439I2430-F2436 HydrophobicContact CG2-CE2 4.39Å; I2430-F2436 HydrophobicContact CG2-CZ 4.37Å; I2430-F2436 WeakPolarHBondContact O-CE2 3.33Å; F2431-F2436 HydrophobicContact CB-CE2 4.28Å; F2431-F2436 HydrophobicContact CD1-CD1 4.08Å; F2431-F2436 AromaticContact CD1-CD2 3.78Å; F2431-F2436 HydrophobicContact CD1-CD2 3.78Å; F2431-F2436 AromaticContact CD1-CE1 3.72Å; F2431-F2436 HydrophobicContact CD1-CE1 3.72Å; F2431-F2436 AromaticContact CD1-CE2 3.37Å; F2431-F2436 HydrophobicContact CD1-CE2 3.37Å; F2431-F2436 VanDerWaalsContact CD1-CE2 3.43Å; F2431-F2436 HydrophobicContact CD1-CG 4.11Å; F2431-F2436 AromaticContact CD1-CZ 3.33Å; F2431-F2436 HydrophobicContact CD1-CZ 3.33Å; F2431-F2436 HydrophobicContact CE1-CD1 4.07Å; F2431-F2436 HydrophobicContact CE1-CD2 4.43Å; F2431-F2436 AromaticContact CE1-CE1 3.45Å; F2431-F2436 HydrophobicContact CE1-CE1 3.45Å; F2431-F2436 VanDerWaalsContact CE1-CE1 3.45Å; F2431-F2436 AromaticContact CE1-CE2 3.93Å; F2431-F2436 HydrophobicContact CE1-CE2 3.93Å; F2431-F2436 AromaticContact CE1-CZ 3.35Å; F2431-F2436 HydrophobicContact CE1-CZ 3.35Å; F2431-F2436 HydrophobicContact CG-CE2 4.17Å; F2431-F2436 HydrophobicContact CG-CZ 4.36Å; F2431-F2436 HydrophobicContact CZ-CZ 4.37Å; K2434-F2436 VanDerWaalsContact C-N 3.32Å; K2434-F2436 PolarHBondContact O-N 3.15Å; F2436-F2438 HydrophobicContact CB-CD1 4.13Å; F2436-F2438 HydrophobicContact CB-CD2 4.43Å; F2436-F2438 HydrophobicContact CB-CE1 3.76Å; F2436-F2438 HydrophobicContact CB-CE2 4.1Å; F2436-F2438 HydrophobicContact CB-CG 4.47Å; F2436-F2438 HydrophobicContact CB-CZ 3.74Å; F2436-F2438 AromaticContact CD1-CE1 3.91Å; F2436-F2438 HydrophobicContact CD1-CE1 3.91Å; F2436-F2438 HydrophobicContact CD1-CZ 4.1Å; F2436-F2438 HydrophobicContact CD2-CZ 4.46Å; F2436-F2438 HydrophobicContact CG-CE1 4.03Å; F2436-F2438 HydrophobicContact CG-CE2 4.48Å; F2436-F2438 AromaticContact CG-CZ 3.89Å; F2436-F2438 HydrophobicContact CG-CZ 3.89Å; F2436-F2438 PolarHBondContact O-N 3.13Å; F2436-N2439 WeakPolarHBondContact O-CB 3.33Å; F2436-N2439 PolarHBondContact O-N 3.4Å
2437H75.9Confident75.1Confident146.75 Ų146.7587.9 Ų87.968%0.67943%0.433SS*.G310 helixtrans-52.9-27.2-177.4-61.8-86.9000114.9F2435 N2439 D2440 L2443F2435-H2437 PolarHBondContact O-N 3.27Å; H2437-N2439 VanDerWaalsContact C-N 3.3Å; H2437-N2439 PolarHBondContact O-N 3.16Å; H2437-D2440 WeakPolarHBondContact CA-OD2 3.42Å; H2437-D2440 PolarHBondContact O-N 3.1Å; H2437-L2443 HydrophobicContact CB-CD1 4.45Å; H2437-L2443 VanDerWaalsContact O-CD1 3.22Å; H2437-L2443 WeakPolarHBondContact O-CD1 3.48Å
2438F76.6Confident73.3Confident59 Ų5987.6 Ų87.626%0.25944%0.435SS..G310 helixtrans-78.8-9.7177.260.2-105.2000114.2F2431 F2436 W2453 P2455 I2460F2431-F2438 AromaticContact CD1-CZ 3.74Å; F2431-F2438 HydrophobicContact CD1-CZ 3.74Å; F2431-F2438 HydrophobicContact CE1-CZ 4.19Å; F2436-F2438 HydrophobicContact CB-CD1 4.13Å; F2436-F2438 HydrophobicContact CB-CD2 4.43Å; F2436-F2438 HydrophobicContact CB-CE1 3.76Å; F2436-F2438 HydrophobicContact CB-CE2 4.1Å; F2436-F2438 HydrophobicContact CB-CG 4.47Å; F2436-F2438 HydrophobicContact CB-CZ 3.74Å; F2436-F2438 AromaticContact CD1-CE1 3.91Å; F2436-F2438 HydrophobicContact CD1-CE1 3.91Å; F2436-F2438 HydrophobicContact CD1-CZ 4.1Å; F2436-F2438 HydrophobicContact CD2-CZ 4.46Å; F2436-F2438 HydrophobicContact CG-CE1 4.03Å; F2436-F2438 HydrophobicContact CG-CE2 4.48Å; F2436-F2438 AromaticContact CG-CZ 3.89Å; F2436-F2438 HydrophobicContact CG-CZ 3.89Å; F2436-F2438 PolarHBondContact O-N 3.13Å; F2438-W2453 HydrophobicContact CB-CH2 4.29Å; F2438-W2453 HydrophobicContact CB-CZ2 4.05Å; F2438-W2453 WeakPolarHBondContact O-CZ2 3.13Å; F2438-P2455 HydrophobicContact CB-CG 4.25Å; F2438-P2455 HydrophobicContact CD1-CG 4.4Å; F2438-P2455 HydrophobicContact CD2-CB 4.2Å; F2438-P2455 HydrophobicContact CD2-CG 3.98Å; F2438-P2455 HydrophobicContact CE2-CB 4.38Å; F2438-P2455 HydrophobicContact CE2-CG 4.36Å; F2438-P2455 HydrophobicContact CG-CG 4Å; F2438-I2460 HydrophobicContact CE2-CG2 3.9Å; F2438-I2460 HydrophobicContact CZ-CG2 3.91Å
2439N75.9Confident71.7Confident5.75 Ų5.7590.4 Ų90.43%0.03146%0.461CS..G310 helixtrans-91.7-9.3175.1-74.6-21.5000113.2F2431 F2433 F2436 H2437 A2441 R2444 K2462F2431-N2439 PolarHBondContact O-ND2 3.17Å; F2433-N2439 PolarHBondContact O-ND2 3.06Å; F2436-N2439 WeakPolarHBondContact O-CB 3.33Å; F2436-N2439 PolarHBondContact O-N 3.4Å; H2437-N2439 VanDerWaalsContact C-N 3.3Å; H2437-N2439 PolarHBondContact O-N 3.16Å; N2439-A2441 PolarHBondContact O-N 3.18Å; N2439-R2444 PolarHBondContact O-NH2 3.28Å; N2439-K2462 HydrophobicContact CB-CD 4.2Å
2440D72.7Confident70.5Confident61.75 Ų61.7588.6 Ų88.633%0.3346%0.457SS..  trans-67.2128.5178.8-78-41.1000111.1H2437 I2442 L2443 R2444H2437-D2440 WeakPolarHBondContact CA-OD2 3.42Å; H2437-D2440 PolarHBondContact O-N 3.1Å; D2440-I2442 PolarHBondContact O-N 3.12Å; D2440-I2442 VanDerWaalsContact O-N 3.1Å; D2440-L2443 HydrophobicContact CB-CB 4.22Å; D2440-L2443 HydrophobicContact CB-CD1 4.34Å; D2440-L2443 PolarHBondContact O-N 3.35Å; D2440-L2443 VanDerWaalsContact O-N 3.11Å; D2440-R2444 PolarHBondContact O-N 3Å; D2440-R2444 VanDerWaalsContact O-N 3.15Å
2441A67.1Low69.4Low87.25 Ų87.2585.6 Ų85.672%0.72144%0.442SS*.THydrogen-bonded Turntrans-63.2-22.5-177.100000113.3N2439N2439-A2441 PolarHBondContact O-N 3.18Å
2442I64.1Low68.7Low165.75 Ų165.7586 Ų8685%0.8545%0.447SS*.THydrogen-bonded Turntrans-83.5-31.6179.8-55.6171.1000111.3D2440D2440-I2442 PolarHBondContact O-N 3.12Å; D2440-I2442 VanDerWaalsContact O-N 3.1Å
2443L59.3Low68.2Low109.25 Ų109.2586.5 Ų86.557%0.57245%0.447SS*.THydrogen-bonded Turntrans-96.3-3-179.4-90.7103.7000113.5H2437 D2440 P2445H2437-L2443 HydrophobicContact CB-CD1 4.45Å; H2437-L2443 VanDerWaalsContact O-CD1 3.22Å; H2437-L2443 WeakPolarHBondContact O-CD1 3.48Å; D2440-L2443 HydrophobicContact CB-CB 4.22Å; D2440-L2443 HydrophobicContact CB-CD1 4.34Å; D2440-L2443 PolarHBondContact O-N 3.35Å; D2440-L2443 VanDerWaalsContact O-N 3.11Å; L2443-P2445 WeakPolarHBondContact O-CD 3.47Å; L2443-P2445 VanDerWaalsContact O-CG 3.31Å; L2443-P2445 WeakPolarHBondContact O-CG 3.45Å
2444R61.1Low68Low111.5 Ų111.587.7 Ų87.742%0.42146%0.458SS..  trans-66.9106.2173.9-172.5-179-66.8178.8-3.1108.6N2439 D2440 T2446 S2448 W2453N2439-R2444 PolarHBondContact O-NH2 3.28Å; D2440-R2444 PolarHBondContact O-N 3Å; D2440-R2444 VanDerWaalsContact O-N 3.15Å; R2444-T2446 PolarHBondContact O-N 3.1Å; R2444-S2448 WeakPolarHBondContact CG-OG 3.29Å; R2444-W2453 HydrophobicContact CG-CH2 4.33Å
2445P57.1Low68.2Low46.5 Ų46.580.9 Ų80.930%0.30243%0.43SS..  trans-72.2158.8-169.8-0.511.4000110.8L2443 E2447 S2448 W2453L2443-P2445 WeakPolarHBondContact O-CD 3.47Å; L2443-P2445 VanDerWaalsContact O-CG 3.31Å; L2443-P2445 WeakPolarHBondContact O-CG 3.45Å; P2445-E2447 HydrophobicContact CB-CB 3.99Å; P2445-E2447 HydrophobicContact CB-CG 4.2Å; P2445-E2447 HydrophobicContact CG-CB 4.22Å; P2445-E2447 PolarHBondContact O-N 2.99Å; P2445-E2447 VanDerWaalsContact O-N 3.11Å; P2445-S2448 VanDerWaalsContact O-CB 3.24Å; P2445-S2448 WeakPolarHBondContact O-CB 3.35Å; P2445-S2448 PolarHBondContact O-N 3.28Å; P2445-S2448 PolarHBondContact O-OG 3.17Å; P2445-W2453 HydrophobicContact CG-CD2 4.44Å; P2445-W2453 HydrophobicContact CG-CG 4.32Å
2446T53.7Low68.1Low134 Ų13478.1 Ų78.182%0.82242%0.415SS*.G310 helixtrans-57.7-8.5168.680000111.4R2444 S2448 A2449R2444-T2446 PolarHBondContact O-N 3.1Å; T2446-S2448 VanDerWaalsContact C-N 3.3Å; T2446-S2448 PolarHBondContact O-N 3.23Å; T2446-S2448 VanDerWaalsContact O-N 3.14Å; T2446-A2449 VanDerWaalsContact O-CB 3.29Å; T2446-A2449 WeakPolarHBondContact O-CB 3.33Å; T2446-A2449 PolarHBondContact O-N 3.08Å
2447E53.7Low68.3Low136.75 Ų136.7578.3 Ų78.364%0.63942%0.418SS*.G310 helixtrans-40.6-23.7169.5-54.9-172.9155.300115.4P2445 A2449 E2450P2445-E2447 HydrophobicContact CB-CB 3.99Å; P2445-E2447 HydrophobicContact CB-CG 4.2Å; P2445-E2447 HydrophobicContact CG-CB 4.22Å; P2445-E2447 PolarHBondContact O-N 2.99Å; P2445-E2447 VanDerWaalsContact O-N 3.11Å; E2447-A2449 PolarHBondContact O-N 2.95Å; E2447-A2449 VanDerWaalsContact O-N 3.13Å; E2447-E2450 VanDerWaalsContact O-CB 3.29Å; E2447-E2450 WeakPolarHBondContact O-CB 3.48Å; E2447-E2450 PolarHBondContact O-N 3.12Å
2448S53.9Low68.8Low44.5 Ų44.574.1 Ų74.131%0.31140%0.399SS..G310 helixtrans-78.2-16.8178.764.50000114.4R2444 P2445 T2446 E2450 R2456R2444-S2448 WeakPolarHBondContact CG-OG 3.29Å; P2445-S2448 VanDerWaalsContact O-CB 3.24Å; P2445-S2448 WeakPolarHBondContact O-CB 3.35Å; P2445-S2448 PolarHBondContact O-N 3.28Å; P2445-S2448 PolarHBondContact O-OG 3.17Å; T2446-S2448 VanDerWaalsContact C-N 3.3Å; T2446-S2448 PolarHBondContact O-N 3.23Å; T2446-S2448 VanDerWaalsContact O-N 3.14Å; S2448-E2450 VanDerWaalsContact C-N 3.34Å; S2448-E2450 PolarHBondContact O-N 2.93Å; S2448-R2456 VanDerWaalsContact O-CZ 3.24Å; S2448-R2456 PolarHBondContact O-NH1 3.04Å; S2448-R2456 VanDerWaalsContact O-NH1 3.11Å; S2448-R2456 PolarHBondContact O-NH2 3.12Å
2449A56.6Low69.2Low71.75 Ų71.7572 Ų7259%0.59340%0.395SS*.G310 helixtrans-71-28.517600000114.3T2446 E2447 R2456T2446-A2449 VanDerWaalsContact O-CB 3.29Å; T2446-A2449 WeakPolarHBondContact O-CB 3.33Å; T2446-A2449 PolarHBondContact O-N 3.08Å; E2447-A2449 PolarHBondContact O-N 2.95Å; E2447-A2449 VanDerWaalsContact O-N 3.13Å; A2449-R2456 PolarHBondContact O-NH1 3.08Å
2450E65.7Low69.7Low90.75 Ų90.7572.5 Ų72.542%0.42440%0.397SS..SBendtrans-83.1131.5-175.5-63.2-142.6136.500112.5E2447 S2448 L2452 W2453 R2456 R2694E2447-E2450 VanDerWaalsContact O-CB 3.29Å; E2447-E2450 WeakPolarHBondContact O-CB 3.48Å; E2447-E2450 PolarHBondContact O-N 3.12Å; S2448-E2450 VanDerWaalsContact C-N 3.34Å; S2448-E2450 PolarHBondContact O-N 2.93Å; E2450-L2452 VanDerWaalsContact C-N 3.26Å; E2450-L2452 PolarHBondContact O-N 3.39Å; E2450-W2453 PolarHBondContact O-N 3.01Å; E2450-R2456 PolarHBondContact O-NH1 3.2Å; E2450-R2694 IonicContact OE1-CZ 3.78Å; E2450-R2694 IonicContact OE1-NH1 2.87Å; E2450-R2694 PolarHBondContact OE1-NH1 3.19Å; E2450-R2694 IonicContact OE2-NH1 3.05Å
2451P67.2Low70Confident11.75 Ų11.7571.2 Ų71.28%0.07639%0.39CS..THydrogen-bonded Turntrans-70.6-20.6176.526.8-32.5000112.9P2690 R2694P2451-P2690 HydrophobicContact CB-CB 3.77Å; P2451-P2690 HydrophobicContact CG-CB 4.09Å; P2451-P2690 VanDerWaalsContact CG-O 3.23Å; P2451-P2690 WeakPolarHBondContact CG-O 3.38Å; P2451-R2694 WeakPolarHBondContact CD-O 3.41Å
2452L72.1Confident70.7Confident61.5 Ų61.569.6 Ų69.632%0.32237%0.367SS..THydrogen-bonded Turntrans-9410.5-175.3-62.8176.5000114.4E2450 L2454 I2457 H2691E2450-L2452 VanDerWaalsContact C-N 3.26Å; E2450-L2452 PolarHBondContact O-N 3.39Å; L2452-L2454 PolarHBondContact O-N 3.18Å; L2452-I2457 HydrophobicContact CB-CD1 4.18Å; L2452-I2457 HydrophobicContact CD2-CD1 4.01Å; L2452-I2457 HydrophobicContact CD2-CG1 4.47Å; L2452-I2457 VanDerWaalsContact O-CD1 3.27Å; L2452-I2457 WeakPolarHBondContact O-CD1 3.38Å; L2452-H2691 HydrophobicContact CD1-CB 4Å; L2452-H2691 VanDerWaalsContact CD1-ND1 3.34Å; L2452-H2691 WeakPolarHBondContact CD1-ND1 3.38Å
2453W76.4Confident71.5Confident38.5 Ų38.565.8 Ų65.815%0.14635%0.348CS..  trans-60.9122.5174.3-17461.9000110.5F2438 R2444 P2445 E2450 P2455 R2456 I2457 N2461F2438-W2453 HydrophobicContact CB-CH2 4.29Å; F2438-W2453 HydrophobicContact CB-CZ2 4.05Å; F2438-W2453 WeakPolarHBondContact O-CZ2 3.13Å; R2444-W2453 HydrophobicContact CG-CH2 4.33Å; P2445-W2453 HydrophobicContact CG-CD2 4.44Å; P2445-W2453 HydrophobicContact CG-CG 4.32Å; E2450-W2453 PolarHBondContact O-N 3.01Å; W2453-P2455 HydrophobicContact CD2-CB 4.38Å; W2453-P2455 HydrophobicContact CD2-CG 4.11Å; W2453-P2455 HydrophobicContact CE3-CB 4.01Å; W2453-P2455 HydrophobicContact CE3-CG 4.24Å; W2453-P2455 HydrophobicContact CH2-CB 3.89Å; W2453-P2455 HydrophobicContact CH2-CG 3.92Å; W2453-P2455 HydrophobicContact CZ2-CB 4.28Å; W2453-P2455 HydrophobicContact CZ2-CG 3.78Å; W2453-P2455 HydrophobicContact CZ3-CB 3.75Å; W2453-P2455 HydrophobicContact CZ3-CG 4.14Å; W2453-R2456 HydrophobicContact CB-CB 4.47Å; W2453-R2456 HydrophobicContact CE3-CB 3.98Å; W2453-R2456 WeakPolarHBondContact O-CA 3.35Å; W2453-R2456 WeakPolarHBondContact O-CB 3.36Å; W2453-R2456 PolarHBondContact O-N 3.18Å; W2453-I2457 PolarHBondContact O-N 3.19Å; W2453-I2457 VanDerWaalsContact O-N 3.08Å; W2453-N2461 HydrophobicContact CZ3-CB 4.48Å; W2453-N2461 WeakPolarHBondContact CZ3-OD1 3.36Å
2454L80.6Confident72.5Confident123.25 Ų123.2567.9 Ų67.965%0.64536%0.36SS*.Hα-helixtrans-53.8-45.8-166.2-10184.6000114.5L2452 R2456 I2457 I2458L2452-L2454 PolarHBondContact O-N 3.18Å; L2454-R2456 VanDerWaalsContact C-N 3.26Å; L2454-R2456 PolarHBondContact O-N 3.17Å; L2454-I2457 PolarHBondContact O-N 3.32Å; L2454-I2458 HydrophobicContact CD2-CD1 4.41Å; L2454-I2458 HydrophobicContact CG-CD1 3.97Å; L2454-I2458 VanDerWaalsContact O-CG1 3.31Å; L2454-I2458 WeakPolarHBondContact O-CG1 3.35Å; L2454-I2458 PolarHBondContact O-N 3.18Å
2455P81Confident73.6Confident15.25 Ų15.2568.5 Ų68.510%0.09937%0.372CS..Hα-helixtrans-60.1-32.2175.3-24.835.2000113.5F2438 W2453 G2459 I2460 N2461F2438-P2455 HydrophobicContact CB-CG 4.25Å; F2438-P2455 HydrophobicContact CD1-CG 4.4Å; F2438-P2455 HydrophobicContact CD2-CB 4.2Å; F2438-P2455 HydrophobicContact CD2-CG 3.98Å; F2438-P2455 HydrophobicContact CE2-CB 4.38Å; F2438-P2455 HydrophobicContact CE2-CG 4.36Å; F2438-P2455 HydrophobicContact CG-CG 4Å; W2453-P2455 HydrophobicContact CD2-CB 4.38Å; W2453-P2455 HydrophobicContact CD2-CG 4.11Å; W2453-P2455 HydrophobicContact CE3-CB 4.01Å; W2453-P2455 HydrophobicContact CE3-CG 4.24Å; W2453-P2455 HydrophobicContact CH2-CB 3.89Å; W2453-P2455 HydrophobicContact CH2-CG 3.92Å; W2453-P2455 HydrophobicContact CZ2-CB 4.28Å; W2453-P2455 HydrophobicContact CZ2-CG 3.78Å; W2453-P2455 HydrophobicContact CZ3-CB 3.75Å; W2453-P2455 HydrophobicContact CZ3-CG 4.14Å; P2455-G2459 PolarHBondContact O-N 2.95Å; P2455-G2459 VanDerWaalsContact O-N 3.12Å; P2455-I2460 HydrophobicContact CB-CB 4.5Å; P2455-I2460 HydrophobicContact CB-CG2 4.16Å; P2455-I2460 WeakPolarHBondContact CB-O 3.45Å; P2455-I2460 CarbonylContact O-C 3.53Å; P2455-I2460 WeakPolarHBondContact O-CA 3.38Å; P2455-I2460 PolarHBondContact O-N 2.95Å; P2455-N2461 PolarHBondContact O-N 3.4Å
2456R79.7Confident74.8Confident75.25 Ų75.2569.5 Ų69.528%0.28437%0.37SS..Hα-helixtrans-72.1-46.1174.1178.8177.5-70.9159.6-1.8111.7S2448 A2449 E2450 W2453 L2454 I2458 G2459S2448-R2456 VanDerWaalsContact O-CZ 3.24Å; S2448-R2456 PolarHBondContact O-NH1 3.04Å; S2448-R2456 VanDerWaalsContact O-NH1 3.11Å; S2448-R2456 PolarHBondContact O-NH2 3.12Å; A2449-R2456 PolarHBondContact O-NH1 3.08Å; E2450-R2456 PolarHBondContact O-NH1 3.2Å; W2453-R2456 HydrophobicContact CB-CB 4.47Å; W2453-R2456 HydrophobicContact CE3-CB 3.98Å; W2453-R2456 WeakPolarHBondContact O-CA 3.35Å; W2453-R2456 WeakPolarHBondContact O-CB 3.36Å; W2453-R2456 PolarHBondContact O-N 3.18Å; L2454-R2456 VanDerWaalsContact C-N 3.26Å; L2454-R2456 PolarHBondContact O-N 3.17Å; R2456-I2458 VanDerWaalsContact C-N 3.29Å; R2456-I2458 PolarHBondContact O-N 3.09Å; R2456-G2459 PolarHBondContact O-N 3.06Å; R2456-G2459 VanDerWaalsContact O-N 3.13Å
2457I84.3Confident76.4Confident48.25 Ų48.2564.2 Ų64.225%0.24734%0.34CS..Hα-helixtrans-55.3-47.2175.4-63.5179.3000110.3L2389 L2452 W2453 L2454 G2459 F2687L2389-I2457 WeakPolarHBondContact CB-O 3.37Å; L2389-I2457 PolarHBondContact N-O 3.22Å; L2452-I2457 HydrophobicContact CB-CD1 4.18Å; L2452-I2457 HydrophobicContact CD2-CD1 4.01Å; L2452-I2457 HydrophobicContact CD2-CG1 4.47Å; L2452-I2457 VanDerWaalsContact O-CD1 3.27Å; L2452-I2457 WeakPolarHBondContact O-CD1 3.38Å; W2453-I2457 PolarHBondContact O-N 3.19Å; W2453-I2457 VanDerWaalsContact O-N 3.08Å; L2454-I2457 PolarHBondContact O-N 3.32Å; I2457-G2459 VanDerWaalsContact C-N 3.32Å; I2457-G2459 PolarHBondContact O-N 3.14Å; I2457-F2687 HydrophobicContact CG2-CE1 4.48Å
2458I86.8Confident78.1Confident57.25 Ų57.2561.1 Ų61.129%0.29433%0.33SS..Hα-helixtrans-70.4-32.6-176.8-57.2164.8000110.8L2390 L2454 R2456 I2460L2390-I2458 VanDerWaalsContact CB-O 3.26Å; L2390-I2458 WeakPolarHBondContact CB-O 3.34Å; L2390-I2458 HydrophobicContact CD1-CG2 3.98Å; L2390-I2458 WeakPolarHBondContact CD1-O 3.43Å; L2390-I2458 HydrophobicContact CG-CG2 3.97Å; L2390-I2458 WeakPolarHBondContact CG-O 3.38Å; L2390-I2458 PolarHBondContact N-O 3.09Å; L2390-I2458 VanDerWaalsContact N-O 3.15Å; L2454-I2458 HydrophobicContact CD2-CD1 4.41Å; L2454-I2458 HydrophobicContact CG-CD1 3.97Å; L2454-I2458 VanDerWaalsContact O-CG1 3.31Å; L2454-I2458 WeakPolarHBondContact O-CG1 3.35Å; L2454-I2458 PolarHBondContact O-N 3.18Å; R2456-I2458 VanDerWaalsContact C-N 3.29Å; R2456-I2458 PolarHBondContact O-N 3.09Å; I2458-I2460 HydrophobicContact CB-CD1 4.02Å; I2458-I2460 HydrophobicContact CB-CG1 4.23Å; I2458-I2460 HydrophobicContact CD1-CD1 4.48Å; I2458-I2460 HydrophobicContact CG2-CD1 3.4Å; I2458-I2460 VanDerWaalsContact CG2-CD1 3.43Å; I2458-I2460 HydrophobicContact CG2-CG1 3.81Å
2459G83.9Confident79.9Confident16.25 Ų16.2562.3 Ų62.317%0.16833%0.33CS..THydrogen-bonded Turntrans97.627.1-175.800000113.4S2388 P2455 R2456 I2457S2388-G2459 VanDerWaalsContact CB-CA 3.45Å; P2455-G2459 PolarHBondContact O-N 2.95Å; P2455-G2459 VanDerWaalsContact O-N 3.12Å; R2456-G2459 PolarHBondContact O-N 3.06Å; R2456-G2459 VanDerWaalsContact O-N 3.13Å; I2457-G2459 VanDerWaalsContact C-N 3.32Å; I2457-G2459 PolarHBondContact O-N 3.14Å
2460I85.9Confident81.5Confident15.5 Ų15.558.9 Ų58.98%0.07930%0.302CS..  trans-104.413.2-174.9-72.3176000110.8L2390 I2427 F2431 F2438 P2455 I2458L2390-I2460 HydrophobicContact CD1-CD1 4.44Å; L2390-I2460 HydrophobicContact CD1-CG1 3.96Å; I2427-I2460 HydrophobicContact CG2-CD1 4.43Å; F2431-I2460 HydrophobicContact CB-CB 4.42Å; F2431-I2460 HydrophobicContact CB-CG1 4.48Å; F2431-I2460 HydrophobicContact CB-CG2 3.5Å; F2431-I2460 HydrophobicContact CD1-CG2 3.91Å; F2431-I2460 HydrophobicContact CD2-CD1 3.72Å; F2431-I2460 HydrophobicContact CD2-CG1 3.96Å; F2431-I2460 HydrophobicContact CD2-CG2 3.89Å; F2431-I2460 HydrophobicContact CE1-CG2 4.4Å; F2431-I2460 HydrophobicContact CE2-CD1 3.64Å; F2431-I2460 HydrophobicContact CE2-CG1 4.28Å; F2431-I2460 HydrophobicContact CE2-CG2 4.38Å; F2431-I2460 HydrophobicContact CG-CB 4.46Å; F2431-I2460 HydrophobicContact CG-CD1 4.27Å; F2431-I2460 HydrophobicContact CG-CG1 4.28Å; F2431-I2460 HydrophobicContact CG-CG2 3.51Å; F2431-I2460 HydrophobicContact CZ-CD1 4.18Å; F2438-I2460 HydrophobicContact CE2-CG2 3.9Å; F2438-I2460 HydrophobicContact CZ-CG2 3.91Å; P2455-I2460 HydrophobicContact CB-CB 4.5Å; P2455-I2460 HydrophobicContact CB-CG2 4.16Å; P2455-I2460 WeakPolarHBondContact CB-O 3.45Å; P2455-I2460 CarbonylContact O-C 3.53Å; P2455-I2460 WeakPolarHBondContact O-CA 3.38Å; P2455-I2460 PolarHBondContact O-N 2.95Å; I2458-I2460 HydrophobicContact CB-CD1 4.02Å; I2458-I2460 HydrophobicContact CB-CG1 4.23Å; I2458-I2460 HydrophobicContact CD1-CD1 4.48Å; I2458-I2460 HydrophobicContact CG2-CD1 3.4Å; I2458-I2460 VanDerWaalsContact CG2-CD1 3.43Å; I2458-I2460 HydrophobicContact CG2-CG1 3.81Å
2461N79.3Confident82.8Confident34.25 Ų34.2559.2 Ų59.218%0.18331%0.306CS..  trans-68.3143.9178.4-169.435.7000112.2Q2432 W2453 P2455 N2463Q2432-N2461 PolarHBondContact NE2-O 3.14Å; W2453-N2461 HydrophobicContact CZ3-CB 4.48Å; W2453-N2461 WeakPolarHBondContact CZ3-OD1 3.36Å; P2455-N2461 PolarHBondContact O-N 3.4Å; N2461-N2463 PolarHBondContact ND2-OD1 3.22Å; N2461-N2463 PolarHBondContact O-N 3.16Å
2462K82Confident84.1Confident54.75 Ų54.7562 Ų6224%0.23832%0.322CS..  trans-78.4103.1173.7-179.4170.5-179.41720111Q2432 N2439Q2432-K2462 PolarHBondContact O-NZ 3.13Å; N2439-K2462 HydrophobicContact CB-CD 4.2Å
2463N80.7Confident85.1Confident84.25 Ų84.2559.1 Ų59.145%0.45131%0.308SS..  trans-125.6149173-65.41.8000108.3N2461 D2465 Y2466N2461-N2463 PolarHBondContact ND2-OD1 3.22Å; N2461-N2463 PolarHBondContact O-N 3.16Å; N2463-D2465 VanDerWaalsContact C-N 3.31Å; N2463-D2465 PolarHBondContact O-N 2.91Å; N2463-Y2466 WeakPolarHBondContact O-CB 3.37Å; N2463-Y2466 WeakPolarHBondContact O-CD1 3.38Å; N2463-Y2466 PolarHBondContact O-N 3.48Å
2464D81Confident86Confident153.5 Ų153.558.6 Ų58.682%0.82131%0.307SS*.THydrogen-bonded Turntrans-69.6-37.9178.4-58.8-43.6000111.8Y2466D2464-Y2466 VanDerWaalsContact C-N 3.28Å; D2464-Y2466 WeakPolarHBondContact O-CD1 3.14Å; D2464-Y2466 PolarHBondContact O-N 3.06Å
2465D83.6Confident86.6Confident124.5 Ų124.557 Ų5767%0.66630%0.299SS*.THydrogen-bonded Turntrans-87.223.6178.8-63.7-49.9000114.9N2463 A2467 V2468N2463-D2465 VanDerWaalsContact C-N 3.31Å; N2463-D2465 PolarHBondContact O-N 2.91Å; D2465-A2467 VanDerWaalsContact C-N 3.26Å; D2465-A2467 PolarHBondContact O-N 3.05Å; D2465-A2467 VanDerWaalsContact O-N 3.15Å; D2465-V2468 HydrophobicContact CB-CG2 4.07Å; D2465-V2468 PolarHBondContact O-N 3.18Å
2466Y83.5Confident87.2Confident66.75 Ų66.7556.8 Ų56.826%0.26230%0.297SS..THydrogen-bonded Turntrans-57-24.7-167.470.2-82.5000116.4K2428 Y2429 Q2432 N2463 D2464K2428-Y2466 HydrophobicContact CB-CD2 3.94Å; K2428-Y2466 HydrophobicContact CB-CE2 4.34Å; K2428-Y2466 HydrophobicContact CD-CD2 4.41Å; K2428-Y2466 PolarHBondContact NZ-O 3.29Å; Y2429-Y2466 WeakPolarHBondContact CD2-OH 3.41Å; Q2432-Y2466 HydrophobicContact CG-CD1 3.87Å; Q2432-Y2466 HydrophobicContact CG-CD2 4.04Å; Q2432-Y2466 HydrophobicContact CG-CE1 3.75Å; Q2432-Y2466 HydrophobicContact CG-CE2 3.89Å; Q2432-Y2466 HydrophobicContact CG-CG 4.03Å; Q2432-Y2466 VanDerWaalsContact NE2-CG 3.29Å; N2463-Y2466 WeakPolarHBondContact O-CB 3.37Å; N2463-Y2466 WeakPolarHBondContact O-CD1 3.38Å; N2463-Y2466 PolarHBondContact O-N 3.48Å; D2464-Y2466 VanDerWaalsContact C-N 3.28Å; D2464-Y2466 WeakPolarHBondContact O-CD1 3.14Å; D2464-Y2466 PolarHBondContact O-N 3.06Å
2467A85.8Confident87.9Confident23.25 Ų23.2553.3 Ų53.319%0.19228%0.284CS..THydrogen-bonded Turntrans-117.5-1.1-17200000115.3D2465 F2469 D2470 L2471D2465-A2467 VanDerWaalsContact C-N 3.26Å; D2465-A2467 PolarHBondContact O-N 3.05Å; D2465-A2467 VanDerWaalsContact O-N 3.15Å; A2467-F2469 PolarHBondContact O-N 3.4Å; A2467-D2470 PolarHBondContact O-N 3.06Å; A2467-L2471 WeakPolarHBondContact O-CB 3.37Å; A2467-L2471 PolarHBondContact O-N 3.16Å
2468V90Very high88.3Confident71.75 Ų71.7555.1 Ų55.144%0.43529%0.29SS..Hα-helixtrans-59.6-49-171.4178.60000111.8D2465 L2471 V2472D2465-V2468 HydrophobicContact CB-CG2 4.07Å; D2465-V2468 PolarHBondContact O-N 3.18Å; V2468-L2471 PolarHBondContact O-N 3.2Å; V2468-V2472 WeakPolarHBondContact O-CG2 3.36Å; V2468-V2472 PolarHBondContact O-N 3.15Å; V2468-V2472 VanDerWaalsContact O-N 3.16Å
2469F90.9Very high88.6Confident69.25 Ų69.2556.6 Ų56.630%0.30430%0.299SS..Hα-helixtrans-70.7-34.5179.3-67.5-68.3000113.3F2381 N2382 H2385 A2467 L2471 V2472 Q2473F2381-F2469 HydrophobicContact CD1-CD1 4.23Å; F2381-F2469 HydrophobicContact CD1-CE1 4.19Å; F2381-F2469 AromaticContact CE1-CD1 3.98Å; F2381-F2469 HydrophobicContact CE1-CD1 4.08Å; F2381-F2469 AromaticContact CE1-CE1 3.59Å; F2381-F2469 HydrophobicContact CE1-CE1 3.59Å; F2381-F2469 VanDerWaalsContact CE1-CE1 3.48Å; F2381-F2469 AromaticContact CE1-CZ 3.94Å; F2381-F2469 HydrophobicContact CE1-CZ 4.05Å; N2382-F2469 HydrophobicContact CB-CB 4.38Å; H2385-F2469 HydrophobicContact CB-CD2 4.46Å; H2385-F2469 HydrophobicContact CB-CE2 4.44Å; H2385-F2469 AromaticContact CD2-CE2 3.65Å; H2385-F2469 AromaticContact CE1-CD2 3.93Å; H2385-F2469 AromaticContact CE1-CE2 3.61Å; H2385-F2469 AromaticContact CG-CD2 3.92Å; H2385-F2469 AromaticContact CG-CE2 3.71Å; H2385-F2469 AromaticContact ND1-CD2 3.65Å; H2385-F2469 AromaticContact ND1-CE2 3.68Å; H2385-F2469 AromaticContact NE2-CE2 3.59Å; A2467-F2469 PolarHBondContact O-N 3.4Å; F2469-L2471 VanDerWaalsContact C-N 3.34Å; F2469-L2471 PolarHBondContact O-N 3.38Å; F2469-V2472 PolarHBondContact O-N 3.47Å; F2469-Q2473 VanDerWaalsContact O-CB 3.24Å; F2469-Q2473 WeakPolarHBondContact O-CB 3.3Å; F2469-Q2473 PolarHBondContact O-N 3.23Å
2470D92Very high89Confident1.5 Ų1.556.1 Ų56.11%0.00829%0.292CS..Hα-helixtrans-66-38.7175.6-62-45.5000111.6N2382 I2425 K2428 A2467 Q2473 L2474N2382-D2470 PolarHBondContact ND2-OD1 3.04Å; I2425-D2470 HydrophobicContact CD1-CB 3.94Å; I2425-D2470 HydrophobicContact CG1-CB 3.6Å; K2428-D2470 VanDerWaalsContact CD-OD2 3.32Å; K2428-D2470 WeakPolarHBondContact CD-OD2 3.1Å; K2428-D2470 WeakPolarHBondContact CE-OD2 3.3Å; K2428-D2470 IonicContact NZ-OD1 3.53Å; K2428-D2470 IonicContact NZ-OD2 2.95Å; K2428-D2470 PolarHBondContact NZ-OD2 3.05Å; A2467-D2470 PolarHBondContact O-N 3.06Å; D2470-Q2473 WeakPolarHBondContact O-CB 3.32Å; D2470-Q2473 PolarHBondContact O-N 3.23Å; D2470-L2474 VanDerWaalsContact O-CB 3.31Å; D2470-L2474 WeakPolarHBondContact O-CB 3.34Å; D2470-L2474 PolarHBondContact O-N 3.17Å
2471L92.4Very high89.3Confident97.5 Ų97.558.8 Ų58.851%0.5130%0.301SS..Hα-helixtrans-66.4-45.5177-174.969.5000111.6A2467 V2468 F2469 Q2473 L2474 I2475A2467-L2471 WeakPolarHBondContact O-CB 3.37Å; A2467-L2471 PolarHBondContact O-N 3.16Å; V2468-L2471 PolarHBondContact O-N 3.2Å; F2469-L2471 VanDerWaalsContact C-N 3.34Å; F2469-L2471 PolarHBondContact O-N 3.38Å; L2471-Q2473 VanDerWaalsContact C-N 3.31Å; L2471-Q2473 PolarHBondContact O-N 3.26Å; L2471-L2474 PolarHBondContact O-N 3.1Å; L2471-I2475 HydrophobicContact CD1-CD1 4.31Å; L2471-I2475 HydrophobicContact CG-CD1 4.12Å; L2471-I2475 VanDerWaalsContact O-CG1 3.29Å; L2471-I2475 WeakPolarHBondContact O-CG1 3.32Å; L2471-I2475 PolarHBondContact O-N 3.26Å
2472V93.4Very high89.8Confident68.75 Ų68.7558.9 Ų58.942%0.41731%0.31SS..Hα-helixtrans-61.2-41.5175.4171.20000111L2378 V2468 F2469 S2476L2378-V2472 HydrophobicContact CD1-CG1 4.23Å; L2378-V2472 HydrophobicContact CD2-CG1 4.38Å; V2468-V2472 WeakPolarHBondContact O-CG2 3.36Å; V2468-V2472 PolarHBondContact O-N 3.15Å; V2468-V2472 VanDerWaalsContact O-N 3.16Å; F2469-V2472 PolarHBondContact O-N 3.47Å; V2472-S2476 WeakPolarHBondContact O-CB 3.37Å; V2472-S2476 PolarHBondContact O-N 3.01Å
2473Q93.9Very high90.1Very high2.5 Ų2.560 Ų601%0.01231%0.313CS..Hα-helixtrans-62.7-46.6175.1-178.6178.5-69.600111.8L2379 N2382 Y2394 T2421 F2469 D2470 L2471 I2475 S2476 L2477L2379-Q2473 VanDerWaalsContact CD2-CD 3.48Å; L2379-Q2473 HydrophobicContact CD2-CG 4.02Å; L2379-Q2473 VanDerWaalsContact CD2-NE2 3.3Å; L2379-Q2473 HydrophobicContact CG-CG 4.32Å; N2382-Q2473 VanDerWaalsContact CB-OE1 3.27Å; N2382-Q2473 PolarHBondContact ND2-NE2 2.78Å; N2382-Q2473 PolarHBondContact ND2-OE1 3.27Å; Y2394-Q2473 VanDerWaalsContact CE1-NE2 3.35Å; T2421-Q2473 HydrophobicContact CG2-CG 4.38Å; F2469-Q2473 VanDerWaalsContact O-CB 3.24Å; F2469-Q2473 WeakPolarHBondContact O-CB 3.3Å; F2469-Q2473 PolarHBondContact O-N 3.23Å; D2470-Q2473 WeakPolarHBondContact O-CB 3.32Å; D2470-Q2473 PolarHBondContact O-N 3.23Å; L2471-Q2473 VanDerWaalsContact C-N 3.31Å; L2471-Q2473 PolarHBondContact O-N 3.26Å; Q2473-I2475 PolarHBondContact O-N 3.33Å; Q2473-S2476 WeakPolarHBondContact O-CB 3.36Å; Q2473-S2476 PolarHBondContact O-N 3.1Å; Q2473-L2477 HydrophobicContact CG-CD1 4.39Å; Q2473-L2477 WeakPolarHBondContact O-CG 3.35Å; Q2473-L2477 PolarHBondContact O-N 3.08Å
2474L94.8Very high90.4Very high26.75 Ų26.7556.5 Ų56.514%0.1430%0.295CS..Hα-helixtrans-60.2-46.9177.8-173.968.7000111.5I2418 T2421 E2422 I2425 D2470 L2471 S2476 L2477 F2478I2418-L2474 HydrophobicContact CG2-CD1 4.37Å; T2421-L2474 WeakPolarHBondContact OG1-CD1 3.38Å; E2422-L2474 HydrophobicContact CG-CD1 3.92Å; I2425-L2474 HydrophobicContact CD1-CB 4.43Å; I2425-L2474 HydrophobicContact CD1-CD2 3.99Å; D2470-L2474 VanDerWaalsContact O-CB 3.31Å; D2470-L2474 WeakPolarHBondContact O-CB 3.34Å; D2470-L2474 PolarHBondContact O-N 3.17Å; L2471-L2474 PolarHBondContact O-N 3.1Å; L2474-S2476 VanDerWaalsContact C-N 3.33Å; L2474-S2476 PolarHBondContact O-N 3.24Å; L2474-L2477 PolarHBondContact O-N 3.22Å; L2474-F2478 HydrophobicContact CD1-CD2 4.13Å; L2474-F2478 HydrophobicContact CD1-CE2 3.65Å; L2474-F2478 HydrophobicContact CD2-CE2 4.35Å; L2474-F2478 HydrophobicContact CG-CD2 3.96Å; L2474-F2478 HydrophobicContact CG-CE2 3.77Å; L2474-F2478 VanDerWaalsContact O-CD2 3.28Å; L2474-F2478 WeakPolarHBondContact O-CD2 3.36Å; L2474-F2478 PolarHBondContact O-N 3.26Å
2475I94.7Very high90.6Very high90.25 Ų90.2554.4 Ų54.446%0.46328%0.278SS..Hα-helixtrans-58.9-45175.7-68.6165.7000110.6L2471 Q2473 L2477 F2478 L2479L2471-I2475 HydrophobicContact CD1-CD1 4.31Å; L2471-I2475 HydrophobicContact CG-CD1 4.12Å; L2471-I2475 VanDerWaalsContact O-CG1 3.29Å; L2471-I2475 WeakPolarHBondContact O-CG1 3.32Å; L2471-I2475 PolarHBondContact O-N 3.26Å; Q2473-I2475 PolarHBondContact O-N 3.33Å; I2475-L2477 PolarHBondContact O-N 2.94Å; I2475-F2478 PolarHBondContact O-N 3.19Å; I2475-L2479 HydrophobicContact CG2-CD1 3.97Å; I2475-L2479 HydrophobicContact CG2-CG 4.4Å; I2475-L2479 WeakPolarHBondContact O-CB 3.5Å; I2475-L2479 WeakPolarHBondContact O-CG 3.44Å; I2475-L2479 PolarHBondContact O-N 3.31Å
2476S92.9Very high90.5Very high10.5 Ų10.552.6 Ų52.67%0.07327%0.269CS..Hα-helixtrans-60.6-43177.6-1740000112.5F2374 C2375 V2472 Q2473 L2474 F2478 L2479 H2480F2374-S2476 WeakPolarHBondContact CD1-OG 3.47Å; C2375-S2476 PolarHBondContact SG-OG 3.2Å; V2472-S2476 WeakPolarHBondContact O-CB 3.37Å; V2472-S2476 PolarHBondContact O-N 3.01Å; Q2473-S2476 WeakPolarHBondContact O-CB 3.36Å; Q2473-S2476 PolarHBondContact O-N 3.1Å; L2474-S2476 VanDerWaalsContact C-N 3.33Å; L2474-S2476 PolarHBondContact O-N 3.24Å; S2476-F2478 PolarHBondContact O-N 2.98Å; S2476-L2479 PolarHBondContact O-N 3.28Å; S2476-H2480 PolarHBondContact O-N 3.15Å
2477L93.6Very high90.2Very high2 Ų251.5 Ų51.51%0.0127%0.267CS..Hα-helixtrans-64.6-40.2177.3-68.3172.1000112.3C2375 W2414 L2417 I2418 T2421 Q2473 L2474 I2475 H2480 R2481C2375-L2477 HydrophobicContact CB-CD2 4.09Å; W2414-L2477 HydrophobicContact CE3-CD2 4.01Å; W2414-L2477 HydrophobicContact CZ3-CD2 3.75Å; L2417-L2477 HydrophobicContact CD2-CD1 4.27Å; L2417-L2477 HydrophobicContact CD2-CD2 3.65Å; L2417-L2477 VanDerWaalsContact CD2-CD2 3.47Å; L2417-L2477 HydrophobicContact CD2-CG 4.4Å; L2417-L2477 HydrophobicContact CG-CD1 4.01Å; L2417-L2477 HydrophobicContact CG-CD2 4.22Å; I2418-L2477 HydrophobicContact CD1-CB 4.39Å; I2418-L2477 HydrophobicContact CG1-CB 3.84Å; I2418-L2477 HydrophobicContact CG1-CD1 4.21Å; T2421-L2477 HydrophobicContact CG2-CD1 3.94Å; Q2473-L2477 HydrophobicContact CG-CD1 4.39Å; Q2473-L2477 WeakPolarHBondContact O-CG 3.35Å; Q2473-L2477 PolarHBondContact O-N 3.08Å; L2474-L2477 PolarHBondContact O-N 3.22Å; I2475-L2477 PolarHBondContact O-N 2.94Å; L2477-H2480 PolarHBondContact O-N 3.45Å; L2477-R2481 VanDerWaalsContact O-CB 3.29Å; L2477-R2481 WeakPolarHBondContact O-CB 3.39Å; L2477-R2481 PolarHBondContact O-N 3.3Å
2478F94.2Very high89.7Confident85.25 Ų85.2552.4 Ų52.437%0.37428%0.279SS..Hα-helixtrans-66.7-38.4173.8-82-67.5000112.8I2418 L2474 I2475 S2476 R2481 G2482I2418-F2478 HydrophobicContact CG2-CE1 4.39Å; I2418-F2478 HydrophobicContact CG2-CE2 4.26Å; I2418-F2478 HydrophobicContact CG2-CZ 3.88Å; L2474-F2478 HydrophobicContact CD1-CD2 4.13Å; L2474-F2478 HydrophobicContact CD1-CE2 3.65Å; L2474-F2478 HydrophobicContact CD2-CE2 4.35Å; L2474-F2478 HydrophobicContact CG-CD2 3.96Å; L2474-F2478 HydrophobicContact CG-CE2 3.77Å; L2474-F2478 VanDerWaalsContact O-CD2 3.28Å; L2474-F2478 WeakPolarHBondContact O-CD2 3.36Å; L2474-F2478 PolarHBondContact O-N 3.26Å; I2475-F2478 PolarHBondContact O-N 3.19Å; S2476-F2478 PolarHBondContact O-N 2.98Å; F2478-R2481 PolarHBondContact O-N 3Å; F2478-G2482 PolarHBondContact O-N 3.2Å
2479L92Very high89.1Confident90.25 Ų90.2552 Ų5247%0.47327%0.274SS..Hα-helixtrans-63.9-46.3174.3-73.1171.9000111.6I2475 S2476 R2481 G2482 Y2483I2475-L2479 HydrophobicContact CG2-CD1 3.97Å; I2475-L2479 HydrophobicContact CG2-CG 4.4Å; I2475-L2479 WeakPolarHBondContact O-CB 3.5Å; I2475-L2479 WeakPolarHBondContact O-CG 3.44Å; I2475-L2479 PolarHBondContact O-N 3.31Å; S2476-L2479 PolarHBondContact O-N 3.28Å; L2479-R2481 PolarHBondContact O-N 2.9Å; L2479-G2482 CarbonylContact O-C 3.52Å; L2479-G2482 VanDerWaalsContact O-CA 3.32Å; L2479-G2482 WeakPolarHBondContact O-CA 3.4Å; L2479-G2482 PolarHBondContact O-N 2.94Å; L2479-G2482 VanDerWaalsContact O-N 3.08Å; L2479-Y2483 HydrophobicContact CB-CE2 4.28Å; L2479-Y2483 VanDerWaalsContact O-CD2 3.27Å; L2479-Y2483 WeakPolarHBondContact O-CD2 3.38Å; L2479-Y2483 PolarHBondContact O-N 3.22Å
2480H92.6Very high88.6Confident5.5 Ų5.550.2 Ų50.23%0.02527%0.265CS..Hα-helixtrans-60.7-45175.6-177.665.9000111.6S2371 W2414 S2476 L2477 G2482 Y2483 L2484S2371-H2480 WeakPolarHBondContact CB-ND1 3.42Å; S2371-H2480 PolarHBondContact OG-ND1 2.96Å; W2414-H2480 AromaticContact CD2-CD2 3.98Å; W2414-H2480 AromaticContact CE2-CD2 3.78Å; W2414-H2480 AromaticContact CE2-NE2 3.59Å; W2414-H2480 AromaticContact CE3-CD2 3.89Å; W2414-H2480 AromaticContact CH2-CD2 3.53Å; W2414-H2480 VanDerWaalsContact CH2-CD2 3.41Å; W2414-H2480 WeakPolarHBondContact CH2-CD2 3.46Å; W2414-H2480 AromaticContact CH2-NE2 3.61Å; W2414-H2480 AromaticContact CZ2-CD2 3.55Å; W2414-H2480 VanDerWaalsContact CZ2-CD2 3.49Å; W2414-H2480 WeakPolarHBondContact CZ2-CD2 3.32Å; W2414-H2480 AromaticContact CZ2-NE2 3.22Å; W2414-H2480 VanDerWaalsContact CZ2-NE2 3.27Å; W2414-H2480 WeakPolarHBondContact CZ2-NE2 3.3Å; W2414-H2480 AromaticContact CZ3-CD2 3.74Å; S2476-H2480 PolarHBondContact O-N 3.15Å; L2477-H2480 PolarHBondContact O-N 3.45Å; H2480-G2482 VanDerWaalsContact C-N 3.26Å; H2480-G2482 PolarHBondContact O-N 3.03Å; H2480-Y2483 PolarHBondContact O-N 3.16Å; H2480-Y2483 VanDerWaalsContact O-N 3.12Å; H2480-L2484 WeakPolarHBondContact NE2-CD1 3.41Å; H2480-L2484 WeakPolarHBondContact O-CG 3.28Å; H2480-L2484 PolarHBondContact O-N 3.35Å
2481R92.2Very high87.4Confident72.75 Ų72.7556.9 Ų56.928%0.27529%0.291SS..Hα-helixtrans-57-37171.4-179.2176.5-174.2-151.62.6112.4L2477 F2478 L2479 L2484 K2485 W2490L2477-R2481 VanDerWaalsContact O-CB 3.29Å; L2477-R2481 WeakPolarHBondContact O-CB 3.39Å; L2477-R2481 PolarHBondContact O-N 3.3Å; F2478-R2481 PolarHBondContact O-N 3Å; L2479-R2481 PolarHBondContact O-N 2.9Å; R2481-L2484 PolarHBondContact O-N 3.43Å; R2481-K2485 HydrophobicContact CG-CD 4.45Å; R2481-K2485 WeakPolarHBondContact O-CB 3.45Å; R2481-K2485 VanDerWaalsContact O-CG 3.29Å; R2481-K2485 WeakPolarHBondContact O-CG 3.34Å; R2481-K2485 PolarHBondContact O-N 3.25Å; R2481-K2485 VanDerWaalsContact O-N 3.1Å; R2481-W2490 HydrophobicContact CB-CE3 4.4Å; R2481-W2490 HydrophobicContact CB-CH2 4.41Å; R2481-W2490 HydrophobicContact CB-CZ3 4.18Å; R2481-W2490 HydrophobicContact CG-CD2 4.25Å; R2481-W2490 HydrophobicContact CG-CE3 3.93Å; R2481-W2490 HydrophobicContact CG-CH2 3.83Å; R2481-W2490 HydrophobicContact CG-CZ2 4.15Å; R2481-W2490 HydrophobicContact CG-CZ3 3.72Å; R2481-W2490 VanDerWaalsContact NE-CZ2 3.34Å
2482G90.2Very high86.1Confident35.75 Ų35.7555.1 Ų55.137%0.36928%0.281SS..Hα-helixtrans-62.9-47.2172.900000112.8F2478 L2479 H2480 K2485 N2486F2478-G2482 PolarHBondContact O-N 3.2Å; L2479-G2482 CarbonylContact O-C 3.52Å; L2479-G2482 VanDerWaalsContact O-CA 3.32Å; L2479-G2482 WeakPolarHBondContact O-CA 3.4Å; L2479-G2482 PolarHBondContact O-N 2.94Å; L2479-G2482 VanDerWaalsContact O-N 3.08Å; H2480-G2482 VanDerWaalsContact C-N 3.26Å; H2480-G2482 PolarHBondContact O-N 3.03Å; G2482-K2485 PolarHBondContact O-N 3.11Å; G2482-N2486 WeakPolarHBondContact O-CB 3.32Å; G2482-N2486 PolarHBondContact O-N 3.08Å
2483Y87.9Confident84.5Confident77.75 Ų77.7558 Ų5831%0.30530%0.295SS..Hα-helixtrans-63.9-42.9176.3-58.2-42.7000112.3I2368 L2479 H2480 K2485 N2486 N2487I2368-Y2483 HydrophobicContact CG1-CD1 4.41Å; I2368-Y2483 HydrophobicContact CG1-CE1 4.04Å; I2368-Y2483 HydrophobicContact CG1-CE2 4.41Å; I2368-Y2483 HydrophobicContact CG2-CD1 4.31Å; I2368-Y2483 HydrophobicContact CG2-CD2 4.49Å; I2368-Y2483 HydrophobicContact CG2-CG 4.23Å; L2479-Y2483 HydrophobicContact CB-CE2 4.28Å; L2479-Y2483 VanDerWaalsContact O-CD2 3.27Å; L2479-Y2483 WeakPolarHBondContact O-CD2 3.38Å; L2479-Y2483 PolarHBondContact O-N 3.22Å; H2480-Y2483 PolarHBondContact O-N 3.16Å; H2480-Y2483 VanDerWaalsContact O-N 3.12Å; Y2483-K2485 VanDerWaalsContact C-N 3.32Å; Y2483-K2485 PolarHBondContact O-N 3.17Å; Y2483-N2486 PolarHBondContact O-N 3.15Å; Y2483-N2487 WeakPolarHBondContact O-CB 3.44Å; Y2483-N2487 VanDerWaalsContact O-CG 3.26Å; Y2483-N2487 PolarHBondContact O-N 3.12Å; Y2483-N2487 VanDerWaalsContact O-N 3.12Å; Y2483-N2487 PolarHBondContact O-ND2 3.19Å
2484L86.5Confident82.9Confident10.25 Ų10.2562.8 Ų62.85%0.05432%0.324CS..Hα-helixtrans-59.1-42.6175.1-67.3-171.3000111.7H2480 R2481 N2487 G2488 L2489 W2490H2480-L2484 WeakPolarHBondContact NE2-CD1 3.41Å; H2480-L2484 WeakPolarHBondContact O-CG 3.28Å; H2480-L2484 PolarHBondContact O-N 3.35Å; R2481-L2484 PolarHBondContact O-N 3.43Å; L2484-N2487 PolarHBondContact O-N 3.4Å; L2484-G2488 CarbonylContact O-C 3.59Å; L2484-G2488 PolarHBondContact O-N 3.13Å; L2484-L2489 HydrophobicContact CD2-CB 4.11Å; L2484-L2489 HydrophobicContact CD2-CD2 3.64Å; L2484-L2489 HydrophobicContact CD2-CG 3.88Å; L2484-L2489 CarbonylContact O-C 3.58Å; L2484-L2489 PolarHBondContact O-N 3.01Å; L2484-L2489 VanDerWaalsContact O-N 3.08Å; L2484-W2490 HydrophobicContact CB-CB 4.35Å; L2484-W2490 HydrophobicContact CB-CE3 4.14Å; L2484-W2490 HydrophobicContact CD1-CE3 3.9Å; L2484-W2490 HydrophobicContact CD1-CZ3 4.1Å
2485K85.6Confident81.3Confident109.25 Ų109.2564.8 Ų64.848%0.47533%0.333SS..Hα-helixtrans-65.6-45.5175.8-76.4178.4175.2-1720113.1R2481 G2482 Y2483 N2487 G2488 W2490R2481-K2485 HydrophobicContact CG-CD 4.45Å; R2481-K2485 WeakPolarHBondContact O-CB 3.45Å; R2481-K2485 VanDerWaalsContact O-CG 3.29Å; R2481-K2485 WeakPolarHBondContact O-CG 3.34Å; R2481-K2485 PolarHBondContact O-N 3.25Å; R2481-K2485 VanDerWaalsContact O-N 3.1Å; G2482-K2485 PolarHBondContact O-N 3.11Å; Y2483-K2485 VanDerWaalsContact C-N 3.32Å; Y2483-K2485 PolarHBondContact O-N 3.17Å; K2485-N2487 VanDerWaalsContact C-N 3.29Å; K2485-N2487 PolarHBondContact O-N 3.02Å; K2485-G2488 PolarHBondContact O-N 3.09Å; K2485-W2490 HydrophobicContact CG-CB 3.77Å; K2485-W2490 HydrophobicContact CG-CD2 4.45Å; K2485-W2490 HydrophobicContact CG-CG 3.79Å
2486N81.3Confident79.5Confident87 Ų8765.3 Ų65.347%0.46533%0.332SS..Hα-helixtrans-64.1-31.7-179.4-18046.7000113K2257 G2482 Y2483 G2488K2257-N2486 PolarHBondContact NZ-O 3.17Å; K2257-N2486 PolarHBondContact NZ-OD1 3.04Å; K2257-N2486 VanDerWaalsContact NZ-OD1 3.13Å; G2482-N2486 WeakPolarHBondContact O-CB 3.32Å; G2482-N2486 PolarHBondContact O-N 3.08Å; Y2483-N2486 PolarHBondContact O-N 3.15Å; N2486-G2488 VanDerWaalsContact C-N 3.31Å
2487N77.5Confident78Confident43.5 Ų43.568.2 Ų68.223%0.23335%0.349CS..THydrogen-bonded Turntrans-85.9-2.5175.7-60.2-9.6000112.7Y2246 Y2483 L2484 K2485 L2489Y2246-N2487 PolarHBondContact OH-ND2 2.99Å; Y2246-N2487 PolarHBondContact OH-OD1 2.81Å; Y2483-N2487 WeakPolarHBondContact O-CB 3.44Å; Y2483-N2487 VanDerWaalsContact O-CG 3.26Å; Y2483-N2487 PolarHBondContact O-N 3.12Å; Y2483-N2487 VanDerWaalsContact O-N 3.12Å; Y2483-N2487 PolarHBondContact O-ND2 3.19Å; L2484-N2487 PolarHBondContact O-N 3.4Å; K2485-N2487 VanDerWaalsContact C-N 3.29Å; K2485-N2487 PolarHBondContact O-N 3.02Å; N2487-L2489 VanDerWaalsContact C-N 3.34Å; N2487-L2489 HydrophobicContact CB-CD1 3.78Å; N2487-L2489 VanDerWaalsContact O-CD1 3.29Å; N2487-L2489 WeakPolarHBondContact O-CD1 3.3Å; N2487-L2489 PolarHBondContact O-N 3.17Å
2488G75.7Confident76.7Confident43.25 Ų43.2573.3 Ų73.345%0.44637%0.372SS..THydrogen-bonded Turntrans84.3-8.1179.600000116.3L2484 K2485 N2486 W2490L2484-G2488 CarbonylContact O-C 3.59Å; L2484-G2488 PolarHBondContact O-N 3.13Å; K2485-G2488 PolarHBondContact O-N 3.09Å; N2486-G2488 VanDerWaalsContact C-N 3.31Å; G2488-W2490 VanDerWaalsContact C-N 3.32Å; G2488-W2490 PolarHBondContact O-N 2.95Å; G2488-W2490 VanDerWaalsContact O-N 3.17Å
2489L76.3Confident75.2Confident62.75 Ų62.7572.3 Ų72.333%0.32937%0.371SS..THydrogen-bonded Turntrans-87.129.7-169.4-116.866.2000114.2R2408 L2484 N2487R2408-L2489 VanDerWaalsContact NH1-CD2 3.26Å; R2408-L2489 PolarHBondContact NH1-O 3.42Å; L2484-L2489 HydrophobicContact CD2-CB 4.11Å; L2484-L2489 HydrophobicContact CD2-CD2 3.64Å; L2484-L2489 HydrophobicContact CD2-CG 3.88Å; L2484-L2489 CarbonylContact O-C 3.58Å; L2484-L2489 PolarHBondContact O-N 3.01Å; L2484-L2489 VanDerWaalsContact O-N 3.08Å; N2487-L2489 VanDerWaalsContact C-N 3.34Å; N2487-L2489 HydrophobicContact CB-CD1 3.78Å; N2487-L2489 VanDerWaalsContact O-CD1 3.29Å; N2487-L2489 WeakPolarHBondContact O-CD1 3.3Å; N2487-L2489 PolarHBondContact O-N 3.17Å
2490W79.7Confident73.9Confident30.75 Ų30.7571.1 Ų71.112%0.11637%0.365CS..THydrogen-bonded Turntrans-108.7-18.7176.6-178.4-89.7000113.8K2411 W2414 I2415 R2481 L2484 K2485 G2488K2411-W2490 WeakPolarHBondContact CD-O 3.45Å; K2411-W2490 HydrophobicContact CG-CZ2 4.3Å; W2414-W2490 HydrophobicContact CB-CH2 3.77Å; W2414-W2490 HydrophobicContact CB-CZ3 3.71Å; W2414-W2490 HydrophobicContact CG-CZ3 4.21Å; I2415-W2490 HydrophobicContact CD1-CZ2 4.11Å; I2415-W2490 HydrophobicContact CG1-CH2 3.99Å; I2415-W2490 HydrophobicContact CG1-CZ2 3.76Å; R2481-W2490 HydrophobicContact CB-CE3 4.4Å; R2481-W2490 HydrophobicContact CB-CH2 4.41Å; R2481-W2490 HydrophobicContact CB-CZ3 4.18Å; R2481-W2490 HydrophobicContact CG-CD2 4.25Å; R2481-W2490 HydrophobicContact CG-CE3 3.93Å; R2481-W2490 HydrophobicContact CG-CH2 3.83Å; R2481-W2490 HydrophobicContact CG-CZ2 4.15Å; R2481-W2490 HydrophobicContact CG-CZ3 3.72Å; R2481-W2490 VanDerWaalsContact NE-CZ2 3.34Å; L2484-W2490 HydrophobicContact CB-CB 4.35Å; L2484-W2490 HydrophobicContact CB-CE3 4.14Å; L2484-W2490 HydrophobicContact CD1-CE3 3.9Å; L2484-W2490 HydrophobicContact CD1-CZ3 4.1Å; K2485-W2490 HydrophobicContact CG-CB 3.77Å; K2485-W2490 HydrophobicContact CG-CD2 4.45Å; K2485-W2490 HydrophobicContact CG-CG 3.79Å; G2488-W2490 VanDerWaalsContact C-N 3.32Å; G2488-W2490 PolarHBondContact O-N 2.95Å; G2488-W2490 VanDerWaalsContact O-N 3.17Å
2491R68.1Low72.8Confident142.75 Ų142.7575.9 Ų75.954%0.53939%0.387SS..SBendtrans-80143.6169.7-77.4-176.1165.4112.1-9109.2E2495 D2499R2491-E2495 WeakPolarHBondContact CA-OE2 3.11Å; R2491-D2499 IonicContact CZ-OD2 2.67Å; R2491-D2499 IonicContact NE-OD2 3.27Å; R2491-D2499 PolarHBondContact NE-OD2 2.92Å; R2491-D2499 IonicContact NH2-OD2 2.76Å; R2491-D2499 PolarHBondContact NH2-OD2 3.12Å
2492D64.8Low71.9Confident59.5 Ų59.576.3 Ų76.332%0.31839%0.394SS..  trans-75.7145.3170.2-65.4-52.6000109K2411 T2494 E2495 F2496K2411-D2492 VanDerWaalsContact CB-OD1 3.32Å; K2411-D2492 WeakPolarHBondContact CB-OD1 3.25Å; K2411-D2492 VanDerWaalsContact CD-OD1 3.27Å; K2411-D2492 WeakPolarHBondContact CD-OD1 3.3Å; K2411-D2492 WeakPolarHBondContact CD-OD2 3.46Å; K2411-D2492 WeakPolarHBondContact CE-OD2 3.47Å; K2411-D2492 IonicContact NZ-OD2 2.77Å; K2411-D2492 PolarHBondContact NZ-OD2 2.74Å; D2492-T2494 PolarHBondContact O-N 3.26Å; D2492-T2494 VanDerWaalsContact O-N 3.09Å; D2492-E2495 HydrophobicContact CB-CG 4.24Å; D2492-E2495 PolarHBondContact N-OE2 3.05Å; D2492-E2495 VanDerWaalsContact N-OE2 3.13Å; D2492-E2495 WeakPolarHBondContact O-CA 3.21Å; D2492-E2495 WeakPolarHBondContact O-CB 3.35Å; D2492-E2495 PolarHBondContact O-N 3.2Å; D2492-F2496 PolarHBondContact O-N 3.18Å; D2492-F2496 VanDerWaalsContact O-N 3.13Å
2493D60.2Low70.5Confident130.5 Ų130.576.8 Ų76.870%0.69839%0.388SS*.Hα-helixtrans-53.6-35.5-177.7-61-42.9000112.1E2495 F2496 T2497D2493-E2495 VanDerWaalsContact C-N 3.33Å; D2493-E2495 PolarHBondContact O-N 3.06Å; D2493-F2496 PolarHBondContact O-N 3.21Å; D2493-T2497 WeakPolarHBondContact O-CG2 3.44Å; D2493-T2497 PolarHBondContact O-N 3Å; D2493-T2497 PolarHBondContact O-OG1 3.25Å; D2493-T2497 VanDerWaalsContact O-OG1 3.06Å
2494T60.2Low69.7Low102.5 Ų102.576.3 Ų76.363%0.62939%0.393SS*.Hα-helixtrans-67.3-31.2177.452.90000113.8D2492 T2497 H2498D2492-T2494 PolarHBondContact O-N 3.26Å; D2492-T2494 VanDerWaalsContact O-N 3.09Å; T2494-T2497 WeakPolarHBondContact CA-OG1 3.4Å; T2494-T2497 PolarHBondContact O-OG1 3.3Å; T2494-T2497 VanDerWaalsContact O-OG1 3.12Å; T2494-H2498 VanDerWaalsContact O-CB 3.27Å; T2494-H2498 WeakPolarHBondContact O-CB 3.32Å; T2494-H2498 PolarHBondContact O-N 3.05Å; T2494-H2498 VanDerWaalsContact O-N 3.1Å
2495E61.1Low68.9Low69.25 Ų69.2581.7 Ų81.732%0.32442%0.418SS..Hα-helixtrans-70.9-42.4173.4-63177.7149.700109.5K2411 R2491 D2492 D2493 H2498 D2499K2411-E2495 IonicContact NZ-OE1 3.02Å; K2411-E2495 PolarHBondContact NZ-OE1 3.08Å; K2411-E2495 IonicContact NZ-OE2 3.07Å; K2411-E2495 PolarHBondContact NZ-OE2 3.18Å; R2491-E2495 WeakPolarHBondContact CA-OE2 3.11Å; D2492-E2495 HydrophobicContact CB-CG 4.24Å; D2492-E2495 PolarHBondContact N-OE2 3.05Å; D2492-E2495 VanDerWaalsContact N-OE2 3.13Å; D2492-E2495 WeakPolarHBondContact O-CA 3.21Å; D2492-E2495 WeakPolarHBondContact O-CB 3.35Å; D2492-E2495 PolarHBondContact O-N 3.2Å; D2493-E2495 VanDerWaalsContact C-N 3.33Å; D2493-E2495 PolarHBondContact O-N 3.06Å; E2495-H2498 PolarHBondContact O-N 3.19Å; E2495-D2499 WeakPolarHBondContact O-CB 3.38Å; E2495-D2499 PolarHBondContact O-N 3.27Å
2496F57.4Low68.1Low101.25 Ų101.2582.9 Ų82.944%0.44443%0.425SS..Hα-helixtrans-66.3-43178.1-179.7-101.9000112.6I2287 D2492 D2493 H2498 D2499 L2500I2287-F2496 HydrophobicContact CD1-CZ 4.1Å; I2287-F2496 HydrophobicContact CG2-CZ 4.36Å; D2492-F2496 PolarHBondContact O-N 3.18Å; D2492-F2496 VanDerWaalsContact O-N 3.13Å; D2493-F2496 PolarHBondContact O-N 3.21Å; F2496-H2498 VanDerWaalsContact C-N 3.32Å; F2496-H2498 PolarHBondContact O-N 3.19Å; F2496-D2499 PolarHBondContact O-N 2.91Å; F2496-L2500 HydrophobicContact CE1-CD2 4.31Å; F2496-L2500 HydrophobicContact CZ-CD2 4.38Å; F2496-L2500 VanDerWaalsContact O-CB 3.28Å; F2496-L2500 WeakPolarHBondContact O-CB 3.35Å; F2496-L2500 PolarHBondContact O-N 2.93Å
2497T60.9Low67.1Low69.5 Ų69.582 Ų8243%0.42642%0.421SS..Hα-helixtrans-65.7-37.2176.154.50000112D2493 T2494 L2500 E2501D2493-T2497 WeakPolarHBondContact O-CG2 3.44Å; D2493-T2497 PolarHBondContact O-N 3Å; D2493-T2497 PolarHBondContact O-OG1 3.25Å; D2493-T2497 VanDerWaalsContact O-OG1 3.06Å; T2494-T2497 WeakPolarHBondContact CA-OG1 3.4Å; T2494-T2497 PolarHBondContact O-OG1 3.3Å; T2494-T2497 VanDerWaalsContact O-OG1 3.12Å; T2497-L2500 PolarHBondContact O-N 3.25Å; T2497-E2501 VanDerWaalsContact O-CB 3.3Å; T2497-E2501 WeakPolarHBondContact O-CB 3.4Å; T2497-E2501 VanDerWaalsContact O-CG 3.32Å; T2497-E2501 WeakPolarHBondContact O-CG 3.36Å; T2497-E2501 PolarHBondContact O-N 3.29Å
2498H67.2Low66.7Low109.5 Ų109.586.3 Ų86.351%0.50744%0.437SS..Hα-helixtrans-70.4-43.4178-169.615.6000112.1T2494 E2495 F2496 L2500 E2501 L2502T2494-H2498 VanDerWaalsContact O-CB 3.27Å; T2494-H2498 WeakPolarHBondContact O-CB 3.32Å; T2494-H2498 PolarHBondContact O-N 3.05Å; T2494-H2498 VanDerWaalsContact O-N 3.1Å; E2495-H2498 PolarHBondContact O-N 3.19Å; F2496-H2498 VanDerWaalsContact C-N 3.32Å; F2496-H2498 PolarHBondContact O-N 3.19Å; H2498-L2500 VanDerWaalsContact C-N 3.29Å; H2498-L2500 PolarHBondContact O-N 3.1Å; H2498-E2501 PolarHBondContact O-N 3.34Å; H2498-L2502 WeakPolarHBondContact ND1-CD1 3.24Å; H2498-L2502 WeakPolarHBondContact O-CB 3.33Å; H2498-L2502 VanDerWaalsContact O-CG 3.3Å; H2498-L2502 WeakPolarHBondContact O-CG 3.28Å; H2498-L2502 PolarHBondContact O-N 3.31Å
2499D62.7Low66.3Low63.75 Ų63.7587 Ų8734%0.34144%0.439SS..Hα-helixtrans-58.1-43.6172.1-79.8-3.7000110.4R2491 E2495 F2496 L2502 I2503R2491-D2499 IonicContact CZ-OD2 2.67Å; R2491-D2499 IonicContact NE-OD2 3.27Å; R2491-D2499 PolarHBondContact NE-OD2 2.92Å; R2491-D2499 IonicContact NH2-OD2 2.76Å; R2491-D2499 PolarHBondContact NH2-OD2 3.12Å; E2495-D2499 WeakPolarHBondContact O-CB 3.38Å; E2495-D2499 PolarHBondContact O-N 3.27Å; F2496-D2499 PolarHBondContact O-N 2.91Å; D2499-L2502 PolarHBondContact O-N 3.01Å; D2499-I2503 WeakPolarHBondContact O-CB 3.2Å; D2499-I2503 WeakPolarHBondContact O-CD1 3.41Å; D2499-I2503 VanDerWaalsContact O-CG1 3.27Å; D2499-I2503 WeakPolarHBondContact O-CG1 3.4Å; D2499-I2503 PolarHBondContact O-N 3.25Å
2500L64.8Low65.7Low65.25 Ų65.2586.4 Ų86.434%0.34244%0.443SS..Hα-helixtrans-67.5-40.1179.5-165.870.5000112.5L2284 I2287 F2496 T2497 H2498 I2503 V2504L2284-L2500 HydrophobicContact CD1-CD1 4.02Å; L2284-L2500 HydrophobicContact CD2-CD1 3.9Å; L2284-L2500 HydrophobicContact CD2-CD2 4.5Å; L2284-L2500 HydrophobicContact CD2-CG 3.98Å; L2284-L2500 HydrophobicContact CG-CD1 4.08Å; I2287-L2500 HydrophobicContact CG2-CD2 4.37Å; F2496-L2500 HydrophobicContact CE1-CD2 4.31Å; F2496-L2500 HydrophobicContact CZ-CD2 4.38Å; F2496-L2500 VanDerWaalsContact O-CB 3.28Å; F2496-L2500 WeakPolarHBondContact O-CB 3.35Å; F2496-L2500 PolarHBondContact O-N 2.93Å; T2497-L2500 PolarHBondContact O-N 3.25Å; H2498-L2500 VanDerWaalsContact C-N 3.29Å; H2498-L2500 PolarHBondContact O-N 3.1Å; L2500-I2503 PolarHBondContact O-N 3.02Å; L2500-V2504 WeakPolarHBondContact O-CB 3.34Å; L2500-V2504 VanDerWaalsContact O-CG2 3.3Å; L2500-V2504 WeakPolarHBondContact O-CG2 3.39Å; L2500-V2504 PolarHBondContact O-N 2.9Å
2501E69.2Low64.6Low108 Ų10891.7 Ų91.751%0.50547%0.469SS..Hα-helixtrans-65.1-41.4175.2-97.8174.5-167.800111.7T2497 H2498 V2504 Q2505 Q2558T2497-E2501 VanDerWaalsContact O-CB 3.3Å; T2497-E2501 WeakPolarHBondContact O-CB 3.4Å; T2497-E2501 VanDerWaalsContact O-CG 3.32Å; T2497-E2501 WeakPolarHBondContact O-CG 3.36Å; T2497-E2501 PolarHBondContact O-N 3.29Å; H2498-E2501 PolarHBondContact O-N 3.34Å; E2501-V2504 PolarHBondContact O-N 3.04Å; E2501-Q2505 VanDerWaalsContact O-CB 3.3Å; E2501-Q2505 WeakPolarHBondContact O-CB 3.42Å; E2501-Q2505 WeakPolarHBondContact O-CG 3.36Å; E2501-Q2505 PolarHBondContact O-N 2.91Å; E2501-Q2558 PolarHBondContact OE1-NE2 3.47Å
2502L73.1Confident64.2Low79.75 Ų79.7590.6 Ų90.642%0.41847%0.473SS..Hα-helixtrans-60.6-47.6173.4-73.8169.8000111.4H2498 D2499 V2504 Q2505 E2506H2498-L2502 WeakPolarHBondContact ND1-CD1 3.24Å; H2498-L2502 WeakPolarHBondContact O-CB 3.33Å; H2498-L2502 VanDerWaalsContact O-CG 3.3Å; H2498-L2502 WeakPolarHBondContact O-CG 3.28Å; H2498-L2502 PolarHBondContact O-N 3.31Å; D2499-L2502 PolarHBondContact O-N 3.01Å; L2502-V2504 VanDerWaalsContact C-N 3.31Å; L2502-V2504 PolarHBondContact O-N 2.99Å; L2502-Q2505 WeakPolarHBondContact O-CB 2.95Å; L2502-Q2505 PolarHBondContact O-N 3.39Å; L2502-Q2505 VanDerWaalsContact O-N 3.13Å; L2502-E2506 WeakPolarHBondContact O-CB 3.4Å; L2502-E2506 PolarHBondContact O-N 3.44Å
2503I61.3Low63.6Low47.25 Ų47.2591.5 Ų91.524%0.24248%0.484CS..Hα-helixtrans-62.3-38.1177.8-68.5162.9000111.4E2280 L2284 D2499 L2500 Q2505 E2506 N2507E2280-I2503 HydrophobicContact CB-CG2 4.16Å; L2284-I2503 HydrophobicContact CD1-CG2 3.79Å; D2499-I2503 WeakPolarHBondContact O-CB 3.2Å; D2499-I2503 WeakPolarHBondContact O-CD1 3.41Å; D2499-I2503 VanDerWaalsContact O-CG1 3.27Å; D2499-I2503 WeakPolarHBondContact O-CG1 3.4Å; D2499-I2503 PolarHBondContact O-N 3.25Å; L2500-I2503 PolarHBondContact O-N 3.02Å; I2503-Q2505 VanDerWaalsContact C-N 3.33Å; I2503-E2506 PolarHBondContact O-N 3.29Å; I2503-N2507 WeakPolarHBondContact CG2-ND2 3.38Å; I2503-N2507 WeakPolarHBondContact O-CB 3.42Å; I2503-N2507 PolarHBondContact O-N 3.02Å; I2503-N2507 PolarHBondContact O-ND2 3.26Å
2504V69.6Low62.9Low66.75 Ų66.7590.3 Ų90.341%0.40549%0.485SS..Hα-helixtrans-67.8-37175167.80000111.7L2284 L2500 E2501 L2502 K2508L2284-V2504 HydrophobicContact CD1-CG2 4.09Å; L2284-V2504 HydrophobicContact CD2-CG2 4Å; L2500-V2504 WeakPolarHBondContact O-CB 3.34Å; L2500-V2504 VanDerWaalsContact O-CG2 3.3Å; L2500-V2504 WeakPolarHBondContact O-CG2 3.39Å; L2500-V2504 PolarHBondContact O-N 2.9Å; E2501-V2504 PolarHBondContact O-N 3.04Å; L2502-V2504 VanDerWaalsContact C-N 3.31Å; L2502-V2504 PolarHBondContact O-N 2.99Å; V2504-K2508 HydrophobicContact CG1-CD 4.39Å; V2504-K2508 WeakPolarHBondContact O-CB 3.44Å; V2504-K2508 VanDerWaalsContact O-CG 3.29Å; V2504-K2508 WeakPolarHBondContact O-CG 3.35Å; V2504-K2508 PolarHBondContact O-N 3.18Å; V2504-K2508 VanDerWaalsContact O-N 3.14Å
2505Q70.1Confident62.4Low124 Ų12490.3 Ų90.358%0.57949%0.488SS*.Hα-helixtrans-68.9-42.1174.9-91.4178.825.200111.9E2501 L2502 I2503 K2508 A2509E2501-Q2505 VanDerWaalsContact O-CB 3.3Å; E2501-Q2505 WeakPolarHBondContact O-CB 3.42Å; E2501-Q2505 WeakPolarHBondContact O-CG 3.36Å; E2501-Q2505 PolarHBondContact O-N 2.91Å; L2502-Q2505 WeakPolarHBondContact O-CB 2.95Å; L2502-Q2505 PolarHBondContact O-N 3.39Å; L2502-Q2505 VanDerWaalsContact O-N 3.13Å; I2503-Q2505 VanDerWaalsContact C-N 3.33Å; Q2505-K2508 PolarHBondContact O-N 3.2Å; Q2505-A2509 WeakPolarHBondContact O-CB 3.36Å; Q2505-A2509 PolarHBondContact O-N 3.17Å
2506E69.1Low61.8Low134 Ų13495.3 Ų95.363%0.62651%0.509SS*.Hα-helixtrans-64.9-44.8177.8-154.3173.2-170.600111.9L2502 I2503 K2508 A2509 A2510L2502-E2506 WeakPolarHBondContact O-CB 3.4Å; L2502-E2506 PolarHBondContact O-N 3.44Å; I2503-E2506 PolarHBondContact O-N 3.29Å; E2506-K2508 VanDerWaalsContact C-N 3.32Å; E2506-K2508 PolarHBondContact O-N 3.11Å; E2506-A2509 WeakPolarHBondContact O-CB 3.33Å; E2506-A2509 PolarHBondContact O-N 3.09Å; E2506-A2509 VanDerWaalsContact O-N 3.13Å; E2506-A2510 WeakPolarHBondContact O-CB 3.33Å; E2506-A2510 PolarHBondContact O-N 3.04Å
2507N60.4Low61Low69.25 Ų69.2599.3 Ų99.337%0.3753%0.529SS..Hα-helixtrans-62.7-38.4174.6-82.4-79.3000112.3I2503 A2509 A2510 Q2511I2503-N2507 WeakPolarHBondContact CG2-ND2 3.38Å; I2503-N2507 WeakPolarHBondContact O-CB 3.42Å; I2503-N2507 PolarHBondContact O-N 3.02Å; I2503-N2507 PolarHBondContact O-ND2 3.26Å; N2507-A2509 VanDerWaalsContact C-N 3.34Å; N2507-A2509 PolarHBondContact O-N 3.34Å; N2507-A2510 PolarHBondContact O-N 3.11Å; N2507-Q2511 WeakPolarHBondContact O-CG 3.39Å; N2507-Q2511 PolarHBondContact O-N 3.12Å
2508K68.6Low59.8Low133.25 Ų133.2599.5 Ų99.558%0.57955%0.545SS*.Hα-helixtrans-64.7-39.3173.1-97.3175.2-179.5177.10111.9V2504 Q2505 E2506 Q2511 L2512V2504-K2508 HydrophobicContact CG1-CD 4.39Å; V2504-K2508 WeakPolarHBondContact O-CB 3.44Å; V2504-K2508 VanDerWaalsContact O-CG 3.29Å; V2504-K2508 WeakPolarHBondContact O-CG 3.35Å; V2504-K2508 PolarHBondContact O-N 3.18Å; V2504-K2508 VanDerWaalsContact O-N 3.14Å; Q2505-K2508 PolarHBondContact O-N 3.2Å; E2506-K2508 VanDerWaalsContact C-N 3.32Å; E2506-K2508 PolarHBondContact O-N 3.11Å; K2508-Q2511 PolarHBondContact O-N 3.46Å; K2508-L2512 WeakPolarHBondContact O-CB 3.39Å; K2508-L2512 WeakPolarHBondContact O-CD1 3.3Å; K2508-L2512 WeakPolarHBondContact O-CG 3.36Å; K2508-L2512 PolarHBondContact O-N 2.96Å; K2508-L2512 VanDerWaalsContact O-N 3.15Å
2509A68.5Low58.1Low58.25 Ų58.25100.8 Ų100.848%0.48156%0.561SS.*Hα-helixtrans-66.5-40.2175.900000112.3Q2505 E2506 N2507 L2512 S2513Q2505-A2509 WeakPolarHBondContact O-CB 3.36Å; Q2505-A2509 PolarHBondContact O-N 3.17Å; E2506-A2509 WeakPolarHBondContact O-CB 3.33Å; E2506-A2509 PolarHBondContact O-N 3.09Å; E2506-A2509 VanDerWaalsContact O-N 3.13Å; N2507-A2509 VanDerWaalsContact C-N 3.34Å; N2507-A2509 PolarHBondContact O-N 3.34Å; A2509-L2512 PolarHBondContact O-N 3.13Å; A2509-S2513 PolarHBondContact O-N 3.25Å; A2509-S2513 PolarHBondContact O-OG 3.12Å
2510A62.1Low56.7Low49.75 Ų49.75103.3 Ų103.341%0.41158%0.584SS.*Hα-helixtrans-65.7-38.9176.400000112.8E2506 N2507 L2512 S2513 C2514E2506-A2510 WeakPolarHBondContact O-CB 3.33Å; E2506-A2510 PolarHBondContact O-N 3.04Å; N2507-A2510 PolarHBondContact O-N 3.11Å; A2510-L2512 VanDerWaalsContact C-N 3.32Å; A2510-L2512 PolarHBondContact O-N 2.91Å; A2510-S2513 PolarHBondContact O-N 3.03Å; A2510-S2513 PolarHBondContact O-OG 3.16Å; A2510-S2513 VanDerWaalsContact O-OG 3.06Å; A2510-C2514 WeakPolarHBondContact O-CB 3.3Å; A2510-C2514 PolarHBondContact O-N 3.09Å; A2510-C2514 VanDerWaalsContact O-N 3.1Å
2511Q57Low55.5Low142 Ų142105.7 Ų105.766%0.66461%0.606SS**Hα-helixtrans-65.5-38.2172.8-71.5175.6-000111.8N2507 K2508 S2513 S2515N2507-Q2511 WeakPolarHBondContact O-CG 3.39Å; N2507-Q2511 PolarHBondContact O-N 3.12Å; K2508-Q2511 PolarHBondContact O-N 3.46Å; Q2511-S2513 VanDerWaalsContact C-N 3.35Å; Q2511-S2513 PolarHBondContact O-N 3.07Å; Q2511-S2515 WeakPolarHBondContact O-CB 3.26Å; Q2511-S2515 PolarHBondContact O-N 3Å
2512L59.2Low53.9Low120.25 Ų120.25111.8 Ų111.863%0.6362%0.624SS**Hα-helixtrans-71.1-25.7177-84.6161.1000114.2K2508 A2509 A2510K2508-L2512 WeakPolarHBondContact O-CB 3.39Å; K2508-L2512 WeakPolarHBondContact O-CD1 3.3Å; K2508-L2512 WeakPolarHBondContact O-CG 3.36Å; K2508-L2512 PolarHBondContact O-N 2.96Å; K2508-L2512 VanDerWaalsContact O-N 3.15Å; A2509-L2512 PolarHBondContact O-N 3.13Å; A2510-L2512 VanDerWaalsContact C-N 3.32Å; A2510-L2512 PolarHBondContact O-N 2.91Å
2513S52.5Low52Low77 Ų77115.9 Ų115.954%0.53864%0.641SS.*Hα-helixtrans-83.6-40.9175.162.80000112.3A2509 A2510 Q2511 S2515 K2516A2509-S2513 PolarHBondContact O-N 3.25Å; A2509-S2513 PolarHBondContact O-OG 3.12Å; A2510-S2513 PolarHBondContact O-N 3.03Å; A2510-S2513 PolarHBondContact O-OG 3.16Å; A2510-S2513 VanDerWaalsContact O-OG 3.06Å; Q2511-S2513 VanDerWaalsContact C-N 3.35Å; Q2511-S2513 PolarHBondContact O-N 3.07Å; S2513-S2515 VanDerWaalsContact C-N 3.28Å; S2513-S2515 PolarHBondContact O-N 3.01Å; S2513-K2516 PolarHBondContact O-N 3.26Å; S2513-K2516 VanDerWaalsContact O-N 3.12Å
2514C47Very low50.7Low105.75 Ų105.75121.5 Ų121.572%0.71567%0.671SS**Hα-helixtrans-64.8-29.2178.2-138.60000112.8A2510 K2516A2510-C2514 WeakPolarHBondContact O-CB 3.3Å; A2510-C2514 PolarHBondContact O-N 3.09Å; A2510-C2514 VanDerWaalsContact O-N 3.1Å; C2514-K2516 VanDerWaalsContact C-N 3.35Å; C2514-K2516 PolarHBondContact O-N 3.1Å
2515S49.6Very low49.1Very low101.5 Ų101.5122.7 Ų122.771%0.7169%0.688SS**THydrogen-bonded Turntrans-70.3-2177.4-172.30000115.2Q2511 S2513Q2511-S2515 WeakPolarHBondContact O-CB 3.26Å; Q2511-S2515 PolarHBondContact O-N 3Å; S2513-S2515 VanDerWaalsContact C-N 3.28Å; S2513-S2515 PolarHBondContact O-N 3.01Å
2516K47.6Very low47.5Very low174.5 Ų174.5121.8 Ų121.876%0.75970%0.695SS**THydrogen-bonded Turntrans-106.84.6-173.5-73.4-174.3177.1-179.20115.9S2513 C2514S2513-K2516 PolarHBondContact O-N 3.26Å; S2513-K2516 VanDerWaalsContact O-N 3.12Å; C2514-K2516 VanDerWaalsContact C-N 3.35Å; C2514-K2516 PolarHBondContact O-N 3.1Å
2517Q41Very low45.6Very low185.25 Ų185.25121.5 Ų121.587%0.86671%0.708SS**SBendtrans-128.755.4178.4-70.8-177.7-15.300112.5
2518G35.4Very low44.3Very low73.75 Ų73.75121.7 Ų121.776%0.7673%0.727SS**  trans-155.256.4-176.900000116S2520G2518-S2520 PolarHBondContact O-N 3.11Å
2519T32.3Very low42.5Very low137.75 Ų137.75122 Ų12285%0.84574%0.739SS**  trans-114.681.8178.231.30000112.7
2520S33.2Very low40.4Very low115.75 Ų115.75125.2 Ų125.281%0.80976%0.756SS**  trans-168.4149.7151-97.30000113.8G2518G2518-S2520 PolarHBondContact O-N 3.11Å
2521S38.6Very low39Very low116.25 Ų116.25130.4 Ų130.481%0.81378%0.777SS**  trans71.295.7163.238.70000120.8
2522R36.1Very low37.6Very low236.25 Ų236.25131.3 Ų131.389%0.89279%0.786SS**  trans56.7122.5138.2-85.6-175.1165.7157.5-2.3122.6
2523Q33.8Very low36.3Very low165.5 Ų165.5135.2 Ų135.277%0.77380%0.798SS**  trans-11.5142.1146.3-62.4160.8-41.500116.1
2524L33.8Very low35.4Very low164 Ų164136.5 Ų136.586%0.85981%0.807SS**  -168158.592.9-131.899.1000112
2525A36.2Very low34.6Very low91.75 Ų91.75140.6 Ų140.676%0.75881%0.812SS**  trans51.1144.3173.700000118.6
2526S34.8Very low33.8Very low106.5 Ų106.5141.1 Ų141.175%0.74581%0.812SS**  cis-179.4132.411.456.40000114.1
2527S30.5Very low33.1Very low127.25 Ų127.25139.2 Ų139.289%0.8981%0.81SS**  trans48.9108.5150.5-560000119.4
2528G32.7Very low32.7Very low73.75 Ų73.75138.7 Ų138.776%0.7681%0.812SS**  trans-171.6102.6148.200000112C2530G2528-C2530 PolarHBondContact O-N 3.05Å
2529V30.5Very low32.6Very low139 Ų139138.9 Ų138.984%0.84281%0.814SS**  trans-81113171.3178.70000112.6L2531V2529-L2531 HydrophobicContact CG1-CB 4.39Å
2530C25.2Very low32.6Very low124.75 Ų124.75140.9 Ų140.984%0.84381%0.811SS**  trans-106.7125.6161.2-70.20000109.5G2528 N2532G2528-C2530 PolarHBondContact O-N 3.05Å; C2530-N2532 PolarHBondContact O-N 3.39Å
2531L31.4Very low32.6Very low160.5 Ų160.5140.8 Ų140.884%0.8480%0.801SS**  trans-119.9106173.2-155.882.9000111.5V2529V2529-L2531 HydrophobicContact CG1-CB 4.39Å
2532N27.6Very low32.4Very low161 Ų161142.9 Ų142.986%0.86180%0.803SS**  trans-82.8137.9164.9-71.2-31.4000109.4C2530C2530-N2532 PolarHBondContact O-N 3.39Å
2533K33.5Very low32.2Very low201.25 Ų201.25135.4 Ų135.488%0.87580%0.799SS**  trans-145.2129156.6-150.1175.2-177.4-178.40112.3
2534S31.7Very low32Very low103.75 Ų103.75134.5 Ų134.573%0.72680%0.799SS**  trans-81.4153.3172.575.10000111.7
2535K31Very low31.7Very low192 Ų192135.7 Ų135.784%0.83580%0.798SS**  trans-8.8133.6139.8-109.9-179.4175.4-178.80115.4
2536T32Very low31.3Very low112.75 Ų112.75138 Ų13869%0.69280%0.803SS**  -143.5158.998.743.50000112.9
2537D33.1Very low31Very low135.25 Ų135.25136.7 Ų136.772%0.72381%0.806SS**  trans76.9135.4136.6-67-25.7000119.6
2538L32.7Very low31Very low174.25 Ų174.25134.2 Ų134.291%0.91280%0.8SS**  trans70.5135.2143-99.169000117.3
2539G33.8Very low30.7Very low77.25 Ų77.25136.6 Ų136.680%0.79680%0.804SS**  trans138.874.7156.200000117.6
2540K31.5Very low30.5Very low180.75 Ų180.75137.5 Ų137.579%0.78680%0.804SS**  trans-26.7143.6159-112.6-180135.3168.20116.7
2541D34.4Very low30.6Very low113.75 Ų113.75139.3 Ų139.361%0.60880%0.802SS**  156.2136.777.6-71.9-23.5000114.6
2542D34.5Very low30.4Very low159.75 Ų159.75139.6 Ų139.685%0.85480%0.797SS**  71.8122.2120.4-64.3-23.1000119.6
2543G31.8Very low30.4Very low78 Ų78137.5 Ų137.580%0.80479%0.789SS**  trans125.675.3139.900000118.2F2545G2543-F2545 PolarHBondContact O-N 3.3Å
2544L28.6Very low30.1Very low148.25 Ų148.25134.8 Ų134.878%0.77678%0.78SS**  trans-122.7126160.7-17067.5000114.7T2546L2544-T2546 PolarHBondContact O-N 3.49Å; L2544-T2546 VanDerWaalsContact O-N 3.16Å
2545F27.7Very low29.9Very low187.5 Ų187.5136.9 Ų136.982%0.82278%0.783SS**  trans40.6118.3153.9-88.7-76.9000117G2543G2543-F2545 PolarHBondContact O-N 3.3Å
2546T28.3Very low29.7Very low141.25 Ų141.25135.3 Ų135.387%0.86777%0.772SS**  trans-141.3126.2149.338.80000112.9L2544L2544-T2546 PolarHBondContact O-N 3.49Å; L2544-T2546 VanDerWaalsContact O-N 3.16Å
2547G29.3Very low29.4Very low79.5 Ų79.5134.3 Ų134.382%0.8277%0.768SS**  trans141.1119147.800000113.6C2549G2547-C2549 PolarHBondContact O-N 3.06Å
2548G29.9Very low29.2Very low73.25 Ų73.25134.7 Ų134.776%0.75577%0.765SS**  trans11190.2138.400000115.6N2550G2548-N2550 VanDerWaalsContact C-N 3.35Å; G2548-N2550 PolarHBondContact O-N 3.37Å
2549C25.3Very low29Very low124.25 Ų124.25131.7 Ų131.784%0.8475%0.754SS**  trans-52.497.2173-73.20000114.2G2547G2547-C2549 PolarHBondContact O-N 3.06Å
2550N27.8Very low28.7Very low157.5 Ų157.5131.5 Ų131.584%0.84274%0.741SS**  trans-147.191.7162.3-88.9-37.8000110.2G2548 F2552G2548-N2550 VanDerWaalsContact C-N 3.35Å; G2548-N2550 PolarHBondContact O-N 3.37Å; N2550-F2552 PolarHBondContact O-N 3.23Å
2551M26.8Very low28.5Very low164 Ų164130.1 Ų130.181%0.80874%0.737SS**  trans-115.2111.4177.1-151.3177-51.900111.3Q2301 V2553Q2301-M2551 PolarHBondContact OE1-O 2.92Å; M2551-V2553 VanDerWaalsContact C-N 3.33Å; M2551-V2553 PolarHBondContact O-N 3.04Å
2552F26.1Very low28.2Very low166.25 Ų166.25133.1 Ų133.173%0.72974%0.741SS**  trans-82.571.9177.7-126.5-89.8000113.7N2299 P2300 Q2301 N2550 Q2554N2299-F2552 PolarHBondContact OD1-O 3.17Å; P2300-F2552 HydrophobicContact CG-CD1 4.4Å; Q2301-F2552 HydrophobicContact CG-CB 3.66Å; N2550-F2552 PolarHBondContact O-N 3.23Å; F2552-Q2554 VanDerWaalsContact C-N 3.29Å; F2552-Q2554 HydrophobicContact CD1-CB 3.93Å; F2552-Q2554 HydrophobicContact CD1-CG 4.3Å; F2552-Q2554 HydrophobicContact CE1-CB 4.02Å; F2552-Q2554 HydrophobicContact CE1-CG 3.87Å; F2552-Q2554 PolarHBondContact O-N 3.35Å
2553V28.2Very low28Very low116.5 Ų116.5130.2 Ų130.271%0.70673%0.731SS**  trans-88.890.4155-178.20000107N2299 M2551 L2555N2299-V2553 WeakPolarHBondContact ND2-CG2 3.35Å; N2299-V2553 VanDerWaalsContact OD1-CG2 3.31Å; N2299-V2553 WeakPolarHBondContact OD1-CG2 3.21Å; M2551-V2553 VanDerWaalsContact C-N 3.33Å; M2551-V2553 PolarHBondContact O-N 3.04Å; V2553-L2555 VanDerWaalsContact C-N 3.26Å; V2553-L2555 HydrophobicContact CG1-CD1 4.23Å; V2553-L2555 PolarHBondContact O-N 2.95Å
2554Q27.1Very low27.9Very low144 Ų144132 Ų13267%0.67373%0.731SS**  trans-76.680.3177.6-161.6167.721.300109.4F2552 Y2556F2552-Q2554 VanDerWaalsContact C-N 3.29Å; F2552-Q2554 HydrophobicContact CD1-CB 3.93Å; F2552-Q2554 HydrophobicContact CD1-CG 4.3Å; F2552-Q2554 HydrophobicContact CE1-CB 4.02Å; F2552-Q2554 HydrophobicContact CE1-CG 3.87Å; F2552-Q2554 PolarHBondContact O-N 3.35Å; Q2554-Y2556 VanDerWaalsContact C-N 3.32Å; Q2554-Y2556 PolarHBondContact O-N 3.1Å; Q2554-Y2556 VanDerWaalsContact O-N 3.11Å
2555L27.5Very low28.1Very low149.75 Ų149.75130.7 Ų130.778%0.78473%0.729SS**  trans-51.5108.7163.1-14476.5000107.1V2553 P2557V2553-L2555 VanDerWaalsContact C-N 3.26Å; V2553-L2555 HydrophobicContact CG1-CD1 4.23Å; V2553-L2555 PolarHBondContact O-N 2.95Å; L2555-P2557 WeakPolarHBondContact O-CD 3.49Å; L2555-P2557 VanDerWaalsContact O-N 3.17Å
2556Y27.4Very low28.3Very low157.25 Ų157.25126.9 Ų126.962%0.61773%0.733SS**  trans-55.8125.2179-92.4-99.7000108.8Q2554 Q2558 R2592Q2554-Y2556 VanDerWaalsContact C-N 3.32Å; Q2554-Y2556 PolarHBondContact O-N 3.1Å; Q2554-Y2556 VanDerWaalsContact O-N 3.11Å; Y2556-Q2558 VanDerWaalsContact C-N 3.28Å; Y2556-Q2558 PolarHBondContact O-N 3.01Å; Y2556-Q2558 VanDerWaalsContact O-N 3.11Å; Y2556-R2592 VanDerWaalsContact CE1-NH2 3.27Å
2557P26.4Very low28.5Very low93 Ų93125.4 Ų125.460%0.60473%0.728SS**  trans-61.4122.217924.2-31.8000108.3L2555 T2559L2555-P2557 WeakPolarHBondContact O-CD 3.49Å; L2555-P2557 VanDerWaalsContact O-N 3.17Å; P2557-T2559 VanDerWaalsContact C-N 3.26Å; P2557-T2559 PolarHBondContact O-N 3.26Å; P2557-T2559 VanDerWaalsContact O-N 3.11Å
2558Q28Very low28.6Very low142 Ų142125.7 Ų125.766%0.66473%0.731SS**  trans-51.6118165.9-71.3-178.2-6.400107.6E2501 Y2556 S2560 H2561E2501-Q2558 PolarHBondContact OE1-NE2 3.47Å; Y2556-Q2558 VanDerWaalsContact C-N 3.28Å; Y2556-Q2558 PolarHBondContact O-N 3.01Å; Y2556-Q2558 VanDerWaalsContact O-N 3.11Å; Q2558-S2560 VanDerWaalsContact C-N 3.26Å; Q2558-S2560 PolarHBondContact O-N 2.92Å; Q2558-S2560 VanDerWaalsContact O-N 3.13Å; Q2558-H2561 PolarHBondContact OE1-CD2 3.17Å; Q2558-H2561 VanDerWaalsContact OE1-CD2 3.29Å
2559T28.2Very low28.6Very low112.25 Ų112.25125.8 Ų125.869%0.68973%0.732SS**SBendtrans-62102.7171.442.80000108.8P2557 H2561P2557-T2559 VanDerWaalsContact C-N 3.26Å; P2557-T2559 PolarHBondContact O-N 3.26Å; P2557-T2559 VanDerWaalsContact O-N 3.11Å; T2559-H2561 PolarHBondContact O-N 3.08Å; T2559-H2561 VanDerWaalsContact O-N 3.16Å
2560S28.8Very low28.9Very low72.75 Ų72.75124.4 Ų124.451%0.50974%0.739SS.*  trans43.783.4168.756.40000114.8Q2558 Y2562Q2558-S2560 VanDerWaalsContact C-N 3.26Å; Q2558-S2560 PolarHBondContact O-N 2.92Å; Q2558-S2560 VanDerWaalsContact O-N 3.13Å; S2560-Y2562 VanDerWaalsContact C-N 3.32Å; S2560-Y2562 PolarHBondContact O-N 3.17Å; S2560-Y2562 WeakPolarHBondContact OG-CD2 3.32Å; S2560-Y2562 WeakPolarHBondContact OG-CE2 3.46Å
2561H27.1Very low29Very low152.25 Ų152.25120.2 Ų120.271%0.70573%0.733SS**  trans-59.496.8139.4-112.3-74.6000107Q2558 T2559Q2558-H2561 PolarHBondContact OE1-CD2 3.17Å; Q2558-H2561 VanDerWaalsContact OE1-CD2 3.29Å; T2559-H2561 PolarHBondContact O-N 3.08Å; T2559-H2561 VanDerWaalsContact O-N 3.16Å
2562Y28.5Very low29.5Very low175 Ų175115.6 Ų115.669%0.68673%0.727SS**  trans-62.2135.8161.4-76.5-84.8000107.3S2560 S2564S2560-Y2562 VanDerWaalsContact C-N 3.32Å; S2560-Y2562 PolarHBondContact O-N 3.17Å; S2560-Y2562 WeakPolarHBondContact OG-CD2 3.32Å; S2560-Y2562 WeakPolarHBondContact OG-CE2 3.46Å; Y2562-S2564 PolarHBondContact O-N 3.12Å
2563P29.7Very low30.6Very low100 Ų100117 Ų11765%0.64973%0.733SS**  trans-64.9115.7179.726.2-32.7000109.1T2565P2563-T2565 VanDerWaalsContact C-N 3.31Å; P2563-T2565 HydrophobicContact CB-CG2 4.08Å; P2563-T2565 HydrophobicContact CG-CG2 4.08Å; P2563-T2565 PolarHBondContact O-N 3.23Å
2564S30.1Very low32Very low114.75 Ų114.75116.5 Ų116.580%0.80273%0.73SS**  trans-73.277.5168.1-6.80000109.2Y2562 A2566Y2562-S2564 PolarHBondContact O-N 3.12Å; S2564-A2566 PolarHBondContact O-N 3.16Å; S2564-A2566 VanDerWaalsContact O-N 3.08Å
2565T33Very low33.3Very low121.25 Ų121.25120 Ų12074%0.74474%0.737SS**  trans-62.6109.6167.141.50000108.8P2563 S2567P2563-T2565 VanDerWaalsContact C-N 3.31Å; P2563-T2565 HydrophobicContact CB-CG2 4.08Å; P2563-T2565 HydrophobicContact CG-CG2 4.08Å; P2563-T2565 PolarHBondContact O-N 3.23Å; T2565-S2567 PolarHBondContact O-N 3.25Å; T2565-S2567 VanDerWaalsContact O-N 3.12Å
2566A30.9Very low35.2Very low108.25 Ų108.25117 Ų11790%0.89572%0.723SS**  trans-73.799.4176.500000110.7S2564S2564-A2566 PolarHBondContact O-N 3.16Å; S2564-A2566 VanDerWaalsContact O-N 3.08Å
2567S32.8Very low37.6Very low109.25 Ų109.25114 Ų11476%0.76472%0.722SS**  trans-142142.8153.664.40000109T2565T2565-S2567 PolarHBondContact O-N 3.25Å; T2565-S2567 VanDerWaalsContact O-N 3.12Å
2568G30.7Very low40.1Very low86.75 Ų86.75116 Ų11689%0.89473%0.727SS**  trans-69.9148-167.600000114.7
2569G30.6Very low42.6Very low74.25 Ų74.25113.2 Ų113.277%0.76572%0.719SS**  trans-176.8106.817200000111.4G2571G2569-G2571 PolarHBondContact O-N 3.12Å
2570G30.5Very low45.2Very low95.5 Ų95.5114.2 Ų114.299%0.98571%0.714SS**  trans-69.790.6176.400000112G2572G2570-G2572 PolarHBondContact O-N 2.87Å
2571G30.5Very low47.7Very low69 Ų69114.1 Ų114.171%0.71171%0.708SS**  trans-108.7123.3177.800000111.7G2569 K2573G2569-G2571 PolarHBondContact O-N 3.12Å; G2571-K2573 PolarHBondContact O-N 2.95Å
2572G36.7Very low50.4Low68 Ų68113.8 Ų113.870%0.70170%0.704SS**  trans-57.2135.9-174.400000113.8G2570 T2574G2570-G2572 PolarHBondContact O-N 2.87Å; G2572-T2574 VanDerWaalsContact C-N 3.33Å; G2572-T2574 PolarHBondContact O-N 3.21Å
2573K50.9Low53Low195.25 Ų195.25114.4 Ų114.485%0.84971%0.705SS**  trans-64.686.4170.2-67.8174-177.7170.90109.1G2571 W2575G2571-K2573 PolarHBondContact O-N 2.95Å; K2573-W2575 VanDerWaalsContact O-CD1 3.26Å; K2573-W2575 PolarHBondContact O-N 3.15Å; K2573-W2575 VanDerWaalsContact O-N 3.14Å
2574T55.6Low55.6Low105.25 Ų105.25112.5 Ų112.565%0.64669%0.687SS**  trans-62.7116.7179.752.40000109.8G2572 N2576G2572-T2574 VanDerWaalsContact C-N 3.33Å; G2572-T2574 PolarHBondContact O-N 3.21Å; T2574-N2576 WeakPolarHBondContact CB-OD1 3.31Å; T2574-N2576 PolarHBondContact O-N 3.1Å; T2574-N2576 VanDerWaalsContact O-N 3.11Å
2575W55.3Low58.2Low217.75 Ų217.75109 Ų10983%0.82566%0.657SS**  trans-76.348.2179.3-79.572.5000111.1K2573 P2577K2573-W2575 VanDerWaalsContact O-CD1 3.26Å; K2573-W2575 PolarHBondContact O-N 3.15Å; K2573-W2575 VanDerWaalsContact O-N 3.14Å; W2575-P2577 VanDerWaalsContact O-CD 3.24Å; W2575-P2577 WeakPolarHBondContact O-CD 3.42Å
2576N68Low60.6Low88 Ų88107.8 Ų107.847%0.47165%0.645SS.*  trans-77.298.9-179.7-67.14000109.7T2574 L2578 V2579T2574-N2576 WeakPolarHBondContact CB-OD1 3.31Å; T2574-N2576 PolarHBondContact O-N 3.1Å; T2574-N2576 VanDerWaalsContact O-N 3.11Å; N2576-L2578 VanDerWaalsContact C-N 3.26Å; N2576-L2578 PolarHBondContact O-N 3.16Å; N2576-V2579 HydrophobicContact CB-CB 4.47Å; N2576-V2579 HydrophobicContact CB-CG2 3.98Å; N2576-V2579 PolarHBondContact O-N 3.06Å; N2576-V2579 VanDerWaalsContact O-N 3.14Å
2577P77.4Confident63Low94.5 Ų94.5108.9 Ų108.961%0.61463%0.63SS**Hα-helixtrans-62.9-32.7-173.426.6-35.7000111.6W2575 V2579 K2580 L2581W2575-P2577 VanDerWaalsContact O-CD 3.24Å; W2575-P2577 WeakPolarHBondContact O-CD 3.42Å; P2577-V2579 VanDerWaalsContact C-N 3.29Å; P2577-V2579 PolarHBondContact O-N 3.11Å; P2577-K2580 PolarHBondContact O-N 2.97Å; P2577-K2580 VanDerWaalsContact O-N 3.14Å; P2577-L2581 WeakPolarHBondContact O-CB 3.35Å; P2577-L2581 PolarHBondContact O-N 3.12Å
2578L78.4Confident65.3Low133.5 Ų133.5103.9 Ų103.970%0.69959%0.594SS**Hα-helixtrans-59.5-34.2178.6-61.1177.5000113.2N2576 L2581 K2582N2576-L2578 VanDerWaalsContact C-N 3.26Å; N2576-L2578 PolarHBondContact O-N 3.16Å; L2578-L2581 PolarHBondContact O-N 3.1Å; L2578-K2582 VanDerWaalsContact O-CB 3.31Å; L2578-K2582 WeakPolarHBondContact O-CB 3.36Å; L2578-K2582 PolarHBondContact O-N 3.07Å
2579V80.8Confident67.6Low83.5 Ų83.5101.7 Ų101.751%0.50656%0.564SS.*Hα-helixtrans-72.5-40.8178.2-179.60000110.6N2576 P2577 K2582 R2583N2576-V2579 HydrophobicContact CB-CB 4.47Å; N2576-V2579 HydrophobicContact CB-CG2 3.98Å; N2576-V2579 PolarHBondContact O-N 3.06Å; N2576-V2579 VanDerWaalsContact O-N 3.14Å; P2577-V2579 VanDerWaalsContact C-N 3.29Å; P2577-V2579 PolarHBondContact O-N 3.11Å; V2579-K2582 PolarHBondContact O-N 3.1Å; V2579-R2583 WeakPolarHBondContact O-CB 3.48Å; V2579-R2583 PolarHBondContact O-N 3.07Å; V2579-R2583 VanDerWaalsContact O-N 3.08Å
2580K82.6Confident69.9Low133 Ų133101 Ų10158%0.57854%0.542SS*.Hα-helixtrans-65.5-41.1173.5-66.4-177.6-179.3176.70111.1P2577 R2583 F2584P2577-K2580 PolarHBondContact O-N 2.97Å; P2577-K2580 VanDerWaalsContact O-N 3.14Å; K2580-R2583 PolarHBondContact O-N 3.3Å; K2580-F2584 WeakPolarHBondContact O-CB 3.27Å; K2580-F2584 PolarHBondContact O-N 3.11Å
2581L81.1Confident72.1Confident71.25 Ų71.25100.8 Ų100.837%0.37352%0.524SS..Hα-helixtrans-64.4-43.2176.5-171.466.9000111.8P2577 L2578 R2583 F2584 Y2585 F2671P2577-L2581 WeakPolarHBondContact O-CB 3.35Å; P2577-L2581 PolarHBondContact O-N 3.12Å; L2578-L2581 PolarHBondContact O-N 3.1Å; L2581-R2583 VanDerWaalsContact C-N 3.34Å; L2581-R2583 PolarHBondContact O-N 3.02Å; L2581-F2584 WeakPolarHBondContact O-CB 3.28Å; L2581-F2584 PolarHBondContact O-N 3.27Å; L2581-Y2585 WeakPolarHBondContact O-CB 3.37Å; L2581-Y2585 PolarHBondContact O-N 3.19Å; L2581-F2671 HydrophobicContact CD1-CE1 4.39Å; L2581-F2671 HydrophobicContact CD1-CZ 3.95Å; L2581-F2671 HydrophobicContact CG-CE1 4.43Å; L2581-F2671 HydrophobicContact CG-CZ 4.43Å
2582K83.7Confident74.1Confident146.5 Ų146.5105.3 Ų105.364%0.63752%0.519SS*.Hα-helixtrans-60.8-42.2173.7-174.7176.3-179.5178.60111.4L2578 V2579 Y2585 L2586L2578-K2582 VanDerWaalsContact O-CB 3.31Å; L2578-K2582 WeakPolarHBondContact O-CB 3.36Å; L2578-K2582 PolarHBondContact O-N 3.07Å; V2579-K2582 PolarHBondContact O-N 3.1Å; K2582-Y2585 PolarHBondContact O-N 3.29Å; K2582-L2586 HydrophobicContact CG-CD1 4.24Å; K2582-L2586 WeakPolarHBondContact O-CB 3.47Å; K2582-L2586 VanDerWaalsContact O-CG 3.29Å; K2582-L2586 WeakPolarHBondContact O-CG 3.38Å; K2582-L2586 PolarHBondContact O-N 3.24Å
2583R83.4Confident75.9Confident186.25 Ų186.25107.6 Ų107.670%0.70351%0.508SS*.Hα-helixtrans-64.8-40175.4-171.2180-67.9173.9-2.2112.2V2579 K2580 L2581 K2587V2579-R2583 WeakPolarHBondContact O-CB 3.48Å; V2579-R2583 PolarHBondContact O-N 3.07Å; V2579-R2583 VanDerWaalsContact O-N 3.08Å; K2580-R2583 PolarHBondContact O-N 3.3Å; L2581-R2583 VanDerWaalsContact C-N 3.34Å; L2581-R2583 PolarHBondContact O-N 3.02Å; R2583-K2587 WeakPolarHBondContact O-CB 3.36Å; R2583-K2587 PolarHBondContact O-N 3.01Å; R2583-K2587 VanDerWaalsContact O-N 3.13Å
2584F83.6Confident77.3Confident60 Ų6099 Ų9926%0.26347%0.471SS..Hα-helixtrans-64.3-47.6174.2179-96.8000111.6L2404 K2580 L2581 L2586 K2587 M2588L2404-F2584 HydrophobicContact CB-CE1 4.07Å; L2404-F2584 HydrophobicContact CB-CZ 4.11Å; K2580-F2584 WeakPolarHBondContact O-CB 3.27Å; K2580-F2584 PolarHBondContact O-N 3.11Å; L2581-F2584 WeakPolarHBondContact O-CB 3.28Å; L2581-F2584 PolarHBondContact O-N 3.27Å; F2584-L2586 VanDerWaalsContact C-N 3.34Å; F2584-L2586 PolarHBondContact O-N 2.97Å; F2584-K2587 PolarHBondContact O-N 3.13Å; F2584-M2588 HydrophobicContact CE1-SD 4.32Å; F2584-M2588 VanDerWaalsContact O-CB 3.3Å; F2584-M2588 WeakPolarHBondContact O-CB 3.38Å; F2584-M2588 PolarHBondContact O-N 3.09Å
2585Y85.6Confident78.5Confident42.75 Ų42.7599.1 Ų99.117%0.16846%0.462CS..Hα-helixtrans-58.5-44.6176.7175.9-92.8000111.9L2581 K2582 K2587 M2588 T2589 L2668 F2671L2581-Y2585 WeakPolarHBondContact O-CB 3.37Å; L2581-Y2585 PolarHBondContact O-N 3.19Å; K2582-Y2585 PolarHBondContact O-N 3.29Å; Y2585-K2587 PolarHBondContact O-N 3.4Å; Y2585-M2588 HydrophobicContact CD2-CE 3.62Å; Y2585-M2588 HydrophobicContact CE2-CE 3.96Å; Y2585-M2588 HydrophobicContact CG-CE 4.48Å; Y2585-M2588 CarbonylContact O-C 3.59Å; Y2585-M2588 WeakPolarHBondContact O-CA 3.28Å; Y2585-M2588 WeakPolarHBondContact O-CB 3.41Å; Y2585-M2588 PolarHBondContact O-N 3.06Å; Y2585-M2588 VanDerWaalsContact O-N 3.13Å; Y2585-T2589 HydrophobicContact CD1-CG2 4.38Å; Y2585-T2589 HydrophobicContact CD2-CG2 4.24Å; Y2585-T2589 HydrophobicContact CE1-CG2 3.9Å; Y2585-T2589 HydrophobicContact CE2-CG2 3.75Å; Y2585-T2589 HydrophobicContact CG-CG2 4.47Å; Y2585-T2589 VanDerWaalsContact CZ-CG2 3.48Å; Y2585-T2589 WeakPolarHBondContact O-CB 3.44Å; Y2585-T2589 WeakPolarHBondContact O-CG2 3.42Å; Y2585-T2589 PolarHBondContact O-N 3.15Å; Y2585-T2589 PolarHBondContact O-OG1 3.12Å; Y2585-L2668 HydrophobicContact CD2-CD1 4.4Å; Y2585-L2668 HydrophobicContact CE1-CD1 4Å; Y2585-L2668 HydrophobicContact CE2-CD1 3.87Å; Y2585-L2668 WeakPolarHBondContact OH-CA 3.44Å; Y2585-L2668 WeakPolarHBondContact OH-CB 3.43Å; Y2585-L2668 PolarHBondContact OH-N 3.06Å; Y2585-F2671 HydrophobicContact CD2-CB 4.41Å; Y2585-F2671 AromaticContact CD2-CD1 3.79Å; Y2585-F2671 HydrophobicContact CD2-CD1 3.79Å; Y2585-F2671 HydrophobicContact CD2-CD2 4.25Å; Y2585-F2671 AromaticContact CD2-CE1 3.86Å; Y2585-F2671 HydrophobicContact CD2-CE1 4.02Å; Y2585-F2671 HydrophobicContact CD2-CE2 4.39Å; Y2585-F2671 AromaticContact CD2-CG 3.9Å; Y2585-F2671 HydrophobicContact CD2-CG 3.9Å; Y2585-F2671 HydrophobicContact CD2-CZ 4.33Å; Y2585-F2671 HydrophobicContact CE2-CB 4.13Å; Y2585-F2671 HydrophobicContact CE2-CD1 4.23Å; Y2585-F2671 HydrophobicContact CE2-CG 4.13Å
2586L83.4Confident79.9Confident95.75 Ų95.7593.1 Ų93.150%0.50144%0.442SS..Hα-helixtrans-59.8-49.5176.2-73.2167.1000111.5K2582 F2584 M2588 T2589 D2590K2582-L2586 HydrophobicContact CG-CD1 4.24Å; K2582-L2586 WeakPolarHBondContact O-CB 3.47Å; K2582-L2586 VanDerWaalsContact O-CG 3.29Å; K2582-L2586 WeakPolarHBondContact O-CG 3.38Å; K2582-L2586 PolarHBondContact O-N 3.24Å; F2584-L2586 VanDerWaalsContact C-N 3.34Å; F2584-L2586 PolarHBondContact O-N 2.97Å; L2586-M2588 VanDerWaalsContact C-N 3.3Å; L2586-M2588 PolarHBondContact O-N 3.31Å; L2586-T2589 PolarHBondContact O-N 3.17Å; L2586-T2589 VanDerWaalsContact O-N 3.1Å; L2586-T2589 PolarHBondContact O-OG1 3.07Å; L2586-T2589 VanDerWaalsContact O-OG1 3.07Å; L2586-D2590 PolarHBondContact O-N 3.21Å; L2586-D2590 VanDerWaalsContact O-N 3.14Å
2587K81Confident80.8Confident130.5 Ų130.589.9 Ų89.957%0.56743%0.425SS*.Hα-helixtrans-62.4-33.3175.8-176173.4179.6176.90112.9R2583 F2584 Y2585 D2590R2583-K2587 WeakPolarHBondContact O-CB 3.36Å; R2583-K2587 PolarHBondContact O-N 3.01Å; R2583-K2587 VanDerWaalsContact O-N 3.13Å; F2584-K2587 PolarHBondContact O-N 3.13Å; Y2585-K2587 PolarHBondContact O-N 3.4Å; K2587-D2590 WeakPolarHBondContact CA-OD2 3.47Å; K2587-D2590 WeakPolarHBondContact O-CB 3.43Å
2588M82.1Confident81.3Confident4 Ų487.5 Ų87.52%0.0241%0.408CS..Hα-helixtrans-70.6-36.8175.7-179.8-172162.500111.9L2404 V2406 F2584 Y2585 L2586 D2590 N2594 F2671 I2721 R2722L2404-M2588 HydrophobicContact CB-CE 3.95Å; L2404-M2588 HydrophobicContact CB-SD 4.03Å; L2404-M2588 HydrophobicContact CD2-CE 3.51Å; L2404-M2588 HydrophobicContact CD2-SD 4.21Å; L2404-M2588 HydrophobicContact CG-CE 4.32Å; L2404-M2588 WeakPolarHBondContact O-CE 3.31Å; L2404-M2588 VanDerWaalsContact O-CG 3.28Å; L2404-M2588 WeakPolarHBondContact O-CG 3.38Å; V2406-M2588 HydrophobicContact CG2-CG 4.09Å; F2584-M2588 HydrophobicContact CE1-SD 4.32Å; F2584-M2588 VanDerWaalsContact O-CB 3.3Å; F2584-M2588 WeakPolarHBondContact O-CB 3.38Å; F2584-M2588 PolarHBondContact O-N 3.09Å; Y2585-M2588 HydrophobicContact CD2-CE 3.62Å; Y2585-M2588 HydrophobicContact CE2-CE 3.96Å; Y2585-M2588 HydrophobicContact CG-CE 4.48Å; Y2585-M2588 CarbonylContact O-C 3.59Å; Y2585-M2588 WeakPolarHBondContact O-CA 3.28Å; Y2585-M2588 WeakPolarHBondContact O-CB 3.41Å; Y2585-M2588 PolarHBondContact O-N 3.06Å; Y2585-M2588 VanDerWaalsContact O-N 3.13Å; L2586-M2588 VanDerWaalsContact C-N 3.3Å; L2586-M2588 PolarHBondContact O-N 3.31Å; M2588-D2590 VanDerWaalsContact C-N 3.26Å; M2588-D2590 PolarHBondContact O-N 3.15Å; M2588-N2594 PolarHBondContact O-ND2 3.01Å; M2588-N2594 PolarHBondContact O-OD1 2.8Å; M2588-F2671 HydrophobicContact CE-CD2 3.67Å; M2588-F2671 HydrophobicContact CE-CE2 3.94Å; M2588-F2671 HydrophobicContact CE-CG 4.36Å; M2588-F2671 HydrophobicContact SD-CD2 4.25Å; M2588-F2671 HydrophobicContact SD-CE2 4.17Å; M2588-I2721 HydrophobicContact CE-CB 3.88Å; M2588-I2721 HydrophobicContact CE-CG2 3.43Å; M2588-I2721 VanDerWaalsContact CE-CG2 3.46Å; M2588-I2721 HydrophobicContact SD-CG2 4.13Å; M2588-R2722 HydrophobicContact CE-CB 4.32Å; M2588-R2722 HydrophobicContact CE-CG 3.49Å; M2588-R2722 VanDerWaalsContact CE-CG 3.48Å
2589T79Confident81.9Confident41.25 Ų41.2581.7 Ų81.725%0.25338%0.378SS..Hα-helixtrans-86.2-2.9-177.250.80000114.3Y2585 L2586 P2591 N2594 V2667Y2585-T2589 HydrophobicContact CD1-CG2 4.38Å; Y2585-T2589 HydrophobicContact CD2-CG2 4.24Å; Y2585-T2589 HydrophobicContact CE1-CG2 3.9Å; Y2585-T2589 HydrophobicContact CE2-CG2 3.75Å; Y2585-T2589 HydrophobicContact CG-CG2 4.47Å; Y2585-T2589 VanDerWaalsContact CZ-CG2 3.48Å; Y2585-T2589 WeakPolarHBondContact O-CB 3.44Å; Y2585-T2589 WeakPolarHBondContact O-CG2 3.42Å; Y2585-T2589 PolarHBondContact O-N 3.15Å; Y2585-T2589 PolarHBondContact O-OG1 3.12Å; L2586-T2589 PolarHBondContact O-N 3.17Å; L2586-T2589 VanDerWaalsContact O-N 3.1Å; L2586-T2589 PolarHBondContact O-OG1 3.07Å; L2586-T2589 VanDerWaalsContact O-OG1 3.07Å; T2589-P2591 WeakPolarHBondContact O-CD 3.39Å; T2589-N2594 VanDerWaalsContact C-ND2 3.34Å; T2589-N2594 WeakPolarHBondContact CA-ND2 3.39Å; T2589-N2594 PolarHBondContact O-ND2 3.05Å; T2589-N2594 VanDerWaalsContact O-ND2 3.13Å; T2589-V2667 HydrophobicContact CG2-CG1 4.41Å
2590D77.8Confident82.4Confident60 Ų6078.5 Ų78.532%0.32136%0.356SS..  trans-50.8115.2179.7-99.8-38.4000112.4L2586 K2587 M2588 R2592 Y2593 N2594L2586-D2590 PolarHBondContact O-N 3.21Å; L2586-D2590 VanDerWaalsContact O-N 3.14Å; K2587-D2590 WeakPolarHBondContact CA-OD2 3.47Å; K2587-D2590 WeakPolarHBondContact O-CB 3.43Å; M2588-D2590 VanDerWaalsContact C-N 3.26Å; M2588-D2590 PolarHBondContact O-N 3.15Å; D2590-R2592 PolarHBondContact O-N 3.15Å; D2590-R2592 VanDerWaalsContact O-N 3.11Å; D2590-R2592 IonicContact OD1-CZ 3.49Å; D2590-R2592 VanDerWaalsContact OD1-CZ 3.3Å; D2590-R2592 IonicContact OD1-NE 3.48Å; D2590-R2592 PolarHBondContact OD1-NE 2.91Å; D2590-R2592 IonicContact OD1-NH2 2.69Å; D2590-R2592 PolarHBondContact OD1-NH2 3.44Å; D2590-R2592 IonicContact OD2-NH2 3.42Å; D2590-R2592 PolarHBondContact OD2-NH2 2.98Å; D2590-Y2593 HydrophobicContact CB-CD2 4.34Å; D2590-Y2593 PolarHBondContact O-N 3.14Å; D2590-Y2593 VanDerWaalsContact O-N 3.16Å; D2590-N2594 PolarHBondContact O-ND2 3.28Å; D2590-N2594 VanDerWaalsContact O-ND2 3.12Å
2591P76.9Confident82.8Confident91.5 Ų91.574.1 Ų74.159%0.59434%0.339SS*.THydrogen-bonded Turntrans-66.5-16.4-170.424.8-33.8000113.8Y1641 T2589 Y2593 N2594Y1641-P2591 HydrophobicContact CD2-CG 4.02Å; Y1641-P2591 HydrophobicContact CE1-CG 4.45Å; Y1641-P2591 HydrophobicContact CE2-CB 4.03Å; Y1641-P2591 HydrophobicContact CE2-CG 3.25Å; T2589-P2591 WeakPolarHBondContact O-CD 3.39Å; P2591-Y2593 VanDerWaalsContact C-N 3.29Å; P2591-Y2593 PolarHBondContact O-N 3.18Å; P2591-N2594 PolarHBondContact O-N 2.69Å
2592R72.7Confident83.3Confident162.75 Ų162.7575.6 Ų75.661%0.61434%0.34SS*.THydrogen-bonded Turntrans-63.1-25.6179.4-62.9-176.7-152.9-165.62.2113.8N1880 Y2556 D2590N1880-R2592 PolarHBondContact ND2-O 3.19Å; Y2556-R2592 VanDerWaalsContact CE1-NH2 3.27Å; D2590-R2592 PolarHBondContact O-N 3.15Å; D2590-R2592 VanDerWaalsContact O-N 3.11Å; D2590-R2592 IonicContact OD1-CZ 3.49Å; D2590-R2592 VanDerWaalsContact OD1-CZ 3.3Å; D2590-R2592 IonicContact OD1-NE 3.48Å; D2590-R2592 PolarHBondContact OD1-NE 2.91Å; D2590-R2592 IonicContact OD1-NH2 2.69Å; D2590-R2592 PolarHBondContact OD1-NH2 3.44Å; D2590-R2592 IonicContact OD2-NH2 3.42Å; D2590-R2592 PolarHBondContact OD2-NH2 2.98Å
2593Y73.9Confident83.8Confident117.25 Ų117.2568.7 Ų68.746%0.4631%0.31SS..THydrogen-bonded Turntrans-113.7-8.7-176.4-54.9-66000113.4V2406 P2407 D2590 P2591 K2595V2406-Y2593 VanDerWaalsContact CG1-CB 3.44Å; V2406-Y2593 HydrophobicContact CG1-CD2 4.48Å; V2406-Y2593 HydrophobicContact CG1-CG 4.32Å; P2407-Y2593 HydrophobicContact CG-CD1 3.88Å; P2407-Y2593 HydrophobicContact CG-CE1 4.27Å; P2407-Y2593 HydrophobicContact CG-CG 4.22Å; D2590-Y2593 HydrophobicContact CB-CD2 4.34Å; D2590-Y2593 PolarHBondContact O-N 3.14Å; D2590-Y2593 VanDerWaalsContact O-N 3.16Å; P2591-Y2593 VanDerWaalsContact C-N 3.29Å; P2591-Y2593 PolarHBondContact O-N 3.18Å; Y2593-K2595 PolarHBondContact O-N 3.31Å
2594N80.4Confident84.2Confident14.25 Ų14.2563 Ų638%0.07629%0.291CS..  trans-99.186-165.9-70-13.4000112.6V2406 M2588 T2589 D2590 P2591 K2596 R2722V2406-N2594 VanDerWaalsContact CG1-OD1 3.26Å; V2406-N2594 WeakPolarHBondContact CG1-OD1 3.3Å; M2588-N2594 PolarHBondContact O-ND2 3.01Å; M2588-N2594 PolarHBondContact O-OD1 2.8Å; T2589-N2594 VanDerWaalsContact C-ND2 3.34Å; T2589-N2594 WeakPolarHBondContact CA-ND2 3.39Å; T2589-N2594 PolarHBondContact O-ND2 3.05Å; T2589-N2594 VanDerWaalsContact O-ND2 3.13Å; D2590-N2594 PolarHBondContact O-ND2 3.28Å; D2590-N2594 VanDerWaalsContact O-ND2 3.12Å; P2591-N2594 PolarHBondContact O-N 2.69Å; N2594-K2596 WeakPolarHBondContact O-CD 3.47Å; N2594-K2596 WeakPolarHBondContact O-CE 3.38Å; N2594-K2596 PolarHBondContact O-N 3.22Å; N2594-K2596 PolarHBondContact O-NZ 3.16Å; N2594-R2722 WeakPolarHBondContact CB-O 3.48Å; N2594-R2722 PolarHBondContact ND2-O 3.41Å; N2594-R2722 PolarHBondContact OD1-O 3.22Å; N2594-R2722 VanDerWaalsContact OD1-O 3.05Å
2595K81.4Confident84.6Confident107.75 Ų107.7564.4 Ų64.447%0.46830%0.3SS..  trans-64.1119.8171.1-172.4173.8-172.1164.50110.2Y2593 V2597 S2723Y2593-K2595 PolarHBondContact O-N 3.31Å; K2595-V2597 HydrophobicContact CG-CG2 4.4Å; K2595-V2597 WeakPolarHBondContact O-CG2 3.34Å; K2595-V2597 PolarHBondContact O-N 3.41Å; K2595-S2723 VanDerWaalsContact O-CA 3.3Å; K2595-S2723 WeakPolarHBondContact O-CA 3.33Å; K2595-S2723 WeakPolarHBondContact O-CB 3.37Å
2596K85.6Confident85Confident90.75 Ų90.7563 Ų6340%0.39530%0.297SS..  trans-69.8127.2-177.6-54-61.5156-1520110.9N2594 S2723 P2726N2594-K2596 WeakPolarHBondContact O-CD 3.47Å; N2594-K2596 WeakPolarHBondContact O-CE 3.38Å; N2594-K2596 PolarHBondContact O-N 3.22Å; N2594-K2596 PolarHBondContact O-NZ 3.16Å; K2596-S2723 WeakPolarHBondContact CD-O 3.36Å; K2596-S2723 WeakPolarHBondContact CE-O 3.22Å; K2596-S2723 PolarHBondContact NZ-O 3.17Å; K2596-S2723 VanDerWaalsContact NZ-O 3.09Å; K2596-P2726 HydrophobicContact CB-CB 4.37Å
2597V85.4Confident85.6Confident20 Ų2058.6 Ų58.612%0.12127%0.274CS..  trans-140.6145.2-179.8-172.50000108.2K2595 V2599 Y2719 Q2720 S2723K2595-V2597 HydrophobicContact CG-CG2 4.4Å; K2595-V2597 WeakPolarHBondContact O-CG2 3.34Å; K2595-V2597 PolarHBondContact O-N 3.41Å; V2597-V2599 HydrophobicContact CB-CG2 4.25Å; V2597-V2599 HydrophobicContact CG1-CG2 3.73Å; V2597-Y2719 HydrophobicContact CB-CE1 4.35Å; V2597-Y2719 HydrophobicContact CG1-CE1 4.24Å; V2597-Q2720 PolarHBondContact O-NE2 3.32Å; V2597-Q2720 PolarHBondContact O-OE1 3.17Å; V2597-S2723 VanDerWaalsContact CG2-OG 3.27Å; V2597-S2723 WeakPolarHBondContact CG2-OG 3.44Å
2598D88.4Confident86.1Confident46 Ų4655.7 Ų55.725%0.24626%0.261CS..  trans-109.1122167.2178.122.4000110.2Y2600 I2601 F2662 P2726D2598-Y2600 VanDerWaalsContact OD1-CB 3.27Å; D2598-Y2600 WeakPolarHBondContact OD1-CB 3.39Å; D2598-Y2600 PolarHBondContact OD1-N 3.24Å; D2598-I2601 WeakPolarHBondContact OD2-CD1 3.32Å; D2598-F2662 WeakPolarHBondContact OD1-CE2 3.38Å; D2598-P2726 HydrophobicContact CB-CG 3.99Å
2599V90.6Very high86.6Confident10.5 Ų10.558.9 Ų58.96%0.06428%0.277CS..  trans-122.31.9-177.3-167.80000110.5V2597 I2601 Y2602 M2603 L2716 Y2719 Q2720V2597-V2599 HydrophobicContact CB-CG2 4.25Å; V2597-V2599 HydrophobicContact CG1-CG2 3.73Å; V2599-I2601 VanDerWaalsContact C-N 3.26Å; V2599-I2601 PolarHBondContact O-N 3.15Å; V2599-I2601 VanDerWaalsContact O-N 3.1Å; V2599-Y2602 HydrophobicContact CG1-CD2 4.12Å; V2599-Y2602 PolarHBondContact O-N 3.24Å; V2599-Y2602 VanDerWaalsContact O-N 3.11Å; V2599-M2603 PolarHBondContact O-N 3.1Å; V2599-L2716 HydrophobicContact CG1-CB 4.16Å; V2599-L2716 HydrophobicContact CG1-CD2 3.74Å; V2599-L2716 HydrophobicContact CG1-CG 4.44Å; V2599-Y2719 HydrophobicContact CG1-CD1 4.46Å; V2599-Y2719 HydrophobicContact CG2-CD1 3.73Å; V2599-Y2719 HydrophobicContact CG2-CE1 3.83Å; V2599-Q2720 VanDerWaalsContact CG2-OE1 3.3Å
2600Y92.1Very high87.3Confident16.25 Ų16.2556.9 Ų56.96%0.06427%0.266CS..Hα-helixtrans-56.3-35.5-170.8179.4-95.2000113.7D2598 Y2602 M2603 F2604 D2658 R2659 F2662D2598-Y2600 VanDerWaalsContact OD1-CB 3.27Å; D2598-Y2600 WeakPolarHBondContact OD1-CB 3.39Å; D2598-Y2600 PolarHBondContact OD1-N 3.24Å; Y2600-Y2602 VanDerWaalsContact C-N 3.32Å; Y2600-Y2602 PolarHBondContact O-N 3.07Å; Y2600-M2603 WeakPolarHBondContact O-CB 3.38Å; Y2600-M2603 PolarHBondContact O-N 2.98Å; Y2600-M2603 VanDerWaalsContact O-N 3.15Å; Y2600-F2604 HydrophobicContact CE1-CB 4.16Å; Y2600-F2604 PolarHBondContact O-N 3.29Å; Y2600-D2658 HydrophobicContact CE2-CB 4.49Å; Y2600-R2659 VanDerWaalsContact CE1-NH1 3.27Å; Y2600-R2659 WeakPolarHBondContact OH-CA 3.32Å; Y2600-R2659 WeakPolarHBondContact OH-CB 3.44Å; Y2600-R2659 VanDerWaalsContact OH-CD 3.27Å; Y2600-R2659 WeakPolarHBondContact OH-CD 3.41Å; Y2600-F2662 HydrophobicContact CD1-CD1 4.17Å; Y2600-F2662 HydrophobicContact CD1-CD2 4.47Å; Y2600-F2662 HydrophobicContact CD1-CE1 4.18Å; Y2600-F2662 HydrophobicContact CD1-CE2 4.47Å; Y2600-F2662 HydrophobicContact CD1-CG 4.3Å; Y2600-F2662 HydrophobicContact CD1-CZ 4.33Å; Y2600-F2662 HydrophobicContact CD2-CB 3.63Å; Y2600-F2662 HydrophobicContact CD2-CD1 4.15Å; Y2600-F2662 AromaticContact CD2-CD2 3.58Å; Y2600-F2662 HydrophobicContact CD2-CD2 3.58Å; Y2600-F2662 HydrophobicContact CD2-CE2 4.26Å; Y2600-F2662 AromaticContact CD2-CG 3.51Å; Y2600-F2662 HydrophobicContact CD2-CG 3.51Å; Y2600-F2662 VanDerWaalsContact CD2-CG 3.43Å; Y2600-F2662 HydrophobicContact CE1-CD1 4.37Å; Y2600-F2662 HydrophobicContact CE2-CB 3.7Å; Y2600-F2662 HydrophobicContact CE2-CD1 4.34Å; Y2600-F2662 HydrophobicContact CE2-CD2 4.45Å; Y2600-F2662 AromaticContact CE2-CG 3.91Å; Y2600-F2662 HydrophobicContact CE2-CG 3.95Å; Y2600-F2662 HydrophobicContact CG-CB 4.35Å; Y2600-F2662 AromaticContact CG-CD1 3.93Å; Y2600-F2662 HydrophobicContact CG-CD1 4.04Å; Y2600-F2662 AromaticContact CG-CD2 3.59Å; Y2600-F2662 HydrophobicContact CG-CD2 3.59Å; Y2600-F2662 HydrophobicContact CG-CE1 4.21Å; Y2600-F2662 AromaticContact CG-CE2 3.79Å; Y2600-F2662 HydrophobicContact CG-CE2 3.79Å; Y2600-F2662 AromaticContact CG-CG 3.72Å; Y2600-F2662 HydrophobicContact CG-CG 3.72Å; Y2600-F2662 AromaticContact CG-CZ 4Å; Y2600-F2662 HydrophobicContact CG-CZ 4.08Å
2601I90.3Very high87.9Confident40.3333 Ų40.333357 Ų5721%0.20726%0.263CS..Hα-helixtrans-59.5-42.7178.9-58.4130.4000111.5D2598 V2599 M2603 F2604 L2605 F2733D2598-I2601 WeakPolarHBondContact OD2-CD1 3.32Å; V2599-I2601 VanDerWaalsContact C-N 3.26Å; V2599-I2601 PolarHBondContact O-N 3.15Å; V2599-I2601 VanDerWaalsContact O-N 3.1Å; I2601-M2603 VanDerWaalsContact C-N 3.33Å; I2601-F2604 PolarHBondContact O-N 2.95Å; I2601-L2605 VanDerWaalsContact O-CB 3.27Å; I2601-L2605 WeakPolarHBondContact O-CB 3.43Å; I2601-L2605 PolarHBondContact O-N 3.33Å; I2601-F2733 HydrophobicContact CB-CD2 4.07Å; I2601-F2733 HydrophobicContact CB-CE2 4.18Å; I2601-F2733 HydrophobicContact CB-CG 4.39Å; I2601-F2733 HydrophobicContact CD1-CB 3.51Å; I2601-F2733 HydrophobicContact CD1-CD1 4.37Å; I2601-F2733 HydrophobicContact CD1-CD2 4.08Å; I2601-F2733 HydrophobicContact CD1-CE2 4.25Å; I2601-F2733 HydrophobicContact CD1-CG 3.9Å; I2601-F2733 HydrophobicContact CG1-CB 3.69Å; I2601-F2733 HydrophobicContact CG1-CD1 4.17Å; I2601-F2733 HydrophobicContact CG1-CD2 3.62Å; I2601-F2733 HydrophobicContact CG1-CE2 4.23Å; I2601-F2733 HydrophobicContact CG1-CG 3.81Å; I2601-F2733 HydrophobicContact CG2-CB 4.43Å; I2601-F2733 HydrophobicContact CG2-CD1 3.91Å; I2601-F2733 HydrophobicContact CG2-CD2 3.95Å; I2601-F2733 HydrophobicContact CG2-CE1 3.95Å; I2601-F2733 HydrophobicContact CG2-CE2 3.98Å; I2601-F2733 HydrophobicContact CG2-CG 3.9Å; I2601-F2733 HydrophobicContact CG2-CZ 3.97Å
2602Y92Very high88.6Confident104 Ų10457.9 Ų57.941%0.40826%0.255SS..Hα-helixtrans-69.6-35.6178.4-61.8-75.1000111.1N1913 V2599 Y2600 L2605 C2606N1913-Y2602 PolarHBondContact OD1-OH 3.41Å; V2599-Y2602 HydrophobicContact CG1-CD2 4.12Å; V2599-Y2602 PolarHBondContact O-N 3.24Å; V2599-Y2602 VanDerWaalsContact O-N 3.11Å; Y2600-Y2602 VanDerWaalsContact C-N 3.32Å; Y2600-Y2602 PolarHBondContact O-N 3.07Å; Y2602-L2605 PolarHBondContact O-N 3.06Å; Y2602-C2606 PolarHBondContact O-N 3.08Å; Y2602-C2606 PolarHBondContact O-SG 3.06Å
2603M93.6Very high89.5Confident1.33333 Ų1.3333351.4 Ų51.41%0.00723%0.232CC..Hα-helixtrans-65.1-48.3175.3-63.1171.555.200111.6V2599 Y2600 I2601 L2605 C2606 E2607 D2658 K2670 Y2713 L2716 Q2720V2599-M2603 PolarHBondContact O-N 3.1Å; Y2600-M2603 WeakPolarHBondContact O-CB 3.38Å; Y2600-M2603 PolarHBondContact O-N 2.98Å; Y2600-M2603 VanDerWaalsContact O-N 3.15Å; I2601-M2603 VanDerWaalsContact C-N 3.33Å; M2603-L2605 VanDerWaalsContact C-N 3.31Å; M2603-L2605 PolarHBondContact O-N 3.15Å; M2603-C2606 WeakPolarHBondContact O-CB 3.41Å; M2603-C2606 PolarHBondContact O-N 3.42Å; M2603-E2607 WeakPolarHBondContact O-CG 3.43Å; M2603-E2607 PolarHBondContact O-N 2.93Å; M2603-E2607 VanDerWaalsContact O-N 3.08Å; M2603-D2658 WeakPolarHBondContact CE-OD2 3.18Å; M2603-K2670 VanDerWaalsContact CE-NZ 3.26Å; M2603-Y2713 HydrophobicContact CB-CD2 3.99Å; M2603-Y2713 HydrophobicContact CB-CE2 4.04Å; M2603-Y2713 HydrophobicContact CE-CD2 4.44Å; M2603-Y2713 HydrophobicContact CE-CE2 3.87Å; M2603-Y2713 HydrophobicContact CG-CD2 4.42Å; M2603-L2716 HydrophobicContact CG-CB 3.69Å; M2603-L2716 HydrophobicContact CG-CD1 4.44Å; M2603-L2716 HydrophobicContact SD-CB 4.44Å; M2603-Q2720 HydrophobicContact SD-CB 3.97Å; M2603-Q2720 HydrophobicContact SD-CG 4.31Å
2604F92.7Very high90.2Very high66 Ų6646 Ų4629%0.28921%0.211SC..Hα-helixtrans-59.3-41.4174.7175.4-98.2000111.9Y2600 I2601 C2606 E2607 F2608 I2655 L2755Y2600-F2604 HydrophobicContact CE1-CB 4.16Å; Y2600-F2604 PolarHBondContact O-N 3.29Å; I2601-F2604 PolarHBondContact O-N 2.95Å; F2604-C2606 VanDerWaalsContact C-N 3.35Å; F2604-C2606 PolarHBondContact O-N 3.16Å; F2604-E2607 PolarHBondContact O-N 3.23Å; F2604-F2608 WeakPolarHBondContact O-CB 3.39Å; F2604-F2608 PolarHBondContact O-N 3.09Å; F2604-I2655 HydrophobicContact CD2-CG2 4.4Å; F2604-I2655 HydrophobicContact CE2-CG2 4.18Å; F2604-L2755 HydrophobicContact CZ-CD1 4.39Å
2605L91.8Very high90.4Very high89 Ų8948.2 Ų48.247%0.46622%0.222SC..Hα-helixtrans-63-40.6176.5-178.3147.4000112I2601 Y2602 M2603 F2608 I2609I2601-L2605 VanDerWaalsContact O-CB 3.27Å; I2601-L2605 WeakPolarHBondContact O-CB 3.43Å; I2601-L2605 PolarHBondContact O-N 3.33Å; Y2602-L2605 PolarHBondContact O-N 3.06Å; M2603-L2605 VanDerWaalsContact C-N 3.31Å; M2603-L2605 PolarHBondContact O-N 3.15Å; L2605-F2608 PolarHBondContact O-N 3.13Å; L2605-I2609 HydrophobicContact CD2-CD1 3.54Å; L2605-I2609 VanDerWaalsContact CD2-CD1 3.44Å; L2605-I2609 HydrophobicContact CD2-CG1 4.38Å; L2605-I2609 HydrophobicContact CG-CD1 4.22Å; L2605-I2609 VanDerWaalsContact O-CG1 3.3Å; L2605-I2609 WeakPolarHBondContact O-CG1 3.21Å; L2605-I2609 PolarHBondContact O-N 3.31Å
2606C94.8Very high90.6Very high13.6667 Ų13.666750.3 Ų50.39%0.09223%0.231CC..Hα-helixtrans-61.7-44.4172.9-68.60000112Y2602 M2603 F2604 F2608 I2609 A2610 I2709 Y2713Y2602-C2606 PolarHBondContact O-N 3.08Å; Y2602-C2606 PolarHBondContact O-SG 3.06Å; M2603-C2606 WeakPolarHBondContact O-CB 3.41Å; M2603-C2606 PolarHBondContact O-N 3.42Å; F2604-C2606 VanDerWaalsContact C-N 3.35Å; F2604-C2606 PolarHBondContact O-N 3.16Å; C2606-F2608 VanDerWaalsContact C-N 3.34Å; C2606-F2608 PolarHBondContact O-N 2.91Å; C2606-I2609 PolarHBondContact O-N 3.38Å; C2606-A2610 WeakPolarHBondContact O-CB 3.38Å; C2606-A2610 PolarHBondContact O-N 3.26Å; C2606-I2709 HydrophobicContact CB-CG2 3.98Å; C2606-I2709 VanDerWaalsContact O-CG2 3.28Å; C2606-I2709 WeakPolarHBondContact O-CG2 3.41Å; C2606-Y2713 HydrophobicContact CB-CD2 4.46Å
2607E94.4Very high90.3Very high3.33333 Ų3.3333346.4 Ų46.42%0.01622%0.217CC..Hα-helixtrans-67-35.2178.3-66.4-88.2109.600112.8M2603 F2604 A2610 F2611 Q2651 I2655 H2677 K2710 Y2713M2603-E2607 WeakPolarHBondContact O-CG 3.43Å; M2603-E2607 PolarHBondContact O-N 2.93Å; M2603-E2607 VanDerWaalsContact O-N 3.08Å; F2604-E2607 PolarHBondContact O-N 3.23Å; E2607-A2610 PolarHBondContact O-N 3.15Å; E2607-F2611 PolarHBondContact O-N 3.21Å; E2607-F2611 VanDerWaalsContact O-N 3.07Å; E2607-Q2651 VanDerWaalsContact CD-NE2 3.31Å; E2607-Q2651 PolarHBondContact O-NE2 3.12Å; E2607-Q2651 VanDerWaalsContact O-NE2 3.14Å; E2607-Q2651 PolarHBondContact OE1-NE2 3.15Å; E2607-Q2651 PolarHBondContact OE2-NE2 3.06Å; E2607-Q2651 PolarHBondContact OE2-OE1 3.17Å; E2607-I2655 HydrophobicContact CB-CD1 4.24Å; E2607-I2655 HydrophobicContact CB-CG1 3.83Å; E2607-I2655 HydrophobicContact CG-CG1 4.42Å; E2607-I2655 WeakPolarHBondContact OE2-CA 3.48Å; E2607-I2655 WeakPolarHBondContact OE2-CG1 3.48Å; E2607-H2677 IonicContact OE1-CE1 3.16Å; E2607-H2677 IonicContact OE2-CE1 2.64Å; E2607-K2710 VanDerWaalsContact CD-NZ 3.3Å; E2607-K2710 WeakPolarHBondContact OE1-CD 3.46Å; E2607-K2710 WeakPolarHBondContact OE1-CE 3.34Å; E2607-K2710 IonicContact OE1-NZ 3.68Å; E2607-K2710 PolarHBondContact OE1-NZ 3.15Å; E2607-K2710 IonicContact OE2-NZ 3.71Å; E2607-K2710 PolarHBondContact OE2-NZ 3.21Å; E2607-Y2713 HydrophobicContact CG-CD2 3.64Å; E2607-Y2713 HydrophobicContact CG-CE2 3.69Å; E2607-Y2713 HydrophobicContact CG-CG 4.35Å; E2607-Y2713 WeakPolarHBondContact OE1-CD2 3.35Å
2608F91.4Very high90.1Very high69.6667 Ų69.666747.2 Ų47.231%0.30622%0.218SC..Hα-helixtrans-67.9-42.9174.8-175.7-103.2000111.9F2604 L2605 C2606 A2610 F2611 W2612 L2755F2604-F2608 WeakPolarHBondContact O-CB 3.39Å; F2604-F2608 PolarHBondContact O-N 3.09Å; L2605-F2608 PolarHBondContact O-N 3.13Å; C2606-F2608 VanDerWaalsContact C-N 3.34Å; C2606-F2608 PolarHBondContact O-N 2.91Å; F2608-A2610 VanDerWaalsContact C-N 3.35Å; F2608-F2611 WeakPolarHBondContact O-CB 3.35Å; F2608-F2611 PolarHBondContact O-N 3.38Å; F2608-W2612 AromaticContact CD1-CD1 3.95Å; F2608-W2612 AromaticContact CE1-CD1 3.66Å; F2608-W2612 AromaticContact CE1-NE1 3.37Å; F2608-W2612 VanDerWaalsContact CE1-NE1 3.35Å; F2608-W2612 AromaticContact CE2-NE1 3.78Å; F2608-W2612 AromaticContact CZ-CD1 3.88Å; F2608-W2612 AromaticContact CZ-NE1 3.19Å; F2608-W2612 VanDerWaalsContact O-CD1 3.31Å; F2608-W2612 PolarHBondContact O-N 3.26Å; F2608-L2755 HydrophobicContact CE2-CD1 4.13Å
2609I93.3Very high89.6Confident70.3333 Ų70.333348 Ų4836%0.36123%0.225SC..Hα-helixtrans-66.3-39.8174.6-64.5172.5000110.5L2605 C2606 F2611 W2612 I2613 I2709L2605-I2609 HydrophobicContact CD2-CD1 3.54Å; L2605-I2609 VanDerWaalsContact CD2-CD1 3.44Å; L2605-I2609 HydrophobicContact CD2-CG1 4.38Å; L2605-I2609 HydrophobicContact CG-CD1 4.22Å; L2605-I2609 VanDerWaalsContact O-CG1 3.3Å; L2605-I2609 WeakPolarHBondContact O-CG1 3.21Å; L2605-I2609 PolarHBondContact O-N 3.31Å; C2606-I2609 PolarHBondContact O-N 3.38Å; I2609-F2611 VanDerWaalsContact C-N 3.3Å; I2609-F2611 PolarHBondContact O-N 3.15Å; I2609-W2612 PolarHBondContact O-N 3.15Å; I2609-I2613 HydrophobicContact CG2-CD1 3.79Å; I2609-I2613 HydrophobicContact CG2-CG1 4.33Å; I2609-I2613 WeakPolarHBondContact O-CG1 3.34Å; I2609-I2613 PolarHBondContact O-N 3.19Å; I2609-I2709 HydrophobicContact CG2-CD1 3.73Å
2610A93.2Very high89.1Confident0.333333 Ų0.33333349.1 Ų49.10%0.00323%0.233CC..Hα-helixtrans-59.4-40.3175.200000112.1C2606 E2607 F2608 W2612 I2613 M2614 I2709C2606-A2610 WeakPolarHBondContact O-CB 3.38Å; C2606-A2610 PolarHBondContact O-N 3.26Å; E2607-A2610 PolarHBondContact O-N 3.15Å; F2608-A2610 VanDerWaalsContact C-N 3.35Å; A2610-W2612 PolarHBondContact O-N 3.27Å; A2610-I2613 PolarHBondContact O-N 3.3Å; A2610-M2614 WeakPolarHBondContact O-CE 3.3Å; A2610-M2614 PolarHBondContact O-N 2.89Å; A2610-M2614 VanDerWaalsContact O-N 3.08Å; A2610-I2709 HydrophobicContact CB-CG2 4.33Å
2611F91.4Very high88.6Confident61.3333 Ų61.333348.3 Ų48.327%0.26923%0.23SC..Hα-helixtrans-59.4-45.7174-177.7-101.1000112.5E2607 F2608 I2609 M2614 I2615 L2648 Q2651E2607-F2611 PolarHBondContact O-N 3.21Å; E2607-F2611 VanDerWaalsContact O-N 3.07Å; F2608-F2611 WeakPolarHBondContact O-CB 3.35Å; F2608-F2611 PolarHBondContact O-N 3.38Å; I2609-F2611 VanDerWaalsContact C-N 3.3Å; I2609-F2611 PolarHBondContact O-N 3.15Å; F2611-M2614 PolarHBondContact O-N 2.87Å; F2611-I2615 HydrophobicContact CD1-CD1 3.86Å; F2611-I2615 HydrophobicContact CE1-CD1 3.42Å; F2611-I2615 VanDerWaalsContact CE1-CD1 3.45Å; F2611-I2615 HydrophobicContact CE1-CG1 4.49Å; F2611-I2615 HydrophobicContact CZ-CD1 3.83Å; F2611-I2615 PolarHBondContact O-N 3.17Å; F2611-L2648 HydrophobicContact CD2-CD2 4.03Å; F2611-L2648 HydrophobicContact CE2-CD2 3.96Å; F2611-Q2651 HydrophobicContact CD2-CG 4.4Å
2612W90.5Very high87.8Confident110.333 Ų110.33346.7 Ų46.742%0.41822%0.222SC..Hα-helixtrans-65.9-37.1175.2-80.5103.5000113.7F2608 I2609 A2610 M2614 I2615 F2616F2608-W2612 AromaticContact CD1-CD1 3.95Å; F2608-W2612 AromaticContact CE1-CD1 3.66Å; F2608-W2612 AromaticContact CE1-NE1 3.37Å; F2608-W2612 VanDerWaalsContact CE1-NE1 3.35Å; F2608-W2612 AromaticContact CE2-NE1 3.78Å; F2608-W2612 AromaticContact CZ-CD1 3.88Å; F2608-W2612 AromaticContact CZ-NE1 3.19Å; F2608-W2612 VanDerWaalsContact O-CD1 3.31Å; F2608-W2612 PolarHBondContact O-N 3.26Å; I2609-W2612 PolarHBondContact O-N 3.15Å; A2610-W2612 PolarHBondContact O-N 3.27Å; W2612-M2614 VanDerWaalsContact C-N 3.3Å; W2612-M2614 PolarHBondContact O-N 3.13Å; W2612-I2615 PolarHBondContact O-N 3.03Å; W2612-F2616 HydrophobicContact CB-CD2 4.45Å; W2612-F2616 HydrophobicContact CB-CE2 4.43Å; W2612-F2616 HydrophobicContact CD2-CE2 4.24Å; W2612-F2616 AromaticContact CE3-CD2 3.96Å; W2612-F2616 HydrophobicContact CE3-CD2 4.1Å; W2612-F2616 AromaticContact CE3-CE2 3.33Å; W2612-F2616 HydrophobicContact CE3-CE2 3.33Å; W2612-F2616 AromaticContact CE3-CZ 3.64Å; W2612-F2616 HydrophobicContact CE3-CZ 3.64Å; W2612-F2616 AromaticContact CZ3-CE2 3.82Å; W2612-F2616 HydrophobicContact CZ3-CE2 3.88Å; W2612-F2616 AromaticContact CZ3-CZ 3.67Å; W2612-F2616 HydrophobicContact CZ3-CZ 3.67Å; W2612-F2616 VanDerWaalsContact O-CD2 3.3Å; W2612-F2616 WeakPolarHBondContact O-CD2 3.36Å; W2612-F2616 PolarHBondContact O-N 3.04Å
2613I91.9Very high86.8Confident27.3333 Ų27.333344.3 Ų44.314%0.1422%0.22CC..Hα-helixtrans-64.7-35.2176.6-71.6167.6000111.4I2609 A2610 G2617 A2702 L2705 L2706 I2709I2609-I2613 HydrophobicContact CG2-CD1 3.79Å; I2609-I2613 HydrophobicContact CG2-CG1 4.33Å; I2609-I2613 WeakPolarHBondContact O-CG1 3.34Å; I2609-I2613 PolarHBondContact O-N 3.19Å; A2610-I2613 PolarHBondContact O-N 3.3Å; I2613-G2617 VanDerWaalsContact O-CA 3.3Å; I2613-G2617 WeakPolarHBondContact O-CA 3.43Å; I2613-G2617 PolarHBondContact O-N 3.23Å; I2613-A2702 HydrophobicContact CG2-CB 4.36Å; I2613-A2702 WeakPolarHBondContact CG2-O 3.24Å; I2613-L2705 HydrophobicContact CD1-CB 4.1Å; I2613-L2705 HydrophobicContact CG2-CB 4.49Å; I2613-L2706 HydrophobicContact CG2-CB 4.11Å; I2613-I2709 HydrophobicContact CD1-CD1 3.27Å
2614M88.2Confident85.6Confident3 Ų349.4 Ų49.42%0.01526%0.256CS..Hα-helixtrans-63.8-49171.3-74.7-179.5-78.600111.4A2610 F2611 W2612 F2616 G2617 Y2618 F2621 F2644 M2647 L2648 Q2651 L2706A2610-M2614 WeakPolarHBondContact O-CE 3.3Å; A2610-M2614 PolarHBondContact O-N 2.89Å; A2610-M2614 VanDerWaalsContact O-N 3.08Å; F2611-M2614 PolarHBondContact O-N 2.87Å; W2612-M2614 VanDerWaalsContact C-N 3.3Å; W2612-M2614 PolarHBondContact O-N 3.13Å; M2614-F2616 PolarHBondContact O-N 3.36Å; M2614-G2617 CarbonylContact O-C 3.54Å; M2614-G2617 PolarHBondContact O-N 3.25Å; M2614-G2617 VanDerWaalsContact O-N 3.16Å; M2614-Y2618 PolarHBondContact O-N 3.15Å; M2614-F2621 HydrophobicContact CG-CD2 4.46Å; M2614-F2621 HydrophobicContact CG-CE2 4.21Å; M2614-F2621 HydrophobicContact CG-CZ 4.49Å; M2614-F2644 HydrophobicContact CB-CE2 4.38Å; M2614-F2644 VanDerWaalsContact O-CE2 3.28Å; M2614-F2644 WeakPolarHBondContact O-CE2 3.41Å; M2614-M2647 HydrophobicContact CG-CE 4.12Å; M2614-M2647 HydrophobicContact CG-SD 4.3Å; M2614-M2647 HydrophobicContact SD-CB 4.42Å; M2614-M2647 HydrophobicContact SD-CE 3.69Å; M2614-M2647 VanDerWaalsContact SD-CE 3.55Å; M2614-M2647 HydrophobicContact SD-CG 3.6Å; M2614-M2647 VanDerWaalsContact SD-CG 3.57Å; M2614-M2647 HydrophobicContact SD-SD 3.82Å; M2614-M2647 VanDerWaalsContact SD-SD 3.68Å; M2614-L2648 HydrophobicContact CB-CD2 3.65Å; M2614-L2648 HydrophobicContact CE-CD2 4.31Å; M2614-L2648 HydrophobicContact SD-CD2 4.25Å; M2614-Q2651 HydrophobicContact CE-CB 3.59Å; M2614-Q2651 VanDerWaalsContact CE-CB 3.47Å; M2614-Q2651 HydrophobicContact CE-CG 3.46Å; M2614-Q2651 HydrophobicContact SD-CB 4.42Å; M2614-L2706 HydrophobicContact CE-CD1 4.4Å; M2614-L2706 HydrophobicContact CG-CD1 3.39Å; M2614-L2706 VanDerWaalsContact CG-CD1 3.42Å; M2614-L2706 HydrophobicContact SD-CD1 3.99Å
2615I85.8Confident84.2Confident60.6667 Ų60.666749.8 Ų49.831%0.31126%0.264SS..Hα-helixtrans-58.9-48.5-178.4-68.6171.5000111.9F2611 W2612 Y2618 L2648F2611-I2615 HydrophobicContact CD1-CD1 3.86Å; F2611-I2615 HydrophobicContact CE1-CD1 3.42Å; F2611-I2615 VanDerWaalsContact CE1-CD1 3.45Å; F2611-I2615 HydrophobicContact CE1-CG1 4.49Å; F2611-I2615 HydrophobicContact CZ-CD1 3.83Å; F2611-I2615 PolarHBondContact O-N 3.17Å; W2612-I2615 PolarHBondContact O-N 3.03Å; I2615-Y2618 WeakPolarHBondContact O-CD1 3.44Å; I2615-L2648 HydrophobicContact CG1-CD2 4.2Å
2616F84.7Confident82.7Confident151.333 Ų151.33349.4 Ų49.466%0.66428%0.281SS*.Hα-helixtrans-75.4-28.1178.5-66.7-56.3000113.1W2612 M2614 Y2618W2612-F2616 HydrophobicContact CB-CD2 4.45Å; W2612-F2616 HydrophobicContact CB-CE2 4.43Å; W2612-F2616 HydrophobicContact CD2-CE2 4.24Å; W2612-F2616 AromaticContact CE3-CD2 3.96Å; W2612-F2616 HydrophobicContact CE3-CD2 4.1Å; W2612-F2616 AromaticContact CE3-CE2 3.33Å; W2612-F2616 HydrophobicContact CE3-CE2 3.33Å; W2612-F2616 AromaticContact CE3-CZ 3.64Å; W2612-F2616 HydrophobicContact CE3-CZ 3.64Å; W2612-F2616 AromaticContact CZ3-CE2 3.82Å; W2612-F2616 HydrophobicContact CZ3-CE2 3.88Å; W2612-F2616 AromaticContact CZ3-CZ 3.67Å; W2612-F2616 HydrophobicContact CZ3-CZ 3.67Å; W2612-F2616 VanDerWaalsContact O-CD2 3.3Å; W2612-F2616 WeakPolarHBondContact O-CD2 3.36Å; W2612-F2616 PolarHBondContact O-N 3.04Å; M2614-F2616 PolarHBondContact O-N 3.36Å; F2616-Y2618 VanDerWaalsContact C-N 3.3Å; F2616-Y2618 PolarHBondContact O-N 3.25Å
2617G80.4Confident80.9Confident9 Ų952.1 Ų52.19%0.09329%0.293CS..THydrogen-bonded Turntrans-87.416.2-17900000115.4I2613 M2614 V2619 S2620 F2621I2613-G2617 VanDerWaalsContact O-CA 3.3Å; I2613-G2617 WeakPolarHBondContact O-CA 3.43Å; I2613-G2617 PolarHBondContact O-N 3.23Å; M2614-G2617 CarbonylContact O-C 3.54Å; M2614-G2617 PolarHBondContact O-N 3.25Å; M2614-G2617 VanDerWaalsContact O-N 3.16Å; G2617-V2619 PolarHBondContact O-N 2.88Å; G2617-V2619 VanDerWaalsContact O-N 3.1Å; G2617-S2620 WeakPolarHBondContact O-CB 3.41Å; G2617-S2620 PolarHBondContact O-N 3.4Å; G2617-F2621 WeakPolarHBondContact O-CD2 3.36Å
2618Y80.4Confident79Confident37.3333 Ų37.333353.4 Ų53.415%0.14631%0.307CS..G310 helixtrans-50.5-36.1-171.574.6-80.5000114.1M2614 I2615 F2616 S2620 F2621 G2622 D2629 N2630 A2631 F2634M2614-Y2618 PolarHBondContact O-N 3.15Å; I2615-Y2618 WeakPolarHBondContact O-CD1 3.44Å; F2616-Y2618 VanDerWaalsContact C-N 3.3Å; F2616-Y2618 PolarHBondContact O-N 3.25Å; Y2618-S2620 PolarHBondContact O-N 3.27Å; Y2618-F2621 PolarHBondContact O-N 2.96Å; Y2618-F2621 VanDerWaalsContact O-N 3.07Å; Y2618-G2622 PolarHBondContact O-N 3.14Å; Y2618-D2629 PolarHBondContact OH-O 3.09Å; Y2618-N2630 WeakPolarHBondContact OH-CA 3.35Å; Y2618-N2630 PolarHBondContact OH-N 3.43Å; Y2618-N2630 PolarHBondContact OH-O 2.85Å; Y2618-A2631 HydrophobicContact CD1-CB 3.96Å; Y2618-A2631 HydrophobicContact CD2-CB 4.16Å; Y2618-A2631 HydrophobicContact CE1-CB 3.48Å; Y2618-A2631 HydrophobicContact CE2-CB 3.95Å; Y2618-A2631 HydrophobicContact CG-CB 4.37Å; Y2618-A2631 VanDerWaalsContact CZ-CB 3.49Å; Y2618-A2631 VanDerWaalsContact CZ-N 3.25Å; Y2618-A2631 WeakPolarHBondContact OH-CA 3.4Å; Y2618-A2631 PolarHBondContact OH-N 3.08Å; Y2618-F2634 HydrophobicContact CD2-CD2 4.34Å; Y2618-F2634 AromaticContact CE2-CD2 3.61Å; Y2618-F2634 HydrophobicContact CE2-CD2 3.61Å; Y2618-F2634 AromaticContact CE2-CE2 3.81Å; Y2618-F2634 HydrophobicContact CE2-CE2 3.81Å; Y2618-F2634 HydrophobicContact CE2-CG 4.25Å; Y2618-F2634 HydrophobicContact CE2-CZ 4.49Å
2619V77.7Confident77.3Confident62.3333 Ų62.333356 Ų5638%0.37832%0.324SS..G310 helixtrans-55.7-38.1177-173.10000111.5G2617 F2621G2617-V2619 PolarHBondContact O-N 2.88Å; G2617-V2619 VanDerWaalsContact O-N 3.1Å; V2619-F2621 VanDerWaalsContact C-N 3.34Å; V2619-F2621 PolarHBondContact O-N 3.38Å
2620S80.9Confident75.7Confident33.3333 Ų33.333357.5 Ų57.523%0.23333%0.333CS..G310 helixtrans-83.2-7.4-177.5-52.20000114.3G2617 Y2618G2617-S2620 WeakPolarHBondContact O-CB 3.41Å; G2617-S2620 PolarHBondContact O-N 3.4Å; Y2618-S2620 PolarHBondContact O-N 3.27Å
2621F80.4Confident74.2Confident1.33333 Ų1.3333359.1 Ų59.11%0.00635%0.346CS..THydrogen-bonded Turntrans-113.8-2.2-175.9-60.3-62.1000114M2614 G2617 Y2618 V2619 F2644 M2647 L2689 A2702 P2703 L2706M2614-F2621 HydrophobicContact CG-CD2 4.46Å; M2614-F2621 HydrophobicContact CG-CE2 4.21Å; M2614-F2621 HydrophobicContact CG-CZ 4.49Å; G2617-F2621 WeakPolarHBondContact O-CD2 3.36Å; Y2618-F2621 PolarHBondContact O-N 2.96Å; Y2618-F2621 VanDerWaalsContact O-N 3.07Å; V2619-F2621 VanDerWaalsContact C-N 3.34Å; V2619-F2621 PolarHBondContact O-N 3.38Å; F2621-F2644 HydrophobicContact CB-CD2 4.18Å; F2621-M2647 HydrophobicContact CB-SD 4.46Å; F2621-M2647 HydrophobicContact CD1-CE 4.08Å; F2621-M2647 HydrophobicContact CD1-SD 3.73Å; F2621-M2647 HydrophobicContact CD2-SD 4.49Å; F2621-M2647 HydrophobicContact CE1-CE 3.85Å; F2621-M2647 HydrophobicContact CE1-SD 4.12Å; F2621-M2647 HydrophobicContact CG-SD 4.1Å; F2621-M2647 HydrophobicContact CZ-CE 4.31Å; F2621-L2689 HydrophobicContact CD1-CD1 3.98Å; F2621-L2689 HydrophobicContact CD1-CD2 4.04Å; F2621-L2689 HydrophobicContact CE1-CD2 4.14Å; F2621-A2702 HydrophobicContact CE2-CB 4.18Å; F2621-A2702 HydrophobicContact CZ-CB 4.37Å; F2621-P2703 HydrophobicContact CE1-CB 4.3Å; F2621-P2703 HydrophobicContact CE1-CG 4Å; F2621-P2703 HydrophobicContact CZ-CG 4.26Å; F2621-L2706 HydrophobicContact CE1-CD1 4.25Å; F2621-L2706 HydrophobicContact CE2-CD1 4.41Å; F2621-L2706 HydrophobicContact CZ-CB 4.46Å; F2621-L2706 HydrophobicContact CZ-CD1 3.87Å
2622G75.4Confident72.9Confident5 Ų564.3 Ų64.35%0.05237%0.369CS..SBendtrans-117.4164.5171.200000112.1Y2618Y2618-G2622 PolarHBondContact O-N 3.14Å
2623P70.7Confident71.6Confident55.3333 Ų55.333362 Ų6236%0.35936%0.363SS..  trans-66139.916529.9-33.2000109.8T2625P2623-T2625 WeakPolarHBondContact O-CG2 3.4Å; P2623-T2625 PolarHBondContact O-N 3.17Å; P2623-T2625 VanDerWaalsContact O-N 3.11Å
2624S67.2Low70.3Confident108.333 Ų108.33361.8 Ų61.876%0.75836%0.361SS*.  trans-66.7108.7173.817.20000109.9G2626S2624-G2626 PolarHBondContact O-N 3.26Å
2625T64.3Low69.1Low74 Ų7467 Ų6745%0.45439%0.388SS..  trans-84.95.7-174.362.60000114.5P2623 M2627 F2634P2623-T2625 WeakPolarHBondContact O-CG2 3.4Å; P2623-T2625 PolarHBondContact O-N 3.17Å; P2623-T2625 VanDerWaalsContact O-N 3.11Å; T2625-M2627 PolarHBondContact O-N 3.14Å; T2625-M2627 VanDerWaalsContact O-N 3.07Å; T2625-M2627 WeakPolarHBondContact OG1-CB 3.46Å; T2625-F2634 HydrophobicContact CG2-CE1 3.98Å; T2625-F2634 HydrophobicContact CG2-CZ 4.44Å; T2625-F2634 VanDerWaalsContact OG1-CE1 3.26Å; T2625-F2634 WeakPolarHBondContact OG1-CE1 3.42Å; T2625-F2634 WeakPolarHBondContact OG1-CZ 3.46Å
2626G60.4Low68.1Low81 Ų8169.9 Ų69.984%0.83540%0.399SS*.SBendtrans73.7-15-174.100000114.6S2624S2624-G2626 PolarHBondContact O-N 3.26Å
2627M56.2Low67.4Low70 Ų7064.4 Ų64.435%0.34538%0.379SS..SBendtrans-74.8139.6163.4-69.6175.5125.400108.5T2625 E2633T2625-M2627 PolarHBondContact O-N 3.14Å; T2625-M2627 VanDerWaalsContact O-N 3.07Å; T2625-M2627 WeakPolarHBondContact OG1-CB 3.46Å; M2627-E2633 WeakPolarHBondContact CA-OE1 3.44Å; M2627-E2633 WeakPolarHBondContact CB-OE1 3.17Å; M2627-E2633 WeakPolarHBondContact CG-OE1 3.08Å
2628G54.5Low66.8Low29.3333 Ų29.333370.9 Ų70.930%0.30241%0.412SS..  trans-62.2165.5-159.700000115.9N2630 E2633 F2634G2628-N2630 PolarHBondContact O-N 3.08Å; G2628-E2633 VanDerWaalsContact N-CD 3.29Å; G2628-E2633 PolarHBondContact N-OE1 2.95Å; G2628-E2633 PolarHBondContact N-OE2 2.95Å; G2628-F2634 WeakPolarHBondContact O-CE2 3.26Å
2629D55.4Low66.3Low125 Ų12577.6 Ų77.667%0.66844%0.437SS*.SBendtrans-63.314.6-175.8-72.2-30.2000115.5Y2618Y2618-D2629 PolarHBondContact OH-O 3.09Å
2630N60.1Low66.2Low102.333 Ų102.33378.1 Ų78.155%0.54744%0.439SS..  trans-102.3120.9-176.6-65.8-49.9000111.5Y2618 G2628 F2632 E2633Y2618-N2630 WeakPolarHBondContact OH-CA 3.35Å; Y2618-N2630 PolarHBondContact OH-N 3.43Å; Y2618-N2630 PolarHBondContact OH-O 2.85Å; G2628-N2630 PolarHBondContact O-N 3.08Å; N2630-F2632 PolarHBondContact O-N 3.13Å; N2630-F2632 VanDerWaalsContact O-N 3.08Å; N2630-E2633 HydrophobicContact CB-CB 4.35Å; N2630-E2633 WeakPolarHBondContact O-CB 3.41Å; N2630-E2633 PolarHBondContact O-N 3.35Å
2631A61.5Low65.9Low33.6667 Ų33.666777.6 Ų77.628%0.27844%0.436SS..Hα-helixtrans-55.7-32.7178.200000112Y2618 E2633 F2634 L2635Y2618-A2631 HydrophobicContact CD1-CB 3.96Å; Y2618-A2631 HydrophobicContact CD2-CB 4.16Å; Y2618-A2631 HydrophobicContact CE1-CB 3.48Å; Y2618-A2631 HydrophobicContact CE2-CB 3.95Å; Y2618-A2631 HydrophobicContact CG-CB 4.37Å; Y2618-A2631 VanDerWaalsContact CZ-CB 3.49Å; Y2618-A2631 VanDerWaalsContact CZ-N 3.25Å; Y2618-A2631 WeakPolarHBondContact OH-CA 3.4Å; Y2618-A2631 PolarHBondContact OH-N 3.08Å; A2631-E2633 PolarHBondContact O-N 3.32Å; A2631-F2634 PolarHBondContact O-N 2.93Å; A2631-L2635 WeakPolarHBondContact O-CB 3.28Å; A2631-L2635 WeakPolarHBondContact O-CG 3.33Å; A2631-L2635 PolarHBondContact O-N 3.05Å
2632F64.1Low66Low169.333 Ų169.33384.1 Ų84.174%0.74347%0.469SS*.Hα-helixtrans-60.7-27.2175.9-68.3-75.9000113.5N2630 K2636N2630-F2632 PolarHBondContact O-N 3.13Å; N2630-F2632 VanDerWaalsContact O-N 3.08Å; F2632-K2636 WeakPolarHBondContact O-CB 3.21Å; F2632-K2636 PolarHBondContact O-N 3.16Å
2633E62.9Low66.4Low62 Ų6285.2 Ų85.229%0.2948%0.476SS..Hα-helixtrans-78-37.6178.2-159.1176145.700111.8M2627 G2628 N2630 A2631 K2636 S2637M2627-E2633 WeakPolarHBondContact CA-OE1 3.44Å; M2627-E2633 WeakPolarHBondContact CB-OE1 3.17Å; M2627-E2633 WeakPolarHBondContact CG-OE1 3.08Å; G2628-E2633 VanDerWaalsContact N-CD 3.29Å; G2628-E2633 PolarHBondContact N-OE1 2.95Å; G2628-E2633 PolarHBondContact N-OE2 2.95Å; N2630-E2633 HydrophobicContact CB-CB 4.35Å; N2630-E2633 WeakPolarHBondContact O-CB 3.41Å; N2630-E2633 PolarHBondContact O-N 3.35Å; A2631-E2633 PolarHBondContact O-N 3.32Å; E2633-K2636 PolarHBondContact O-N 3.28Å; E2633-S2637 WeakPolarHBondContact O-CB 3.32Å; E2633-S2637 PolarHBondContact O-N 3.16Å; E2633-S2637 PolarHBondContact O-OG 3.35Å
2634F64.4Low67Low25 Ų2583.7 Ų83.711%0.1146%0.464CS..Hα-helixtrans-67.1-39170.7-70.2-84.7000112.3Y2618 T2625 G2628 A2631 K2636 S2637 N2638 R2639Y2618-F2634 HydrophobicContact CD2-CD2 4.34Å; Y2618-F2634 AromaticContact CE2-CD2 3.61Å; Y2618-F2634 HydrophobicContact CE2-CD2 3.61Å; Y2618-F2634 AromaticContact CE2-CE2 3.81Å; Y2618-F2634 HydrophobicContact CE2-CE2 3.81Å; Y2618-F2634 HydrophobicContact CE2-CG 4.25Å; Y2618-F2634 HydrophobicContact CE2-CZ 4.49Å; T2625-F2634 HydrophobicContact CG2-CE1 3.98Å; T2625-F2634 HydrophobicContact CG2-CZ 4.44Å; T2625-F2634 VanDerWaalsContact OG1-CE1 3.26Å; T2625-F2634 WeakPolarHBondContact OG1-CE1 3.42Å; T2625-F2634 WeakPolarHBondContact OG1-CZ 3.46Å; G2628-F2634 WeakPolarHBondContact O-CE2 3.26Å; A2631-F2634 PolarHBondContact O-N 2.93Å; F2634-K2636 VanDerWaalsContact C-N 3.33Å; F2634-S2637 WeakPolarHBondContact CA-OG 3.43Å; F2634-S2637 PolarHBondContact O-N 3.46Å; F2634-S2637 PolarHBondContact O-OG 3.07Å; F2634-N2638 PolarHBondContact O-N 3.05Å; F2634-N2638 VanDerWaalsContact O-N 3.1Å; F2634-R2639 WeakPolarHBondContact CD1-O 3.33Å; F2634-R2639 PolarHBondContact O-N 3.19Å
2635L64.5Low68Low111 Ų11182.4 Ų82.458%0.58145%0.447SS*.Hα-helixtrans-64.2-43170.5-79.6158.4000111.6A2631 S2637 N2638A2631-L2635 WeakPolarHBondContact O-CB 3.28Å; A2631-L2635 WeakPolarHBondContact O-CG 3.33Å; A2631-L2635 PolarHBondContact O-N 3.05Å; L2635-S2637 VanDerWaalsContact C-N 3.32Å; L2635-S2637 PolarHBondContact O-N 3.29Å; L2635-N2638 PolarHBondContact O-N 3.12Å; L2635-N2638 PolarHBondContact O-OD1 3.3Å
2636K64.7Low69.1Low122.667 Ų122.66781.2 Ų81.253%0.53344%0.442SS..Hα-helixtrans-65.8-33.6177.7-179.1-177.8177.7-1700112.7F2632 E2633 F2634 N2638 L3119F2632-K2636 WeakPolarHBondContact O-CB 3.21Å; F2632-K2636 PolarHBondContact O-N 3.16Å; E2633-K2636 PolarHBondContact O-N 3.28Å; F2634-K2636 VanDerWaalsContact C-N 3.33Å; K2636-N2638 VanDerWaalsContact C-N 3.34Å; K2636-L3119 HydrophobicContact CD-CD1 4.24Å; K2636-L3119 HydrophobicContact CD-CG 4.42Å; K2636-L3119 HydrophobicContact CG-CD1 4.33Å
2637S68.5Low70.4Confident34.6667 Ų34.666778.1 Ų78.124%0.24241%0.406CS..THydrogen-bonded Turntrans-89-3.4178.358.70000114.1E2633 F2634 L2635 R2639E2633-S2637 WeakPolarHBondContact O-CB 3.32Å; E2633-S2637 PolarHBondContact O-N 3.16Å; E2633-S2637 PolarHBondContact O-OG 3.35Å; F2634-S2637 WeakPolarHBondContact CA-OG 3.43Å; F2634-S2637 PolarHBondContact O-N 3.46Å; F2634-S2637 PolarHBondContact O-OG 3.07Å; L2635-S2637 VanDerWaalsContact C-N 3.32Å; L2635-S2637 PolarHBondContact O-N 3.29Å; S2637-R2639 PolarHBondContact O-N 2.95Å; S2637-R2639 VanDerWaalsContact O-N 3.13Å
2638N69.5Low72.1Confident146.667 Ų146.66776.3 Ų76.378%0.78440%0.398SS*.THydrogen-bonded Turntrans52.229.9-174.8-69.5-46.5000114F2634 L2635 K2636F2634-N2638 PolarHBondContact O-N 3.05Å; F2634-N2638 VanDerWaalsContact O-N 3.1Å; L2635-N2638 PolarHBondContact O-N 3.12Å; L2635-N2638 PolarHBondContact O-OD1 3.3Å; K2636-N2638 VanDerWaalsContact C-N 3.34Å
2639R70.1Confident73.8Confident178 Ų17879.7 Ų79.767%0.67241%0.408SS*.  trans-114.882.3-178.1-75.2179.5178-178.1-0.2110.7F2634 S2637F2634-R2639 WeakPolarHBondContact CD1-O 3.33Å; F2634-R2639 PolarHBondContact O-N 3.19Å; S2637-R2639 PolarHBondContact O-N 2.95Å; S2637-R2639 VanDerWaalsContact O-N 3.13Å
2640V73.6Confident75.6Confident72 Ų7276 Ų7644%0.43639%0.39SS..  trans-85.4129.4175.3-173.30000109.9L2642 F2644 I2645V2640-L2642 PolarHBondContact O-N 3.33Å; V2640-F2644 HydrophobicContact CG1-CD1 3.84Å; V2640-F2644 HydrophobicContact CG1-CE1 4.34Å; V2640-I2645 HydrophobicContact CB-CD1 3.82Å; V2640-I2645 HydrophobicContact CB-CG1 4.39Å; V2640-I2645 HydrophobicContact CG1-CD1 3.6Å; V2640-I2645 VanDerWaalsContact CG1-CD1 3.47Å; V2640-I2645 HydrophobicContact CG1-CG1 3.6Å
2641P76.4Confident77.2Confident23.6667 Ų23.666771.5 Ų71.515%0.15437%0.366CS..  trans-59.9127.4177.5-25.735000113P2643 F2644 I2645P2641-P2643 VanDerWaalsContact C-CD 3.47Å; P2641-F2644 HydrophobicContact CB-CB 4.27Å; P2641-F2644 WeakPolarHBondContact O-CB 3.43Å; P2641-F2644 PolarHBondContact O-N 2.92Å; P2641-F2644 VanDerWaalsContact O-N 3.16Å; P2641-I2645 PolarHBondContact O-N 3.08Å
2642L82.5Confident78.6Confident136.333 Ų136.33374.3 Ų74.371%0.71437%0.372SS*.Hα-helixtrans-55.4-40.6177.3-177.263.8000114.3V2640 F2644 I2645 S2646V2640-L2642 PolarHBondContact O-N 3.33Å; L2642-F2644 VanDerWaalsContact C-N 3.29Å; L2642-F2644 PolarHBondContact O-N 3.22Å; L2642-I2645 PolarHBondContact O-N 3.05Å; L2642-S2646 WeakPolarHBondContact O-CB 3.32Å; L2642-S2646 PolarHBondContact O-N 3.31Å
2643P82.2Confident80Confident29 Ų2970.2 Ų70.219%0.18836%0.357CS..Hα-helixtrans-60.6-38.1178-22.433.4000112.8P2641 S2646 M2647 I2692P2641-P2643 VanDerWaalsContact C-CD 3.47Å; P2643-S2646 PolarHBondContact O-N 3.1Å; P2643-M2647 WeakPolarHBondContact O-CB 3.29Å; P2643-M2647 PolarHBondContact O-N 3.2Å; P2643-I2692 HydrophobicContact CB-CD1 4.25Å; P2643-I2692 HydrophobicContact CB-CG2 4.12Å; P2643-I2692 HydrophobicContact CG-CD1 4.25Å; P2643-I2692 HydrophobicContact CG-CG2 3.56Å; P2643-I2692 VanDerWaalsContact CG-CG2 3.46Å
2644F84.5Confident81.5Confident24.6667 Ų24.666768.3 Ų68.311%0.10835%0.348CS..Hα-helixtrans-67.4-45.6179.2170.5-114.5000112M2614 F2621 V2640 P2641 L2642 S2646 M2647 L2648M2614-F2644 HydrophobicContact CB-CE2 4.38Å; M2614-F2644 VanDerWaalsContact O-CE2 3.28Å; M2614-F2644 WeakPolarHBondContact O-CE2 3.41Å; F2621-F2644 HydrophobicContact CB-CD2 4.18Å; V2640-F2644 HydrophobicContact CG1-CD1 3.84Å; V2640-F2644 HydrophobicContact CG1-CE1 4.34Å; P2641-F2644 HydrophobicContact CB-CB 4.27Å; P2641-F2644 WeakPolarHBondContact O-CB 3.43Å; P2641-F2644 PolarHBondContact O-N 2.92Å; P2641-F2644 VanDerWaalsContact O-N 3.16Å; L2642-F2644 VanDerWaalsContact C-N 3.29Å; L2642-F2644 PolarHBondContact O-N 3.22Å; F2644-S2646 VanDerWaalsContact C-N 3.35Å; F2644-S2646 PolarHBondContact O-N 3.28Å; F2644-M2647 PolarHBondContact O-N 3.03Å; F2644-L2648 HydrophobicContact CD1-CD1 4.49Å; F2644-L2648 HydrophobicContact CD2-CD1 4.43Å; F2644-L2648 HydrophobicContact CD2-CG 4.45Å; F2644-L2648 HydrophobicContact CE1-CD1 3.89Å; F2644-L2648 HydrophobicContact CE2-CD1 3.89Å; F2644-L2648 HydrophobicContact CE2-CD2 4.44Å; F2644-L2648 HydrophobicContact CE2-CG 4.11Å; F2644-L2648 HydrophobicContact CZ-CD1 3.55Å; F2644-L2648 VanDerWaalsContact CZ-CD1 3.47Å; F2644-L2648 HydrophobicContact CZ-CG 4.29Å; F2644-L2648 PolarHBondContact O-N 3.22Å; F2644-L2648 VanDerWaalsContact O-N 3.1Å
2645I87.8Confident82.9Confident80 Ų8068.3 Ų68.341%0.4135%0.349SS..Hα-helixtrans-61.4-45.4174.7-66.5168.4000110.8V2640 P2641 L2642 M2647 L2648 L2649V2640-I2645 HydrophobicContact CB-CD1 3.82Å; V2640-I2645 HydrophobicContact CB-CG1 4.39Å; V2640-I2645 HydrophobicContact CG1-CD1 3.6Å; V2640-I2645 VanDerWaalsContact CG1-CD1 3.47Å; V2640-I2645 HydrophobicContact CG1-CG1 3.6Å; P2641-I2645 PolarHBondContact O-N 3.08Å; L2642-I2645 PolarHBondContact O-N 3.05Å; I2645-M2647 VanDerWaalsContact C-N 3.3Å; I2645-M2647 PolarHBondContact O-N 3.06Å; I2645-L2648 PolarHBondContact O-N 3.28Å; I2645-L2649 WeakPolarHBondContact O-CB 3.31Å; I2645-L2649 PolarHBondContact O-N 3.25Å
2646S87.3Confident84.3Confident48.3333 Ų48.333365.5 Ų65.534%0.33833%0.334SS..Hα-helixtrans-57.9-43.9178.1-172.60000111.5L2642 P2643 F2644 L2649 V2650L2642-S2646 WeakPolarHBondContact O-CB 3.32Å; L2642-S2646 PolarHBondContact O-N 3.31Å; P2643-S2646 PolarHBondContact O-N 3.1Å; F2644-S2646 VanDerWaalsContact C-N 3.35Å; F2644-S2646 PolarHBondContact O-N 3.28Å; S2646-L2649 PolarHBondContact O-N 3.05Å; S2646-V2650 WeakPolarHBondContact O-CB 3.39Å; S2646-V2650 VanDerWaalsContact O-CG2 3.29Å; S2646-V2650 WeakPolarHBondContact O-CG2 3.31Å; S2646-V2650 PolarHBondContact O-N 3.12Å
2647M88.2Confident85.7Confident16.6667 Ų16.666762.1 Ų62.18%0.08232%0.324CS..Hα-helixtrans-63.7-43.2178.9-164.8-177.9178.200112.6M2614 F2621 P2643 F2644 I2645 V2650 Q2651 W2684 L2685 L2706M2614-M2647 HydrophobicContact CG-CE 4.12Å; M2614-M2647 HydrophobicContact CG-SD 4.3Å; M2614-M2647 HydrophobicContact SD-CB 4.42Å; M2614-M2647 HydrophobicContact SD-CE 3.69Å; M2614-M2647 VanDerWaalsContact SD-CE 3.55Å; M2614-M2647 HydrophobicContact SD-CG 3.6Å; M2614-M2647 VanDerWaalsContact SD-CG 3.57Å; M2614-M2647 HydrophobicContact SD-SD 3.82Å; M2614-M2647 VanDerWaalsContact SD-SD 3.68Å; F2621-M2647 HydrophobicContact CB-SD 4.46Å; F2621-M2647 HydrophobicContact CD1-CE 4.08Å; F2621-M2647 HydrophobicContact CD1-SD 3.73Å; F2621-M2647 HydrophobicContact CD2-SD 4.49Å; F2621-M2647 HydrophobicContact CE1-CE 3.85Å; F2621-M2647 HydrophobicContact CE1-SD 4.12Å; F2621-M2647 HydrophobicContact CG-SD 4.1Å; F2621-M2647 HydrophobicContact CZ-CE 4.31Å; P2643-M2647 WeakPolarHBondContact O-CB 3.29Å; P2643-M2647 PolarHBondContact O-N 3.2Å; F2644-M2647 PolarHBondContact O-N 3.03Å; I2645-M2647 VanDerWaalsContact C-N 3.3Å; I2645-M2647 PolarHBondContact O-N 3.06Å; M2647-V2650 PolarHBondContact O-N 3.42Å; M2647-Q2651 WeakPolarHBondContact O-CB 3.33Å; M2647-Q2651 PolarHBondContact O-N 3.33Å; M2647-W2684 HydrophobicContact CB-CZ2 4.37Å; M2647-L2685 HydrophobicContact CE-CD1 4.18Å; M2647-L2685 HydrophobicContact CE-CD2 4.25Å; M2647-L2706 HydrophobicContact CE-CD1 3.59Å; M2647-L2706 VanDerWaalsContact CE-CD1 3.42Å; M2647-L2706 HydrophobicContact CE-CD2 4.11Å; M2647-L2706 HydrophobicContact CE-CG 4.44Å
2648L90.5Very high86.9Confident32.6667 Ų32.666760.6 Ų60.617%0.17131%0.313CS..Hα-helixtrans-64.3-41.9175.7-74177.6000112.6F2611 M2614 I2615 F2644 I2645 Q2651 F2652F2611-L2648 HydrophobicContact CD2-CD2 4.03Å; F2611-L2648 HydrophobicContact CE2-CD2 3.96Å; M2614-L2648 HydrophobicContact CB-CD2 3.65Å; M2614-L2648 HydrophobicContact CE-CD2 4.31Å; M2614-L2648 HydrophobicContact SD-CD2 4.25Å; I2615-L2648 HydrophobicContact CG1-CD2 4.2Å; F2644-L2648 HydrophobicContact CD1-CD1 4.49Å; F2644-L2648 HydrophobicContact CD2-CD1 4.43Å; F2644-L2648 HydrophobicContact CD2-CG 4.45Å; F2644-L2648 HydrophobicContact CE1-CD1 3.89Å; F2644-L2648 HydrophobicContact CE2-CD1 3.89Å; F2644-L2648 HydrophobicContact CE2-CD2 4.44Å; F2644-L2648 HydrophobicContact CE2-CG 4.11Å; F2644-L2648 HydrophobicContact CZ-CD1 3.55Å; F2644-L2648 VanDerWaalsContact CZ-CD1 3.47Å; F2644-L2648 HydrophobicContact CZ-CG 4.29Å; F2644-L2648 PolarHBondContact O-N 3.22Å; F2644-L2648 VanDerWaalsContact O-N 3.1Å; I2645-L2648 PolarHBondContact O-N 3.28Å; L2648-Q2651 PolarHBondContact O-N 3.21Å; L2648-F2652 PolarHBondContact O-N 3.17Å
2649L92.2Very high88Confident99 Ų9955 Ų5552%0.51828%0.28SS..Hα-helixtrans-64.8-46.1179.1-169.9160.7000110.9I2645 S2646 Q2651 F2652 I2653I2645-L2649 WeakPolarHBondContact O-CB 3.31Å; I2645-L2649 PolarHBondContact O-N 3.25Å; S2646-L2649 PolarHBondContact O-N 3.05Å; L2649-Q2651 VanDerWaalsContact C-N 3.33Å; L2649-Q2651 PolarHBondContact O-N 3.14Å; L2649-F2652 WeakPolarHBondContact O-CB 3.11Å; L2649-F2652 PolarHBondContact O-N 3.33Å; L2649-F2652 VanDerWaalsContact O-N 3.16Å; L2649-I2653 HydrophobicContact CD2-CD1 3.52Å; L2649-I2653 VanDerWaalsContact CD2-CD1 3.41Å; L2649-I2653 HydrophobicContact CD2-CG1 4.2Å; L2649-I2653 PolarHBondContact O-N 3.01Å
2650V92.2Very high89Confident49 Ų4946.7 Ų46.730%0.29725%0.251SS..Hα-helixtrans-61.6-40.6176.3169.40000111.4S2646 M2647 F2652 I2653 F2654S2646-V2650 WeakPolarHBondContact O-CB 3.39Å; S2646-V2650 VanDerWaalsContact O-CG2 3.29Å; S2646-V2650 WeakPolarHBondContact O-CG2 3.31Å; S2646-V2650 PolarHBondContact O-N 3.12Å; M2647-V2650 PolarHBondContact O-N 3.42Å; V2650-F2652 VanDerWaalsContact C-N 3.33Å; V2650-F2652 PolarHBondContact O-N 3.26Å; V2650-I2653 PolarHBondContact O-N 3.08Å; V2650-F2654 HydrophobicContact CG1-CD2 4.04Å; V2650-F2654 HydrophobicContact CG1-CE1 4.22Å; V2650-F2654 HydrophobicContact CG1-CE2 3.42Å; V2650-F2654 VanDerWaalsContact CG1-CE2 3.42Å; V2650-F2654 HydrophobicContact CG1-CZ 3.51Å; V2650-F2654 VanDerWaalsContact CG1-CZ 3.49Å; V2650-F2654 WeakPolarHBondContact O-CD2 3.34Å; V2650-F2654 WeakPolarHBondContact O-CG 3.4Å; V2650-F2654 PolarHBondContact O-N 3.42Å
2651Q92.6Very high90Very high6.66667 Ų6.6666744.3 Ų44.33%0.03124%0.235CC..Hα-helixtrans-60.4-43.117417964.113.700112.2E2607 F2611 M2614 M2647 L2648 L2649 I2653 F2654 I2655 K2710E2607-Q2651 VanDerWaalsContact CD-NE2 3.31Å; E2607-Q2651 PolarHBondContact O-NE2 3.12Å; E2607-Q2651 VanDerWaalsContact O-NE2 3.14Å; E2607-Q2651 PolarHBondContact OE1-NE2 3.15Å; E2607-Q2651 PolarHBondContact OE2-NE2 3.06Å; E2607-Q2651 PolarHBondContact OE2-OE1 3.17Å; F2611-Q2651 HydrophobicContact CD2-CG 4.4Å; M2614-Q2651 HydrophobicContact CE-CB 3.59Å; M2614-Q2651 VanDerWaalsContact CE-CB 3.47Å; M2614-Q2651 HydrophobicContact CE-CG 3.46Å; M2614-Q2651 HydrophobicContact SD-CB 4.42Å; M2647-Q2651 WeakPolarHBondContact O-CB 3.33Å; M2647-Q2651 PolarHBondContact O-N 3.33Å; L2648-Q2651 PolarHBondContact O-N 3.21Å; L2649-Q2651 VanDerWaalsContact C-N 3.33Å; L2649-Q2651 PolarHBondContact O-N 3.14Å; Q2651-I2653 VanDerWaalsContact C-N 3.34Å; Q2651-I2653 PolarHBondContact O-N 3.43Å; Q2651-F2654 PolarHBondContact O-N 3.41Å; Q2651-I2655 HydrophobicContact CG-CD1 4.16Å; Q2651-I2655 WeakPolarHBondContact O-CG1 3.36Å; Q2651-I2655 PolarHBondContact O-N 3.16Å; Q2651-K2710 VanDerWaalsContact OE1-CE 3.28Å
2652F92.1Very high90.7Very high92.3333 Ų92.333343.4 Ų43.441%0.40523%0.229SC..Hα-helixtrans-63.5-40.8178.6-172.5-112.5000111.8L2648 L2649 V2650 F2654 I2655 I2656 L2758L2648-F2652 PolarHBondContact O-N 3.17Å; L2649-F2652 WeakPolarHBondContact O-CB 3.11Å; L2649-F2652 PolarHBondContact O-N 3.33Å; L2649-F2652 VanDerWaalsContact O-N 3.16Å; V2650-F2652 VanDerWaalsContact C-N 3.33Å; V2650-F2652 PolarHBondContact O-N 3.26Å; F2652-F2654 VanDerWaalsContact C-N 3.34Å; F2652-F2654 PolarHBondContact O-N 3.36Å; F2652-I2655 PolarHBondContact O-N 3.08Å; F2652-I2656 HydrophobicContact CD1-CD1 3.77Å; F2652-I2656 HydrophobicContact CE1-CD1 3.4Å; F2652-I2656 VanDerWaalsContact CE1-CD1 3.43Å; F2652-I2656 HydrophobicContact CE1-CG1 4.4Å; F2652-I2656 HydrophobicContact CE2-CD1 4.42Å; F2652-I2656 HydrophobicContact CG-CD1 4.43Å; F2652-I2656 HydrophobicContact CZ-CD1 3.77Å; F2652-I2656 HydrophobicContact CZ-CG1 4.5Å; F2652-I2656 WeakPolarHBondContact O-CG1 3.48Å; F2652-I2656 PolarHBondContact O-N 3.14Å; F2652-I2656 VanDerWaalsContact O-N 3.1Å; F2652-L2758 HydrophobicContact CE2-CD1 4.15Å; F2652-L2758 HydrophobicContact CZ-CD1 3.99Å
2653I94Very high91.1Very high84.6667 Ų84.666737.6 Ų37.643%0.43420%0.199SC..Hα-helixtrans-61.2-40.6173-68.8176.7000111.5L2649 V2650 Q2651 I2655 I2656 T2657L2649-I2653 HydrophobicContact CD2-CD1 3.52Å; L2649-I2653 VanDerWaalsContact CD2-CD1 3.41Å; L2649-I2653 HydrophobicContact CD2-CG1 4.2Å; L2649-I2653 PolarHBondContact O-N 3.01Å; V2650-I2653 PolarHBondContact O-N 3.08Å; Q2651-I2653 VanDerWaalsContact C-N 3.34Å; Q2651-I2653 PolarHBondContact O-N 3.43Å; I2653-I2655 PolarHBondContact O-N 3.05Å; I2653-I2656 PolarHBondContact O-N 3.17Å; I2653-T2657 VanDerWaalsContact O-CB 3.32Å; I2653-T2657 WeakPolarHBondContact O-CB 3.43Å; I2653-T2657 PolarHBondContact O-N 3.02Å; I2653-T2657 PolarHBondContact O-OG1 3.02Å
2654F93.8Very high91.5Very high21.3333 Ų21.333340.5 Ų40.59%0.09421%0.21CC..Hα-helixtrans-64.1-40.7176.7-67.9-27.1000112.8V2650 Q2651 F2652 I2656 T2657 D2658 F2673 H2677 L2680V2650-F2654 HydrophobicContact CG1-CD2 4.04Å; V2650-F2654 HydrophobicContact CG1-CE1 4.22Å; V2650-F2654 HydrophobicContact CG1-CE2 3.42Å; V2650-F2654 VanDerWaalsContact CG1-CE2 3.42Å; V2650-F2654 HydrophobicContact CG1-CZ 3.51Å; V2650-F2654 VanDerWaalsContact CG1-CZ 3.49Å; V2650-F2654 WeakPolarHBondContact O-CD2 3.34Å; V2650-F2654 WeakPolarHBondContact O-CG 3.4Å; V2650-F2654 PolarHBondContact O-N 3.42Å; Q2651-F2654 PolarHBondContact O-N 3.41Å; F2652-F2654 VanDerWaalsContact C-N 3.34Å; F2652-F2654 PolarHBondContact O-N 3.36Å; F2654-I2656 PolarHBondContact O-N 3.2Å; F2654-T2657 PolarHBondContact O-N 3.19Å; F2654-D2658 WeakPolarHBondContact O-CB 3.3Å; F2654-D2658 PolarHBondContact O-N 3.13Å; F2654-F2673 HydrophobicContact CB-CZ 4.15Å; F2654-F2673 AromaticContact CD1-CE2 3.92Å; F2654-F2673 HydrophobicContact CD1-CE2 3.92Å; F2654-F2673 AromaticContact CD1-CZ 3.97Å; F2654-F2673 HydrophobicContact CD1-CZ 4.05Å; F2654-F2673 HydrophobicContact CE1-CE2 4.49Å; F2654-F2673 HydrophobicContact CG-CZ 4.36Å; F2654-H2677 AromaticContact CD2-CD2 3.9Å; F2654-H2677 AromaticContact CD2-CE1 3.74Å; F2654-H2677 AromaticContact CD2-NE2 3.4Å; F2654-H2677 WeakPolarHBondContact CD2-NE2 3.41Å; F2654-H2677 AromaticContact CE2-CD2 3.76Å; F2654-H2677 AromaticContact CE2-NE2 3.72Å; F2654-H2677 AromaticContact CG-CE1 3.82Å; F2654-H2677 AromaticContact CG-NE2 3.9Å; F2654-L2680 HydrophobicContact CE2-CD2 4.14Å; F2654-L2680 HydrophobicContact CZ-CD1 4Å; F2654-L2680 HydrophobicContact CZ-CD2 3.91Å; F2654-L2680 HydrophobicContact CZ-CG 4.48Å
2655I93.8Very high91.8Very high24.3333 Ų24.333343 Ų4313%0.12522%0.22CC..Hα-helixtrans-61.4-47176.2-68.3165.4000111F2604 E2607 Q2651 F2652 I2653 D2658 R2659F2604-I2655 HydrophobicContact CD2-CG2 4.4Å; F2604-I2655 HydrophobicContact CE2-CG2 4.18Å; E2607-I2655 HydrophobicContact CB-CD1 4.24Å; E2607-I2655 HydrophobicContact CB-CG1 3.83Å; E2607-I2655 HydrophobicContact CG-CG1 4.42Å; E2607-I2655 WeakPolarHBondContact OE2-CA 3.48Å; E2607-I2655 WeakPolarHBondContact OE2-CG1 3.48Å; Q2651-I2655 HydrophobicContact CG-CD1 4.16Å; Q2651-I2655 WeakPolarHBondContact O-CG1 3.36Å; Q2651-I2655 PolarHBondContact O-N 3.16Å; F2652-I2655 PolarHBondContact O-N 3.08Å; I2653-I2655 PolarHBondContact O-N 3.05Å; I2655-D2658 PolarHBondContact O-N 3.38Å; I2655-R2659 PolarHBondContact O-N 3Å
2656I93.8Very high91.9Very high52 Ų5243.7 Ų43.727%0.26722%0.222SC..Hα-helixtrans-62.1-46.6177.8-71.6177000110.7F2652 I2653 F2654 D2658 R2659 G2660 M2762 W2766F2652-I2656 HydrophobicContact CD1-CD1 3.77Å; F2652-I2656 HydrophobicContact CE1-CD1 3.4Å; F2652-I2656 VanDerWaalsContact CE1-CD1 3.43Å; F2652-I2656 HydrophobicContact CE1-CG1 4.4Å; F2652-I2656 HydrophobicContact CE2-CD1 4.42Å; F2652-I2656 HydrophobicContact CG-CD1 4.43Å; F2652-I2656 HydrophobicContact CZ-CD1 3.77Å; F2652-I2656 HydrophobicContact CZ-CG1 4.5Å; F2652-I2656 WeakPolarHBondContact O-CG1 3.48Å; F2652-I2656 PolarHBondContact O-N 3.14Å; F2652-I2656 VanDerWaalsContact O-N 3.1Å; I2653-I2656 PolarHBondContact O-N 3.17Å; F2654-I2656 PolarHBondContact O-N 3.2Å; I2656-D2658 VanDerWaalsContact C-N 3.34Å; I2656-D2658 PolarHBondContact O-N 3.15Å; I2656-R2659 PolarHBondContact O-N 3.09Å; I2656-G2660 PolarHBondContact O-N 3Å; I2656-G2660 VanDerWaalsContact O-N 3.07Å; I2656-M2762 HydrophobicContact CG1-SD 4.27Å; I2656-W2766 HydrophobicContact CG2-CH2 3.74Å; I2656-W2766 HydrophobicContact CG2-CZ2 4.42Å; I2656-W2766 VanDerWaalsContact O-CH2 3.23Å; I2656-W2766 WeakPolarHBondContact O-CH2 3.4Å
2657T93.1Very high92.1Very high53 Ų5342.9 Ų42.933%0.32522%0.215SC..Hα-helixtrans-63.2-40.2179.8-55.60000111.6I2653 F2654 G2660 L2661 F2673I2653-T2657 VanDerWaalsContact O-CB 3.32Å; I2653-T2657 WeakPolarHBondContact O-CB 3.43Å; I2653-T2657 PolarHBondContact O-N 3.02Å; I2653-T2657 PolarHBondContact O-OG1 3.02Å; F2654-T2657 PolarHBondContact O-N 3.19Å; T2657-G2660 PolarHBondContact O-N 3.1Å; T2657-L2661 HydrophobicContact CG2-CD1 4.08Å; T2657-L2661 HydrophobicContact CG2-CG 4.49Å; T2657-L2661 WeakPolarHBondContact O-CB 3.41Å; T2657-L2661 WeakPolarHBondContact O-CG 3.39Å; T2657-L2661 PolarHBondContact O-N 3.23Å; T2657-F2673 HydrophobicContact CG2-CD2 3.88Å; T2657-F2673 HydrophobicContact CG2-CE2 3.66Å; T2657-F2673 HydrophobicContact CG2-CZ 4.16Å
2658D94.1Very high92.2Very high3 Ų346.5 Ų46.52%0.01623%0.234CC..Hα-helixtrans-65.8-41.2176.2-1637.1000112Y2600 M2603 F2654 I2655 I2656 G2660 L2661 F2662 K2670 F2673 Y2713Y2600-D2658 HydrophobicContact CE2-CB 4.49Å; M2603-D2658 WeakPolarHBondContact CE-OD2 3.18Å; F2654-D2658 WeakPolarHBondContact O-CB 3.3Å; F2654-D2658 PolarHBondContact O-N 3.13Å; I2655-D2658 PolarHBondContact O-N 3.38Å; I2656-D2658 VanDerWaalsContact C-N 3.34Å; I2656-D2658 PolarHBondContact O-N 3.15Å; D2658-G2660 VanDerWaalsContact C-N 3.31Å; D2658-G2660 PolarHBondContact O-N 3.31Å; D2658-L2661 PolarHBondContact O-N 3.16Å; D2658-F2662 WeakPolarHBondContact O-CB 3.41Å; D2658-F2662 PolarHBondContact O-N 3.33Å; D2658-K2670 WeakPolarHBondContact OD1-CE 3.4Å; D2658-K2670 IonicContact OD1-NZ 3.14Å; D2658-K2670 PolarHBondContact OD1-NZ 3.05Å; D2658-K2670 IonicContact OD2-NZ 3.41Å; D2658-K2670 PolarHBondContact OD2-NZ 2.9Å; D2658-F2673 HydrophobicContact CB-CE1 4.28Å; D2658-Y2713 VanDerWaalsContact CG-OH 3.3Å; D2658-Y2713 VanDerWaalsContact OD2-CE2 3.31Å; D2658-Y2713 WeakPolarHBondContact OD2-CE2 3.35Å; D2658-Y2713 PolarHBondContact OD2-OH 2.92Å
2659R92.7Very high92.2Very high27.6667 Ų27.666745.8 Ų45.810%0.10424%0.235CC..Hα-helixtrans-59.7-44.8175-173.763.9179.2171.6-2.5111.7Y2600 I2655 I2656 L2661 F2662 L2663 M2762 D2763 W2766Y2600-R2659 VanDerWaalsContact CE1-NH1 3.27Å; Y2600-R2659 WeakPolarHBondContact OH-CA 3.32Å; Y2600-R2659 WeakPolarHBondContact OH-CB 3.44Å; Y2600-R2659 VanDerWaalsContact OH-CD 3.27Å; Y2600-R2659 WeakPolarHBondContact OH-CD 3.41Å; I2655-R2659 PolarHBondContact O-N 3Å; I2656-R2659 PolarHBondContact O-N 3.09Å; R2659-L2661 PolarHBondContact O-N 3.02Å; R2659-F2662 WeakPolarHBondContact O-CB 3.45Å; R2659-F2662 PolarHBondContact O-N 3.09Å; R2659-L2663 HydrophobicContact CG-CD1 3.97Å; R2659-L2663 HydrophobicContact CG-CG 4.44Å; R2659-L2663 WeakPolarHBondContact O-CG 3.23Å; R2659-L2663 PolarHBondContact O-N 3.35Å; R2659-M2762 HydrophobicContact CB-CE 4.25Å; R2659-M2762 HydrophobicContact CB-SD 4.01Å; R2659-M2762 HydrophobicContact CG-CB 4.27Å; R2659-M2762 HydrophobicContact CG-CE 4.03Å; R2659-M2762 HydrophobicContact CG-SD 3.92Å; R2659-D2763 IonicContact CZ-OD1 2.74Å; R2659-D2763 VanDerWaalsContact CZ-OD1 3.27Å; R2659-D2763 IonicContact NE-OD1 3.43Å; R2659-D2763 PolarHBondContact NE-OD1 3.18Å; R2659-D2763 VanDerWaalsContact NH2-CG 3.29Å; R2659-D2763 IonicContact NH2-OD1 3.11Å; R2659-D2763 PolarHBondContact NH2-OD1 3.27Å; R2659-D2763 IonicContact NH2-OD2 3.36Å; R2659-D2763 PolarHBondContact NH2-OD2 3.23Å; R2659-D2763 VanDerWaalsContact NH2-OD2 3.08Å; R2659-W2766 HydrophobicContact CB-CZ3 4.11Å; R2659-W2766 HydrophobicContact CG-CE3 4.49Å; R2659-W2766 HydrophobicContact CG-CZ3 4.21Å
2660G92.6Very high92.3Very high4.33333 Ų4.3333341.1 Ų41.15%0.04521%0.21CC..Hα-helixtrans-61.5-47.3176.900000112.9I2656 T2657 D2658 F2662 L2663 Q2664I2656-G2660 PolarHBondContact O-N 3Å; I2656-G2660 VanDerWaalsContact O-N 3.07Å; T2657-G2660 PolarHBondContact O-N 3.1Å; D2658-G2660 VanDerWaalsContact C-N 3.31Å; D2658-G2660 PolarHBondContact O-N 3.31Å; G2660-F2662 VanDerWaalsContact C-N 3.31Å; G2660-F2662 PolarHBondContact O-N 2.95Å; G2660-L2663 PolarHBondContact O-N 3.21Å; G2660-Q2664 WeakPolarHBondContact O-CB 3.27Å; G2660-Q2664 WeakPolarHBondContact O-CG 3.36Å; G2660-Q2664 PolarHBondContact O-N 3.33Å; G2660-Q2664 VanDerWaalsContact O-N 3.08Å
2661L92.9Very high92.4Very high22 Ų2239.3 Ų39.312%0.11520%0.198CC..Hα-helixtrans-63.3-35178.1-72.3172.1000113.1T2657 D2658 R2659 K2665 Q2666 F2673T2657-L2661 HydrophobicContact CG2-CD1 4.08Å; T2657-L2661 HydrophobicContact CG2-CG 4.49Å; T2657-L2661 WeakPolarHBondContact O-CB 3.41Å; T2657-L2661 WeakPolarHBondContact O-CG 3.39Å; T2657-L2661 PolarHBondContact O-N 3.23Å; D2658-L2661 PolarHBondContact O-N 3.16Å; R2659-L2661 PolarHBondContact O-N 3.02Å; L2661-K2665 PolarHBondContact O-N 3.28Å; L2661-Q2666 PolarHBondContact O-N 3.07Å; L2661-F2673 HydrophobicContact CD1-CB 3.67Å; L2661-F2673 HydrophobicContact CD1-CD1 4.09Å; L2661-F2673 HydrophobicContact CD1-CD2 4.3Å; L2661-F2673 HydrophobicContact CD1-CG 3.78Å
2662F92.4Very high92.4Very high4 Ų443 Ų432%0.01822%0.217CC..Hα-helixtrans-66.3-51173.7172.5-101.3000112D2598 Y2600 D2658 R2659 G2660 Q2664 K2665 Y2725 I2729D2598-F2662 WeakPolarHBondContact OD1-CE2 3.38Å; Y2600-F2662 HydrophobicContact CD1-CD1 4.17Å; Y2600-F2662 HydrophobicContact CD1-CD2 4.47Å; Y2600-F2662 HydrophobicContact CD1-CE1 4.18Å; Y2600-F2662 HydrophobicContact CD1-CE2 4.47Å; Y2600-F2662 HydrophobicContact CD1-CG 4.3Å; Y2600-F2662 HydrophobicContact CD1-CZ 4.33Å; Y2600-F2662 HydrophobicContact CD2-CB 3.63Å; Y2600-F2662 HydrophobicContact CD2-CD1 4.15Å; Y2600-F2662 AromaticContact CD2-CD2 3.58Å; Y2600-F2662 HydrophobicContact CD2-CD2 3.58Å; Y2600-F2662 HydrophobicContact CD2-CE2 4.26Å; Y2600-F2662 AromaticContact CD2-CG 3.51Å; Y2600-F2662 HydrophobicContact CD2-CG 3.51Å; Y2600-F2662 VanDerWaalsContact CD2-CG 3.43Å; Y2600-F2662 HydrophobicContact CE1-CD1 4.37Å; Y2600-F2662 HydrophobicContact CE2-CB 3.7Å; Y2600-F2662 HydrophobicContact CE2-CD1 4.34Å; Y2600-F2662 HydrophobicContact CE2-CD2 4.45Å; Y2600-F2662 AromaticContact CE2-CG 3.91Å; Y2600-F2662 HydrophobicContact CE2-CG 3.95Å; Y2600-F2662 HydrophobicContact CG-CB 4.35Å; Y2600-F2662 AromaticContact CG-CD1 3.93Å; Y2600-F2662 HydrophobicContact CG-CD1 4.04Å; Y2600-F2662 AromaticContact CG-CD2 3.59Å; Y2600-F2662 HydrophobicContact CG-CD2 3.59Å; Y2600-F2662 HydrophobicContact CG-CE1 4.21Å; Y2600-F2662 AromaticContact CG-CE2 3.79Å; Y2600-F2662 HydrophobicContact CG-CE2 3.79Å; Y2600-F2662 AromaticContact CG-CG 3.72Å; Y2600-F2662 HydrophobicContact CG-CG 3.72Å; Y2600-F2662 AromaticContact CG-CZ 4Å; Y2600-F2662 HydrophobicContact CG-CZ 4.08Å; D2658-F2662 WeakPolarHBondContact O-CB 3.41Å; D2658-F2662 PolarHBondContact O-N 3.33Å; R2659-F2662 WeakPolarHBondContact O-CB 3.45Å; R2659-F2662 PolarHBondContact O-N 3.09Å; G2660-F2662 VanDerWaalsContact C-N 3.31Å; G2660-F2662 PolarHBondContact O-N 2.95Å; F2662-Q2664 PolarHBondContact O-N 3.19Å; F2662-K2665 WeakPolarHBondContact O-CA 3.37Å; F2662-K2665 PolarHBondContact O-N 3.17Å; F2662-K2665 VanDerWaalsContact O-N 3.13Å; F2662-Y2725 AromaticContact CD2-CD1 3.95Å; F2662-Y2725 HydrophobicContact CD2-CD1 3.95Å; F2662-Y2725 AromaticContact CD2-CE1 3.74Å; F2662-Y2725 HydrophobicContact CD2-CE1 3.74Å; F2662-Y2725 HydrophobicContact CE2-CD1 4.28Å; F2662-Y2725 HydrophobicContact CE2-CE1 4.42Å; F2662-I2729 HydrophobicContact CD1-CD1 4.34Å; F2662-I2729 HydrophobicContact CE1-CB 4.19Å; F2662-I2729 HydrophobicContact CE1-CD1 4.12Å; F2662-I2729 HydrophobicContact CE1-CG1 4.47Å; F2662-I2729 HydrophobicContact CE2-CG2 4.41Å; F2662-I2729 HydrophobicContact CZ-CB 3.85Å; F2662-I2729 HydrophobicContact CZ-CD1 4.35Å; F2662-I2729 HydrophobicContact CZ-CG2 4.12Å; F2662-I2729 WeakPolarHBondContact O-CD1 3.1Å
2663L91.2Very high92.5Very high15.6667 Ų15.666739.6 Ų39.68%0.08220%0.203CC..Hα-helixtrans-64.6-40.2-177.4-72.1170.1000112.4R2659 G2660 K2665 I2729 D2763 W2766R2659-L2663 HydrophobicContact CG-CD1 3.97Å; R2659-L2663 HydrophobicContact CG-CG 4.44Å; R2659-L2663 WeakPolarHBondContact O-CG 3.23Å; R2659-L2663 PolarHBondContact O-N 3.35Å; G2660-L2663 PolarHBondContact O-N 3.21Å; L2663-K2665 PolarHBondContact O-N 3.2Å; L2663-I2729 HydrophobicContact CD2-CD1 4.36Å; L2663-D2763 WeakPolarHBondContact CD1-OD1 3.32Å; L2663-W2766 HydrophobicContact CB-CB 3.97Å; L2663-W2766 HydrophobicContact CD1-CB 3.96Å; L2663-W2766 HydrophobicContact CD1-CE3 3.9Å
2664Q90.5Very high92.5Very high89 Ų8935.6 Ų35.642%0.41618%0.182SC..THydrogen-bonded Turntrans-73.2-5.9175-65.4-175.9-8.500113.7G2660 F2662 Q2666G2660-Q2664 WeakPolarHBondContact O-CB 3.27Å; G2660-Q2664 WeakPolarHBondContact O-CG 3.36Å; G2660-Q2664 PolarHBondContact O-N 3.33Å; G2660-Q2664 VanDerWaalsContact O-N 3.08Å; F2662-Q2664 PolarHBondContact O-N 3.19Å; Q2664-Q2666 HydrophobicContact CB-CG 3.95Å; Q2664-Q2666 PolarHBondContact O-N 3.06Å; Q2664-Q2666 VanDerWaalsContact O-N 3.13Å; Q2664-Q2666 VanDerWaalsContact OE1-NE2 3.1Å
2665K90.2Very high92.5Very high76.3333 Ų76.333337 Ų3733%0.33219%0.19SC..THydrogen-bonded Turntrans57.225.8179.7-56.5169.8-169.2173.20113.7L2661 F2662 L2663 V2667 Y2725 R2727 I2729L2661-K2665 PolarHBondContact O-N 3.28Å; F2662-K2665 WeakPolarHBondContact O-CA 3.37Å; F2662-K2665 PolarHBondContact O-N 3.17Å; F2662-K2665 VanDerWaalsContact O-N 3.13Å; L2663-K2665 PolarHBondContact O-N 3.2Å; K2665-V2667 PolarHBondContact O-N 3.19Å; K2665-V2667 VanDerWaalsContact O-N 3.15Å; K2665-Y2725 VanDerWaalsContact C-CD2 3.42Å; K2665-Y2725 VanDerWaalsContact CA-CD2 3.48Å; K2665-Y2725 HydrophobicContact CB-CD2 4.19Å; K2665-Y2725 HydrophobicContact CB-CG 4.46Å; K2665-Y2725 WeakPolarHBondContact O-CD2 3.24Å; K2665-R2727 PolarHBondContact NZ-O 3.39Å; K2665-I2729 HydrophobicContact CD-CD1 4.29Å; K2665-I2729 HydrophobicContact CG-CD1 3.92Å
2666Q89.6Confident92.5Very high96.3333 Ų96.333340.5 Ų40.545%0.4521%0.208SC..  trans-86.394.4-174.3-68.5-172.614.600112.5L2661 Q2664 L2668 G2669 K2670L2661-Q2666 PolarHBondContact O-N 3.07Å; Q2664-Q2666 HydrophobicContact CB-CG 3.95Å; Q2664-Q2666 PolarHBondContact O-N 3.06Å; Q2664-Q2666 VanDerWaalsContact O-N 3.13Å; Q2664-Q2666 VanDerWaalsContact OE1-NE2 3.1Å; Q2666-L2668 VanDerWaalsContact C-N 3.32Å; Q2666-L2668 PolarHBondContact O-N 3.16Å; Q2666-G2669 PolarHBondContact O-N 3.45Å; Q2666-K2670 PolarHBondContact O-N 3.28Å; Q2666-K2670 VanDerWaalsContact O-N 3.12Å
2667V90.5Very high92.5Very high31 Ų3138.1 Ų38.119%0.18820%0.196CC..Hα-helixtrans-62.8-36.7178.6-1760000112.2T2589 K2665 K2670 F2671 I2721 Y2725T2589-V2667 HydrophobicContact CG2-CG1 4.41Å; K2665-V2667 PolarHBondContact O-N 3.19Å; K2665-V2667 VanDerWaalsContact O-N 3.15Å; V2667-K2670 PolarHBondContact O-N 3.15Å; V2667-F2671 WeakPolarHBondContact O-CB 3.48Å; V2667-F2671 PolarHBondContact O-N 3.22Å; V2667-I2721 HydrophobicContact CG1-CG2 3.99Å; V2667-Y2725 HydrophobicContact CG2-CD2 3.74Å; V2667-Y2725 HydrophobicContact CG2-CE2 3.99Å
2668L90.8Very high92.6Very high92.6667 Ų92.666735.6 Ų35.649%0.48518%0.18SC..Hα-helixtrans-62.9-48.6176.9-177.467.8000111.8Y2585 Q2666 K2670 F2671 I2672Y2585-L2668 HydrophobicContact CD2-CD1 4.4Å; Y2585-L2668 HydrophobicContact CE1-CD1 4Å; Y2585-L2668 HydrophobicContact CE2-CD1 3.87Å; Y2585-L2668 WeakPolarHBondContact OH-CA 3.44Å; Y2585-L2668 WeakPolarHBondContact OH-CB 3.43Å; Y2585-L2668 PolarHBondContact OH-N 3.06Å; Q2666-L2668 VanDerWaalsContact C-N 3.32Å; Q2666-L2668 PolarHBondContact O-N 3.16Å; L2668-K2670 VanDerWaalsContact C-N 3.3Å; L2668-K2670 PolarHBondContact O-N 3.4Å; L2668-F2671 WeakPolarHBondContact O-CB 3.33Å; L2668-F2671 PolarHBondContact O-N 3.21Å; L2668-F2671 VanDerWaalsContact O-N 3.16Å; L2668-I2672 HydrophobicContact CD1-CD1 4.36Å; L2668-I2672 HydrophobicContact CG-CD1 4.17Å; L2668-I2672 WeakPolarHBondContact O-CG1 3.34Å; L2668-I2672 PolarHBondContact O-N 3.37Å
2669G92Very high92.6Very high18 Ų1839.5 Ų39.519%0.18620%0.204CC..Hα-helixtrans-60.2-41.7177.100000111.6Q2666 F2671 I2672 F2673Q2666-G2669 PolarHBondContact O-N 3.45Å; G2669-F2671 PolarHBondContact O-N 3.09Å; G2669-I2672 PolarHBondContact O-N 3.45Å; G2669-F2673 VanDerWaalsContact O-CB 3.26Å; G2669-F2673 WeakPolarHBondContact O-CB 3.24Å; G2669-F2673 PolarHBondContact O-N 2.96Å
2670K93.8Very high92.6Very high0.666667 Ų0.66666741.4 Ų41.40%0.00322%0.216CC..Hα-helixtrans-64.1-37.6175.5-171.365.6-175.9175.30113.2M2603 D2658 Q2666 V2667 L2668 F2673 Q2674 Y2713 S2717 I2721 Y2725M2603-K2670 VanDerWaalsContact CE-NZ 3.26Å; D2658-K2670 WeakPolarHBondContact OD1-CE 3.4Å; D2658-K2670 IonicContact OD1-NZ 3.14Å; D2658-K2670 PolarHBondContact OD1-NZ 3.05Å; D2658-K2670 IonicContact OD2-NZ 3.41Å; D2658-K2670 PolarHBondContact OD2-NZ 2.9Å; Q2666-K2670 PolarHBondContact O-N 3.28Å; Q2666-K2670 VanDerWaalsContact O-N 3.12Å; V2667-K2670 PolarHBondContact O-N 3.15Å; L2668-K2670 VanDerWaalsContact C-N 3.3Å; L2668-K2670 PolarHBondContact O-N 3.4Å; K2670-F2673 HydrophobicContact CD-CD1 4.34Å; K2670-F2673 PolarHBondContact O-N 2.91Å; K2670-Q2674 WeakPolarHBondContact O-CB 3.47Å; K2670-Q2674 PolarHBondContact O-N 3.28Å; K2670-Y2713 PolarHBondContact NZ-OH 3.08Å; K2670-S2717 WeakPolarHBondContact CE-OG 3.48Å; K2670-I2721 HydrophobicContact CB-CG1 4.29Å; K2670-I2721 HydrophobicContact CG-CD1 4.13Å; K2670-I2721 HydrophobicContact CG-CG1 3.72Å; K2670-Y2725 WeakPolarHBondContact CB-OH 3.34Å; K2670-Y2725 VanDerWaalsContact CG-OH 3.3Å; K2670-Y2725 WeakPolarHBondContact CG-OH 3.34Å
2671F93Very high92.6Very high9.33333 Ų9.3333341.7 Ų41.74%0.04122%0.216CC..Hα-helixtrans-65.5-44.6174.9175-99.4000112.5L2404 L2581 Y2585 M2588 V2667 L2668 G2669 F2673 Q2674 I2675 I2721L2404-F2671 HydrophobicContact CD1-CD2 4.43Å; L2404-F2671 HydrophobicContact CD1-CE2 4.04Å; L2581-F2671 HydrophobicContact CD1-CE1 4.39Å; L2581-F2671 HydrophobicContact CD1-CZ 3.95Å; L2581-F2671 HydrophobicContact CG-CE1 4.43Å; L2581-F2671 HydrophobicContact CG-CZ 4.43Å; Y2585-F2671 HydrophobicContact CD2-CB 4.41Å; Y2585-F2671 AromaticContact CD2-CD1 3.79Å; Y2585-F2671 HydrophobicContact CD2-CD1 3.79Å; Y2585-F2671 HydrophobicContact CD2-CD2 4.25Å; Y2585-F2671 AromaticContact CD2-CE1 3.86Å; Y2585-F2671 HydrophobicContact CD2-CE1 4.02Å; Y2585-F2671 HydrophobicContact CD2-CE2 4.39Å; Y2585-F2671 AromaticContact CD2-CG 3.9Å; Y2585-F2671 HydrophobicContact CD2-CG 3.9Å; Y2585-F2671 HydrophobicContact CD2-CZ 4.33Å; Y2585-F2671 HydrophobicContact CE2-CB 4.13Å; Y2585-F2671 HydrophobicContact CE2-CD1 4.23Å; Y2585-F2671 HydrophobicContact CE2-CG 4.13Å; M2588-F2671 HydrophobicContact CE-CD2 3.67Å; M2588-F2671 HydrophobicContact CE-CE2 3.94Å; M2588-F2671 HydrophobicContact CE-CG 4.36Å; M2588-F2671 HydrophobicContact SD-CD2 4.25Å; M2588-F2671 HydrophobicContact SD-CE2 4.17Å; V2667-F2671 WeakPolarHBondContact O-CB 3.48Å; V2667-F2671 PolarHBondContact O-N 3.22Å; L2668-F2671 WeakPolarHBondContact O-CB 3.33Å; L2668-F2671 PolarHBondContact O-N 3.21Å; L2668-F2671 VanDerWaalsContact O-N 3.16Å; G2669-F2671 PolarHBondContact O-N 3.09Å; F2671-F2673 VanDerWaalsContact C-N 3.34Å; F2671-Q2674 WeakPolarHBondContact O-CB 3.37Å; F2671-Q2674 PolarHBondContact O-N 3.09Å; F2671-I2675 HydrophobicContact CD1-CD1 4.11Å; F2671-I2675 HydrophobicContact CE1-CD1 3.63Å; F2671-I2675 HydrophobicContact CE2-CD1 4.38Å; F2671-I2675 HydrophobicContact CZ-CD1 3.8Å; F2671-I2675 WeakPolarHBondContact O-CG1 3.48Å; F2671-I2675 PolarHBondContact O-N 2.97Å; F2671-I2721 HydrophobicContact CB-CG2 4.26Å; F2671-I2721 HydrophobicContact CD2-CG2 4.33Å
2672I93.3Very high92.6Very high85 Ų8540.9 Ų40.944%0.43621%0.212SC..Hα-helixtrans-64.2-44.8175.7-65.1167.9000110.2L2668 G2669 Q2674 I2675 I2676L2668-I2672 HydrophobicContact CD1-CD1 4.36Å; L2668-I2672 HydrophobicContact CG-CD1 4.17Å; L2668-I2672 WeakPolarHBondContact O-CG1 3.34Å; L2668-I2672 PolarHBondContact O-N 3.37Å; G2669-I2672 PolarHBondContact O-N 3.45Å; I2672-Q2674 VanDerWaalsContact C-N 3.33Å; I2672-Q2674 PolarHBondContact O-N 2.96Å; I2672-I2675 PolarHBondContact O-N 3.26Å; I2672-I2676 HydrophobicContact CG2-CD1 3.84Å; I2672-I2676 WeakPolarHBondContact O-CG1 3.41Å; I2672-I2676 PolarHBondContact O-N 2.96Å; I2672-I2676 VanDerWaalsContact O-N 3.09Å
2673F94.5Very high92.5Very high21.6667 Ų21.666742 Ų4210%0.09522%0.224CC..Hα-helixtrans-59.2-42.9176.6-177.4-110.1000112.2F2654 T2657 D2658 L2661 G2669 K2670 F2671 I2675 I2676 H2677 Y2713F2654-F2673 HydrophobicContact CB-CZ 4.15Å; F2654-F2673 AromaticContact CD1-CE2 3.92Å; F2654-F2673 HydrophobicContact CD1-CE2 3.92Å; F2654-F2673 AromaticContact CD1-CZ 3.97Å; F2654-F2673 HydrophobicContact CD1-CZ 4.05Å; F2654-F2673 HydrophobicContact CE1-CE2 4.49Å; F2654-F2673 HydrophobicContact CG-CZ 4.36Å; T2657-F2673 HydrophobicContact CG2-CD2 3.88Å; T2657-F2673 HydrophobicContact CG2-CE2 3.66Å; T2657-F2673 HydrophobicContact CG2-CZ 4.16Å; D2658-F2673 HydrophobicContact CB-CE1 4.28Å; L2661-F2673 HydrophobicContact CD1-CB 3.67Å; L2661-F2673 HydrophobicContact CD1-CD1 4.09Å; L2661-F2673 HydrophobicContact CD1-CD2 4.3Å; L2661-F2673 HydrophobicContact CD1-CG 3.78Å; G2669-F2673 VanDerWaalsContact O-CB 3.26Å; G2669-F2673 WeakPolarHBondContact O-CB 3.24Å; G2669-F2673 PolarHBondContact O-N 2.96Å; K2670-F2673 HydrophobicContact CD-CD1 4.34Å; K2670-F2673 PolarHBondContact O-N 2.91Å; F2671-F2673 VanDerWaalsContact C-N 3.34Å; F2673-I2675 PolarHBondContact O-N 3.09Å; F2673-I2676 PolarHBondContact O-N 3.12Å; F2673-H2677 AromaticContact CE1-ND1 3.63Å; F2673-H2677 AromaticContact CZ-ND1 3.66Å; F2673-H2677 WeakPolarHBondContact O-CB 3.38Å; F2673-H2677 PolarHBondContact O-N 2.99Å; F2673-Y2713 WeakPolarHBondContact CE1-OH 3.32Å
2674Q94.5Very high92.5Very high0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-56.3-47.7174.617776.5-0.700111.8K2670 F2671 I2672 H2677 V2678 F2714 S2717 I2721K2670-Q2674 WeakPolarHBondContact O-CB 3.47Å; K2670-Q2674 PolarHBondContact O-N 3.28Å; F2671-Q2674 WeakPolarHBondContact O-CB 3.37Å; F2671-Q2674 PolarHBondContact O-N 3.09Å; I2672-Q2674 VanDerWaalsContact C-N 3.33Å; I2672-Q2674 PolarHBondContact O-N 2.96Å; Q2674-H2677 PolarHBondContact O-N 2.95Å; Q2674-V2678 HydrophobicContact CG-CG2 4.48Å; Q2674-V2678 WeakPolarHBondContact O-CB 3.34Å; Q2674-V2678 WeakPolarHBondContact O-CG2 3.44Å; Q2674-V2678 PolarHBondContact O-N 3.39Å; Q2674-F2714 PolarHBondContact NE2-O 3.2Å; Q2674-S2717 PolarHBondContact OE1-OG 3.39Å; Q2674-I2721 HydrophobicContact CB-CD1 3.8Å; Q2674-I2721 HydrophobicContact CG-CD1 4.1Å
2675I93.2Very high92.4Very high50.3333 Ų50.333339.6 Ų39.626%0.25821%0.21SC..Hα-helixtrans-62.3-49.4-179.3-65.7167.4000110.5L2400 F2671 I2672 F2673 H2677 V2678 V2679L2400-I2675 HydrophobicContact CD2-CG1 4.23Å; F2671-I2675 HydrophobicContact CD1-CD1 4.11Å; F2671-I2675 HydrophobicContact CE1-CD1 3.63Å; F2671-I2675 HydrophobicContact CE2-CD1 4.38Å; F2671-I2675 HydrophobicContact CZ-CD1 3.8Å; F2671-I2675 WeakPolarHBondContact O-CG1 3.48Å; F2671-I2675 PolarHBondContact O-N 2.97Å; I2672-I2675 PolarHBondContact O-N 3.26Å; F2673-I2675 PolarHBondContact O-N 3.09Å; I2675-H2677 PolarHBondContact O-N 3.21Å; I2675-V2678 PolarHBondContact O-N 3.36Å; I2675-V2679 WeakPolarHBondContact O-CG2 3.28Å; I2675-V2679 PolarHBondContact O-N 3.07Å; I2675-V2679 VanDerWaalsContact O-N 3.11Å
2676I94.3Very high92.3Very high99.3333 Ų99.333337 Ų3751%0.50920%0.199SC..Hα-helixtrans-62.8-46.1-179.3-65.2171.4000110.8I2672 F2673 V2679 L2680I2672-I2676 HydrophobicContact CG2-CD1 3.84Å; I2672-I2676 WeakPolarHBondContact O-CG1 3.41Å; I2672-I2676 PolarHBondContact O-N 2.96Å; I2672-I2676 VanDerWaalsContact O-N 3.09Å; F2673-I2676 PolarHBondContact O-N 3.12Å; I2676-V2679 PolarHBondContact O-N 3.35Å; I2676-L2680 VanDerWaalsContact O-CB 3.27Å; I2676-L2680 WeakPolarHBondContact O-CB 3.28Å; I2676-L2680 PolarHBondContact O-N 3.28Å
2677H94.2Very high92.2Very high1 Ų136.6 Ų36.61%0.00520%0.196CC..Hα-helixtrans-67.7-39.3-176.6-166.3171.3000111.5E2607 F2654 F2673 Q2674 I2675 L2680 I2681 K2710 Y2713 F2714E2607-H2677 IonicContact OE1-CE1 3.16Å; E2607-H2677 IonicContact OE2-CE1 2.64Å; F2654-H2677 AromaticContact CD2-CD2 3.9Å; F2654-H2677 AromaticContact CD2-CE1 3.74Å; F2654-H2677 AromaticContact CD2-NE2 3.4Å; F2654-H2677 WeakPolarHBondContact CD2-NE2 3.41Å; F2654-H2677 AromaticContact CE2-CD2 3.76Å; F2654-H2677 AromaticContact CE2-NE2 3.72Å; F2654-H2677 AromaticContact CG-CE1 3.82Å; F2654-H2677 AromaticContact CG-NE2 3.9Å; F2673-H2677 AromaticContact CE1-ND1 3.63Å; F2673-H2677 AromaticContact CZ-ND1 3.66Å; F2673-H2677 WeakPolarHBondContact O-CB 3.38Å; F2673-H2677 PolarHBondContact O-N 2.99Å; Q2674-H2677 PolarHBondContact O-N 2.95Å; I2675-H2677 PolarHBondContact O-N 3.21Å; H2677-L2680 PolarHBondContact O-N 3.28Å; H2677-I2681 WeakPolarHBondContact O-CB 3.48Å; H2677-I2681 WeakPolarHBondContact O-CG1 3.39Å; H2677-I2681 PolarHBondContact O-N 3.42Å; H2677-K2710 PolarHBondContact CE1-NZ 2.85Å; H2677-K2710 PolarHBondContact NE2-NZ 3.25Å; H2677-Y2713 AromaticContact CE1-CE1 3.66Å; H2677-Y2713 AromaticContact ND1-CE1 3.72Å; H2677-F2714 HydrophobicContact CB-CE1 3.92Å; H2677-F2714 HydrophobicContact CB-CZ 4.47Å; H2677-F2714 AromaticContact CD2-CE1 3.72Å; H2677-F2714 AromaticContact CD2-CZ 3.7Å; H2677-F2714 AromaticContact CG-CE1 3.6Å; H2677-F2714 AromaticContact CG-CZ 3.96Å; H2677-F2714 AromaticContact ND1-CE1 3.77Å; H2677-F2714 WeakPolarHBondContact O-CZ 3.45Å
2678V94.8Very high92.1Very high0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-62-49173.6168.30000111L2396 L2399 L2400 Q2674 I2675 L2680 H2682 F2714L2396-V2678 HydrophobicContact CD2-CG1 3.61Å; L2399-V2678 HydrophobicContact CB-CG2 4.47Å; L2399-V2678 HydrophobicContact CD1-CG1 4.4Å; L2399-V2678 HydrophobicContact CD1-CG2 4.37Å; L2400-V2678 HydrophobicContact CD1-CG1 4.34Å; L2400-V2678 HydrophobicContact CD2-CB 4.24Å; L2400-V2678 HydrophobicContact CD2-CG1 4.18Å; L2400-V2678 HydrophobicContact CD2-CG2 4.32Å; L2400-V2678 HydrophobicContact CG-CG1 4.26Å; Q2674-V2678 HydrophobicContact CG-CG2 4.48Å; Q2674-V2678 WeakPolarHBondContact O-CB 3.34Å; Q2674-V2678 WeakPolarHBondContact O-CG2 3.44Å; Q2674-V2678 PolarHBondContact O-N 3.39Å; I2675-V2678 PolarHBondContact O-N 3.36Å; V2678-L2680 PolarHBondContact O-N 2.95Å; V2678-H2682 PolarHBondContact O-N 3.02Å; V2678-H2682 VanDerWaalsContact O-N 3.16Å; V2678-H2682 PolarHBondContact O-ND1 3.31Å; V2678-F2714 HydrophobicContact CB-CE1 4.49Å; V2678-F2714 HydrophobicContact CB-CZ 4.48Å; V2678-F2714 HydrophobicContact CG2-CB 4.29Å; V2678-F2714 HydrophobicContact CG2-CD1 3.54Å; V2678-F2714 HydrophobicContact CG2-CD2 3.94Å; V2678-F2714 HydrophobicContact CG2-CE1 3.72Å; V2678-F2714 HydrophobicContact CG2-CE2 4.11Å; V2678-F2714 HydrophobicContact CG2-CG 3.67Å; V2678-F2714 HydrophobicContact CG2-CZ 4.01Å
2679V92.9Very high91.9Very high85 Ų8534.4 Ų34.452%0.51518%0.183SC..Hα-helixtrans-63.3-44.4180171.80000111.2I2675 I2676 H2682 G2683I2675-V2679 WeakPolarHBondContact O-CG2 3.28Å; I2675-V2679 PolarHBondContact O-N 3.07Å; I2675-V2679 VanDerWaalsContact O-N 3.11Å; I2676-V2679 PolarHBondContact O-N 3.35Å; V2679-H2682 PolarHBondContact O-N 3.19Å; V2679-G2683 PolarHBondContact O-N 3.11Å
2680L93.4Very high91.6Very high67.6667 Ų67.666734 Ų3435%0.35418%0.177SC..Hα-helixtrans-64.3-43.3-178.7-171.5153.3000112F2654 I2676 H2677 V2678 G2683 W2684F2654-L2680 HydrophobicContact CE2-CD2 4.14Å; F2654-L2680 HydrophobicContact CZ-CD1 4Å; F2654-L2680 HydrophobicContact CZ-CD2 3.91Å; F2654-L2680 HydrophobicContact CZ-CG 4.48Å; I2676-L2680 VanDerWaalsContact O-CB 3.27Å; I2676-L2680 WeakPolarHBondContact O-CB 3.28Å; I2676-L2680 PolarHBondContact O-N 3.28Å; H2677-L2680 PolarHBondContact O-N 3.28Å; V2678-L2680 PolarHBondContact O-N 2.95Å; L2680-G2683 PolarHBondContact O-N 3.2Å; L2680-W2684 VanDerWaalsContact O-CB 3.24Å; L2680-W2684 WeakPolarHBondContact O-CB 3.31Å; L2680-W2684 PolarHBondContact O-N 3.18Å
2681I92.8Very high91.2Very high11.3333 Ų11.333338.9 Ų38.96%0.05820%0.2CC..Hα-helixtrans-68.7-40.4-179.8-71.2-70.7000112.1H2677 W2684 L2685 K2710 F2714H2677-I2681 WeakPolarHBondContact O-CB 3.48Å; H2677-I2681 WeakPolarHBondContact O-CG1 3.39Å; H2677-I2681 PolarHBondContact O-N 3.42Å; I2681-W2684 PolarHBondContact O-N 3.19Å; I2681-L2685 HydrophobicContact CG2-CD1 3.65Å; I2681-L2685 HydrophobicContact CG2-CG 4.31Å; I2681-L2685 WeakPolarHBondContact O-CB 3.33Å; I2681-L2685 WeakPolarHBondContact O-CG 3.32Å; I2681-L2685 PolarHBondContact O-N 3.17Å; I2681-K2710 HydrophobicContact CD1-CD 4.5Å; I2681-K2710 HydrophobicContact CG2-CB 4.43Å; I2681-K2710 HydrophobicContact CG2-CG 4.44Å; I2681-F2714 HydrophobicContact CB-CE2 4.25Å; I2681-F2714 HydrophobicContact CB-CZ 4.09Å; I2681-F2714 HydrophobicContact CG1-CE2 4.5Å; I2681-F2714 HydrophobicContact CG1-CZ 4Å; I2681-F2714 HydrophobicContact CG2-CE2 4.24Å; I2681-F2714 HydrophobicContact CG2-CZ 4.38Å
2682H92.3Very high90.9Very high4.66667 Ų4.6666741.1 Ų41.12%0.02221%0.211CC..Hα-helixtrans-68.5-39175.1-68.278.3000111.3V2678 V2679 W2684 F2686 Y2707V2678-H2682 PolarHBondContact O-N 3.02Å; V2678-H2682 VanDerWaalsContact O-N 3.16Å; V2678-H2682 PolarHBondContact O-ND1 3.31Å; V2679-H2682 PolarHBondContact O-N 3.19Å; H2682-W2684 PolarHBondContact O-N 2.91Å; H2682-F2686 HydrophobicContact CB-CD2 4.32Å; H2682-F2686 AromaticContact CD2-CE2 3.91Å; H2682-F2686 WeakPolarHBondContact O-CD2 3.33Å; H2682-F2686 PolarHBondContact O-N 2.94Å; H2682-Y2707 AromaticContact CD2-CE2 3.89Å; H2682-Y2707 AromaticContact NE2-CE2 3.57Å; H2682-Y2707 WeakPolarHBondContact NE2-CE2 3.41Å; H2682-Y2707 AromaticContact NE2-CZ 3.73Å; H2682-Y2707 PolarHBondContact NE2-OH 2.95Å
2683G91.1Very high90.4Very high26 Ų2637.7 Ų37.727%0.26820%0.195SC..Hα-helixtrans-60.1-45.4172.500000112.7V2679 L2680 F2687 I2688V2679-G2683 PolarHBondContact O-N 3.11Å; L2680-G2683 PolarHBondContact O-N 3.2Å; G2683-F2687 WeakPolarHBondContact O-CB 3.29Å; G2683-F2687 PolarHBondContact O-N 3.01Å; G2683-I2688 PolarHBondContact O-N 3.17Å
2684W90.6Very high89.8Confident55 Ų5543.5 Ų43.521%0.20822%0.216CC..Iπ-helixtrans-69.3-51.2-177.9-170.9-89.4000112.5M2647 L2680 I2681 H2682 I2688 L2689M2647-W2684 HydrophobicContact CB-CZ2 4.37Å; L2680-W2684 VanDerWaalsContact O-CB 3.24Å; L2680-W2684 WeakPolarHBondContact O-CB 3.31Å; L2680-W2684 PolarHBondContact O-N 3.18Å; I2681-W2684 PolarHBondContact O-N 3.19Å; H2682-W2684 PolarHBondContact O-N 2.91Å; W2684-I2688 HydrophobicContact CD2-CB 4.42Å; W2684-I2688 HydrophobicContact CD2-CD1 4.43Å; W2684-I2688 HydrophobicContact CD2-CG2 4.28Å; W2684-I2688 HydrophobicContact CE3-CB 4.32Å; W2684-I2688 HydrophobicContact CE3-CD1 3.66Å; W2684-I2688 HydrophobicContact CE3-CG2 4.03Å; W2684-I2688 HydrophobicContact CH2-CG2 4.34Å; W2684-I2688 HydrophobicContact CZ3-CD1 4.18Å; W2684-I2688 HydrophobicContact CZ3-CG2 4.06Å; W2684-I2688 PolarHBondContact O-N 3.2Å; W2684-L2689 WeakPolarHBondContact O-CB 3.37Å; W2684-L2689 PolarHBondContact O-N 3.26Å
2685L88.8Confident89.1Confident0.333333 Ų0.33333345.4 Ų45.40%0.00223%0.229CC..Iπ-helixtrans-75.7-30.4-170-93.1145.8000114M2647 I2681 L2689 P2690 F2697 L2706 Y2707M2647-L2685 HydrophobicContact CE-CD1 4.18Å; M2647-L2685 HydrophobicContact CE-CD2 4.25Å; I2681-L2685 HydrophobicContact CG2-CD1 3.65Å; I2681-L2685 HydrophobicContact CG2-CG 4.31Å; I2681-L2685 WeakPolarHBondContact O-CB 3.33Å; I2681-L2685 WeakPolarHBondContact O-CG 3.32Å; I2681-L2685 PolarHBondContact O-N 3.17Å; L2685-L2689 HydrophobicContact CD1-CD2 3.82Å; L2685-L2689 HydrophobicContact CD2-CD2 4Å; L2685-L2689 HydrophobicContact CG-CD2 4.48Å; L2685-P2690 WeakPolarHBondContact O-CD 3.26Å; L2685-F2697 HydrophobicContact CB-CE2 4.37Å; L2685-F2697 HydrophobicContact CD2-CD2 4.41Å; L2685-F2697 HydrophobicContact CD2-CE2 3.53Å; L2685-F2697 HydrophobicContact CD2-CZ 4.19Å; L2685-F2697 HydrophobicContact CG-CD2 4.09Å; L2685-F2697 HydrophobicContact CG-CE2 3.68Å; L2685-L2706 HydrophobicContact CD1-CD2 3.87Å; L2685-L2706 HydrophobicContact CD2-CD2 4.08Å; L2685-L2706 HydrophobicContact CG-CD2 4.48Å; L2685-Y2707 HydrophobicContact CD1-CD2 3.91Å; L2685-Y2707 HydrophobicContact CD1-CG 4.47Å; L2685-Y2707 HydrophobicContact CD2-CD2 3.78Å; L2685-Y2707 HydrophobicContact CD2-CG 4.13Å
2686F88.3Confident88.5Confident21.6667 Ų21.666744.8 Ų44.810%0.09523%0.229CC..Iπ-helixtrans-101.9-20-175.7-60.5-67.9000114.4H2383 A2387 H2682 P2690 F2697 Y2707H2383-F2686 AromaticContact CD2-CE2 3.8Å; H2383-F2686 AromaticContact CD2-CZ 3.62Å; H2383-F2686 VanDerWaalsContact CD2-CZ 3.47Å; H2383-F2686 WeakPolarHBondContact CD2-CZ 3.36Å; H2383-F2686 AromaticContact NE2-CD2 3.61Å; H2383-F2686 AromaticContact NE2-CE1 3.81Å; H2383-F2686 AromaticContact NE2-CE2 3.14Å; H2383-F2686 WeakPolarHBondContact NE2-CE2 3.37Å; H2383-F2686 AromaticContact NE2-CZ 3.25Å; H2383-F2686 VanDerWaalsContact NE2-CZ 3.31Å; H2383-F2686 WeakPolarHBondContact NE2-CZ 3.37Å; A2387-F2686 HydrophobicContact CB-CD1 4.29Å; A2387-F2686 HydrophobicContact CB-CE1 4.23Å; H2682-F2686 HydrophobicContact CB-CD2 4.32Å; H2682-F2686 AromaticContact CD2-CE2 3.91Å; H2682-F2686 WeakPolarHBondContact O-CD2 3.33Å; H2682-F2686 PolarHBondContact O-N 2.94Å; F2686-P2690 WeakPolarHBondContact O-CG 3.48Å; F2686-F2697 HydrophobicContact CD1-CD2 4.45Å; F2686-F2697 HydrophobicContact CD1-CG 4.38Å; F2686-F2697 AromaticContact CE1-CD1 3.93Å; F2686-F2697 HydrophobicContact CE1-CD1 3.98Å; F2686-F2697 HydrophobicContact CE1-CD2 4.22Å; F2686-F2697 AromaticContact CE1-CE1 3.94Å; F2686-F2697 HydrophobicContact CE1-CE1 4.05Å; F2686-F2697 HydrophobicContact CE1-CE2 4.29Å; F2686-F2697 HydrophobicContact CE1-CG 4.07Å; F2686-F2697 HydrophobicContact CE1-CZ 4.2Å; F2686-F2697 HydrophobicContact CZ-CE1 4.48Å; F2686-F2697 HydrophobicContact CZ-CZ 4.39Å; F2686-Y2707 AromaticContact CE2-CD2 3.98Å; F2686-Y2707 HydrophobicContact CE2-CD2 4Å; F2686-Y2707 AromaticContact CE2-CE2 3.68Å; F2686-Y2707 HydrophobicContact CE2-CE2 3.68Å; F2686-Y2707 HydrophobicContact CZ-CD1 4.4Å; F2686-Y2707 AromaticContact CZ-CD2 3.91Å; F2686-Y2707 HydrophobicContact CZ-CD2 3.91Å; F2686-Y2707 HydrophobicContact CZ-CE1 4.32Å; F2686-Y2707 AromaticContact CZ-CE2 3.84Å; F2686-Y2707 HydrophobicContact CZ-CE2 3.84Å; F2686-Y2707 HydrophobicContact CZ-CG 4.22Å
2687F87.3Confident88Confident87 Ų8740.6 Ų40.638%0.38221%0.207SC..Iπ-helixtrans-116.1-54.2178.8-55.5-87000112.8L2389 L2392 I2457 G2683 H2691L2389-F2687 HydrophobicContact CD1-CZ 4.18Å; L2392-F2687 HydrophobicContact CD1-CE2 3.9Å; L2392-F2687 HydrophobicContact CD1-CZ 4.12Å; I2457-F2687 HydrophobicContact CG2-CE1 4.48Å; G2683-F2687 WeakPolarHBondContact O-CB 3.29Å; G2683-F2687 PolarHBondContact O-N 3.01Å; F2687-H2691 VanDerWaalsContact O-CB 3.28Å; F2687-H2691 WeakPolarHBondContact O-CB 3.35Å; F2687-H2691 PolarHBondContact O-N 3.12Å
2688I88.2Confident87.4Confident70.6667 Ų70.666743.7 Ų43.736%0.36223%0.226SC..Iπ-helixtrans-72.2-46.2-173.9-60173.6000111.1G2683 W2684 H2691 I2692G2683-I2688 PolarHBondContact O-N 3.17Å; W2684-I2688 HydrophobicContact CD2-CB 4.42Å; W2684-I2688 HydrophobicContact CD2-CD1 4.43Å; W2684-I2688 HydrophobicContact CD2-CG2 4.28Å; W2684-I2688 HydrophobicContact CE3-CB 4.32Å; W2684-I2688 HydrophobicContact CE3-CD1 3.66Å; W2684-I2688 HydrophobicContact CE3-CG2 4.03Å; W2684-I2688 HydrophobicContact CH2-CG2 4.34Å; W2684-I2688 HydrophobicContact CZ3-CD1 4.18Å; W2684-I2688 HydrophobicContact CZ3-CG2 4.06Å; W2684-I2688 PolarHBondContact O-N 3.2Å; I2688-H2691 WeakPolarHBondContact O-CB 3.44Å; I2688-H2691 PolarHBondContact O-N 3.02Å; I2688-I2692 HydrophobicContact CG2-CD1 3.67Å; I2688-I2692 HydrophobicContact CG2-CG1 4.46Å; I2688-I2692 WeakPolarHBondContact O-CG1 3.33Å; I2688-I2692 PolarHBondContact O-N 3.24Å; I2688-I2692 VanDerWaalsContact O-N 3.1Å
2689L86.7Confident86.7Confident8.66667 Ų8.6666747.5 Ų47.55%0.04525%0.252CS..Hα-helixtrans-62.9-48.8-177.8-178.871.1000112.4F2621 W2684 L2685 H2691 I2692 T2693 P2703F2621-L2689 HydrophobicContact CD1-CD1 3.98Å; F2621-L2689 HydrophobicContact CD1-CD2 4.04Å; F2621-L2689 HydrophobicContact CE1-CD2 4.14Å; W2684-L2689 WeakPolarHBondContact O-CB 3.37Å; W2684-L2689 PolarHBondContact O-N 3.26Å; L2685-L2689 HydrophobicContact CD1-CD2 3.82Å; L2685-L2689 HydrophobicContact CD2-CD2 4Å; L2685-L2689 HydrophobicContact CG-CD2 4.48Å; L2689-H2691 VanDerWaalsContact C-N 3.31Å; L2689-H2691 PolarHBondContact O-N 3.16Å; L2689-I2692 PolarHBondContact O-N 3.14Å; L2689-I2692 VanDerWaalsContact O-N 3.17Å; L2689-T2693 HydrophobicContact CD1-CG2 3.68Å; L2689-T2693 HydrophobicContact CG-CG2 4.21Å; L2689-T2693 WeakPolarHBondContact O-CB 3.39Å; L2689-T2693 WeakPolarHBondContact O-CG2 3.4Å; L2689-T2693 PolarHBondContact O-N 3.12Å; L2689-T2693 PolarHBondContact O-OG1 3.12Å; L2689-T2693 VanDerWaalsContact O-OG1 3.12Å; L2689-P2703 HydrophobicContact CD2-CB 4.39Å; L2689-P2703 HydrophobicContact CD2-CG 4.45Å
2690P85.3Confident86.3Confident9 Ų944 Ų446%0.05823%0.233CC..Hα-helixtrans-68-30178.2-21.336.2000113P2451 L2685 F2686 I2692 R2694 S2695P2451-P2690 HydrophobicContact CB-CB 3.77Å; P2451-P2690 HydrophobicContact CG-CB 4.09Å; P2451-P2690 VanDerWaalsContact CG-O 3.23Å; P2451-P2690 WeakPolarHBondContact CG-O 3.38Å; L2685-P2690 WeakPolarHBondContact O-CD 3.26Å; F2686-P2690 WeakPolarHBondContact O-CG 3.48Å; P2690-I2692 VanDerWaalsContact C-N 3.31Å; P2690-I2692 PolarHBondContact O-N 2.87Å; P2690-R2694 WeakPolarHBondContact O-CA 3.45Å; P2690-R2694 PolarHBondContact O-N 3.09Å; P2690-R2694 VanDerWaalsContact O-N 3.1Å; P2690-S2695 WeakPolarHBondContact CB-O 3.41Å
2691H85.5Confident86Confident103.333 Ų103.33346.7 Ų46.748%0.47825%0.248SC..Hα-helixtrans-62.1-41.3173.5179.975.7000112.2L2452 F2687 I2688 L2689 R2694L2452-H2691 HydrophobicContact CD1-CB 4Å; L2452-H2691 VanDerWaalsContact CD1-ND1 3.34Å; L2452-H2691 WeakPolarHBondContact CD1-ND1 3.38Å; F2687-H2691 VanDerWaalsContact O-CB 3.28Å; F2687-H2691 WeakPolarHBondContact O-CB 3.35Å; F2687-H2691 PolarHBondContact O-N 3.12Å; I2688-H2691 WeakPolarHBondContact O-CB 3.44Å; I2688-H2691 PolarHBondContact O-N 3.02Å; L2689-H2691 VanDerWaalsContact C-N 3.31Å; L2689-H2691 PolarHBondContact O-N 3.16Å; H2691-R2694 PolarHBondContact O-NE 3.01Å
2692I86Confident85.9Confident56 Ų5646.9 Ų46.929%0.28725%0.251SS..Hα-helixtrans-80.9-46.6-177.7-65.6171.2000112.2P2643 I2688 L2689 P2690 R2694P2643-I2692 HydrophobicContact CB-CD1 4.25Å; P2643-I2692 HydrophobicContact CB-CG2 4.12Å; P2643-I2692 HydrophobicContact CG-CD1 4.25Å; P2643-I2692 HydrophobicContact CG-CG2 3.56Å; P2643-I2692 VanDerWaalsContact CG-CG2 3.46Å; I2688-I2692 HydrophobicContact CG2-CD1 3.67Å; I2688-I2692 HydrophobicContact CG2-CG1 4.46Å; I2688-I2692 WeakPolarHBondContact O-CG1 3.33Å; I2688-I2692 PolarHBondContact O-N 3.24Å; I2688-I2692 VanDerWaalsContact O-N 3.1Å; L2689-I2692 PolarHBondContact O-N 3.14Å; L2689-I2692 VanDerWaalsContact O-N 3.17Å; P2690-I2692 VanDerWaalsContact C-N 3.31Å; P2690-I2692 PolarHBondContact O-N 2.87Å; I2692-R2694 VanDerWaalsContact C-N 3.31Å; I2692-R2694 PolarHBondContact O-N 3.49Å
2693T83Confident85.8Confident14 Ų1446.9 Ų46.99%0.08625%0.251CS..Hα-helixtrans-78.3-16.2-175.759.70000113.2L2689 S2695L2689-T2693 HydrophobicContact CD1-CG2 3.68Å; L2689-T2693 HydrophobicContact CG-CG2 4.21Å; L2689-T2693 WeakPolarHBondContact O-CB 3.39Å; L2689-T2693 WeakPolarHBondContact O-CG2 3.4Å; L2689-T2693 PolarHBondContact O-N 3.12Å; L2689-T2693 PolarHBondContact O-OG1 3.12Å; L2689-T2693 VanDerWaalsContact O-OG1 3.12Å; T2693-S2695 WeakPolarHBondContact CB-OG 3.33Å; T2693-S2695 PolarHBondContact O-N 3.22Å; T2693-S2695 VanDerWaalsContact O-N 3.11Å; T2693-S2695 PolarHBondContact OG1-N 3.32Å; T2693-S2695 PolarHBondContact OG1-O 3.38Å; T2693-S2695 PolarHBondContact OG1-OG 3.23Å
2694R82.8Confident85.8Confident142.667 Ų142.66747.9 Ų47.954%0.53825%0.249SC..  trans55.417.6-170.6-64-70.6179140.6-0.6114E2450 P2451 P2690 H2691 I2692E2450-R2694 IonicContact OE1-CZ 3.78Å; E2450-R2694 IonicContact OE1-NH1 2.87Å; E2450-R2694 PolarHBondContact OE1-NH1 3.19Å; E2450-R2694 IonicContact OE2-NH1 3.05Å; P2451-R2694 WeakPolarHBondContact CD-O 3.41Å; P2690-R2694 WeakPolarHBondContact O-CA 3.45Å; P2690-R2694 PolarHBondContact O-N 3.09Å; P2690-R2694 VanDerWaalsContact O-N 3.1Å; H2691-R2694 PolarHBondContact O-NE 3.01Å; I2692-R2694 VanDerWaalsContact C-N 3.31Å; I2692-R2694 PolarHBondContact O-N 3.49Å
2695S79.7Confident85.9Confident39.3333 Ų39.333348.9 Ų48.928%0.27526%0.258SS..SBendtrans-115.1144.1178.21720000110.5P2690 T2693 S2699P2690-S2695 WeakPolarHBondContact CB-O 3.41Å; T2693-S2695 WeakPolarHBondContact CB-OG 3.33Å; T2693-S2695 PolarHBondContact O-N 3.22Å; T2693-S2695 VanDerWaalsContact O-N 3.11Å; T2693-S2695 PolarHBondContact OG1-N 3.32Å; T2693-S2695 PolarHBondContact OG1-O 3.38Å; T2693-S2695 PolarHBondContact OG1-OG 3.23Å; S2695-S2699 WeakPolarHBondContact CB-OG 3.32Å; S2695-S2699 VanDerWaalsContact OG-CB 3.3Å; S2695-S2699 WeakPolarHBondContact OG-CB 3.45Å; S2695-S2699 PolarHBondContact OG-OG 3.16Å
2696P80.2Confident86.2Confident38.6667 Ų38.666749 Ų4925%0.25126%0.259SS..  trans-67.7147.3171.829.5-34.1000110.3T2698 S2699P2696-T2698 PolarHBondContact O-N 3.1Å; P2696-S2699 VanDerWaalsContact O-CB 3.32Å; P2696-S2699 WeakPolarHBondContact O-CB 3.36Å; P2696-S2699 PolarHBondContact O-N 3.03Å; P2696-S2699 PolarHBondContact O-OG 3.16Å
2697F83.7Confident86.4Confident11 Ų1148 Ų485%0.04825%0.254CS..G310 helixtrans-51.8-29179174-95.8000113.9M2384 A2387 L2685 F2686 S2699 P2703 Q2704 Y2707M2384-F2697 HydrophobicContact CG-CE1 4.13Å; M2384-F2697 WeakPolarHBondContact O-CE1 3.14Å; A2387-F2697 HydrophobicContact CB-CB 4.18Å; A2387-F2697 HydrophobicContact CB-CD1 3.98Å; A2387-F2697 HydrophobicContact CB-CG 4.45Å; L2685-F2697 HydrophobicContact CB-CE2 4.37Å; L2685-F2697 HydrophobicContact CD2-CD2 4.41Å; L2685-F2697 HydrophobicContact CD2-CE2 3.53Å; L2685-F2697 HydrophobicContact CD2-CZ 4.19Å; L2685-F2697 HydrophobicContact CG-CD2 4.09Å; L2685-F2697 HydrophobicContact CG-CE2 3.68Å; F2686-F2697 HydrophobicContact CD1-CD2 4.45Å; F2686-F2697 HydrophobicContact CD1-CG 4.38Å; F2686-F2697 AromaticContact CE1-CD1 3.93Å; F2686-F2697 HydrophobicContact CE1-CD1 3.98Å; F2686-F2697 HydrophobicContact CE1-CD2 4.22Å; F2686-F2697 AromaticContact CE1-CE1 3.94Å; F2686-F2697 HydrophobicContact CE1-CE1 4.05Å; F2686-F2697 HydrophobicContact CE1-CE2 4.29Å; F2686-F2697 HydrophobicContact CE1-CG 4.07Å; F2686-F2697 HydrophobicContact CE1-CZ 4.2Å; F2686-F2697 HydrophobicContact CZ-CE1 4.48Å; F2686-F2697 HydrophobicContact CZ-CZ 4.39Å; F2697-S2699 VanDerWaalsContact C-N 3.32Å; F2697-S2699 PolarHBondContact O-N 3.48Å; F2697-P2703 HydrophobicContact CD2-CB 3.7Å; F2697-P2703 VanDerWaalsContact CE2-C 3.5Å; F2697-P2703 HydrophobicContact CE2-CB 3.5Å; F2697-P2703 VanDerWaalsContact CE2-CB 3.46Å; F2697-P2703 WeakPolarHBondContact CE2-O 3.22Å; F2697-P2703 HydrophobicContact CZ-CB 4.28Å; F2697-P2703 WeakPolarHBondContact CZ-O 3.36Å; F2697-Q2704 HydrophobicContact CD1-CG 4.43Å; F2697-Q2704 HydrophobicContact CE1-CG 3.87Å; F2697-Q2704 HydrophobicContact CZ-CG 4.24Å; F2697-Y2707 HydrophobicContact CZ-CG 4.27Å
2698T82.2Confident86.7Confident66.3333 Ų66.333346.5 Ų46.541%0.40725%0.25SC..G310 helixtrans-78.2-10.5-178.952.20000114.8H2385 A2387 P2696 G2700 Q2704H2385-T2698 WeakPolarHBondContact O-CG2 3.27Å; A2387-T2698 HydrophobicContact CB-CG2 4.37Å; P2696-T2698 PolarHBondContact O-N 3.1Å; T2698-G2700 VanDerWaalsContact C-N 3.3Å; T2698-G2700 PolarHBondContact O-N 3.29Å; T2698-Q2704 PolarHBondContact O-NE2 2.96Å; T2698-Q2704 VanDerWaalsContact O-NE2 3.1Å
2699S81Confident87.1Confident78.6667 Ų78.666744.5 Ų44.555%0.5524%0.24SC*.G310 helixtrans-69.7-23.4-176.662.60000114.4S2695 P2696 F2697S2695-S2699 WeakPolarHBondContact CB-OG 3.32Å; S2695-S2699 VanDerWaalsContact OG-CB 3.3Å; S2695-S2699 WeakPolarHBondContact OG-CB 3.45Å; S2695-S2699 PolarHBondContact OG-OG 3.16Å; P2696-S2699 VanDerWaalsContact O-CB 3.32Å; P2696-S2699 WeakPolarHBondContact O-CB 3.36Å; P2696-S2699 PolarHBondContact O-N 3.03Å; P2696-S2699 PolarHBondContact O-OG 3.16Å; F2697-S2699 VanDerWaalsContact C-N 3.32Å; F2697-S2699 PolarHBondContact O-N 3.48Å
2700G82.7Confident87.5Confident12.3333 Ų12.333344.2 Ų44.213%0.12724%0.238CC..  trans-128.6148.3-177.300000113T2698 Q2704T2698-G2700 VanDerWaalsContact C-N 3.3Å; T2698-G2700 PolarHBondContact O-N 3.29Å; G2700-Q2704 WeakPolarHBondContact O-CG 3.34Å; G2700-Q2704 PolarHBondContact O-NE2 3.22Å; G2700-Q2704 VanDerWaalsContact O-NE2 3.1Å
2701L88.6Confident87.9Confident124 Ų12443.9 Ų43.965%0.64924%0.236SC*.Hα-helixtrans-75.7-28176.8-148149.2000112.6Q2704 L2705L2701-Q2704 PolarHBondContact O-N 3.32Å; L2701-L2705 HydrophobicContact CB-CD1 4.48Å; L2701-L2705 HydrophobicContact CD2-CD1 3.42Å; L2701-L2705 VanDerWaalsContact CD2-CD1 3.49Å; L2701-L2705 HydrophobicContact CD2-CG 3.79Å; L2701-L2705 HydrophobicContact CG-CD1 4.36Å; L2701-L2705 HydrophobicContact CG-CG 4.21Å; L2701-L2705 WeakPolarHBondContact O-CB 3.35Å; L2701-L2705 VanDerWaalsContact O-CG 3.32Å; L2701-L2705 WeakPolarHBondContact O-CG 3.37Å; L2701-L2705 PolarHBondContact O-N 3.08Å
2702A90Very high88.4Confident15.6667 Ų15.666742.1 Ų42.113%0.12923%0.232CC..Hα-helixtrans-65.6-45.9-17700000113.9I2613 F2621 Q2704 L2705 L2706I2613-A2702 HydrophobicContact CG2-CB 4.36Å; I2613-A2702 WeakPolarHBondContact CG2-O 3.24Å; F2621-A2702 HydrophobicContact CE2-CB 4.18Å; F2621-A2702 HydrophobicContact CZ-CB 4.37Å; A2702-Q2704 VanDerWaalsContact C-N 3.32Å; A2702-Q2704 PolarHBondContact O-N 3.3Å; A2702-L2705 PolarHBondContact O-N 3.18Å; A2702-L2706 VanDerWaalsContact O-CB 3.29Å; A2702-L2706 WeakPolarHBondContact O-CB 3.35Å; A2702-L2706 PolarHBondContact O-N 3.09Å
2703P90Very high88.9Confident5 Ų539.5 Ų39.53%0.03222%0.219CC..Hα-helixtrans-61.4-38173.1-24.435.5000113F2621 L2689 F2697 L2706 Y2707F2621-P2703 HydrophobicContact CE1-CB 4.3Å; F2621-P2703 HydrophobicContact CE1-CG 4Å; F2621-P2703 HydrophobicContact CZ-CG 4.26Å; L2689-P2703 HydrophobicContact CD2-CB 4.39Å; L2689-P2703 HydrophobicContact CD2-CG 4.45Å; F2697-P2703 HydrophobicContact CD2-CB 3.7Å; F2697-P2703 VanDerWaalsContact CE2-C 3.5Å; F2697-P2703 HydrophobicContact CE2-CB 3.5Å; F2697-P2703 VanDerWaalsContact CE2-CB 3.46Å; F2697-P2703 WeakPolarHBondContact CE2-O 3.22Å; F2697-P2703 HydrophobicContact CZ-CB 4.28Å; F2697-P2703 WeakPolarHBondContact CZ-O 3.36Å; P2703-L2706 PolarHBondContact O-N 3.17Å; P2703-Y2707 WeakPolarHBondContact O-CB 3.34Å; P2703-Y2707 PolarHBondContact O-N 3.33Å
2704Q92Very high89.5Confident47.3333 Ų47.333338.8 Ų38.822%0.22122%0.215CC..Hα-helixtrans-64.6-49.6178.1-63.4176.231.900111.9M2384 F2697 T2698 G2700 L2701 A2702 L2706 Y2707 L2708M2384-Q2704 HydrophobicContact CG-CB 4.26Å; M2384-Q2704 HydrophobicContact CG-CG 4.41Å; M2384-Q2704 HydrophobicContact SD-CB 4.13Å; F2697-Q2704 HydrophobicContact CD1-CG 4.43Å; F2697-Q2704 HydrophobicContact CE1-CG 3.87Å; F2697-Q2704 HydrophobicContact CZ-CG 4.24Å; T2698-Q2704 PolarHBondContact O-NE2 2.96Å; T2698-Q2704 VanDerWaalsContact O-NE2 3.1Å; G2700-Q2704 WeakPolarHBondContact O-CG 3.34Å; G2700-Q2704 PolarHBondContact O-NE2 3.22Å; G2700-Q2704 VanDerWaalsContact O-NE2 3.1Å; L2701-Q2704 PolarHBondContact O-N 3.32Å; A2702-Q2704 VanDerWaalsContact C-N 3.32Å; A2702-Q2704 PolarHBondContact O-N 3.3Å; Q2704-L2706 VanDerWaalsContact C-N 3.33Å; Q2704-L2706 PolarHBondContact O-N 3Å; Q2704-Y2707 PolarHBondContact O-N 3.22Å; Q2704-L2708 WeakPolarHBondContact O-CB 3.29Å; Q2704-L2708 PolarHBondContact O-N 3.23Å
2705L92.8Very high90Very high75.6667 Ų75.666733.4 Ų33.440%0.39620%0.198SC..Hα-helixtrans-62.5-40.1176.3-72-177.9000112I2613 L2701 A2702 L2708 I2709I2613-L2705 HydrophobicContact CD1-CB 4.1Å; I2613-L2705 HydrophobicContact CG2-CB 4.49Å; L2701-L2705 HydrophobicContact CB-CD1 4.48Å; L2701-L2705 HydrophobicContact CD2-CD1 3.42Å; L2701-L2705 VanDerWaalsContact CD2-CD1 3.49Å; L2701-L2705 HydrophobicContact CD2-CG 3.79Å; L2701-L2705 HydrophobicContact CG-CD1 4.36Å; L2701-L2705 HydrophobicContact CG-CG 4.21Å; L2701-L2705 WeakPolarHBondContact O-CB 3.35Å; L2701-L2705 VanDerWaalsContact O-CG 3.32Å; L2701-L2705 WeakPolarHBondContact O-CG 3.37Å; L2701-L2705 PolarHBondContact O-N 3.08Å; A2702-L2705 PolarHBondContact O-N 3.18Å; L2705-L2708 PolarHBondContact O-N 3.16Å; L2705-I2709 WeakPolarHBondContact O-CB 3.37Å; L2705-I2709 WeakPolarHBondContact O-CG1 3.42Å; L2705-I2709 PolarHBondContact O-N 3.17Å
2706L93.5Very high90.7Very high2 Ų233.5 Ų33.51%0.0120%0.196CC..Hα-helixtrans-62.1-44.9176.4-174.8148.1000111.3I2613 M2614 F2621 M2647 L2685 A2702 P2703 Q2704 I2709 K2710I2613-L2706 HydrophobicContact CG2-CB 4.11Å; M2614-L2706 HydrophobicContact CE-CD1 4.4Å; M2614-L2706 HydrophobicContact CG-CD1 3.39Å; M2614-L2706 VanDerWaalsContact CG-CD1 3.42Å; M2614-L2706 HydrophobicContact SD-CD1 3.99Å; F2621-L2706 HydrophobicContact CE1-CD1 4.25Å; F2621-L2706 HydrophobicContact CE2-CD1 4.41Å; F2621-L2706 HydrophobicContact CZ-CB 4.46Å; F2621-L2706 HydrophobicContact CZ-CD1 3.87Å; M2647-L2706 HydrophobicContact CE-CD1 3.59Å; M2647-L2706 VanDerWaalsContact CE-CD1 3.42Å; M2647-L2706 HydrophobicContact CE-CD2 4.11Å; M2647-L2706 HydrophobicContact CE-CG 4.44Å; L2685-L2706 HydrophobicContact CD1-CD2 3.87Å; L2685-L2706 HydrophobicContact CD2-CD2 4.08Å; L2685-L2706 HydrophobicContact CG-CD2 4.48Å; A2702-L2706 VanDerWaalsContact O-CB 3.29Å; A2702-L2706 WeakPolarHBondContact O-CB 3.35Å; A2702-L2706 PolarHBondContact O-N 3.09Å; P2703-L2706 PolarHBondContact O-N 3.17Å; Q2704-L2706 VanDerWaalsContact C-N 3.33Å; Q2704-L2706 PolarHBondContact O-N 3Å; L2706-I2709 PolarHBondContact O-N 3.05Å; L2706-K2710 HydrophobicContact CD2-CG 4.19Å; L2706-K2710 WeakPolarHBondContact O-CB 3.39Å; L2706-K2710 VanDerWaalsContact O-CG 3.3Å; L2706-K2710 WeakPolarHBondContact O-CG 3.3Å; L2706-K2710 PolarHBondContact O-N 3.15Å
2707Y94.3Very high91.3Very high0 Ų031.6 Ų31.60%018%0.184CC..Hα-helixtrans-61.2-48.4175.7-177.6-110.2000111.7I2380 H2383 M2384 P2395 H2682 L2685 F2686 F2697 P2703 Q2704 I2709 K2710 C2711I2380-Y2707 HydrophobicContact CG2-CE1 3.91Å; H2383-Y2707 AromaticContact CD2-CZ 3.81Å; H2383-Y2707 PolarHBondContact CD2-OH 3.4Å; M2384-Y2707 HydrophobicContact CB-CD1 4.03Å; M2384-Y2707 HydrophobicContact CB-CE1 4.29Å; M2384-Y2707 HydrophobicContact CG-CD1 4.13Å; P2395-Y2707 VanDerWaalsContact CB-OH 3.24Å; P2395-Y2707 WeakPolarHBondContact CB-OH 3.33Å; P2395-Y2707 WeakPolarHBondContact CG-OH 3.37Å; H2682-Y2707 AromaticContact CD2-CE2 3.89Å; H2682-Y2707 AromaticContact NE2-CE2 3.57Å; H2682-Y2707 WeakPolarHBondContact NE2-CE2 3.41Å; H2682-Y2707 AromaticContact NE2-CZ 3.73Å; H2682-Y2707 PolarHBondContact NE2-OH 2.95Å; L2685-Y2707 HydrophobicContact CD1-CD2 3.91Å; L2685-Y2707 HydrophobicContact CD1-CG 4.47Å; L2685-Y2707 HydrophobicContact CD2-CD2 3.78Å; L2685-Y2707 HydrophobicContact CD2-CG 4.13Å; F2686-Y2707 AromaticContact CE2-CD2 3.98Å; F2686-Y2707 HydrophobicContact CE2-CD2 4Å; F2686-Y2707 AromaticContact CE2-CE2 3.68Å; F2686-Y2707 HydrophobicContact CE2-CE2 3.68Å; F2686-Y2707 HydrophobicContact CZ-CD1 4.4Å; F2686-Y2707 AromaticContact CZ-CD2 3.91Å; F2686-Y2707 HydrophobicContact CZ-CD2 3.91Å; F2686-Y2707 HydrophobicContact CZ-CE1 4.32Å; F2686-Y2707 AromaticContact CZ-CE2 3.84Å; F2686-Y2707 HydrophobicContact CZ-CE2 3.84Å; F2686-Y2707 HydrophobicContact CZ-CG 4.22Å; F2697-Y2707 HydrophobicContact CZ-CG 4.27Å; P2703-Y2707 WeakPolarHBondContact O-CB 3.34Å; P2703-Y2707 PolarHBondContact O-N 3.33Å; Q2704-Y2707 PolarHBondContact O-N 3.22Å; Y2707-I2709 VanDerWaalsContact C-N 3.33Å; Y2707-I2709 PolarHBondContact O-N 3.11Å; Y2707-K2710 PolarHBondContact O-N 3.44Å; Y2707-C2711 WeakPolarHBondContact O-CB 3.48Å; Y2707-C2711 PolarHBondContact O-N 3.11Å; Y2707-C2711 PolarHBondContact O-SG 3.49Å; Y2707-C2711 VanDerWaalsContact O-SG 3.34Å; Y2707-C2711 PolarHBondContact OH-SG 3.12Å
2708L93.6Very high91.8Very high56 Ų5631.1 Ų31.129%0.29318%0.181SC..Hα-helixtrans-56.7-47178.5-174.1142.4000111.7F2377 M2384 Q2704 L2705 C2711 V2712F2377-L2708 HydrophobicContact CE2-CD1 4.4Å; M2384-L2708 HydrophobicContact SD-CB 4.29Å; M2384-L2708 HydrophobicContact SD-CD1 4.3Å; Q2704-L2708 WeakPolarHBondContact O-CB 3.29Å; Q2704-L2708 PolarHBondContact O-N 3.23Å; L2705-L2708 PolarHBondContact O-N 3.16Å; L2708-C2711 WeakPolarHBondContact O-CB 3.4Å; L2708-C2711 PolarHBondContact O-N 3.14Å; L2708-V2712 HydrophobicContact CD2-CG2 4.37Å; L2708-V2712 WeakPolarHBondContact O-CG2 3.34Å; L2708-V2712 PolarHBondContact O-N 3.21Å
2709I95.3Very high92.2Very high29 Ų2931.1 Ų31.115%0.14917%0.174CC..Hα-helixtrans-70.5-35.7-179.8-72.3161.3000111.7C2606 I2609 A2610 I2613 L2705 L2706 Y2707 C2711 V2712 Y2713C2606-I2709 HydrophobicContact CB-CG2 3.98Å; C2606-I2709 VanDerWaalsContact O-CG2 3.28Å; C2606-I2709 WeakPolarHBondContact O-CG2 3.41Å; I2609-I2709 HydrophobicContact CG2-CD1 3.73Å; A2610-I2709 HydrophobicContact CB-CG2 4.33Å; I2613-I2709 HydrophobicContact CD1-CD1 3.27Å; L2705-I2709 WeakPolarHBondContact O-CB 3.37Å; L2705-I2709 WeakPolarHBondContact O-CG1 3.42Å; L2705-I2709 PolarHBondContact O-N 3.17Å; L2706-I2709 PolarHBondContact O-N 3.05Å; Y2707-I2709 VanDerWaalsContact C-N 3.33Å; Y2707-I2709 PolarHBondContact O-N 3.11Å; I2709-C2711 VanDerWaalsContact C-N 3.35Å; I2709-V2712 PolarHBondContact O-N 3.01Å; I2709-Y2713 WeakPolarHBondContact O-CB 3.28Å; I2709-Y2713 PolarHBondContact O-N 3.25Å
2710K94.8Very high92.8Very high2.66667 Ų2.6666727.4 Ų27.41%0.01215%0.148CC..Hα-helixtrans-63.9-39171.2-79.1-70.9-176.5175.90111.9E2607 Q2651 H2677 I2681 L2706 Y2707 Y2713 F2714E2607-K2710 VanDerWaalsContact CD-NZ 3.3Å; E2607-K2710 WeakPolarHBondContact OE1-CD 3.46Å; E2607-K2710 WeakPolarHBondContact OE1-CE 3.34Å; E2607-K2710 IonicContact OE1-NZ 3.68Å; E2607-K2710 PolarHBondContact OE1-NZ 3.15Å; E2607-K2710 IonicContact OE2-NZ 3.71Å; E2607-K2710 PolarHBondContact OE2-NZ 3.21Å; Q2651-K2710 VanDerWaalsContact OE1-CE 3.28Å; H2677-K2710 PolarHBondContact CE1-NZ 2.85Å; H2677-K2710 PolarHBondContact NE2-NZ 3.25Å; I2681-K2710 HydrophobicContact CD1-CD 4.5Å; I2681-K2710 HydrophobicContact CG2-CB 4.43Å; I2681-K2710 HydrophobicContact CG2-CG 4.44Å; L2706-K2710 HydrophobicContact CD2-CG 4.19Å; L2706-K2710 WeakPolarHBondContact O-CB 3.39Å; L2706-K2710 VanDerWaalsContact O-CG 3.3Å; L2706-K2710 WeakPolarHBondContact O-CG 3.3Å; L2706-K2710 PolarHBondContact O-N 3.15Å; Y2707-K2710 PolarHBondContact O-N 3.44Å; K2710-Y2713 HydrophobicContact CD-CD1 4.44Å; K2710-Y2713 WeakPolarHBondContact O-CB 3.36Å; K2710-Y2713 PolarHBondContact O-N 3.1Å; K2710-F2714 HydrophobicContact CB-CD2 4.49Å; K2710-F2714 HydrophobicContact CB-CE2 4.12Å; K2710-F2714 WeakPolarHBondContact O-CB 3.14Å; K2710-F2714 WeakPolarHBondContact O-CD2 3.43Å; K2710-F2714 VanDerWaalsContact O-CG 3.24Å; K2710-F2714 WeakPolarHBondContact O-CG 3.22Å; K2710-F2714 PolarHBondContact O-N 2.95Å
2711C94.8Very high93.2Very high3 Ų327 Ų272%0.0214%0.143CC..Hα-helixtrans-63.9-39.4172.9-760000113I2380 Y2707 L2708 I2709 F2714 S2715I2380-C2711 HydrophobicContact CD1-CB 4.15Å; I2380-C2711 HydrophobicContact CG2-CB 3.78Å; I2380-C2711 VanDerWaalsContact CG2-SG 3.56Å; Y2707-C2711 WeakPolarHBondContact O-CB 3.48Å; Y2707-C2711 PolarHBondContact O-N 3.11Å; Y2707-C2711 PolarHBondContact O-SG 3.49Å; Y2707-C2711 VanDerWaalsContact O-SG 3.34Å; Y2707-C2711 PolarHBondContact OH-SG 3.12Å; L2708-C2711 WeakPolarHBondContact O-CB 3.4Å; L2708-C2711 PolarHBondContact O-N 3.14Å; I2709-C2711 VanDerWaalsContact C-N 3.35Å; C2711-F2714 PolarHBondContact O-N 3.17Å; C2711-S2715 WeakPolarHBondContact O-CB 3.22Å; C2711-S2715 PolarHBondContact O-N 2.93Å; C2711-S2715 PolarHBondContact O-OG 3.2Å; C2711-S2715 VanDerWaalsContact O-OG 3.08Å
2712V95Very high93.3Very high65.6667 Ų65.666722.6 Ų22.640%0.39812%0.118SC..Hα-helixtrans-62.9-46.4171.6174.60000110.8L2708 I2709 F2714 S2715 L2716L2708-V2712 HydrophobicContact CD2-CG2 4.37Å; L2708-V2712 WeakPolarHBondContact O-CG2 3.34Å; L2708-V2712 PolarHBondContact O-N 3.21Å; I2709-V2712 PolarHBondContact O-N 3.01Å; V2712-F2714 VanDerWaalsContact C-N 3.34Å; V2712-F2714 PolarHBondContact O-N 3.04Å; V2712-S2715 WeakPolarHBondContact O-CB 3.35Å; V2712-S2715 PolarHBondContact O-N 3.05Å; V2712-S2715 VanDerWaalsContact O-N 3.16Å; V2712-L2716 HydrophobicContact CG1-CD1 4.02Å; V2712-L2716 HydrophobicContact CG1-CG 4.4Å; V2712-L2716 WeakPolarHBondContact O-CG 3.38Å; V2712-L2716 PolarHBondContact O-N 3.07Å
2713Y96.3Very high93.2Very high0.666667 Ų0.66666722.2 Ų22.20%0.00311%0.114CC..Hα-helixtrans-56.1-47.6173.8164.5-92.8000111.9M2603 C2606 E2607 D2658 K2670 F2673 H2677 I2709 K2710 S2715 L2716 S2717M2603-Y2713 HydrophobicContact CB-CD2 3.99Å; M2603-Y2713 HydrophobicContact CB-CE2 4.04Å; M2603-Y2713 HydrophobicContact CE-CD2 4.44Å; M2603-Y2713 HydrophobicContact CE-CE2 3.87Å; M2603-Y2713 HydrophobicContact CG-CD2 4.42Å; C2606-Y2713 HydrophobicContact CB-CD2 4.46Å; E2607-Y2713 HydrophobicContact CG-CD2 3.64Å; E2607-Y2713 HydrophobicContact CG-CE2 3.69Å; E2607-Y2713 HydrophobicContact CG-CG 4.35Å; E2607-Y2713 WeakPolarHBondContact OE1-CD2 3.35Å; D2658-Y2713 VanDerWaalsContact CG-OH 3.3Å; D2658-Y2713 VanDerWaalsContact OD2-CE2 3.31Å; D2658-Y2713 WeakPolarHBondContact OD2-CE2 3.35Å; D2658-Y2713 PolarHBondContact OD2-OH 2.92Å; K2670-Y2713 PolarHBondContact NZ-OH 3.08Å; F2673-Y2713 WeakPolarHBondContact CE1-OH 3.32Å; H2677-Y2713 AromaticContact CE1-CE1 3.66Å; H2677-Y2713 AromaticContact ND1-CE1 3.72Å; I2709-Y2713 WeakPolarHBondContact O-CB 3.28Å; I2709-Y2713 PolarHBondContact O-N 3.25Å; K2710-Y2713 HydrophobicContact CD-CD1 4.44Å; K2710-Y2713 WeakPolarHBondContact O-CB 3.36Å; K2710-Y2713 PolarHBondContact O-N 3.1Å; Y2713-S2715 VanDerWaalsContact C-N 3.3Å; Y2713-S2715 PolarHBondContact O-N 3.26Å; Y2713-L2716 PolarHBondContact O-N 2.91Å; Y2713-S2717 WeakPolarHBondContact O-CB 3.34Å; Y2713-S2717 PolarHBondContact O-N 3.43Å
2714F95.8Very high93Very high0 Ų022.1 Ų22.10%011%0.114CC..Hα-helixtrans-63.5-35177.9-66.9-45.5000112.4L2399 Q2674 H2677 V2678 I2681 K2710 C2711 V2712 A2718L2399-F2714 HydrophobicContact CD1-CB 3.89Å; L2399-F2714 HydrophobicContact CD1-CD2 3.84Å; L2399-F2714 HydrophobicContact CD1-CG 4.21Å; L2399-F2714 HydrophobicContact CD2-CB 3.74Å; L2399-F2714 HydrophobicContact CG-CB 4.35Å; Q2674-F2714 PolarHBondContact NE2-O 3.2Å; H2677-F2714 HydrophobicContact CB-CE1 3.92Å; H2677-F2714 HydrophobicContact CB-CZ 4.47Å; H2677-F2714 AromaticContact CD2-CE1 3.72Å; H2677-F2714 AromaticContact CD2-CZ 3.7Å; H2677-F2714 AromaticContact CG-CE1 3.6Å; H2677-F2714 AromaticContact CG-CZ 3.96Å; H2677-F2714 AromaticContact ND1-CE1 3.77Å; H2677-F2714 WeakPolarHBondContact O-CZ 3.45Å; V2678-F2714 HydrophobicContact CB-CE1 4.49Å; V2678-F2714 HydrophobicContact CB-CZ 4.48Å; V2678-F2714 HydrophobicContact CG2-CB 4.29Å; V2678-F2714 HydrophobicContact CG2-CD1 3.54Å; V2678-F2714 HydrophobicContact CG2-CD2 3.94Å; V2678-F2714 HydrophobicContact CG2-CE1 3.72Å; V2678-F2714 HydrophobicContact CG2-CE2 4.11Å; V2678-F2714 HydrophobicContact CG2-CG 3.67Å; V2678-F2714 HydrophobicContact CG2-CZ 4.01Å; I2681-F2714 HydrophobicContact CB-CE2 4.25Å; I2681-F2714 HydrophobicContact CB-CZ 4.09Å; I2681-F2714 HydrophobicContact CG1-CE2 4.5Å; I2681-F2714 HydrophobicContact CG1-CZ 4Å; I2681-F2714 HydrophobicContact CG2-CE2 4.24Å; I2681-F2714 HydrophobicContact CG2-CZ 4.38Å; K2710-F2714 HydrophobicContact CB-CD2 4.49Å; K2710-F2714 HydrophobicContact CB-CE2 4.12Å; K2710-F2714 WeakPolarHBondContact O-CB 3.14Å; K2710-F2714 WeakPolarHBondContact O-CD2 3.43Å; K2710-F2714 VanDerWaalsContact O-CG 3.24Å; K2710-F2714 WeakPolarHBondContact O-CG 3.22Å; K2710-F2714 PolarHBondContact O-N 2.95Å; C2711-F2714 PolarHBondContact O-N 3.17Å; V2712-F2714 VanDerWaalsContact C-N 3.34Å; V2712-F2714 PolarHBondContact O-N 3.04Å; F2714-A2718 VanDerWaalsContact O-CB 3.28Å; F2714-A2718 WeakPolarHBondContact O-CB 3.43Å; F2714-A2718 PolarHBondContact O-N 3.16Å
2715S93.4Very high92.9Very high27.6667 Ų27.666720.9 Ų20.919%0.19311%0.108CC..Hα-helixtrans-67.7-44.2175.8-62.10000112M2403 C2711 V2712 Y2713 A2718 Y2719M2403-S2715 VanDerWaalsContact CE-O 3.29Å; M2403-S2715 WeakPolarHBondContact CE-O 3.35Å; C2711-S2715 WeakPolarHBondContact O-CB 3.22Å; C2711-S2715 PolarHBondContact O-N 2.93Å; C2711-S2715 PolarHBondContact O-OG 3.2Å; C2711-S2715 VanDerWaalsContact O-OG 3.08Å; V2712-S2715 WeakPolarHBondContact O-CB 3.35Å; V2712-S2715 PolarHBondContact O-N 3.05Å; V2712-S2715 VanDerWaalsContact O-N 3.16Å; Y2713-S2715 VanDerWaalsContact C-N 3.3Å; Y2713-S2715 PolarHBondContact O-N 3.26Å; S2715-A2718 PolarHBondContact O-N 3.39Å; S2715-Y2719 WeakPolarHBondContact O-CB 3.37Å; S2715-Y2719 PolarHBondContact O-N 3.11Å
2716L94Very high92.6Very high41.3333 Ų41.333318.7 Ų18.722%0.21610%0.098CC..Hα-helixtrans-66.2-40.6174.9-66170.9000111.5V2599 M2603 V2712 Y2713 Y2719 Q2720V2599-L2716 HydrophobicContact CG1-CB 4.16Å; V2599-L2716 HydrophobicContact CG1-CD2 3.74Å; V2599-L2716 HydrophobicContact CG1-CG 4.44Å; M2603-L2716 HydrophobicContact CG-CB 3.69Å; M2603-L2716 HydrophobicContact CG-CD1 4.44Å; M2603-L2716 HydrophobicContact SD-CB 4.44Å; V2712-L2716 HydrophobicContact CG1-CD1 4.02Å; V2712-L2716 HydrophobicContact CG1-CG 4.4Å; V2712-L2716 WeakPolarHBondContact O-CG 3.38Å; V2712-L2716 PolarHBondContact O-N 3.07Å; Y2713-L2716 PolarHBondContact O-N 2.91Å; L2716-Y2719 CarbonylContact O-C 3.57Å; L2716-Y2719 WeakPolarHBondContact O-CB 3.39Å; L2716-Y2719 PolarHBondContact O-N 3.28Å; L2716-Q2720 WeakPolarHBondContact O-CB 3.44Å; L2716-Q2720 PolarHBondContact O-N 3.07Å
2717S94.6Very high92Very high0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-61.3-46.8175.1179.80000111.8K2670 Q2674 Y2713 Y2719 Q2720 I2721K2670-S2717 WeakPolarHBondContact CE-OG 3.48Å; Q2674-S2717 PolarHBondContact OE1-OG 3.39Å; Y2713-S2717 WeakPolarHBondContact O-CB 3.34Å; Y2713-S2717 PolarHBondContact O-N 3.43Å; S2717-Y2719 VanDerWaalsContact C-N 3.33Å; S2717-Y2719 PolarHBondContact O-N 3.19Å; S2717-Q2720 WeakPolarHBondContact O-CB 3.42Å; S2717-Q2720 PolarHBondContact O-N 3.42Å; S2717-Q2720 VanDerWaalsContact O-N 3.16Å; S2717-I2721 WeakPolarHBondContact O-CD1 3.49Å; S2717-I2721 VanDerWaalsContact O-CG1 3.29Å; S2717-I2721 WeakPolarHBondContact O-CG1 3.48Å; S2717-I2721 PolarHBondContact O-N 3.2Å
2718A92.9Very high91.4Very high0 Ų037.3 Ų37.30%017%0.168CC..Hα-helixtrans-61.4-40.2174.100000112.2M2403 L2404 F2714 S2715 I2721 R2722M2403-A2718 HydrophobicContact CB-CB 3.81Å; M2403-A2718 WeakPolarHBondContact O-CB 3.4Å; L2404-A2718 HydrophobicContact CD2-CB 3.65Å; L2404-A2718 HydrophobicContact CG-CB 4.19Å; F2714-A2718 VanDerWaalsContact O-CB 3.28Å; F2714-A2718 WeakPolarHBondContact O-CB 3.43Å; F2714-A2718 PolarHBondContact O-N 3.16Å; S2715-A2718 PolarHBondContact O-N 3.39Å; A2718-I2721 PolarHBondContact O-N 3.09Å; A2718-R2722 WeakPolarHBondContact O-CG 3.45Å; A2718-R2722 PolarHBondContact O-N 3.27Å
2719Y91.7Very high90.8Very high66 Ų6635.4 Ų35.426%0.25916%0.158SC..Hα-helixtrans-65.1-37.7173.5-178-106.6000112.8V2597 V2599 S2715 L2716 S2717 R2722 S2723V2597-Y2719 HydrophobicContact CB-CE1 4.35Å; V2597-Y2719 HydrophobicContact CG1-CE1 4.24Å; V2599-Y2719 HydrophobicContact CG1-CD1 4.46Å; V2599-Y2719 HydrophobicContact CG2-CD1 3.73Å; V2599-Y2719 HydrophobicContact CG2-CE1 3.83Å; S2715-Y2719 WeakPolarHBondContact O-CB 3.37Å; S2715-Y2719 PolarHBondContact O-N 3.11Å; L2716-Y2719 CarbonylContact O-C 3.57Å; L2716-Y2719 WeakPolarHBondContact O-CB 3.39Å; L2716-Y2719 PolarHBondContact O-N 3.28Å; S2717-Y2719 VanDerWaalsContact C-N 3.33Å; S2717-Y2719 PolarHBondContact O-N 3.19Å; Y2719-R2722 PolarHBondContact O-N 3.26Å; Y2719-S2723 WeakPolarHBondContact CE1-OG 3.39Å; Y2719-S2723 VanDerWaalsContact O-CB 3.3Å; Y2719-S2723 WeakPolarHBondContact O-CB 3.29Å; Y2719-S2723 PolarHBondContact O-N 3.19Å; Y2719-S2723 PolarHBondContact O-OG 3.27Å
2720Q92.9Very high89.5Confident1.33333 Ų1.3333336 Ų361%0.00616%0.161CC..Hα-helixtrans-66.4-38.6174.4-17560.353.400112V2597 V2599 M2603 L2716 S2717 S2723 G2724 Y2725V2597-Q2720 PolarHBondContact O-NE2 3.32Å; V2597-Q2720 PolarHBondContact O-OE1 3.17Å; V2599-Q2720 VanDerWaalsContact CG2-OE1 3.3Å; M2603-Q2720 HydrophobicContact SD-CB 3.97Å; M2603-Q2720 HydrophobicContact SD-CG 4.31Å; L2716-Q2720 WeakPolarHBondContact O-CB 3.44Å; L2716-Q2720 PolarHBondContact O-N 3.07Å; S2717-Q2720 WeakPolarHBondContact O-CB 3.42Å; S2717-Q2720 PolarHBondContact O-N 3.42Å; S2717-Q2720 VanDerWaalsContact O-N 3.16Å; Q2720-S2723 PolarHBondContact O-N 3.34Å; Q2720-G2724 WeakPolarHBondContact O-CA 3.35Å; Q2720-G2724 PolarHBondContact O-N 3.29Å; Q2720-Y2725 HydrophobicContact CG-CD1 4.25Å; Q2720-Y2725 HydrophobicContact CG-CE1 3.71Å
2721I91.8Very high88.4Confident4 Ų437.6 Ų37.62%0.02118%0.178CC..Hα-helixtrans-65.8-45.6175.8-63.5158.2000110.5L2404 M2588 V2667 K2670 F2671 Q2674 S2717 A2718 G2724L2404-I2721 HydrophobicContact CD2-CB 4.3Å; L2404-I2721 HydrophobicContact CD2-CD1 4.23Å; L2404-I2721 HydrophobicContact CD2-CG2 3.99Å; M2588-I2721 HydrophobicContact CE-CB 3.88Å; M2588-I2721 HydrophobicContact CE-CG2 3.43Å; M2588-I2721 VanDerWaalsContact CE-CG2 3.46Å; M2588-I2721 HydrophobicContact SD-CG2 4.13Å; V2667-I2721 HydrophobicContact CG1-CG2 3.99Å; K2670-I2721 HydrophobicContact CB-CG1 4.29Å; K2670-I2721 HydrophobicContact CG-CD1 4.13Å; K2670-I2721 HydrophobicContact CG-CG1 3.72Å; F2671-I2721 HydrophobicContact CB-CG2 4.26Å; F2671-I2721 HydrophobicContact CD2-CG2 4.33Å; Q2674-I2721 HydrophobicContact CB-CD1 3.8Å; Q2674-I2721 HydrophobicContact CG-CD1 4.1Å; S2717-I2721 WeakPolarHBondContact O-CD1 3.49Å; S2717-I2721 VanDerWaalsContact O-CG1 3.29Å; S2717-I2721 WeakPolarHBondContact O-CG1 3.48Å; S2717-I2721 PolarHBondContact O-N 3.2Å; A2718-I2721 PolarHBondContact O-N 3.09Å; I2721-G2724 PolarHBondContact O-N 2.98Å
2722R89.6Confident87.6Confident32 Ų3238 Ų3812%0.12118%0.181CC..Hα-helixtrans-61.7-44.8176-60-176.6-40.1164.9-3112.1H1874 M2403 S2405 V2406 M2588 N2594 A2718 Y2719 G2724H1874-R2722 PolarHBondContact NE2-NH1 3.01Å; M2403-R2722 VanDerWaalsContact O-CD 3.3Å; M2403-R2722 WeakPolarHBondContact O-CD 3.24Å; M2403-R2722 PolarHBondContact O-NE 3.26Å; M2403-R2722 PolarHBondContact O-NH1 2.83Å; M2403-R2722 PolarHBondContact O-NH2 3.43Å; M2403-R2722 PolarHBondContact SD-NH2 3.48Å; S2405-R2722 WeakPolarHBondContact O-CD 3.44Å; S2405-R2722 PolarHBondContact O-NH1 3.23Å; V2406-R2722 HydrophobicContact CG2-CB 3.91Å; V2406-R2722 HydrophobicContact CG2-CG 3.6Å; M2588-R2722 HydrophobicContact CE-CB 4.32Å; M2588-R2722 HydrophobicContact CE-CG 3.49Å; M2588-R2722 VanDerWaalsContact CE-CG 3.48Å; N2594-R2722 WeakPolarHBondContact CB-O 3.48Å; N2594-R2722 PolarHBondContact ND2-O 3.41Å; N2594-R2722 PolarHBondContact OD1-O 3.22Å; N2594-R2722 VanDerWaalsContact OD1-O 3.05Å; A2718-R2722 WeakPolarHBondContact O-CG 3.45Å; A2718-R2722 PolarHBondContact O-N 3.27Å; Y2719-R2722 PolarHBondContact O-N 3.26Å; R2722-G2724 VanDerWaalsContact C-N 3.35Å; R2722-G2724 PolarHBondContact O-N 3.46Å
2723S87.1Confident86.8Confident6 Ų638.4 Ų38.44%0.04218%0.177CC..Hα-helixtrans-66.3-41.2178.9-580000111.6K2595 K2596 V2597 Y2719 Q2720K2595-S2723 VanDerWaalsContact O-CA 3.3Å; K2595-S2723 WeakPolarHBondContact O-CA 3.33Å; K2595-S2723 WeakPolarHBondContact O-CB 3.37Å; K2596-S2723 WeakPolarHBondContact CD-O 3.36Å; K2596-S2723 WeakPolarHBondContact CE-O 3.22Å; K2596-S2723 PolarHBondContact NZ-O 3.17Å; K2596-S2723 VanDerWaalsContact NZ-O 3.09Å; V2597-S2723 VanDerWaalsContact CG2-OG 3.27Å; V2597-S2723 WeakPolarHBondContact CG2-OG 3.44Å; Y2719-S2723 WeakPolarHBondContact CE1-OG 3.39Å; Y2719-S2723 VanDerWaalsContact O-CB 3.3Å; Y2719-S2723 WeakPolarHBondContact O-CB 3.29Å; Y2719-S2723 PolarHBondContact O-N 3.19Å; Y2719-S2723 PolarHBondContact O-OG 3.27Å; Q2720-S2723 PolarHBondContact O-N 3.34Å
2724G87.3Confident86.1Confident4 Ų439.1 Ų39.14%0.04118%0.18CC..  trans70.5158.3-166.900000112.5Q2720 I2721 R2722Q2720-G2724 WeakPolarHBondContact O-CA 3.35Å; Q2720-G2724 PolarHBondContact O-N 3.29Å; I2721-G2724 PolarHBondContact O-N 2.98Å; R2722-G2724 VanDerWaalsContact C-N 3.35Å; R2722-G2724 PolarHBondContact O-N 3.46Å
2725Y88.6Confident85.5Confident21.3333 Ų21.333339.4 Ų39.48%0.08418%0.182CC..  trans-72142.2-176.5-56.2-69.1000112.7F2662 K2665 V2667 K2670 Q2720F2662-Y2725 AromaticContact CD2-CD1 3.95Å; F2662-Y2725 HydrophobicContact CD2-CD1 3.95Å; F2662-Y2725 AromaticContact CD2-CE1 3.74Å; F2662-Y2725 HydrophobicContact CD2-CE1 3.74Å; F2662-Y2725 HydrophobicContact CE2-CD1 4.28Å; F2662-Y2725 HydrophobicContact CE2-CE1 4.42Å; K2665-Y2725 VanDerWaalsContact C-CD2 3.42Å; K2665-Y2725 VanDerWaalsContact CA-CD2 3.48Å; K2665-Y2725 HydrophobicContact CB-CD2 4.19Å; K2665-Y2725 HydrophobicContact CB-CG 4.46Å; K2665-Y2725 WeakPolarHBondContact O-CD2 3.24Å; V2667-Y2725 HydrophobicContact CG2-CD2 3.74Å; V2667-Y2725 HydrophobicContact CG2-CE2 3.99Å; K2670-Y2725 WeakPolarHBondContact CB-OH 3.34Å; K2670-Y2725 VanDerWaalsContact CG-OH 3.3Å; K2670-Y2725 WeakPolarHBondContact CG-OH 3.34Å; Q2720-Y2725 HydrophobicContact CG-CD1 4.25Å; Q2720-Y2725 HydrophobicContact CG-CE1 3.71Å
2726P87.5Confident85.1Confident29 Ų2944.3 Ų44.319%0.18820%0.2CC..  trans-72.7163.2169.931.6-33.6000111.3K2596 D2598 R2728 I2729K2596-P2726 HydrophobicContact CB-CB 4.37Å; D2598-P2726 HydrophobicContact CB-CG 3.99Å; P2726-R2728 WeakPolarHBondContact CG-O 3.22Å; P2726-R2728 PolarHBondContact O-N 3.43Å; P2726-I2729 HydrophobicContact CG-CG2 4.02Å; P2726-I2729 WeakPolarHBondContact O-CG2 3.37Å
2727R79.8Confident84.7Confident234.667 Ų234.66744.8 Ų44.889%0.88620%0.203SC*.SBendtrans-66.4-39.3178-70.1-173.4176.3-171.7-1112.4K2665K2665-R2727 PolarHBondContact NZ-O 3.39Å
2728R82.6Confident84.4Confident160 Ų16047.7 Ų47.760%0.60421%0.214SC*.  trans-96.2110.6178.6-178.3172.6-107.2160.4-4.2110.5P2726 E3178P2726-R2728 WeakPolarHBondContact CG-O 3.22Å; P2726-R2728 PolarHBondContact O-N 3.43Å; R2728-E3178 VanDerWaalsContact CA-OE1 3.22Å; R2728-E3178 WeakPolarHBondContact CA-OE1 3.35Å; R2728-E3178 WeakPolarHBondContact CA-OE2 3.11Å; R2728-E3178 WeakPolarHBondContact CB-OE2 3.42Å; R2728-E3178 WeakPolarHBondContact CG-OE2 3.5Å; R2728-E3178 IonicContact NE-OE2 3.87Å
2729I80.4Confident84.2Confident16 Ų1649.8 Ų49.88%0.08223%0.226CC..  trans-125.7-16.5178.866.8171.7000113.4F2662 L2663 K2665 P2726 G2731 E3178F2662-I2729 HydrophobicContact CD1-CD1 4.34Å; F2662-I2729 HydrophobicContact CE1-CB 4.19Å; F2662-I2729 HydrophobicContact CE1-CD1 4.12Å; F2662-I2729 HydrophobicContact CE1-CG1 4.47Å; F2662-I2729 HydrophobicContact CE2-CG2 4.41Å; F2662-I2729 HydrophobicContact CZ-CB 3.85Å; F2662-I2729 HydrophobicContact CZ-CD1 4.35Å; F2662-I2729 HydrophobicContact CZ-CG2 4.12Å; F2662-I2729 WeakPolarHBondContact O-CD1 3.1Å; L2663-I2729 HydrophobicContact CD2-CD1 4.36Å; K2665-I2729 HydrophobicContact CD-CD1 4.29Å; K2665-I2729 HydrophobicContact CG-CD1 3.92Å; P2726-I2729 HydrophobicContact CG-CG2 4.02Å; P2726-I2729 WeakPolarHBondContact O-CG2 3.37Å; I2729-G2731 VanDerWaalsContact C-N 3.34Å; I2729-G2731 PolarHBondContact O-N 3.25Å; I2729-E3178 PolarHBondContact N-OE1 2.99Å
2730L68.5Low83.9Confident41 Ų4152.4 Ų52.422%0.21524%0.236CC..  trans-81128.6-177.6-76.688000110.4T2767 R3177 E3178L2730-T2767 HydrophobicContact CD2-CG2 4.01Å; L2730-R3177 HydrophobicContact CD2-CG 4.11Å; L2730-E3178 HydrophobicContact CB-CG 3.93Å; L2730-E3178 WeakPolarHBondContact CB-OE1 3.43Å; L2730-E3178 HydrophobicContact CD1-CG 3.54Å; L2730-E3178 HydrophobicContact CG-CG 4.17Å; L2730-E3178 PolarHBondContact N-OE1 2.85Å
2731G71.8Confident83.8Confident35.3333 Ų35.333355.1 Ų55.136%0.36425%0.25SC..SBendtrans138.6147.6-176.500000111.3I2729 F2733 R2759I2729-G2731 VanDerWaalsContact C-N 3.34Å; I2729-G2731 PolarHBondContact O-N 3.25Å; G2731-F2733 PolarHBondContact O-N 2.87Å; G2731-R2759 PolarHBondContact O-NH2 3.44Å
2732N78.2Confident83.7Confident13 Ų1355.6 Ų55.67%0.0725%0.252CS..  trans-79.9133.8174.9-169-20.1000110.1L2734 T2735 F2746 R2759N2732-L2734 VanDerWaalsContact C-N 3.27Å; N2732-L2734 PolarHBondContact O-N 2.87Å; N2732-L2734 PolarHBondContact OD1-N 2.89Å; N2732-L2734 VanDerWaalsContact OD1-N 3.16Å; N2732-T2735 HydrophobicContact CB-CG2 3.93Å; N2732-T2735 WeakPolarHBondContact CB-OG1 3.47Å; N2732-T2735 PolarHBondContact N-OG1 2.91Å; N2732-T2735 WeakPolarHBondContact O-CA 3.49Å; N2732-T2735 PolarHBondContact O-N 3.13Å; N2732-T2735 VanDerWaalsContact O-N 3.15Å; N2732-T2735 PolarHBondContact O-OG1 3.2Å; N2732-T2735 VanDerWaalsContact O-OG1 3.04Å; N2732-F2746 WeakPolarHBondContact ND2-CE2 3.5Å; N2732-R2759 PolarHBondContact ND2-NH1 3.32Å; N2732-R2759 PolarHBondContact OD1-NH1 2.83Å; N2732-R2759 VanDerWaalsContact OD1-NH1 3.13Å
2733F78.4Confident83.8Confident73 Ų7354.3 Ų54.332%0.3225%0.248SC..G310 helixtrans-62.2-35.9179.6105.8-88.7000112.8I2601 G2731 T2735 K2736I2601-F2733 HydrophobicContact CB-CD2 4.07Å; I2601-F2733 HydrophobicContact CB-CE2 4.18Å; I2601-F2733 HydrophobicContact CB-CG 4.39Å; I2601-F2733 HydrophobicContact CD1-CB 3.51Å; I2601-F2733 HydrophobicContact CD1-CD1 4.37Å; I2601-F2733 HydrophobicContact CD1-CD2 4.08Å; I2601-F2733 HydrophobicContact CD1-CE2 4.25Å; I2601-F2733 HydrophobicContact CD1-CG 3.9Å; I2601-F2733 HydrophobicContact CG1-CB 3.69Å; I2601-F2733 HydrophobicContact CG1-CD1 4.17Å; I2601-F2733 HydrophobicContact CG1-CD2 3.62Å; I2601-F2733 HydrophobicContact CG1-CE2 4.23Å; I2601-F2733 HydrophobicContact CG1-CG 3.81Å; I2601-F2733 HydrophobicContact CG2-CB 4.43Å; I2601-F2733 HydrophobicContact CG2-CD1 3.91Å; I2601-F2733 HydrophobicContact CG2-CD2 3.95Å; I2601-F2733 HydrophobicContact CG2-CE1 3.95Å; I2601-F2733 HydrophobicContact CG2-CE2 3.98Å; I2601-F2733 HydrophobicContact CG2-CG 3.9Å; I2601-F2733 HydrophobicContact CG2-CZ 3.97Å; G2731-F2733 PolarHBondContact O-N 2.87Å; F2733-T2735 VanDerWaalsContact C-N 3.27Å; F2733-T2735 PolarHBondContact O-N 3.02Å; F2733-K2736 PolarHBondContact O-N 3.17Å
2734L80.9Confident84Confident15 Ų1557.8 Ų57.88%0.07927%0.269CS..G310 helixtrans-66.2-24.2177.8-66.2173.6000111.9N2732 K2736 N2742 L2745 F2746 Y2749N2732-L2734 VanDerWaalsContact C-N 3.27Å; N2732-L2734 PolarHBondContact O-N 2.87Å; N2732-L2734 PolarHBondContact OD1-N 2.89Å; N2732-L2734 VanDerWaalsContact OD1-N 3.16Å; L2734-K2736 PolarHBondContact O-N 3Å; L2734-N2742 PolarHBondContact O-ND2 2.91Å; L2734-L2745 HydrophobicContact CD1-CB 4.48Å; L2734-L2745 HydrophobicContact CD2-CB 3.78Å; L2734-L2745 HydrophobicContact CD2-CD1 4.21Å; L2734-F2746 HydrophobicContact CB-CB 4.44Å; L2734-F2746 HydrophobicContact CB-CD2 4.12Å; L2734-F2746 HydrophobicContact CD1-CB 4.42Å; L2734-F2746 HydrophobicContact CD1-CD2 4.42Å; L2734-Y2749 HydrophobicContact CD1-CD2 4.43Å; L2734-Y2749 HydrophobicContact CD1-CG 4.08Å
2735T83.9Confident84.2Confident6 Ų661.1 Ų61.14%0.03729%0.285CS..G310 helixtrans-91.13.1-175.264.30000114.8N2732 F2733 N2737 F2746 Y2783 F2787N2732-T2735 HydrophobicContact CB-CG2 3.93Å; N2732-T2735 WeakPolarHBondContact CB-OG1 3.47Å; N2732-T2735 PolarHBondContact N-OG1 2.91Å; N2732-T2735 WeakPolarHBondContact O-CA 3.49Å; N2732-T2735 PolarHBondContact O-N 3.13Å; N2732-T2735 VanDerWaalsContact O-N 3.15Å; N2732-T2735 PolarHBondContact O-OG1 3.2Å; N2732-T2735 VanDerWaalsContact O-OG1 3.04Å; F2733-T2735 VanDerWaalsContact C-N 3.27Å; F2733-T2735 PolarHBondContact O-N 3.02Å; T2735-N2737 VanDerWaalsContact C-N 3.34Å; T2735-N2737 PolarHBondContact O-N 3.15Å; T2735-F2746 HydrophobicContact CG2-CD2 3.88Å; T2735-F2746 HydrophobicContact CG2-CE2 3.68Å; T2735-F2746 VanDerWaalsContact CG2-CE2 3.5Å; T2735-F2746 HydrophobicContact CG2-CZ 4.35Å; T2735-Y2783 VanDerWaalsContact CB-OH 3.32Å; T2735-Y2783 WeakPolarHBondContact CB-OH 3.3Å; T2735-Y2783 HydrophobicContact CG2-CE1 4Å; T2735-Y2783 PolarHBondContact OG1-OH 3.1Å; T2735-F2787 VanDerWaalsContact CB-CE2 3.5Å; T2735-F2787 HydrophobicContact CG2-CB 4.31Å; T2735-F2787 HydrophobicContact CG2-CD1 3.72Å; T2735-F2787 HydrophobicContact CG2-CD2 3.59Å; T2735-F2787 VanDerWaalsContact CG2-CD2 3.49Å; T2735-F2787 HydrophobicContact CG2-CE1 3.9Å; T2735-F2787 HydrophobicContact CG2-CE2 3.81Å; T2735-F2787 HydrophobicContact CG2-CG 3.55Å; T2735-F2787 VanDerWaalsContact CG2-CG 3.44Å; T2735-F2787 HydrophobicContact CG2-CZ 3.94Å
2736K83.6Confident84.4Confident132.333 Ų132.33360.2 Ų60.258%0.57528%0.282SS*.G310 helixtrans-68.2-32179.7-69.1-176.7177.7178.50113.9F2733 L2734F2733-K2736 PolarHBondContact O-N 3.17Å; L2734-K2736 PolarHBondContact O-N 3Å
2737N86.3Confident84.6Confident51 Ų5163.7 Ų63.727%0.27329%0.294SS..SBendtrans-126.5143.4178.1-5816.5000110.6Q1916 T2735 N2739 N2742Q1916-N2737 PolarHBondContact NE2-ND2 3.07Å; Q1916-N2737 PolarHBondContact NE2-OD1 2.87Å; T2735-N2737 VanDerWaalsContact C-N 3.34Å; T2735-N2737 PolarHBondContact O-N 3.15Å; N2737-N2739 VanDerWaalsContact C-N 3.33Å; N2737-N2739 WeakPolarHBondContact CB-OD1 3.44Å; N2737-N2739 PolarHBondContact O-N 3.05Å; N2737-N2739 VanDerWaalsContact O-N 3.08Å; N2737-N2742 WeakPolarHBondContact CB-ND2 3.11Å; N2737-N2742 WeakPolarHBondContact O-CB 3.47Å; N2737-N2742 PolarHBondContact O-ND2 2.97Å; N2737-N2742 VanDerWaalsContact O-ND2 3.08Å
2738Y89.1Confident85.2Confident61 Ų6154.2 Ų54.224%0.23927%0.269CS..  trans-93.248.4-179.4-51.5-71.7000112.5F2787 K2790 C2791 R2794 L3167Y2738-F2787 AromaticContact CD1-CD2 3.92Å; Y2738-F2787 HydrophobicContact CD1-CD2 3.97Å; Y2738-F2787 AromaticContact CD1-CE2 3.61Å; Y2738-F2787 HydrophobicContact CD1-CE2 3.61Å; Y2738-F2787 AromaticContact CE1-CD2 3.76Å; Y2738-F2787 HydrophobicContact CE1-CD2 3.76Å; Y2738-F2787 AromaticContact CE1-CE2 3.73Å; Y2738-F2787 HydrophobicContact CE1-CE2 3.73Å; Y2738-K2790 HydrophobicContact CD1-CB 4.21Å; Y2738-K2790 HydrophobicContact CD1-CD 4.02Å; Y2738-K2790 HydrophobicContact CD1-CG 3.59Å; Y2738-K2790 VanDerWaalsContact CD1-CG 3.44Å; Y2738-K2790 HydrophobicContact CD2-CG 4.46Å; Y2738-K2790 HydrophobicContact CE1-CB 4.4Å; Y2738-K2790 HydrophobicContact CE1-CD 3.56Å; Y2738-K2790 HydrophobicContact CE1-CG 3.76Å; Y2738-K2790 HydrophobicContact CE2-CD 4.12Å; Y2738-K2790 VanDerWaalsContact CE2-CE 3.49Å; Y2738-K2790 HydrophobicContact CG-CG 4.03Å; Y2738-K2790 PolarHBondContact OH-NZ 3.15Å; Y2738-C2791 VanDerWaalsContact CA-SG 3.59Å; Y2738-R2794 VanDerWaalsContact O-CG 3.25Å; Y2738-R2794 WeakPolarHBondContact O-CG 3.28Å; Y2738-L3167 HydrophobicContact CE1-CD2 3.73Å; Y2738-L3167 VanDerWaalsContact OH-CD2 3.26Å; Y2738-L3167 WeakPolarHBondContact OH-CD2 3.38Å
2739N87.5Confident85.6Confident43.6667 Ų43.666748.1 Ų48.123%0.23425%0.246CC..  trans-92.6154.9-176.9-66.115.4000111.2N1919 N2737 I2741 N2742 L2743N1919-N2739 WeakPolarHBondContact CB-ND2 3.31Å; N1919-N2739 PolarHBondContact ND2-ND2 3.44Å; N1919-N2739 VanDerWaalsContact ND2-ND2 3.18Å; N1919-N2739 WeakPolarHBondContact OD1-CB 3.44Å; N2737-N2739 VanDerWaalsContact C-N 3.33Å; N2737-N2739 WeakPolarHBondContact CB-OD1 3.44Å; N2737-N2739 PolarHBondContact O-N 3.05Å; N2737-N2739 VanDerWaalsContact O-N 3.08Å; N2739-I2741 VanDerWaalsContact C-N 3.34Å; N2739-I2741 PolarHBondContact O-N 3.09Å; N2739-N2742 HydrophobicContact CB-CB 4.4Å; N2739-N2742 WeakPolarHBondContact O-CA 3.44Å; N2739-N2742 WeakPolarHBondContact O-CB 3.48Å; N2739-N2742 PolarHBondContact O-N 3.08Å; N2739-N2742 VanDerWaalsContact O-N 3.08Å; N2739-L2743 PolarHBondContact O-N 3.23Å; N2739-L2743 VanDerWaalsContact O-N 3.1Å
2740Y87Confident86.2Confident120.333 Ų120.33350 Ų5047%0.47226%0.257SS..Hα-helixtrans-60.5-35.4179.7-167.4-96.7000112.9N2742 L2743 V2744 W2792Y2740-N2742 VanDerWaalsContact C-N 3.31Å; Y2740-N2742 PolarHBondContact O-N 3.09Å; Y2740-L2743 HydrophobicContact CD2-CD2 4.21Å; Y2740-L2743 HydrophobicContact CE2-CD2 4.17Å; Y2740-L2743 WeakPolarHBondContact O-CB 3.4Å; Y2740-L2743 PolarHBondContact O-N 3.07Å; Y2740-V2744 HydrophobicContact CD1-CG2 4.35Å; Y2740-V2744 HydrophobicContact CE1-CG2 4.08Å; Y2740-V2744 WeakPolarHBondContact O-CG2 3.36Å; Y2740-V2744 PolarHBondContact O-N 3.26Å; Y2740-V2744 VanDerWaalsContact O-N 3.13Å; Y2740-W2792 HydrophobicContact CE2-CH2 4.35Å; Y2740-W2792 HydrophobicContact CE2-CZ3 4.17Å
2741I89Confident87.3Confident57.6667 Ų57.666755.1 Ų55.130%0.29628%0.283SS..Hα-helixtrans-65.8-39174.1-62.9170.3000111I1915 L1918 N1919 M1922 N2739 L2743 V2744 L2745I1915-I2741 HydrophobicContact CG2-CB 4.48Å; I1915-I2741 HydrophobicContact CG2-CD1 4.42Å; I1915-I2741 HydrophobicContact CG2-CG2 4.11Å; L1918-I2741 HydrophobicContact CB-CD1 4.46Å; L1918-I2741 HydrophobicContact CD2-CD1 3.98Å; L1918-I2741 HydrophobicContact CG-CD1 4Å; N1919-I2741 HydrophobicContact CB-CD1 4.48Å; N1919-I2741 VanDerWaalsContact CG-CD1 3.49Å; N1919-I2741 WeakPolarHBondContact ND2-CD1 3.49Å; N1919-I2741 WeakPolarHBondContact OD1-CD1 3.46Å; N1919-I2741 WeakPolarHBondContact OD1-CG1 3.28Å; M1922-I2741 HydrophobicContact CE-CD1 3.47Å; M1922-I2741 VanDerWaalsContact CE-CD1 3.47Å; M1922-I2741 HydrophobicContact CE-CG1 3.64Å; N2739-I2741 VanDerWaalsContact C-N 3.34Å; N2739-I2741 PolarHBondContact O-N 3.09Å; I2741-L2743 VanDerWaalsContact C-N 3.32Å; I2741-L2743 PolarHBondContact O-N 3.09Å; I2741-V2744 PolarHBondContact O-N 3.27Å; I2741-V2744 VanDerWaalsContact O-N 3.16Å; I2741-L2745 HydrophobicContact CG2-CD1 3.84Å; I2741-L2745 HydrophobicContact CG2-CG 4.2Å; I2741-L2745 WeakPolarHBondContact O-CB 3.3Å; I2741-L2745 VanDerWaalsContact O-CG 3.27Å; I2741-L2745 WeakPolarHBondContact O-CG 3.3Å; I2741-L2745 PolarHBondContact O-N 3.2Å
2742N90.8Very high88.1Confident14.3333 Ų14.333355.8 Ų55.88%0.07728%0.28CS..Hα-helixtrans-66.7-35.4177.2-72.830.8000111.7L2734 N2737 N2739 Y2740 F2746 F2787L2734-N2742 PolarHBondContact O-ND2 2.91Å; N2737-N2742 WeakPolarHBondContact CB-ND2 3.11Å; N2737-N2742 WeakPolarHBondContact O-CB 3.47Å; N2737-N2742 PolarHBondContact O-ND2 2.97Å; N2737-N2742 VanDerWaalsContact O-ND2 3.08Å; N2739-N2742 HydrophobicContact CB-CB 4.4Å; N2739-N2742 WeakPolarHBondContact O-CA 3.44Å; N2739-N2742 WeakPolarHBondContact O-CB 3.48Å; N2739-N2742 PolarHBondContact O-N 3.08Å; N2739-N2742 VanDerWaalsContact O-N 3.08Å; Y2740-N2742 VanDerWaalsContact C-N 3.31Å; Y2740-N2742 PolarHBondContact O-N 3.09Å; N2742-F2746 WeakPolarHBondContact O-CB 3.35Å; N2742-F2746 PolarHBondContact O-N 3.11Å; N2742-F2787 HydrophobicContact CB-CZ 4.44Å
2743L91.1Very high88.7Confident5 Ų559.9 Ų59.93%0.02631%0.308CS..Hα-helixtrans-59.5-47.6170.9177.5130.5000111.5N2739 Y2740 I2741 F2746 K2747 I2788 C2791 W2792N2739-L2743 PolarHBondContact O-N 3.23Å; N2739-L2743 VanDerWaalsContact O-N 3.1Å; Y2740-L2743 HydrophobicContact CD2-CD2 4.21Å; Y2740-L2743 HydrophobicContact CE2-CD2 4.17Å; Y2740-L2743 WeakPolarHBondContact O-CB 3.4Å; Y2740-L2743 PolarHBondContact O-N 3.07Å; I2741-L2743 VanDerWaalsContact C-N 3.32Å; I2741-L2743 PolarHBondContact O-N 3.09Å; L2743-F2746 PolarHBondContact O-N 3.42Å; L2743-K2747 HydrophobicContact CD2-CD 4.16Å; L2743-K2747 HydrophobicContact CD2-CG 4.38Å; L2743-K2747 WeakPolarHBondContact O-CB 3.4Å; L2743-K2747 WeakPolarHBondContact O-CG 3.39Å; L2743-K2747 PolarHBondContact O-N 3.14Å; L2743-I2788 HydrophobicContact CD1-CB 4.35Å; L2743-I2788 HydrophobicContact CD1-CG1 4.44Å; L2743-I2788 HydrophobicContact CD1-CG2 3.95Å; L2743-C2791 HydrophobicContact CB-CB 3.87Å; L2743-C2791 HydrophobicContact CD1-CB 3.68Å; L2743-C2791 HydrophobicContact CG-CB 4.23Å; L2743-W2792 HydrophobicContact CD1-CD2 3.82Å; L2743-W2792 HydrophobicContact CD1-CE3 4.25Å; L2743-W2792 HydrophobicContact CD1-CG 3.96Å; L2743-W2792 HydrophobicContact CD1-CZ2 4.3Å; L2743-W2792 HydrophobicContact CD2-CD2 4.07Å; L2743-W2792 HydrophobicContact CD2-CE3 4.48Å; L2743-W2792 HydrophobicContact CD2-CH2 4.48Å; L2743-W2792 HydrophobicContact CD2-CZ2 4.23Å
2744V92.1Very high89.3Confident79.3333 Ų79.333364.1 Ų64.148%0.48133%0.326SS..Hα-helixtrans-65.7-46.2179.7174.70000111Y2740 I2741 F2746 K2747 G2748Y2740-V2744 HydrophobicContact CD1-CG2 4.35Å; Y2740-V2744 HydrophobicContact CE1-CG2 4.08Å; Y2740-V2744 WeakPolarHBondContact O-CG2 3.36Å; Y2740-V2744 PolarHBondContact O-N 3.26Å; Y2740-V2744 VanDerWaalsContact O-N 3.13Å; I2741-V2744 PolarHBondContact O-N 3.27Å; I2741-V2744 VanDerWaalsContact O-N 3.16Å; V2744-F2746 VanDerWaalsContact C-N 3.34Å; V2744-F2746 PolarHBondContact O-N 3.09Å; V2744-K2747 PolarHBondContact O-N 3.09Å; V2744-G2748 PolarHBondContact O-N 3.24Å
2745L90.9Very high89.8Confident74.6667 Ų74.666765 Ų6539%0.39133%0.33SS..Hα-helixtrans-64-38.1177.5-70.2174.2000112.4I1915 L2734 I2741 G2748 Y2749I1915-L2745 HydrophobicContact CD1-CD1 3.9Å; L2734-L2745 HydrophobicContact CD1-CB 4.48Å; L2734-L2745 HydrophobicContact CD2-CB 3.78Å; L2734-L2745 HydrophobicContact CD2-CD1 4.21Å; I2741-L2745 HydrophobicContact CG2-CD1 3.84Å; I2741-L2745 HydrophobicContact CG2-CG 4.2Å; I2741-L2745 WeakPolarHBondContact O-CB 3.3Å; I2741-L2745 VanDerWaalsContact O-CG 3.27Å; I2741-L2745 WeakPolarHBondContact O-CG 3.3Å; I2741-L2745 PolarHBondContact O-N 3.2Å; L2745-G2748 PolarHBondContact O-N 2.93Å; L2745-Y2749 WeakPolarHBondContact O-CB 3.44Å; L2745-Y2749 PolarHBondContact O-N 3.06Å
2746F93.2Very high90.1Very high2.33333 Ų2.3333366 Ų661%0.0133%0.334CS..Hα-helixtrans-69.6-40.3177-173.1-100.6000112.2N2732 L2734 T2735 N2742 L2743 V2744 G2748 Y2749 L2750 F2787 I2788N2732-F2746 WeakPolarHBondContact ND2-CE2 3.5Å; L2734-F2746 HydrophobicContact CB-CB 4.44Å; L2734-F2746 HydrophobicContact CB-CD2 4.12Å; L2734-F2746 HydrophobicContact CD1-CB 4.42Å; L2734-F2746 HydrophobicContact CD1-CD2 4.42Å; T2735-F2746 HydrophobicContact CG2-CD2 3.88Å; T2735-F2746 HydrophobicContact CG2-CE2 3.68Å; T2735-F2746 VanDerWaalsContact CG2-CE2 3.5Å; T2735-F2746 HydrophobicContact CG2-CZ 4.35Å; N2742-F2746 WeakPolarHBondContact O-CB 3.35Å; N2742-F2746 PolarHBondContact O-N 3.11Å; L2743-F2746 PolarHBondContact O-N 3.42Å; V2744-F2746 VanDerWaalsContact C-N 3.34Å; V2744-F2746 PolarHBondContact O-N 3.09Å; F2746-G2748 VanDerWaalsContact C-N 3.33Å; F2746-Y2749 HydrophobicContact CD2-CD1 4.28Å; F2746-Y2749 HydrophobicContact CE2-CD1 4.3Å; F2746-Y2749 HydrophobicContact CE2-CE1 4.44Å; F2746-Y2749 WeakPolarHBondContact O-CB 3.37Å; F2746-Y2749 PolarHBondContact O-N 3.16Å; F2746-L2750 HydrophobicContact CD1-CD1 4.05Å; F2746-L2750 HydrophobicContact CD1-CG 4.49Å; F2746-L2750 HydrophobicContact CE1-CD1 3.68Å; F2746-L2750 HydrophobicContact CE1-CG 4.28Å; F2746-L2750 HydrophobicContact CZ-CD1 4.32Å; F2746-L2750 WeakPolarHBondContact O-CG 3.31Å; F2746-L2750 PolarHBondContact O-N 3.08Å; F2746-L2750 VanDerWaalsContact O-N 3.08Å; F2746-F2787 HydrophobicContact CB-CD1 4.28Å; F2746-F2787 HydrophobicContact CB-CE1 3.76Å; F2746-F2787 AromaticContact CD1-CD1 3.55Å; F2746-F2787 HydrophobicContact CD1-CD1 3.55Å; F2746-F2787 VanDerWaalsContact CD1-CD1 3.46Å; F2746-F2787 AromaticContact CD1-CE1 3.89Å; F2746-F2787 HydrophobicContact CD1-CE1 3.94Å; F2746-F2787 HydrophobicContact CD2-CD1 4.14Å; F2746-F2787 HydrophobicContact CD2-CE1 4.17Å; F2746-F2787 AromaticContact CE1-CD1 3.79Å; F2746-F2787 HydrophobicContact CE1-CD1 3.79Å; F2746-F2787 HydrophobicContact CE1-CE1 4.46Å; F2746-F2787 HydrophobicContact CE2-CD1 4.36Å; F2746-F2787 AromaticContact CG-CD1 3.72Å; F2746-F2787 HydrophobicContact CG-CD1 3.72Å; F2746-F2787 AromaticContact CG-CE1 3.69Å; F2746-F2787 HydrophobicContact CG-CE1 3.69Å; F2746-F2787 HydrophobicContact CZ-CD1 4.2Å; F2746-I2788 HydrophobicContact CD1-CD1 4.03Å; F2746-I2788 HydrophobicContact CD1-CG1 3.72Å; F2746-I2788 HydrophobicContact CE1-CD1 3.99Å; F2746-I2788 HydrophobicContact CE1-CG1 3.89Å
2747K92.2Very high90.6Very high101.333 Ų101.33364.1 Ų64.144%0.44133%0.327SS..Hα-helixtrans-63.9-38.5170.4-77.1-163.7169.9-1560112.4L2743 V2744 L2750 L2751 I2788L2743-K2747 HydrophobicContact CD2-CD 4.16Å; L2743-K2747 HydrophobicContact CD2-CG 4.38Å; L2743-K2747 WeakPolarHBondContact O-CB 3.4Å; L2743-K2747 WeakPolarHBondContact O-CG 3.39Å; L2743-K2747 PolarHBondContact O-N 3.14Å; V2744-K2747 PolarHBondContact O-N 3.09Å; K2747-L2750 PolarHBondContact O-N 3.33Å; K2747-L2751 WeakPolarHBondContact O-CB 3.36Å; K2747-L2751 PolarHBondContact O-N 3.06Å; K2747-L2751 VanDerWaalsContact O-N 3.14Å; K2747-I2788 HydrophobicContact CG-CD1 4.27Å; K2747-I2788 HydrophobicContact CG-CG1 4.49Å
2748G92.1Very high90.8Very high35.6667 Ų35.666764.9 Ų64.937%0.36833%0.331SS..Hα-helixtrans-62.7-42.9173.400000112.3V2744 L2745 F2746 L2750 L2751 V2752V2744-G2748 PolarHBondContact O-N 3.24Å; L2745-G2748 PolarHBondContact O-N 2.93Å; F2746-G2748 VanDerWaalsContact C-N 3.33Å; G2748-L2750 VanDerWaalsContact C-N 3.34Å; G2748-L2750 PolarHBondContact O-N 2.92Å; G2748-L2751 WeakPolarHBondContact O-CB 3.37Å; G2748-L2751 PolarHBondContact O-N 3.13Å; G2748-L2751 VanDerWaalsContact O-N 3.11Å; G2748-V2752 PolarHBondContact O-N 3.15Å
2749Y91.4Very high91Very high31.6667 Ų31.666763.7 Ų63.712%0.12433%0.326CS..Hα-helixtrans-58.4-43.8174.1161.1-94.2000112.5L2734 L2745 F2746 L2751 V2752 L2755 Y2756 R2759L2734-Y2749 HydrophobicContact CD1-CD2 4.43Å; L2734-Y2749 HydrophobicContact CD1-CG 4.08Å; L2745-Y2749 WeakPolarHBondContact O-CB 3.44Å; L2745-Y2749 PolarHBondContact O-N 3.06Å; F2746-Y2749 HydrophobicContact CD2-CD1 4.28Å; F2746-Y2749 HydrophobicContact CE2-CD1 4.3Å; F2746-Y2749 HydrophobicContact CE2-CE1 4.44Å; F2746-Y2749 WeakPolarHBondContact O-CB 3.37Å; F2746-Y2749 PolarHBondContact O-N 3.16Å; Y2749-L2751 VanDerWaalsContact C-N 3.27Å; Y2749-L2751 PolarHBondContact O-N 3.31Å; Y2749-V2752 PolarHBondContact O-N 2.93Å; Y2749-L2755 HydrophobicContact CD2-CD2 3.69Å; Y2749-L2755 HydrophobicContact CE2-CD2 3.2Å; Y2749-Y2756 HydrophobicContact CE1-CD2 4.07Å; Y2749-R2759 WeakPolarHBondContact OH-CD 3.36Å
2750L92Very high91.2Very high57.3333 Ų57.333361.6 Ų61.630%0.332%0.315SS..Hα-helixtrans-69.6-20.1175.6-68175.2000113.8F2746 K2747 G2748 Y2756 I2788F2746-L2750 HydrophobicContact CD1-CD1 4.05Å; F2746-L2750 HydrophobicContact CD1-CG 4.49Å; F2746-L2750 HydrophobicContact CE1-CD1 3.68Å; F2746-L2750 HydrophobicContact CE1-CG 4.28Å; F2746-L2750 HydrophobicContact CZ-CD1 4.32Å; F2746-L2750 WeakPolarHBondContact O-CG 3.31Å; F2746-L2750 PolarHBondContact O-N 3.08Å; F2746-L2750 VanDerWaalsContact O-N 3.08Å; K2747-L2750 PolarHBondContact O-N 3.33Å; G2748-L2750 VanDerWaalsContact C-N 3.34Å; G2748-L2750 PolarHBondContact O-N 2.92Å; L2750-Y2756 HydrophobicContact CD2-CD1 4.4Å; L2750-Y2756 HydrophobicContact CD2-CD2 3.51Å; L2750-Y2756 VanDerWaalsContact CD2-CD2 3.48Å; L2750-Y2756 HydrophobicContact CD2-CE2 3.86Å; L2750-Y2756 HydrophobicContact CD2-CG 3.85Å; L2750-I2788 HydrophobicContact CD1-CD1 3.94Å
2751L91.2Very high91.5Very high146.667 Ų146.66758.7 Ų58.777%0.76831%0.31SS*.Hα-helixtrans-82.2-18.4178.3-170.565.4000112.7K2747 G2748 Y2749 P2753K2747-L2751 WeakPolarHBondContact O-CB 3.36Å; K2747-L2751 PolarHBondContact O-N 3.06Å; K2747-L2751 VanDerWaalsContact O-N 3.14Å; G2748-L2751 WeakPolarHBondContact O-CB 3.37Å; G2748-L2751 PolarHBondContact O-N 3.13Å; G2748-L2751 VanDerWaalsContact O-N 3.11Å; Y2749-L2751 VanDerWaalsContact C-N 3.27Å; Y2749-L2751 PolarHBondContact O-N 3.31Å; L2751-P2753 WeakPolarHBondContact O-CD 3.31Å
2752V90Very high91.7Very high51 Ų5157.3 Ų57.331%0.30930%0.302SS..SBendtrans-72119.8178.6-1750000109.3G2748 Y2749 L2755G2748-V2752 PolarHBondContact O-N 3.15Å; Y2749-V2752 PolarHBondContact O-N 2.93Å; V2752-L2755 HydrophobicContact CB-CB 4Å; V2752-L2755 HydrophobicContact CB-CD1 4.1Å; V2752-L2755 HydrophobicContact CG1-CB 3.84Å; V2752-L2755 HydrophobicContact CG1-CD1 3.7Å; V2752-L2755 HydrophobicContact CG1-CG 4.43Å; V2752-L2755 HydrophobicContact CG2-CD1 4.48Å; V2752-L2755 PolarHBondContact O-N 3.25Å
2753P90.5Very high91.8Very high98.6667 Ų98.666757.2 Ų57.264%0.64130%0.301SS*.THydrogen-bonded Turntrans-61.8141.6-174.925.8-34.9000111.5L2751 L2755L2751-P2753 WeakPolarHBondContact O-CD 3.31Å; P2753-L2755 PolarHBondContact O-N 3.03Å
2754F90.2Very high91.9Very high160.333 Ų160.33361.3 Ų61.370%0.70332%0.317SS*.THydrogen-bonded Turntrans61.5-14.7-179-49.2-72000116.8Y2756 E2757 L2758F2754-Y2756 PolarHBondContact O-N 3.28Å; F2754-E2757 WeakPolarHBondContact CA-OE2 3.11Å; F2754-E2757 PolarHBondContact N-OE2 3.4Å; F2754-E2757 PolarHBondContact O-N 3.42Å; F2754-L2758 HydrophobicContact CB-CD1 4.06Å; F2754-L2758 HydrophobicContact CB-CG 4.39Å; F2754-L2758 VanDerWaalsContact O-CB 3.26Å; F2754-L2758 WeakPolarHBondContact O-CB 3.43Å; F2754-L2758 VanDerWaalsContact O-CG 3.27Å; F2754-L2758 WeakPolarHBondContact O-CG 3.45Å; F2754-L2758 PolarHBondContact O-N 3.28Å
2755L90.8Very high92Very high33.6667 Ų33.666762.4 Ų62.418%0.17632%0.318CS..Hα-helixtrans-70.2-38.7-171.8-163159.1000112.1F2604 F2608 Y2749 V2752 P2753 R2759F2604-L2755 HydrophobicContact CZ-CD1 4.39Å; F2608-L2755 HydrophobicContact CE2-CD1 4.13Å; Y2749-L2755 HydrophobicContact CD2-CD2 3.69Å; Y2749-L2755 HydrophobicContact CE2-CD2 3.2Å; V2752-L2755 HydrophobicContact CB-CB 4Å; V2752-L2755 HydrophobicContact CB-CD1 4.1Å; V2752-L2755 HydrophobicContact CG1-CB 3.84Å; V2752-L2755 HydrophobicContact CG1-CD1 3.7Å; V2752-L2755 HydrophobicContact CG1-CG 4.43Å; V2752-L2755 HydrophobicContact CG2-CD1 4.48Å; V2752-L2755 PolarHBondContact O-N 3.25Å; P2753-L2755 PolarHBondContact O-N 3.03Å; L2755-R2759 VanDerWaalsContact O-CB 3.29Å; L2755-R2759 WeakPolarHBondContact O-CB 3.23Å; L2755-R2759 PolarHBondContact O-N 3.13Å; L2755-R2759 VanDerWaalsContact O-N 3.1Å
2756Y91.3Very high92Very high29 Ų2961.7 Ų61.711%0.11431%0.31CS..Hα-helixtrans-64.2-50173.1176.7-113.1000111.6Y2749 L2750 F2754 L2758 R2759 N2760 M2777 E2780 D2781Y2749-Y2756 HydrophobicContact CE1-CD2 4.07Å; L2750-Y2756 HydrophobicContact CD2-CD1 4.4Å; L2750-Y2756 HydrophobicContact CD2-CD2 3.51Å; L2750-Y2756 VanDerWaalsContact CD2-CD2 3.48Å; L2750-Y2756 HydrophobicContact CD2-CE2 3.86Å; L2750-Y2756 HydrophobicContact CD2-CG 3.85Å; F2754-Y2756 PolarHBondContact O-N 3.28Å; Y2756-L2758 PolarHBondContact O-N 3.23Å; Y2756-R2759 WeakPolarHBondContact O-CB 3.36Å; Y2756-R2759 PolarHBondContact O-N 3.06Å; Y2756-N2760 WeakPolarHBondContact CE1-ND2 3.34Å; Y2756-N2760 WeakPolarHBondContact CE2-ND2 3.46Å; Y2756-N2760 PolarHBondContact O-N 3.35Å; Y2756-N2760 PolarHBondContact O-OD1 3.08Å; Y2756-N2760 PolarHBondContact OH-ND2 2.93Å; Y2756-M2777 HydrophobicContact CE1-CE 4.47Å; Y2756-E2780 VanDerWaalsContact OH-C 3.31Å; Y2756-E2780 PolarHBondContact OH-O 3.06Å; Y2756-D2781 WeakPolarHBondContact OH-CA 3.37Å; Y2756-D2781 PolarHBondContact OH-N 3.29Å; Y2756-D2781 VanDerWaalsContact OH-N 3.13Å
2757E92.9Very high91.9Very high91.3333 Ų91.333362.9 Ų62.943%0.42732%0.317SS..Hα-helixtrans-62-50.2-179.1-55.6-23.8159.900112F2754 R2759 N2760 V2761 M2777F2754-E2757 WeakPolarHBondContact CA-OE2 3.11Å; F2754-E2757 PolarHBondContact N-OE2 3.4Å; F2754-E2757 PolarHBondContact O-N 3.42Å; E2757-R2759 VanDerWaalsContact C-N 3.28Å; E2757-R2759 PolarHBondContact O-N 3.13Å; E2757-N2760 PolarHBondContact O-N 2.95Å; E2757-N2760 VanDerWaalsContact O-N 3.15Å; E2757-V2761 WeakPolarHBondContact O-CG2 3.33Å; E2757-V2761 PolarHBondContact O-N 3.31Å; E2757-M2777 WeakPolarHBondContact OE2-CE 3.12Å
2758L92.4Very high91.9Very high68 Ų6862.7 Ų62.736%0.35633%0.329SS..Hα-helixtrans-60.7-39.1178.5-101.6168.1000110.9F2652 F2754 Y2756 M2762F2652-L2758 HydrophobicContact CE2-CD1 4.15Å; F2652-L2758 HydrophobicContact CZ-CD1 3.99Å; F2754-L2758 HydrophobicContact CB-CD1 4.06Å; F2754-L2758 HydrophobicContact CB-CG 4.39Å; F2754-L2758 VanDerWaalsContact O-CB 3.26Å; F2754-L2758 WeakPolarHBondContact O-CB 3.43Å; F2754-L2758 VanDerWaalsContact O-CG 3.27Å; F2754-L2758 WeakPolarHBondContact O-CG 3.45Å; F2754-L2758 PolarHBondContact O-N 3.28Å; Y2756-L2758 PolarHBondContact O-N 3.23Å; L2758-M2762 HydrophobicContact CB-CE 4.31Å; L2758-M2762 HydrophobicContact CD2-CE 3.17Å; L2758-M2762 HydrophobicContact CD2-CG 3.8Å; L2758-M2762 HydrophobicContact CD2-SD 3.3Å; L2758-M2762 WeakPolarHBondContact CD2-SD 3.37Å; L2758-M2762 VanDerWaalsContact O-CB 3.3Å; L2758-M2762 WeakPolarHBondContact O-CB 3.3Å; L2758-M2762 VanDerWaalsContact O-CE 3.28Å; L2758-M2762 WeakPolarHBondContact O-CE 3.34Å; L2758-M2762 VanDerWaalsContact O-CG 3.23Å; L2758-M2762 WeakPolarHBondContact O-CG 3.4Å; L2758-M2762 PolarHBondContact O-N 3.23Å
2759R91.8Very high91.8Very high35 Ų3562.6 Ų62.613%0.13232%0.323CS..Hα-helixtrans-61.2-50.8173.9-175.1-155.5164.8155-7.6111.1G2731 N2732 Y2749 L2755 Y2756 E2757 V2761 M2762 D2763 E2780G2731-R2759 PolarHBondContact O-NH2 3.44Å; N2732-R2759 PolarHBondContact ND2-NH1 3.32Å; N2732-R2759 PolarHBondContact OD1-NH1 2.83Å; N2732-R2759 VanDerWaalsContact OD1-NH1 3.13Å; Y2749-R2759 WeakPolarHBondContact OH-CD 3.36Å; L2755-R2759 VanDerWaalsContact O-CB 3.29Å; L2755-R2759 WeakPolarHBondContact O-CB 3.23Å; L2755-R2759 PolarHBondContact O-N 3.13Å; L2755-R2759 VanDerWaalsContact O-N 3.1Å; Y2756-R2759 WeakPolarHBondContact O-CB 3.36Å; Y2756-R2759 PolarHBondContact O-N 3.06Å; E2757-R2759 VanDerWaalsContact C-N 3.28Å; E2757-R2759 PolarHBondContact O-N 3.13Å; R2759-V2761 VanDerWaalsContact C-N 3.31Å; R2759-V2761 PolarHBondContact O-N 2.88Å; R2759-M2762 PolarHBondContact O-N 3.3Å; R2759-D2763 IonicContact CZ-OD2 3.1Å; R2759-D2763 IonicContact NE-OD2 3.39Å; R2759-D2763 PolarHBondContact NE-OD2 3.32Å; R2759-D2763 IonicContact NH2-OD2 2.74Å; R2759-D2763 PolarHBondContact NH2-OD2 2.9Å; R2759-D2763 VanDerWaalsContact NH2-OD2 3.16Å; R2759-D2763 VanDerWaalsContact O-CB 3.3Å; R2759-D2763 WeakPolarHBondContact O-CB 3.41Å; R2759-D2763 VanDerWaalsContact O-CG 3.29Å; R2759-D2763 PolarHBondContact O-N 2.86Å; R2759-E2780 IonicContact NH2-OE1 3.98Å
2760N91.9Very high91.9Very high0.666667 Ų0.66666764.4 Ų64.40%0.00434%0.344CS..Hα-helixtrans-62.9-41.5-175.7-69.2-6000111.6Y2756 E2757 D2763 W2764 W2776 M2777Y2756-N2760 WeakPolarHBondContact CE1-ND2 3.34Å; Y2756-N2760 WeakPolarHBondContact CE2-ND2 3.46Å; Y2756-N2760 PolarHBondContact O-N 3.35Å; Y2756-N2760 PolarHBondContact O-OD1 3.08Å; Y2756-N2760 PolarHBondContact OH-ND2 2.93Å; E2757-N2760 PolarHBondContact O-N 2.95Å; E2757-N2760 VanDerWaalsContact O-N 3.15Å; N2760-D2763 PolarHBondContact O-N 3.4Å; N2760-W2764 VanDerWaalsContact O-CB 3.3Å; N2760-W2764 WeakPolarHBondContact O-CB 3.4Å; N2760-W2764 PolarHBondContact O-N 3.01Å; N2760-W2776 PolarHBondContact O-NE1 3.28Å; N2760-M2777 HydrophobicContact CB-CE 4.46Å; N2760-M2777 HydrophobicContact CB-CG 4.43Å; N2760-M2777 HydrophobicContact CB-SD 3.35Å; N2760-M2777 WeakPolarHBondContact CB-SD 3.36Å; N2760-M2777 PolarHBondContact ND2-SD 3.15Å
2761V94.3Very high92Very high60 Ų6063.3 Ų63.336%0.36434%0.338SS..Hα-helixtrans-64.1-44175.51740000111.7E2757 R2759 W2764 M2765 L2773E2757-V2761 WeakPolarHBondContact O-CG2 3.33Å; E2757-V2761 PolarHBondContact O-N 3.31Å; R2759-V2761 VanDerWaalsContact C-N 3.31Å; R2759-V2761 PolarHBondContact O-N 2.88Å; V2761-W2764 PolarHBondContact O-N 3.08Å; V2761-M2765 VanDerWaalsContact O-CB 3.31Å; V2761-M2765 WeakPolarHBondContact O-CB 3.33Å; V2761-M2765 PolarHBondContact O-N 3Å; V2761-L2773 HydrophobicContact CG2-CD1 4.26Å; V2761-L2773 HydrophobicContact CG2-CD2 4.44Å
2762M92.6Very high92.2Very high27.3333 Ų27.333358.9 Ų58.914%0.13532%0.32CS..Hα-helixtrans-65.5-44.7176.7-76.8-171.1-61.100112.5I2656 R2659 L2758 R2759 W2764 M2765 W2766I2656-M2762 HydrophobicContact CG1-SD 4.27Å; R2659-M2762 HydrophobicContact CB-CE 4.25Å; R2659-M2762 HydrophobicContact CB-SD 4.01Å; R2659-M2762 HydrophobicContact CG-CB 4.27Å; R2659-M2762 HydrophobicContact CG-CE 4.03Å; R2659-M2762 HydrophobicContact CG-SD 3.92Å; L2758-M2762 HydrophobicContact CB-CE 4.31Å; L2758-M2762 HydrophobicContact CD2-CE 3.17Å; L2758-M2762 HydrophobicContact CD2-CG 3.8Å; L2758-M2762 HydrophobicContact CD2-SD 3.3Å; L2758-M2762 WeakPolarHBondContact CD2-SD 3.37Å; L2758-M2762 VanDerWaalsContact O-CB 3.3Å; L2758-M2762 WeakPolarHBondContact O-CB 3.3Å; L2758-M2762 VanDerWaalsContact O-CE 3.28Å; L2758-M2762 WeakPolarHBondContact O-CE 3.34Å; L2758-M2762 VanDerWaalsContact O-CG 3.23Å; L2758-M2762 WeakPolarHBondContact O-CG 3.4Å; L2758-M2762 PolarHBondContact O-N 3.23Å; R2759-M2762 PolarHBondContact O-N 3.3Å; M2762-W2764 VanDerWaalsContact C-N 3.32Å; M2762-W2764 PolarHBondContact O-N 3.05Å; M2762-M2765 HydrophobicContact CG-CE 4.46Å; M2762-M2765 PolarHBondContact O-N 3.34Å; M2762-W2766 HydrophobicContact CB-CE3 3.91Å; M2762-W2766 HydrophobicContact CB-CZ3 3.64Å; M2762-W2766 HydrophobicContact CG-CE3 4.3Å; M2762-W2766 HydrophobicContact CG-CH2 4.29Å; M2762-W2766 HydrophobicContact CG-CZ3 3.55Å; M2762-W2766 VanDerWaalsContact CG-CZ3 3.44Å; M2762-W2766 VanDerWaalsContact O-CE3 3.31Å; M2762-W2766 PolarHBondContact O-N 3.24Å; M2762-W2766 VanDerWaalsContact O-N 3.15Å; M2762-W2766 HydrophobicContact SD-CH2 4.41Å; M2762-W2766 HydrophobicContact SD-CZ3 3.83Å
2763D92.5Very high92.4Very high11.3333 Ų11.333359.2 Ų59.26%0.06132%0.319CS..Hα-helixtrans-65.8-37-179.2-725.5000110.6R2659 L2663 R2759 N2760 T2767 W2776R2659-D2763 IonicContact CZ-OD1 2.74Å; R2659-D2763 VanDerWaalsContact CZ-OD1 3.27Å; R2659-D2763 IonicContact NE-OD1 3.43Å; R2659-D2763 PolarHBondContact NE-OD1 3.18Å; R2659-D2763 VanDerWaalsContact NH2-CG 3.29Å; R2659-D2763 IonicContact NH2-OD1 3.11Å; R2659-D2763 PolarHBondContact NH2-OD1 3.27Å; R2659-D2763 IonicContact NH2-OD2 3.36Å; R2659-D2763 PolarHBondContact NH2-OD2 3.23Å; R2659-D2763 VanDerWaalsContact NH2-OD2 3.08Å; L2663-D2763 WeakPolarHBondContact CD1-OD1 3.32Å; R2759-D2763 IonicContact CZ-OD2 3.1Å; R2759-D2763 IonicContact NE-OD2 3.39Å; R2759-D2763 PolarHBondContact NE-OD2 3.32Å; R2759-D2763 IonicContact NH2-OD2 2.74Å; R2759-D2763 PolarHBondContact NH2-OD2 2.9Å; R2759-D2763 VanDerWaalsContact NH2-OD2 3.16Å; R2759-D2763 VanDerWaalsContact O-CB 3.3Å; R2759-D2763 WeakPolarHBondContact O-CB 3.41Å; R2759-D2763 VanDerWaalsContact O-CG 3.29Å; R2759-D2763 PolarHBondContact O-N 2.86Å; N2760-D2763 PolarHBondContact O-N 3.4Å; D2763-T2767 WeakPolarHBondContact O-CB 3.23Å; D2763-T2767 PolarHBondContact O-N 3.26Å; D2763-T2767 VanDerWaalsContact O-N 3.14Å; D2763-T2767 PolarHBondContact O-OG1 3.15Å; D2763-W2776 HydrophobicContact CB-CZ2 3.94Å
2764W94Very high92.6Very high93 Ų9361.8 Ų61.835%0.35232%0.318SS..Hα-helixtrans-65.6-48.9170.4174.376.7000112.5N2760 V2761 M2762 W2766 T2767 L2771 L2773 W2776N2760-W2764 VanDerWaalsContact O-CB 3.3Å; N2760-W2764 WeakPolarHBondContact O-CB 3.4Å; N2760-W2764 PolarHBondContact O-N 3.01Å; V2761-W2764 PolarHBondContact O-N 3.08Å; M2762-W2764 VanDerWaalsContact C-N 3.32Å; M2762-W2764 PolarHBondContact O-N 3.05Å; W2764-W2766 VanDerWaalsContact C-N 3.28Å; W2764-W2766 PolarHBondContact O-N 3.25Å; W2764-W2766 VanDerWaalsContact O-N 3.17Å; W2764-T2767 PolarHBondContact O-N 2.92Å; W2764-L2771 PolarHBondContact NE1-O 3.23Å; W2764-L2771 VanDerWaalsContact NE1-O 3.17Å; W2764-L2773 HydrophobicContact CB-CD1 4.07Å; W2764-L2773 HydrophobicContact CD2-CB 4.01Å; W2764-L2773 HydrophobicContact CD2-CD1 3.84Å; W2764-L2773 HydrophobicContact CD2-CG 4.45Å; W2764-L2773 HydrophobicContact CE3-CB 4.3Å; W2764-L2773 HydrophobicContact CE3-CD1 3.93Å; W2764-L2773 HydrophobicContact CE3-CD2 4.44Å; W2764-L2773 HydrophobicContact CE3-CG 4.48Å; W2764-L2773 HydrophobicContact CG-CD1 3.9Å; W2764-L2773 HydrophobicContact CH2-CB 4.33Å; W2764-L2773 HydrophobicContact CZ2-CB 4.04Å; W2764-L2773 HydrophobicContact CZ3-CB 4.43Å; W2764-L2773 HydrophobicContact CZ3-CD2 4.43Å; W2764-W2776 HydrophobicContact CB-CD2 4.02Å; W2764-W2776 HydrophobicContact CB-CE3 4.34Å; W2764-W2776 HydrophobicContact CB-CG 4.01Å; W2764-W2776 HydrophobicContact CB-CZ2 4.47Å; W2764-W2776 AromaticContact CD1-CD2 4Å; W2764-W2776 AromaticContact CD1-CE3 3.86Å; W2764-W2776 AromaticContact CD1-CG 3.93Å; W2764-W2776 HydrophobicContact CG-CB 4.49Å; W2764-W2776 HydrophobicContact CG-CD2 4.34Å; W2764-W2776 HydrophobicContact CG-CE3 4.48Å; W2764-W2776 HydrophobicContact CG-CG 4.36Å
2765M93.5Very high92.8Very high102 Ų10258.1 Ų58.150%0.50230%0.302SS..Hα-helixtrans-62.6-32.5-174.5178175.755.500113.9V2761 M2762V2761-M2765 VanDerWaalsContact O-CB 3.31Å; V2761-M2765 WeakPolarHBondContact O-CB 3.33Å; V2761-M2765 PolarHBondContact O-N 3Å; M2762-M2765 HydrophobicContact CG-CE 4.46Å; M2762-M2765 PolarHBondContact O-N 3.34Å
2766W92Very high93Very high59.6667 Ų59.666756.9 Ų56.923%0.22630%0.295CS..Hα-helixtrans-107.4-5.6-177.5-70-55000115.2I2656 R2659 L2663 M2762 W2764I2656-W2766 HydrophobicContact CG2-CH2 3.74Å; I2656-W2766 HydrophobicContact CG2-CZ2 4.42Å; I2656-W2766 VanDerWaalsContact O-CH2 3.23Å; I2656-W2766 WeakPolarHBondContact O-CH2 3.4Å; R2659-W2766 HydrophobicContact CB-CZ3 4.11Å; R2659-W2766 HydrophobicContact CG-CE3 4.49Å; R2659-W2766 HydrophobicContact CG-CZ3 4.21Å; L2663-W2766 HydrophobicContact CB-CB 3.97Å; L2663-W2766 HydrophobicContact CD1-CB 3.96Å; L2663-W2766 HydrophobicContact CD1-CE3 3.9Å; M2762-W2766 HydrophobicContact CB-CE3 3.91Å; M2762-W2766 HydrophobicContact CB-CZ3 3.64Å; M2762-W2766 HydrophobicContact CG-CE3 4.3Å; M2762-W2766 HydrophobicContact CG-CH2 4.29Å; M2762-W2766 HydrophobicContact CG-CZ3 3.55Å; M2762-W2766 VanDerWaalsContact CG-CZ3 3.44Å; M2762-W2766 VanDerWaalsContact O-CE3 3.31Å; M2762-W2766 PolarHBondContact O-N 3.24Å; M2762-W2766 VanDerWaalsContact O-N 3.15Å; M2762-W2766 HydrophobicContact SD-CH2 4.41Å; M2762-W2766 HydrophobicContact SD-CZ3 3.83Å; W2764-W2766 VanDerWaalsContact C-N 3.28Å; W2764-W2766 PolarHBondContact O-N 3.25Å; W2764-W2766 VanDerWaalsContact O-N 3.17Å
2767T90.5Very high93.2Very high27 Ų2758.1 Ų58.117%0.16630%0.303CS..SBendtrans-98.3127.9173.5-53.40000110.1L2730 D2763 W2764 S2769 W2776 R3177L2730-T2767 HydrophobicContact CD2-CG2 4.01Å; D2763-T2767 WeakPolarHBondContact O-CB 3.23Å; D2763-T2767 PolarHBondContact O-N 3.26Å; D2763-T2767 VanDerWaalsContact O-N 3.14Å; D2763-T2767 PolarHBondContact O-OG1 3.15Å; W2764-T2767 PolarHBondContact O-N 2.92Å; T2767-S2769 PolarHBondContact O-N 3.36Å; T2767-S2769 VanDerWaalsContact O-N 3.16Å; T2767-W2776 HydrophobicContact CG2-CH2 4.45Å; T2767-R3177 HydrophobicContact CG2-CG 3.84Å
2768S91.2Very high93.3Very high96.3333 Ų96.333357.2 Ų57.267%0.67430%0.298SS*.  trans-63.5109.1169.9-54.30000110.4
2769S91.5Very high93.4Very high34.3333 Ų34.333355.1 Ų55.124%0.2429%0.287CS..  trans-140.4150.9-178.7-179.90000110.1T2767 L2771 E3185T2767-S2769 PolarHBondContact O-N 3.36Å; T2767-S2769 VanDerWaalsContact O-N 3.16Å; S2769-L2771 VanDerWaalsContact C-N 3.29Å; S2769-L2771 WeakPolarHBondContact OG-CD1 3.42Å; S2769-L2771 PolarHBondContact OG-N 3.12Å; S2769-E3185 WeakPolarHBondContact CA-OE2 3.46Å; S2769-E3185 PolarHBondContact OG-OE1 2.95Å; S2769-E3185 PolarHBondContact OG-OE2 3.01Å; S2769-E3185 VanDerWaalsContact OG-OE2 3.07Å
2770A93.8Very high93.5Very high70.6667 Ų70.666754.3 Ų54.358%0.58429%0.285SS*.SBendtrans-83.7-9.1172.800000113.1L3182 E3185A2770-L3182 HydrophobicContact CB-CB 4.2Å; A2770-E3185 PolarHBondContact N-OE2 3.3Å; A2770-E3185 VanDerWaalsContact N-OE2 3.15Å
2771L93.8Very high93.6Very high32.3333 Ų32.333357.1 Ų57.117%0.16930%0.3CS..SBendtrans-81.1140.2-173.4-62.1148.5000112.1W2764 S2769 H2775 W2776 L2779 R3177 E3185 V3189W2764-L2771 PolarHBondContact NE1-O 3.23Å; W2764-L2771 VanDerWaalsContact NE1-O 3.17Å; S2769-L2771 VanDerWaalsContact C-N 3.29Å; S2769-L2771 WeakPolarHBondContact OG-CD1 3.42Å; S2769-L2771 PolarHBondContact OG-N 3.12Å; L2771-H2775 HydrophobicContact CB-CB 4.46Å; L2771-H2775 HydrophobicContact CD2-CB 4.3Å; L2771-W2776 HydrophobicContact CB-CE3 4.48Å; L2771-L2779 HydrophobicContact CD1-CD2 4.15Å; L2771-L2779 HydrophobicContact CD2-CD1 4.16Å; L2771-R3177 VanDerWaalsContact CD1-NH2 3.3Å; L2771-E3185 HydrophobicContact CD1-CG 4.39Å; L2771-E3185 HydrophobicContact CG-CG 4.47Å; L2771-V3189 HydrophobicContact CD1-CG2 3.95Å; L2771-V3189 HydrophobicContact CD2-CB 4.09Å; L2771-V3189 HydrophobicContact CD2-CG1 3.82Å; L2771-V3189 HydrophobicContact CD2-CG2 4.03Å
2772S94.7Very high93.6Very high54.6667 Ų54.666755.8 Ų55.838%0.38229%0.293SS..  trans-64155.5163.171.90000110.4Y2774 H2775 W2776S2772-Y2774 PolarHBondContact O-N 3.23Å; S2772-Y2774 VanDerWaalsContact O-N 3.15Å; S2772-H2775 PolarHBondContact O-N 2.85Å; S2772-H2775 VanDerWaalsContact O-N 3.16Å; S2772-H2775 PolarHBondContact OG-CD2 3.24Å; S2772-H2775 PolarHBondContact OG-N 3.03Å; S2772-W2776 WeakPolarHBondContact O-CB 3.24Å; S2772-W2776 PolarHBondContact O-N 3.36Å
2773L93.9Very high93.7Very high57 Ų5755.6 Ų55.630%0.29829%0.29SS..Hα-helixtrans-55.4-34.8177178.862.1000112V2761 W2764 W2776 M2777V2761-L2773 HydrophobicContact CG2-CD1 4.26Å; V2761-L2773 HydrophobicContact CG2-CD2 4.44Å; W2764-L2773 HydrophobicContact CB-CD1 4.07Å; W2764-L2773 HydrophobicContact CD2-CB 4.01Å; W2764-L2773 HydrophobicContact CD2-CD1 3.84Å; W2764-L2773 HydrophobicContact CD2-CG 4.45Å; W2764-L2773 HydrophobicContact CE3-CB 4.3Å; W2764-L2773 HydrophobicContact CE3-CD1 3.93Å; W2764-L2773 HydrophobicContact CE3-CD2 4.44Å; W2764-L2773 HydrophobicContact CE3-CG 4.48Å; W2764-L2773 HydrophobicContact CG-CD1 3.9Å; W2764-L2773 HydrophobicContact CH2-CB 4.33Å; W2764-L2773 HydrophobicContact CZ2-CB 4.04Å; W2764-L2773 HydrophobicContact CZ3-CB 4.43Å; W2764-L2773 HydrophobicContact CZ3-CD2 4.43Å; L2773-W2776 WeakPolarHBondContact O-CB 3.31Å; L2773-W2776 PolarHBondContact O-N 3.17Å; L2773-M2777 HydrophobicContact CD1-CG 4.25Å; L2773-M2777 HydrophobicContact CD1-SD 4.29Å; L2773-M2777 HydrophobicContact CG-CE 4.17Å; L2773-M2777 HydrophobicContact CG-CG 4.48Å; L2773-M2777 HydrophobicContact CG-SD 4.27Å; L2773-M2777 VanDerWaalsContact O-CG 3.24Å; L2773-M2777 WeakPolarHBondContact O-CG 3.41Å; L2773-M2777 PolarHBondContact O-N 3.22Å
2774Y94.8Very high93.7Very high154.667 Ų154.66755.4 Ų55.461%0.60729%0.29SS*.Hα-helixtrans-62.5-52.9176.9-179.2-97000111.9S2772 W2776 M2777 E2778S2772-Y2774 PolarHBondContact O-N 3.23Å; S2772-Y2774 VanDerWaalsContact O-N 3.15Å; Y2774-W2776 VanDerWaalsContact C-N 3.29Å; Y2774-W2776 PolarHBondContact O-N 3.39Å; Y2774-M2777 WeakPolarHBondContact O-CB 3.41Å; Y2774-M2777 PolarHBondContact O-N 3.08Å; Y2774-M2777 VanDerWaalsContact O-N 3.11Å; Y2774-E2778 HydrophobicContact CD1-CG 4.44Å; Y2774-E2778 HydrophobicContact CE1-CG 4Å; Y2774-E2778 WeakPolarHBondContact CE1-OE1 3.36Å; Y2774-E2778 VanDerWaalsContact CE1-OE2 3.29Å; Y2774-E2778 WeakPolarHBondContact CE1-OE2 3.27Å; Y2774-E2778 WeakPolarHBondContact O-CB 3.23Å; Y2774-E2778 PolarHBondContact O-N 3.34Å; Y2774-E2778 PolarHBondContact OH-OE1 3.17Å
2775H95.8Very high93.7Very high81.6667 Ų81.666756.3 Ų56.338%0.37830%0.296SS..Hα-helixtrans-67.8-27.9178.1-64-44.9000113L2771 S2772 E2778 L2779 F3193L2771-H2775 HydrophobicContact CB-CB 4.46Å; L2771-H2775 HydrophobicContact CD2-CB 4.3Å; S2772-H2775 PolarHBondContact O-N 2.85Å; S2772-H2775 VanDerWaalsContact O-N 3.16Å; S2772-H2775 PolarHBondContact OG-CD2 3.24Å; S2772-H2775 PolarHBondContact OG-N 3.03Å; H2775-E2778 IonicContact CE1-OE2 3.25Å; H2775-E2778 IonicContact CG-OE2 3.61Å; H2775-E2778 IonicContact ND1-OE2 3.46Å; H2775-E2778 PolarHBondContact ND1-OE2 3.28Å; H2775-L2779 VanDerWaalsContact O-CB 3.28Å; H2775-L2779 WeakPolarHBondContact O-CB 3.39Å; H2775-L2779 PolarHBondContact O-N 3.34Å; H2775-L2779 VanDerWaalsContact O-N 3.1Å; H2775-F3193 HydrophobicContact CB-CE2 4.11Å; H2775-F3193 HydrophobicContact CB-CZ 4.21Å; H2775-F3193 AromaticContact ND1-CE2 3.63Å
2776W94.9Very high93.7Very high8.66667 Ų8.6666753 Ų533%0.03328%0.281CS..Hα-helixtrans-64.4-46.5170.6-176.8-80.3000111.7N2760 D2763 W2764 T2767 L2771 S2772 L2773 Y2774 E2778 L2779 E2780 R3177N2760-W2776 PolarHBondContact O-NE1 3.28Å; D2763-W2776 HydrophobicContact CB-CZ2 3.94Å; W2764-W2776 HydrophobicContact CB-CD2 4.02Å; W2764-W2776 HydrophobicContact CB-CE3 4.34Å; W2764-W2776 HydrophobicContact CB-CG 4.01Å; W2764-W2776 HydrophobicContact CB-CZ2 4.47Å; W2764-W2776 AromaticContact CD1-CD2 4Å; W2764-W2776 AromaticContact CD1-CE3 3.86Å; W2764-W2776 AromaticContact CD1-CG 3.93Å; W2764-W2776 HydrophobicContact CG-CB 4.49Å; W2764-W2776 HydrophobicContact CG-CD2 4.34Å; W2764-W2776 HydrophobicContact CG-CE3 4.48Å; W2764-W2776 HydrophobicContact CG-CG 4.36Å; T2767-W2776 HydrophobicContact CG2-CH2 4.45Å; L2771-W2776 HydrophobicContact CB-CE3 4.48Å; S2772-W2776 WeakPolarHBondContact O-CB 3.24Å; S2772-W2776 PolarHBondContact O-N 3.36Å; L2773-W2776 WeakPolarHBondContact O-CB 3.31Å; L2773-W2776 PolarHBondContact O-N 3.17Å; Y2774-W2776 VanDerWaalsContact C-N 3.29Å; Y2774-W2776 PolarHBondContact O-N 3.39Å; W2776-E2778 PolarHBondContact O-N 3.23Å; W2776-L2779 PolarHBondContact O-N 3.18Å; W2776-E2780 WeakPolarHBondContact O-CG 3.39Å; W2776-E2780 PolarHBondContact O-N 3.26Å; W2776-R3177 VanDerWaalsContact CZ3-NE 3.3Å
2777M94.6Very high93.8Very high55.3333 Ų55.333350.3 Ų50.327%0.27327%0.27SS..Hα-helixtrans-65-40.2177-70.1-96.2-64.900112.1Y2756 E2757 N2760 L2773 Y2774 L2779 E2780 D2781Y2756-M2777 HydrophobicContact CE1-CE 4.47Å; E2757-M2777 WeakPolarHBondContact OE2-CE 3.12Å; N2760-M2777 HydrophobicContact CB-CE 4.46Å; N2760-M2777 HydrophobicContact CB-CG 4.43Å; N2760-M2777 HydrophobicContact CB-SD 3.35Å; N2760-M2777 WeakPolarHBondContact CB-SD 3.36Å; N2760-M2777 PolarHBondContact ND2-SD 3.15Å; L2773-M2777 HydrophobicContact CD1-CG 4.25Å; L2773-M2777 HydrophobicContact CD1-SD 4.29Å; L2773-M2777 HydrophobicContact CG-CE 4.17Å; L2773-M2777 HydrophobicContact CG-CG 4.48Å; L2773-M2777 HydrophobicContact CG-SD 4.27Å; L2773-M2777 VanDerWaalsContact O-CG 3.24Å; L2773-M2777 WeakPolarHBondContact O-CG 3.41Å; L2773-M2777 PolarHBondContact O-N 3.22Å; Y2774-M2777 WeakPolarHBondContact O-CB 3.41Å; Y2774-M2777 PolarHBondContact O-N 3.08Å; Y2774-M2777 VanDerWaalsContact O-N 3.11Å; M2777-L2779 VanDerWaalsContact C-N 3.34Å; M2777-L2779 PolarHBondContact O-N 2.91Å; M2777-E2780 PolarHBondContact O-N 3.3Å; M2777-D2781 WeakPolarHBondContact O-CB 3.33Å; M2777-D2781 PolarHBondContact O-N 3.14Å
2778E94.7Very high94Very high70.6667 Ų70.666750.4 Ų50.433%0.3327%0.27SS..Hα-helixtrans-58.8-44.6173.4-100.8178.9156.600111.8Y2774 H2775 W2776 D2781 V2782 F3193Y2774-E2778 HydrophobicContact CD1-CG 4.44Å; Y2774-E2778 HydrophobicContact CE1-CG 4Å; Y2774-E2778 WeakPolarHBondContact CE1-OE1 3.36Å; Y2774-E2778 VanDerWaalsContact CE1-OE2 3.29Å; Y2774-E2778 WeakPolarHBondContact CE1-OE2 3.27Å; Y2774-E2778 WeakPolarHBondContact O-CB 3.23Å; Y2774-E2778 PolarHBondContact O-N 3.34Å; Y2774-E2778 PolarHBondContact OH-OE1 3.17Å; H2775-E2778 IonicContact CE1-OE2 3.25Å; H2775-E2778 IonicContact CG-OE2 3.61Å; H2775-E2778 IonicContact ND1-OE2 3.46Å; H2775-E2778 PolarHBondContact ND1-OE2 3.28Å; W2776-E2778 PolarHBondContact O-N 3.23Å; E2778-D2781 PolarHBondContact O-N 2.99Å; E2778-V2782 WeakPolarHBondContact O-CB 3.29Å; E2778-V2782 VanDerWaalsContact O-CG2 3.32Å; E2778-V2782 WeakPolarHBondContact O-CG2 3.37Å; E2778-V2782 PolarHBondContact O-N 3.22Å; E2778-F3193 HydrophobicContact CB-CE1 3.97Å; E2778-F3193 HydrophobicContact CB-CZ 3.95Å
2779L94.3Very high94.1Very high24.3333 Ų24.333347.9 Ų47.913%0.12725%0.248CC..Hα-helixtrans-64.2-45.1177.8177.6121.8000112.6L2771 H2775 W2776 M2777 D2781 V2782 Y2783 I3173 Y3174 V3189 L3192L2771-L2779 HydrophobicContact CD1-CD2 4.15Å; L2771-L2779 HydrophobicContact CD2-CD1 4.16Å; H2775-L2779 VanDerWaalsContact O-CB 3.28Å; H2775-L2779 WeakPolarHBondContact O-CB 3.39Å; H2775-L2779 PolarHBondContact O-N 3.34Å; H2775-L2779 VanDerWaalsContact O-N 3.1Å; W2776-L2779 PolarHBondContact O-N 3.18Å; M2777-L2779 VanDerWaalsContact C-N 3.34Å; M2777-L2779 PolarHBondContact O-N 2.91Å; L2779-D2781 VanDerWaalsContact C-N 3.35Å; L2779-V2782 PolarHBondContact O-N 2.97Å; L2779-Y2783 WeakPolarHBondContact O-CB 3.4Å; L2779-Y2783 PolarHBondContact O-N 3.32Å; L2779-I3173 HydrophobicContact CD1-CD1 3.87Å; L2779-I3173 HydrophobicContact CD1-CG2 4.47Å; L2779-I3173 HydrophobicContact CD2-CG2 3.8Å; L2779-Y3174 HydrophobicContact CD2-CE1 4.48Å; L2779-V3189 HydrophobicContact CD2-CG2 4.47Å; L2779-L3192 HydrophobicContact CD1-CD2 3.38Å
2780E93.6Very high94.3Very high18.3333 Ų18.333348.7 Ų48.79%0.08625%0.247CC..Hα-helixtrans-68.2-33.2178.6-74.2-66.5151.100112.4Y2756 R2759 W2776 M2777 S2784 Y3174Y2756-E2780 VanDerWaalsContact OH-C 3.31Å; Y2756-E2780 PolarHBondContact OH-O 3.06Å; R2759-E2780 IonicContact NH2-OE1 3.98Å; W2776-E2780 WeakPolarHBondContact O-CG 3.39Å; W2776-E2780 PolarHBondContact O-N 3.26Å; M2777-E2780 PolarHBondContact O-N 3.3Å; E2780-S2784 VanDerWaalsContact O-CB 3.24Å; E2780-S2784 WeakPolarHBondContact O-CB 3.39Å; E2780-S2784 PolarHBondContact O-N 3.29Å; E2780-S2784 PolarHBondContact O-OG 2.9Å; E2780-Y3174 VanDerWaalsContact CD-OH 3.24Å; E2780-Y3174 WeakPolarHBondContact OE1-CE1 3.47Å; E2780-Y3174 PolarHBondContact OE1-OH 3.34Å; E2780-Y3174 PolarHBondContact OE2-OH 3.14Å
2781D94.1Very high94.3Very high60 Ų6045.4 Ų45.432%0.32122%0.22SC..Hα-helixtrans-67.4-47.3173.8173.746.7000111.2Y2756 M2777 E2778 L2779 Y2783 S2784 K2785Y2756-D2781 WeakPolarHBondContact OH-CA 3.37Å; Y2756-D2781 PolarHBondContact OH-N 3.29Å; Y2756-D2781 VanDerWaalsContact OH-N 3.13Å; M2777-D2781 WeakPolarHBondContact O-CB 3.33Å; M2777-D2781 PolarHBondContact O-N 3.14Å; E2778-D2781 PolarHBondContact O-N 2.99Å; L2779-D2781 VanDerWaalsContact C-N 3.35Å; D2781-Y2783 VanDerWaalsContact C-N 3.34Å; D2781-Y2783 PolarHBondContact O-N 3.08Å; D2781-S2784 PolarHBondContact O-N 3.26Å; D2781-S2784 VanDerWaalsContact O-N 3.13Å; D2781-S2784 PolarHBondContact O-OG 3.37Å; D2781-K2785 VanDerWaalsContact CG-NZ 3.32Å; D2781-K2785 WeakPolarHBondContact O-CB 3.4Å; D2781-K2785 WeakPolarHBondContact O-CG 3.24Å; D2781-K2785 PolarHBondContact O-N 3.22Å; D2781-K2785 WeakPolarHBondContact OD1-CD 3.47Å; D2781-K2785 WeakPolarHBondContact OD1-CE 3.45Å; D2781-K2785 IonicContact OD1-NZ 3.55Å; D2781-K2785 PolarHBondContact OD1-NZ 3.01Å; D2781-K2785 VanDerWaalsContact OD1-NZ 3.15Å; D2781-K2785 IonicContact OD2-NZ 3.31Å; D2781-K2785 PolarHBondContact OD2-NZ 3.3Å
2782V94.6Very high94.2Very high33 Ų3348.6 Ų48.620%0.223%0.23CC..Hα-helixtrans-56.4-48.1173.3164.90000111.1E2778 L2779 S2784 K2785 I2786 L3192 Y3196E2778-V2782 WeakPolarHBondContact O-CB 3.29Å; E2778-V2782 VanDerWaalsContact O-CG2 3.32Å; E2778-V2782 WeakPolarHBondContact O-CG2 3.37Å; E2778-V2782 PolarHBondContact O-N 3.22Å; L2779-V2782 PolarHBondContact O-N 2.97Å; V2782-S2784 VanDerWaalsContact C-N 3.34Å; V2782-S2784 PolarHBondContact O-N 2.97Å; V2782-K2785 PolarHBondContact O-N 3.1Å; V2782-I2786 HydrophobicContact CG1-CD1 3.69Å; V2782-I2786 HydrophobicContact CG1-CG1 4.45Å; V2782-I2786 WeakPolarHBondContact O-CB 3.37Å; V2782-I2786 VanDerWaalsContact O-CG1 3.31Å; V2782-I2786 WeakPolarHBondContact O-CG1 3.38Å; V2782-I2786 PolarHBondContact O-N 3.13Å; V2782-L3192 HydrophobicContact CG1-CD1 4.23Å; V2782-L3192 HydrophobicContact CG1-CD2 4.11Å; V2782-L3192 HydrophobicContact CG1-CG 4.49Å; V2782-Y3196 HydrophobicContact CB-CE2 4.44Å; V2782-Y3196 HydrophobicContact CG1-CD2 4.38Å; V2782-Y3196 HydrophobicContact CG1-CE2 3.48Å; V2782-Y3196 VanDerWaalsContact CG1-CE2 3.48Å; V2782-Y3196 WeakPolarHBondContact CG1-OH 3.32Å; V2782-Y3196 HydrophobicContact CG2-CD1 4.42Å; V2782-Y3196 HydrophobicContact CG2-CD2 4.41Å; V2782-Y3196 HydrophobicContact CG2-CE1 4.08Å; V2782-Y3196 HydrophobicContact CG2-CE2 4.08Å
2783Y94.3Very high94.2Very high22 Ų2249.3 Ų49.39%0.08622%0.224CC..Hα-helixtrans-59.7-43.8177.1179.6-104.7000112T2735 L2779 D2781 K2785 I2786 F2787 L3167 C3170 H3171 Y3174T2735-Y2783 VanDerWaalsContact CB-OH 3.32Å; T2735-Y2783 WeakPolarHBondContact CB-OH 3.3Å; T2735-Y2783 HydrophobicContact CG2-CE1 4Å; T2735-Y2783 PolarHBondContact OG1-OH 3.1Å; L2779-Y2783 WeakPolarHBondContact O-CB 3.4Å; L2779-Y2783 PolarHBondContact O-N 3.32Å; D2781-Y2783 VanDerWaalsContact C-N 3.34Å; D2781-Y2783 PolarHBondContact O-N 3.08Å; Y2783-K2785 PolarHBondContact O-N 3.2Å; Y2783-I2786 PolarHBondContact O-N 3.24Å; Y2783-F2787 WeakPolarHBondContact O-CB 3.39Å; Y2783-F2787 PolarHBondContact O-N 3.07Å; Y2783-L3167 HydrophobicContact CD2-CD1 4.06Å; Y2783-L3167 HydrophobicContact CE2-CD1 3.63Å; Y2783-C3170 HydrophobicContact CD2-CB 3.73Å; Y2783-C3170 HydrophobicContact CE2-CB 4.41Å; Y2783-H3171 AromaticContact CE2-CE1 3.84Å; Y2783-Y3174 HydrophobicContact CD1-CE2 4.35Å; Y2783-Y3174 AromaticContact CD2-CE2 3.83Å; Y2783-Y3174 HydrophobicContact CD2-CE2 3.83Å; Y2783-Y3174 HydrophobicContact CE1-CE2 4.39Å; Y2783-Y3174 AromaticContact CE2-CE2 3.86Å; Y2783-Y3174 HydrophobicContact CE2-CE2 3.86Å; Y2783-Y3174 HydrophobicContact CG-CE2 4.08Å
2784S93.1Very high94.1Very high7 Ų753.2 Ų53.25%0.04924%0.235CC..Hα-helixtrans-62.5-43179.5-38.20000112.5E2780 D2781 V2782 F2787 I2788E2780-S2784 VanDerWaalsContact O-CB 3.24Å; E2780-S2784 WeakPolarHBondContact O-CB 3.39Å; E2780-S2784 PolarHBondContact O-N 3.29Å; E2780-S2784 PolarHBondContact O-OG 2.9Å; D2781-S2784 PolarHBondContact O-N 3.26Å; D2781-S2784 VanDerWaalsContact O-N 3.13Å; D2781-S2784 PolarHBondContact O-OG 3.37Å; V2782-S2784 VanDerWaalsContact C-N 3.34Å; V2782-S2784 PolarHBondContact O-N 2.97Å; S2784-F2787 PolarHBondContact O-N 3.46Å; S2784-I2788 WeakPolarHBondContact O-CG1 3.41Å; S2784-I2788 PolarHBondContact O-N 2.92Å; S2784-I2788 VanDerWaalsContact O-N 3.15Å
2785K93.5Very high93.8Very high113.333 Ų113.33346.7 Ų46.749%0.49321%0.212SC..Hα-helixtrans-66-46.8176.7-74166.1175.5160.60111.8D2781 V2782 Y2783 F2787 I2788 L2789D2781-K2785 VanDerWaalsContact CG-NZ 3.32Å; D2781-K2785 WeakPolarHBondContact O-CB 3.4Å; D2781-K2785 WeakPolarHBondContact O-CG 3.24Å; D2781-K2785 PolarHBondContact O-N 3.22Å; D2781-K2785 WeakPolarHBondContact OD1-CD 3.47Å; D2781-K2785 WeakPolarHBondContact OD1-CE 3.45Å; D2781-K2785 IonicContact OD1-NZ 3.55Å; D2781-K2785 PolarHBondContact OD1-NZ 3.01Å; D2781-K2785 VanDerWaalsContact OD1-NZ 3.15Å; D2781-K2785 IonicContact OD2-NZ 3.31Å; D2781-K2785 PolarHBondContact OD2-NZ 3.3Å; V2782-K2785 PolarHBondContact O-N 3.1Å; Y2783-K2785 PolarHBondContact O-N 3.2Å; K2785-F2787 VanDerWaalsContact C-N 3.33Å; K2785-F2787 PolarHBondContact O-N 3.27Å; K2785-I2788 PolarHBondContact O-N 3.09Å; K2785-L2789 WeakPolarHBondContact O-CB 3.3Å; K2785-L2789 PolarHBondContact O-N 3.07Å; K2785-L2789 VanDerWaalsContact O-N 3.08Å
2786I94.7Very high93.5Very high33 Ų3347.9 Ų47.917%0.16922%0.218CC..Hα-helixtrans-62.6-40178-70.6-97.6000111.4V2782 Y2783 L2789 K2790 L3160 V3163 I3166 L3167 Y3196V2782-I2786 HydrophobicContact CG1-CD1 3.69Å; V2782-I2786 HydrophobicContact CG1-CG1 4.45Å; V2782-I2786 WeakPolarHBondContact O-CB 3.37Å; V2782-I2786 VanDerWaalsContact O-CG1 3.31Å; V2782-I2786 WeakPolarHBondContact O-CG1 3.38Å; V2782-I2786 PolarHBondContact O-N 3.13Å; Y2783-I2786 PolarHBondContact O-N 3.24Å; I2786-L2789 PolarHBondContact O-N 3.3Å; I2786-K2790 WeakPolarHBondContact O-CB 3.38Å; I2786-K2790 PolarHBondContact O-N 3.34Å; I2786-L3160 HydrophobicContact CD1-CD1 3.97Å; I2786-V3163 HydrophobicContact CD1-CB 4.31Å; I2786-V3163 HydrophobicContact CD1-CG1 4.1Å; I2786-V3163 HydrophobicContact CG2-CB 4.09Å; I2786-V3163 HydrophobicContact CG2-CG2 4.25Å; I2786-I3166 HydrophobicContact CD1-CB 4.43Å; I2786-I3166 HydrophobicContact CD1-CD1 4.25Å; I2786-I3166 HydrophobicContact CD1-CG2 4.06Å; I2786-I3166 HydrophobicContact CG1-CG2 3.94Å; I2786-L3167 HydrophobicContact CG2-CB 3.94Å; I2786-L3167 HydrophobicContact CG2-CD1 4.19Å; I2786-Y3196 WeakPolarHBondContact CD1-OH 3.33Å; I2786-Y3196 WeakPolarHBondContact CG1-OH 3.48Å
2787F93.8Very high93.3Very high2 Ų253.7 Ų53.71%0.00925%0.249CC..Hα-helixtrans-62-46.2176.1175.6-99.9000112.6T2735 Y2738 N2742 F2746 Y2783 S2784 K2785 L2789 K2790 C2791T2735-F2787 VanDerWaalsContact CB-CE2 3.5Å; T2735-F2787 HydrophobicContact CG2-CB 4.31Å; T2735-F2787 HydrophobicContact CG2-CD1 3.72Å; T2735-F2787 HydrophobicContact CG2-CD2 3.59Å; T2735-F2787 VanDerWaalsContact CG2-CD2 3.49Å; T2735-F2787 HydrophobicContact CG2-CE1 3.9Å; T2735-F2787 HydrophobicContact CG2-CE2 3.81Å; T2735-F2787 HydrophobicContact CG2-CG 3.55Å; T2735-F2787 VanDerWaalsContact CG2-CG 3.44Å; T2735-F2787 HydrophobicContact CG2-CZ 3.94Å; Y2738-F2787 AromaticContact CD1-CD2 3.92Å; Y2738-F2787 HydrophobicContact CD1-CD2 3.97Å; Y2738-F2787 AromaticContact CD1-CE2 3.61Å; Y2738-F2787 HydrophobicContact CD1-CE2 3.61Å; Y2738-F2787 AromaticContact CE1-CD2 3.76Å; Y2738-F2787 HydrophobicContact CE1-CD2 3.76Å; Y2738-F2787 AromaticContact CE1-CE2 3.73Å; Y2738-F2787 HydrophobicContact CE1-CE2 3.73Å; N2742-F2787 HydrophobicContact CB-CZ 4.44Å; F2746-F2787 HydrophobicContact CB-CD1 4.28Å; F2746-F2787 HydrophobicContact CB-CE1 3.76Å; F2746-F2787 AromaticContact CD1-CD1 3.55Å; F2746-F2787 HydrophobicContact CD1-CD1 3.55Å; F2746-F2787 VanDerWaalsContact CD1-CD1 3.46Å; F2746-F2787 AromaticContact CD1-CE1 3.89Å; F2746-F2787 HydrophobicContact CD1-CE1 3.94Å; F2746-F2787 HydrophobicContact CD2-CD1 4.14Å; F2746-F2787 HydrophobicContact CD2-CE1 4.17Å; F2746-F2787 AromaticContact CE1-CD1 3.79Å; F2746-F2787 HydrophobicContact CE1-CD1 3.79Å; F2746-F2787 HydrophobicContact CE1-CE1 4.46Å; F2746-F2787 HydrophobicContact CE2-CD1 4.36Å; F2746-F2787 AromaticContact CG-CD1 3.72Å; F2746-F2787 HydrophobicContact CG-CD1 3.72Å; F2746-F2787 AromaticContact CG-CE1 3.69Å; F2746-F2787 HydrophobicContact CG-CE1 3.69Å; F2746-F2787 HydrophobicContact CZ-CD1 4.2Å; Y2783-F2787 WeakPolarHBondContact O-CB 3.39Å; Y2783-F2787 PolarHBondContact O-N 3.07Å; S2784-F2787 PolarHBondContact O-N 3.46Å; K2785-F2787 VanDerWaalsContact C-N 3.33Å; K2785-F2787 PolarHBondContact O-N 3.27Å; F2787-L2789 VanDerWaalsContact C-N 3.32Å; F2787-L2789 PolarHBondContact O-N 2.98Å; F2787-K2790 PolarHBondContact O-N 3.18Å; F2787-C2791 VanDerWaalsContact CE2-SG 3.53Å; F2787-C2791 WeakPolarHBondContact CZ-SG 3.28Å; F2787-C2791 WeakPolarHBondContact O-CB 3.42Å; F2787-C2791 PolarHBondContact O-N 3.15Å; F2787-C2791 PolarHBondContact O-SG 3.24Å; F2787-C2791 VanDerWaalsContact O-SG 3.41Å
2788I94.2Very high93Very high29.6667 Ų29.666753.7 Ų53.715%0.15226%0.257CS..Hα-helixtrans-60.1-44.9177.1-70.9167.4000110.3L2743 F2746 K2747 L2750 S2784 K2785 C2791 W2792L2743-I2788 HydrophobicContact CD1-CB 4.35Å; L2743-I2788 HydrophobicContact CD1-CG1 4.44Å; L2743-I2788 HydrophobicContact CD1-CG2 3.95Å; F2746-I2788 HydrophobicContact CD1-CD1 4.03Å; F2746-I2788 HydrophobicContact CD1-CG1 3.72Å; F2746-I2788 HydrophobicContact CE1-CD1 3.99Å; F2746-I2788 HydrophobicContact CE1-CG1 3.89Å; K2747-I2788 HydrophobicContact CG-CD1 4.27Å; K2747-I2788 HydrophobicContact CG-CG1 4.49Å; L2750-I2788 HydrophobicContact CD1-CD1 3.94Å; S2784-I2788 WeakPolarHBondContact O-CG1 3.41Å; S2784-I2788 PolarHBondContact O-N 2.92Å; S2784-I2788 VanDerWaalsContact O-N 3.15Å; K2785-I2788 PolarHBondContact O-N 3.09Å; I2788-C2791 WeakPolarHBondContact O-CB 3.29Å; I2788-C2791 PolarHBondContact O-N 3.15Å; I2788-W2792 VanDerWaalsContact O-CD1 3.25Å; I2788-W2792 PolarHBondContact O-N 2.88Å; I2788-W2792 VanDerWaalsContact O-N 3.08Å
2789L94.2Very high92.7Very high43.3333 Ų43.333356.2 Ų56.223%0.22727%0.265CS..Hα-helixtrans-64.4-43.5178.8-176.152.5000112.1K2785 I2786 F2787 C2791 W2792 R2793 E3158 L3160 V3163K2785-L2789 WeakPolarHBondContact O-CB 3.3Å; K2785-L2789 PolarHBondContact O-N 3.07Å; K2785-L2789 VanDerWaalsContact O-N 3.08Å; I2786-L2789 PolarHBondContact O-N 3.3Å; F2787-L2789 VanDerWaalsContact C-N 3.32Å; F2787-L2789 PolarHBondContact O-N 2.98Å; L2789-C2791 VanDerWaalsContact C-N 3.29Å; L2789-C2791 PolarHBondContact O-N 3.05Å; L2789-W2792 PolarHBondContact O-N 3.36Å; L2789-W2792 VanDerWaalsContact O-N 3.16Å; L2789-R2793 HydrophobicContact CD1-CG 4.35Å; L2789-R2793 WeakPolarHBondContact O-CG 3.35Å; L2789-R2793 PolarHBondContact O-N 3.2Å; L2789-E3158 WeakPolarHBondContact CD1-O 3.35Å; L2789-E3158 WeakPolarHBondContact CD2-O 3.49Å; L2789-L3160 HydrophobicContact CD2-CB 3.71Å; L2789-L3160 HydrophobicContact CD2-CD1 4.17Å; L2789-L3160 HydrophobicContact CD2-CG 4.07Å; L2789-V3163 HydrophobicContact CD2-CG1 3.67Å; L2789-V3163 HydrophobicContact CG-CG1 3.92Å
2790K94.3Very high92.3Very high51.3333 Ų51.333359.8 Ų59.822%0.22329%0.289CS..Hα-helixtrans-59.3-39.5175.4-175.888.8172.6176.90112Y2738 I2786 F2787 R2793 R2794 V3163 D3164 L3167Y2738-K2790 HydrophobicContact CD1-CB 4.21Å; Y2738-K2790 HydrophobicContact CD1-CD 4.02Å; Y2738-K2790 HydrophobicContact CD1-CG 3.59Å; Y2738-K2790 VanDerWaalsContact CD1-CG 3.44Å; Y2738-K2790 HydrophobicContact CD2-CG 4.46Å; Y2738-K2790 HydrophobicContact CE1-CB 4.4Å; Y2738-K2790 HydrophobicContact CE1-CD 3.56Å; Y2738-K2790 HydrophobicContact CE1-CG 3.76Å; Y2738-K2790 HydrophobicContact CE2-CD 4.12Å; Y2738-K2790 VanDerWaalsContact CE2-CE 3.49Å; Y2738-K2790 HydrophobicContact CG-CG 4.03Å; Y2738-K2790 PolarHBondContact OH-NZ 3.15Å; I2786-K2790 WeakPolarHBondContact O-CB 3.38Å; I2786-K2790 PolarHBondContact O-N 3.34Å; F2787-K2790 PolarHBondContact O-N 3.18Å; K2790-R2793 PolarHBondContact O-N 3.43Å; K2790-R2794 WeakPolarHBondContact O-CB 3.38Å; K2790-R2794 PolarHBondContact O-N 3.07Å; K2790-V3163 HydrophobicContact CB-CG2 3.7Å; K2790-V3163 HydrophobicContact CD-CG2 3.99Å; K2790-V3163 HydrophobicContact CG-CG2 4.38Å; K2790-D3164 VanDerWaalsContact CD-OD1 3.27Å; K2790-D3164 WeakPolarHBondContact CD-OD1 3.45Å; K2790-D3164 WeakPolarHBondContact CE-OD1 3.23Å; K2790-D3164 IonicContact NZ-OD1 3.97Å; K2790-D3164 PolarHBondContact NZ-OD1 3.01Å; K2790-D3164 IonicContact NZ-OD2 2.68Å; K2790-D3164 PolarHBondContact NZ-OD2 3.29Å; K2790-L3167 HydrophobicContact CB-CD2 4.26Å; K2790-L3167 HydrophobicContact CD-CD2 4.43Å; K2790-L3167 HydrophobicContact CG-CD2 3.87Å
2791C93.5Very high91.8Very high1 Ų164.5 Ų64.51%0.00732%0.319CS..Hα-helixtrans-67.1-40175.3-72.30000113Y2738 L2743 F2787 I2788 L2789 R2794 S2795Y2738-C2791 VanDerWaalsContact CA-SG 3.59Å; L2743-C2791 HydrophobicContact CB-CB 3.87Å; L2743-C2791 HydrophobicContact CD1-CB 3.68Å; L2743-C2791 HydrophobicContact CG-CB 4.23Å; F2787-C2791 VanDerWaalsContact CE2-SG 3.53Å; F2787-C2791 WeakPolarHBondContact CZ-SG 3.28Å; F2787-C2791 WeakPolarHBondContact O-CB 3.42Å; F2787-C2791 PolarHBondContact O-N 3.15Å; F2787-C2791 PolarHBondContact O-SG 3.24Å; F2787-C2791 VanDerWaalsContact O-SG 3.41Å; I2788-C2791 WeakPolarHBondContact O-CB 3.29Å; I2788-C2791 PolarHBondContact O-N 3.15Å; L2789-C2791 VanDerWaalsContact C-N 3.29Å; L2789-C2791 PolarHBondContact O-N 3.05Å; C2791-R2794 PolarHBondContact O-N 3.12Å; C2791-S2795 PolarHBondContact O-N 3.04Å; C2791-S2795 PolarHBondContact O-OG 3.01Å
2792W93.4Very high91.4Very high99.6667 Ų99.666765.3 Ų65.338%0.37833%0.328SS..Hα-helixtrans-61.6-50172.4-79.4118.4000111.6Y2740 L2743 I2788 L2789 R2794 S2795 E2796Y2740-W2792 HydrophobicContact CE2-CH2 4.35Å; Y2740-W2792 HydrophobicContact CE2-CZ3 4.17Å; L2743-W2792 HydrophobicContact CD1-CD2 3.82Å; L2743-W2792 HydrophobicContact CD1-CE3 4.25Å; L2743-W2792 HydrophobicContact CD1-CG 3.96Å; L2743-W2792 HydrophobicContact CD1-CZ2 4.3Å; L2743-W2792 HydrophobicContact CD2-CD2 4.07Å; L2743-W2792 HydrophobicContact CD2-CE3 4.48Å; L2743-W2792 HydrophobicContact CD2-CH2 4.48Å; L2743-W2792 HydrophobicContact CD2-CZ2 4.23Å; I2788-W2792 VanDerWaalsContact O-CD1 3.25Å; I2788-W2792 PolarHBondContact O-N 2.88Å; I2788-W2792 VanDerWaalsContact O-N 3.08Å; L2789-W2792 PolarHBondContact O-N 3.36Å; L2789-W2792 VanDerWaalsContact O-N 3.16Å; W2792-R2794 VanDerWaalsContact C-N 3.32Å; W2792-R2794 PolarHBondContact O-N 3.31Å; W2792-S2795 WeakPolarHBondContact O-CA 3.41Å; W2792-S2795 WeakPolarHBondContact O-CB 3.33Å; W2792-S2795 PolarHBondContact O-N 3.27Å; W2792-S2795 VanDerWaalsContact O-N 3.13Å; W2792-S2795 PolarHBondContact O-OG 3.21Å; W2792-E2796 WeakPolarHBondContact O-CG 3.36Å; W2792-E2796 PolarHBondContact O-N 3.2Å
2793R93.8Very high91Very high68.6667 Ų68.666775.6 Ų75.626%0.25936%0.363SS..Hα-helixtrans-56.9-39.3176.1-63.6-61.7-177.1-169.3-0.4112.1L2789 K2790 S2795 E2796 L2797 E3159 L3160L2789-R2793 HydrophobicContact CD1-CG 4.35Å; L2789-R2793 WeakPolarHBondContact O-CG 3.35Å; L2789-R2793 PolarHBondContact O-N 3.2Å; K2790-R2793 PolarHBondContact O-N 3.43Å; R2793-S2795 VanDerWaalsContact C-N 3.32Å; R2793-S2795 PolarHBondContact O-N 2.9Å; R2793-E2796 WeakPolarHBondContact CD-OE2 3.33Å; R2793-E2796 IonicContact CZ-OE2 3.85Å; R2793-E2796 IonicContact NE-OE2 2.94Å; R2793-E2796 IonicContact NH1-OE1 3.52Å; R2793-E2796 PolarHBondContact NH1-OE1 3.17Å; R2793-E2796 IonicContact NH1-OE2 2.7Å; R2793-E2796 PolarHBondContact NH1-OE2 3.21Å; R2793-E2796 PolarHBondContact O-N 3.03Å; R2793-L2797 VanDerWaalsContact O-CD1 3.32Å; R2793-L2797 WeakPolarHBondContact O-CD1 3.35Å; R2793-L2797 VanDerWaalsContact O-CG 3.29Å; R2793-L2797 WeakPolarHBondContact O-CG 3.36Å; R2793-L2797 PolarHBondContact O-N 3.09Å; R2793-L2797 VanDerWaalsContact O-N 3.15Å; R2793-E3159 IonicContact CZ-OE2 2.66Å; R2793-E3159 IonicContact NH1-OE2 2.78Å; R2793-E3159 IonicContact NH2-OE2 3.71Å; R2793-E3159 PolarHBondContact NH2-OE2 3.13Å; R2793-L3160 PolarHBondContact NE-O 2.9Å; R2793-L3160 PolarHBondContact NH2-O 2.84Å
2794R91.8Very high90.7Very high140.333 Ų140.33378.8 Ų78.853%0.5340%0.403SS..Hα-helixtrans-67.9-36.2175.9-176.956.9175.7175.20.5112.7Y2738 K2790 C2791 W2792 L2797 A2798Y2738-R2794 VanDerWaalsContact O-CG 3.25Å; Y2738-R2794 WeakPolarHBondContact O-CG 3.28Å; K2790-R2794 WeakPolarHBondContact O-CB 3.38Å; K2790-R2794 PolarHBondContact O-N 3.07Å; C2791-R2794 PolarHBondContact O-N 3.12Å; W2792-R2794 VanDerWaalsContact C-N 3.32Å; W2792-R2794 PolarHBondContact O-N 3.31Å; R2794-L2797 PolarHBondContact O-N 3.16Å; R2794-A2798 WeakPolarHBondContact O-CB 3.39Å; R2794-A2798 PolarHBondContact O-N 3.42Å; R2794-A2798 VanDerWaalsContact O-N 3.1Å
2795S89Confident90.3Very high16.3333 Ų16.333385.1 Ų85.111%0.11443%0.432CS..Hα-helixtrans-71.7-36.4176.172.90000112.5C2791 W2792 R2793 L2797 A2798 Y2799C2791-S2795 PolarHBondContact O-N 3.04Å; C2791-S2795 PolarHBondContact O-OG 3.01Å; W2792-S2795 WeakPolarHBondContact O-CA 3.41Å; W2792-S2795 WeakPolarHBondContact O-CB 3.33Å; W2792-S2795 PolarHBondContact O-N 3.27Å; W2792-S2795 VanDerWaalsContact O-N 3.13Å; W2792-S2795 PolarHBondContact O-OG 3.21Å; R2793-S2795 VanDerWaalsContact C-N 3.32Å; R2793-S2795 PolarHBondContact O-N 2.9Å; S2795-L2797 VanDerWaalsContact C-N 3.33Å; S2795-L2797 PolarHBondContact O-N 3.1Å; S2795-A2798 PolarHBondContact O-N 3.13Å; S2795-Y2799 WeakPolarHBondContact O-CD2 3.35Å; S2795-Y2799 PolarHBondContact O-N 3.03Å
2796E89.5Confident90Very high107.667 Ų107.66786.7 Ų86.750%0.50345%0.446SS..Hα-helixtrans-61.9-39.7172.6-69.5175.5153.300112W2792 R2793 Y2799 P2800W2792-E2796 WeakPolarHBondContact O-CG 3.36Å; W2792-E2796 PolarHBondContact O-N 3.2Å; R2793-E2796 WeakPolarHBondContact CD-OE2 3.33Å; R2793-E2796 IonicContact CZ-OE2 3.85Å; R2793-E2796 IonicContact NE-OE2 2.94Å; R2793-E2796 IonicContact NH1-OE1 3.52Å; R2793-E2796 PolarHBondContact NH1-OE1 3.17Å; R2793-E2796 IonicContact NH1-OE2 2.7Å; R2793-E2796 PolarHBondContact NH1-OE2 3.21Å; R2793-E2796 PolarHBondContact O-N 3.03Å; E2796-Y2799 CarbonylContact O-C 3.57Å; E2796-P2800 WeakPolarHBondContact O-CA 3.29Å
2797L89.8Confident89.5Confident131.667 Ų131.66794.6 Ų94.669%0.68947%0.473SS*.Hα-helixtrans-69.3-35.7174.8-74.6162.6000113.1R2793 R2794 S2795R2793-L2797 VanDerWaalsContact O-CD1 3.32Å; R2793-L2797 WeakPolarHBondContact O-CD1 3.35Å; R2793-L2797 VanDerWaalsContact O-CG 3.29Å; R2793-L2797 WeakPolarHBondContact O-CG 3.36Å; R2793-L2797 PolarHBondContact O-N 3.09Å; R2793-L2797 VanDerWaalsContact O-N 3.15Å; R2794-L2797 PolarHBondContact O-N 3.16Å; S2795-L2797 VanDerWaalsContact C-N 3.33Å; S2795-L2797 PolarHBondContact O-N 3.1Å
2798A89.1Confident89.2Confident54 Ų5498.1 Ų98.145%0.44649%0.492SS..Hα-helixtrans-78.3-31.6179.800000113R2794 S2795 P2800R2794-A2798 WeakPolarHBondContact O-CB 3.39Å; R2794-A2798 PolarHBondContact O-N 3.42Å; R2794-A2798 VanDerWaalsContact O-N 3.1Å; S2795-A2798 PolarHBondContact O-N 3.13Å; A2798-P2800 VanDerWaalsContact C-CD 3.45Å; A2798-P2800 WeakPolarHBondContact O-CD 3.37Å
2799Y87.3Confident88.9Confident124.333 Ų124.333101.8 Ų101.849%0.48852%0.516SS..SBendtrans-125.365.8-177.6-55.6-71.6000111A1926 S2795 E2796 T2801A1926-Y2799 HydrophobicContact CB-CE1 3.74Å; S2795-Y2799 WeakPolarHBondContact O-CD2 3.35Å; S2795-Y2799 PolarHBondContact O-N 3.03Å; E2796-Y2799 CarbonylContact O-C 3.57Å; Y2799-T2801 PolarHBondContact O-N 2.77Å
2800P86.5Confident88.7Confident99.3333 Ų99.3333102.7 Ų102.765%0.64553%0.527SS*.PPolyproline II helixtrans-61.8126.5-175.225.6-34.8000111E2796 A2798E2796-P2800 WeakPolarHBondContact O-CA 3.29Å; A2798-P2800 VanDerWaalsContact C-CD 3.45Å; A2798-P2800 WeakPolarHBondContact O-CD 3.37Å
2801T83.4Confident88.5Confident116.5 Ų116.5107 Ų10772%0.71555%0.545SS*.PPolyproline II helixtrans-86131.7172.654.90000109.8Y2799 R2803Y2799-T2801 PolarHBondContact O-N 2.77Å; T2801-R2803 PolarHBondContact O-N 3.28Å
2802P85.8Confident88.4Confident78 Ų78112.2 Ų112.251%0.50657%0.568SS.*PPolyproline II helixtrans-64.9128.4178.425.2-32.4000110.1Q2805P2802-Q2805 HydrophobicContact CB-CB 4.47Å; P2802-Q2805 HydrophobicContact CB-CG 4.12Å; P2802-Q2805 HydrophobicContact CG-CB 4.08Å; P2802-Q2805 HydrophobicContact CG-CG 4.19Å; P2802-Q2805 PolarHBondContact O-N 3.45Å
2803R86.4Confident88.4Confident248 Ų248110.5 Ų110.594%0.93658%0.575SS**THydrogen-bonded Turntrans-62.6140.2179.7-68.2-176.6173.4-177.4-2.3110.5T2801 Q2805T2801-R2803 PolarHBondContact O-N 3.28Å; R2803-Q2805 PolarHBondContact O-N 3.29Å
2804G86.6Confident88.4Confident90.5 Ų90.5112.6 Ų112.693%0.93359%0.591SS**THydrogen-bonded Turntrans75-1.5175.400000116.1
2805Q86Confident88.4Confident139 Ų139110.7 Ų110.765%0.6560%0.595SS**PPolyproline II helixtrans-88.4140.6176.7-115.7-17610.300112.2P2802 R2803 R2807P2802-Q2805 HydrophobicContact CB-CB 4.47Å; P2802-Q2805 HydrophobicContact CB-CG 4.12Å; P2802-Q2805 HydrophobicContact CG-CB 4.08Å; P2802-Q2805 HydrophobicContact CG-CG 4.19Å; P2802-Q2805 PolarHBondContact O-N 3.45Å; R2803-Q2805 PolarHBondContact O-N 3.29Å; Q2805-R2807 PolarHBondContact O-N 3.29Å
2806N86.1Confident88.6Confident146 Ų146111.7 Ų111.778%0.78161%0.607SS**PPolyproline II helixtrans-61.3126.5170.9-83.8-31.2000110.7D2808N2806-D2808 PolarHBondContact O-N 3.29Å
2807R84.1Confident88.8Confident199.5 Ų199.5108.3 Ų108.375%0.75360%0.601SS**PPolyproline II helixtrans-57.9136.5169.7-68.7-176.9-179.2-179.70.5109.7Q2805 T2809 K2812Q2805-R2807 PolarHBondContact O-N 3.29Å; R2807-T2809 PolarHBondContact O-N 3.07Å; R2807-K2812 WeakPolarHBondContact O-CD 3.4Å; R2807-K2812 WeakPolarHBondContact O-CE 3.38Å; R2807-K2812 PolarHBondContact O-NZ 2.8Å
2808D87.5Confident89Confident74.5 Ų74.5107 Ų10740%0.39859%0.594SS.*  trans-49.5130.1179.5179.811.9000112.2N2806 S2810 K2811 K2812N2806-D2808 PolarHBondContact O-N 3.29Å; D2808-S2810 VanDerWaalsContact CG-OG 3.24Å; D2808-S2810 PolarHBondContact O-N 3.26Å; D2808-S2810 WeakPolarHBondContact OD1-CB 3.19Å; D2808-S2810 PolarHBondContact OD1-N 3.35Å; D2808-S2810 PolarHBondContact OD1-OG 2.86Å; D2808-S2810 PolarHBondContact OD2-OG 3.32Å; D2808-K2811 HydrophobicContact CB-CD 4.33Å; D2808-K2811 HydrophobicContact CB-CG 4.3Å; D2808-K2811 PolarHBondContact O-N 3.03Å; D2808-K2812 PolarHBondContact O-N 3.39Å; D2808-K2812 VanDerWaalsContact O-N 3.12Å
2809T89.4Confident89Confident107.5 Ų107.5107.9 Ų107.966%0.6659%0.592SS**Hα-helixtrans-58.4-34.4179.2-53.80000111.6R2807 K2811 K2812 A2813R2807-T2809 PolarHBondContact O-N 3.07Å; T2809-K2811 VanDerWaalsContact C-N 3.33Å; T2809-K2811 PolarHBondContact O-N 2.94Å; T2809-K2812 PolarHBondContact O-N 3.34Å; T2809-A2813 VanDerWaalsContact O-CB 3.25Å; T2809-A2813 WeakPolarHBondContact O-CB 3.41Å; T2809-A2813 PolarHBondContact O-N 3.17Å
2810S90.1Very high89.2Confident63.5 Ų63.5107.7 Ų107.744%0.44460%0.598SS.*Hα-helixtrans-60.3-44178.279.50000111.9D2808 A2813 L2814D2808-S2810 VanDerWaalsContact CG-OG 3.24Å; D2808-S2810 PolarHBondContact O-N 3.26Å; D2808-S2810 WeakPolarHBondContact OD1-CB 3.19Å; D2808-S2810 PolarHBondContact OD1-N 3.35Å; D2808-S2810 PolarHBondContact OD1-OG 2.86Å; D2808-S2810 PolarHBondContact OD2-OG 3.32Å; S2810-A2813 PolarHBondContact O-N 3.08Å; S2810-L2814 WeakPolarHBondContact O-CB 3.38Å; S2810-L2814 PolarHBondContact O-N 3.15Å
2811K88.7Confident89.5Confident141 Ų141107.3 Ų107.361%0.61359%0.59SS**Hα-helixtrans-70.6-39.6-179.6-60.8-179.3-174.7-178.90111.3D2808 T2809 L2814 T2815D2808-K2811 HydrophobicContact CB-CD 4.33Å; D2808-K2811 HydrophobicContact CB-CG 4.3Å; D2808-K2811 PolarHBondContact O-N 3.03Å; T2809-K2811 VanDerWaalsContact C-N 3.33Å; T2809-K2811 PolarHBondContact O-N 2.94Å; K2811-L2814 PolarHBondContact O-N 3.12Å; K2811-T2815 PolarHBondContact O-N 2.95Å; K2811-T2815 PolarHBondContact O-OG1 3.39Å
2812K91.8Very high89.8Confident110.5 Ų110.5107.1 Ų107.148%0.4858%0.58SS.*Hα-helixtrans-60.5-48.1172.8-68.9175.8176.7170.90111.2R2807 D2808 T2809 L2814 G2816R2807-K2812 WeakPolarHBondContact O-CD 3.4Å; R2807-K2812 WeakPolarHBondContact O-CE 3.38Å; R2807-K2812 PolarHBondContact O-NZ 2.8Å; D2808-K2812 PolarHBondContact O-N 3.39Å; D2808-K2812 VanDerWaalsContact O-N 3.12Å; T2809-K2812 PolarHBondContact O-N 3.34Å; K2812-L2814 VanDerWaalsContact C-N 3.35Å; K2812-G2816 PolarHBondContact O-N 3.28Å
2813A94.4Very high89.9Confident64.5 Ų64.5105.9 Ų105.953%0.53357%0.566SS.*Hα-helixtrans-65.4-38179.900000112.1T2809 S2810 G2817T2809-A2813 VanDerWaalsContact O-CB 3.25Å; T2809-A2813 WeakPolarHBondContact O-CB 3.41Å; T2809-A2813 PolarHBondContact O-N 3.17Å; S2810-A2813 PolarHBondContact O-N 3.08Å; A2813-G2817 VanDerWaalsContact O-CA 3.27Å; A2813-G2817 WeakPolarHBondContact O-CA 3.4Å; A2813-G2817 PolarHBondContact O-N 3.12Å
2814L92.9Very high90.1Very high112 Ų11299.5 Ų99.559%0.58655%0.545SS*.Hα-helixtrans-66.1-53.9176.4-178.762.7000111.8S2810 K2811 K2812 G2817 L2818S2810-L2814 WeakPolarHBondContact O-CB 3.38Å; S2810-L2814 PolarHBondContact O-N 3.15Å; K2811-L2814 PolarHBondContact O-N 3.12Å; K2812-L2814 VanDerWaalsContact C-N 3.35Å; L2814-G2817 PolarHBondContact O-N 3.45Å; L2814-L2818 HydrophobicContact CD1-CD1 4.03Å; L2814-L2818 HydrophobicContact CD1-CG 4.32Å; L2814-L2818 HydrophobicContact CG-CD1 4.25Å; L2814-L2818 WeakPolarHBondContact O-CB 3.35Å; L2814-L2818 VanDerWaalsContact O-CG 3.28Å; L2814-L2818 WeakPolarHBondContact O-CG 3.38Å; L2814-L2818 PolarHBondContact O-N 3.21Å
2815T91.4Very high90.2Very high100.5 Ų100.599.9 Ų99.962%0.61753%0.525SS*.Hα-helixtrans-67-44-178.3-55.30000111.8K2811 L2819K2811-T2815 PolarHBondContact O-N 2.95Å; K2811-T2815 PolarHBondContact O-OG1 3.39Å; T2815-L2819 WeakPolarHBondContact O-CB 3.49Å; T2815-L2819 PolarHBondContact O-N 3.27Å
2816G93.8Very high90.2Very high36.5 Ų36.594 Ų9438%0.37650%0.499SS..Hα-helixtrans-68.7-37.6176.900000113K2812 L2819 L2820K2812-G2816 PolarHBondContact O-N 3.28Å; G2816-L2819 PolarHBondContact O-N 3.27Å; G2816-L2820 WeakPolarHBondContact O-CB 3.46Å; G2816-L2820 PolarHBondContact O-N 3.14Å
2817G94.2Very high90.2Very high36 Ų3690.8 Ų90.837%0.37148%0.478SS..Hα-helixtrans-67.5-41.4177.700000112.9A2813 L2814 L2819 L2820 L2821A2813-G2817 VanDerWaalsContact O-CA 3.27Å; A2813-G2817 WeakPolarHBondContact O-CA 3.4Å; A2813-G2817 PolarHBondContact O-N 3.12Å; L2814-G2817 PolarHBondContact O-N 3.45Å; G2817-L2819 VanDerWaalsContact C-N 3.34Å; G2817-L2820 PolarHBondContact O-N 3.16Å; G2817-L2821 VanDerWaalsContact O-CB 3.26Å; G2817-L2821 WeakPolarHBondContact O-CB 3.36Å; G2817-L2821 PolarHBondContact O-N 3.39Å
2818L92.5Very high90.5Very high105.5 Ų105.587.9 Ų87.955%0.55247%0.468SS*.Hα-helixtrans-63.5-39.8173.2-72.8171.8000112L2814 L2821 F2822L2814-L2818 HydrophobicContact CD1-CD1 4.03Å; L2814-L2818 HydrophobicContact CD1-CG 4.32Å; L2814-L2818 HydrophobicContact CG-CD1 4.25Å; L2814-L2818 WeakPolarHBondContact O-CB 3.35Å; L2814-L2818 VanDerWaalsContact O-CG 3.28Å; L2814-L2818 WeakPolarHBondContact O-CG 3.38Å; L2814-L2818 PolarHBondContact O-N 3.21Å; L2818-L2821 PolarHBondContact O-N 3.31Å; L2818-F2822 WeakPolarHBondContact O-CB 3.42Å; L2818-F2822 PolarHBondContact O-N 3.02Å
2819L90.3Very high90.4Very high73.5 Ų73.585.4 Ų85.439%0.38546%0.459SS..Hα-helixtrans-68.1-41.3176.9-171.8122.3000112.1T2815 G2816 G2817 F2822 F2823 Y3148T2815-L2819 WeakPolarHBondContact O-CB 3.49Å; T2815-L2819 PolarHBondContact O-N 3.27Å; G2816-L2819 PolarHBondContact O-N 3.27Å; G2817-L2819 VanDerWaalsContact C-N 3.34Å; L2819-F2822 WeakPolarHBondContact O-CB 3.27Å; L2819-F2822 PolarHBondContact O-N 3.13Å; L2819-F2823 HydrophobicContact CD2-CD2 4.25Å; L2819-F2823 HydrophobicContact CD2-CE2 3.46Å; L2819-F2823 VanDerWaalsContact CD2-CE2 3.4Å; L2819-F2823 HydrophobicContact CD2-CZ 3.9Å; L2819-F2823 HydrophobicContact CG-CD2 4.39Å; L2819-F2823 HydrophobicContact CG-CE2 4.01Å; L2819-F2823 HydrophobicContact CG-CZ 4.13Å; L2819-F2823 VanDerWaalsContact O-CD2 3.32Å; L2819-F2823 WeakPolarHBondContact O-CD2 3.41Å; L2819-F2823 WeakPolarHBondContact O-CG 3.36Å; L2819-F2823 PolarHBondContact O-N 3.12Å; L2819-F2823 VanDerWaalsContact O-N 3.08Å; L2819-Y3148 WeakPolarHBondContact CD1-OH 3.21Å
2820L92.3Very high90Very high119 Ų11981.5 Ų81.562%0.62344%0.436SS*.Hα-helixtrans-65.7-42.7174.2-129.3165000111.7G2816 G2817 F2822 F2823 F2824G2816-L2820 WeakPolarHBondContact O-CB 3.46Å; G2816-L2820 PolarHBondContact O-N 3.14Å; G2817-L2820 PolarHBondContact O-N 3.16Å; L2820-F2822 VanDerWaalsContact C-N 3.3Å; L2820-F2822 PolarHBondContact O-N 3.45Å; L2820-F2823 PolarHBondContact O-N 2.79Å; L2820-F2824 PolarHBondContact O-N 3.17Å
2821L91.6Very high89.7Confident92 Ų9283.6 Ų83.648%0.48244%0.44SS..Hα-helixtrans-60.8-40.8175.6179.163.4000111.4G2817 L2818 F2823 F2824 I2825G2817-L2821 VanDerWaalsContact O-CB 3.26Å; G2817-L2821 WeakPolarHBondContact O-CB 3.36Å; G2817-L2821 PolarHBondContact O-N 3.39Å; L2818-L2821 PolarHBondContact O-N 3.31Å; L2821-F2823 PolarHBondContact O-N 3.26Å; L2821-F2824 WeakPolarHBondContact O-CB 3.32Å; L2821-F2824 PolarHBondContact O-N 3.34Å; L2821-I2825 HydrophobicContact CD1-CD1 4.13Å; L2821-I2825 HydrophobicContact CD1-CG1 4.38Å; L2821-I2825 HydrophobicContact CG-CD1 4Å; L2821-I2825 WeakPolarHBondContact O-CG1 3.4Å; L2821-I2825 PolarHBondContact O-N 3.24Å
2822F89.2Confident89.5Confident112 Ų11279 Ų7949%0.49143%0.429SS..Hα-helixtrans-58.8-47.7173.5175.4-100.4000111.6L2818 L2819 L2820 F2824 I2825 C2826 L3144L2818-F2822 WeakPolarHBondContact O-CB 3.42Å; L2818-F2822 PolarHBondContact O-N 3.02Å; L2819-F2822 WeakPolarHBondContact O-CB 3.27Å; L2819-F2822 PolarHBondContact O-N 3.13Å; L2820-F2822 VanDerWaalsContact C-N 3.3Å; L2820-F2822 PolarHBondContact O-N 3.45Å; F2822-F2824 VanDerWaalsContact C-N 3.35Å; F2822-F2824 PolarHBondContact O-N 3.05Å; F2822-I2825 PolarHBondContact O-N 3.21Å; F2822-C2826 PolarHBondContact O-N 3.38Å; F2822-C2826 PolarHBondContact O-SG 3.15Å; F2822-C2826 VanDerWaalsContact O-SG 3.41Å; F2822-L3144 HydrophobicContact CE1-CD2 4.08Å
2823F89.2Confident88.9Confident53 Ų5379.5 Ų79.523%0.23244%0.436CS..Hα-helixtrans-63.4-38.7175.4-64.4-30.7000113L2819 L2820 L2821 C2826 F2827 L3144L2819-F2823 HydrophobicContact CD2-CD2 4.25Å; L2819-F2823 HydrophobicContact CD2-CE2 3.46Å; L2819-F2823 VanDerWaalsContact CD2-CE2 3.4Å; L2819-F2823 HydrophobicContact CD2-CZ 3.9Å; L2819-F2823 HydrophobicContact CG-CD2 4.39Å; L2819-F2823 HydrophobicContact CG-CE2 4.01Å; L2819-F2823 HydrophobicContact CG-CZ 4.13Å; L2819-F2823 VanDerWaalsContact O-CD2 3.32Å; L2819-F2823 WeakPolarHBondContact O-CD2 3.41Å; L2819-F2823 WeakPolarHBondContact O-CG 3.36Å; L2819-F2823 PolarHBondContact O-N 3.12Å; L2819-F2823 VanDerWaalsContact O-N 3.08Å; L2820-F2823 PolarHBondContact O-N 2.79Å; L2821-F2823 PolarHBondContact O-N 3.26Å; F2823-C2826 PolarHBondContact O-N 3.4Å; F2823-F2827 HydrophobicContact CB-CD2 4.35Å; F2823-F2827 HydrophobicContact CB-CE2 4.12Å; F2823-F2827 WeakPolarHBondContact O-CD2 3.36Å; F2823-F2827 PolarHBondContact O-N 3.27Å; F2823-L3144 HydrophobicContact CD1-CD1 3.75Å; F2823-L3144 HydrophobicContact CD1-CD2 4.49Å; F2823-L3144 HydrophobicContact CE1-CD1 3.37Å; F2823-L3144 HydrophobicContact CE1-CD2 3.55Å; F2823-L3144 HydrophobicContact CE1-CG 4.03Å; F2823-L3144 HydrophobicContact CZ-CD1 4.48Å; F2823-L3144 HydrophobicContact CZ-CD2 4.31Å
2824F90.5Very high88.1Confident112 Ų11278.7 Ų78.749%0.49143%0.425SS..Hα-helixtrans-59.4-47.6175.3-175.1-83.9000111.1L2820 L2821 F2822 C2826 F2827 W2828L2820-F2824 PolarHBondContact O-N 3.17Å; L2821-F2824 WeakPolarHBondContact O-CB 3.32Å; L2821-F2824 PolarHBondContact O-N 3.34Å; F2822-F2824 VanDerWaalsContact C-N 3.35Å; F2822-F2824 PolarHBondContact O-N 3.05Å; F2824-C2826 VanDerWaalsContact C-N 3.34Å; F2824-C2826 PolarHBondContact O-N 3.18Å; F2824-F2827 PolarHBondContact O-N 2.95Å; F2824-W2828 HydrophobicContact CB-CE3 4.13Å; F2824-W2828 HydrophobicContact CB-CZ3 4.26Å; F2824-W2828 AromaticContact CD1-CE3 3.98Å; F2824-W2828 HydrophobicContact CD1-CE3 3.98Å; F2824-W2828 AromaticContact CD2-CD1 3.46Å; F2824-W2828 VanDerWaalsContact CD2-CD1 3.46Å; F2824-W2828 HydrophobicContact CD2-CD2 4.38Å; F2824-W2828 AromaticContact CD2-CE3 3.3Å; F2824-W2828 HydrophobicContact CD2-CE3 3.3Å; F2824-W2828 HydrophobicContact CD2-CG 4.22Å; F2824-W2828 HydrophobicContact CD2-CH2 4.3Å; F2824-W2828 AromaticContact CD2-CZ3 3.25Å; F2824-W2828 HydrophobicContact CD2-CZ3 3.25Å; F2824-W2828 AromaticContact CD2-NE1 3.79Å; F2824-W2828 HydrophobicContact CE1-CB 4.3Å; F2824-W2828 HydrophobicContact CE1-CE3 4.15Å; F2824-W2828 AromaticContact CE2-CD1 3.49Å; F2824-W2828 VanDerWaalsContact CE2-CD1 3.49Å; F2824-W2828 HydrophobicContact CE2-CD2 4.24Å; F2824-W2828 AromaticContact CE2-CE3 3.5Å; F2824-W2828 HydrophobicContact CE2-CE3 3.5Å; F2824-W2828 VanDerWaalsContact CE2-CE3 3.5Å; F2824-W2828 AromaticContact CE2-CG 3.88Å; F2824-W2828 HydrophobicContact CE2-CG 3.88Å; F2824-W2828 HydrophobicContact CE2-CH2 4.38Å; F2824-W2828 AromaticContact CE2-CZ3 3.63Å; F2824-W2828 HydrophobicContact CE2-CZ3 3.63Å; F2824-W2828 AromaticContact CE2-NE1 3.69Å; F2824-W2828 AromaticContact CG-CE3 3.53Å; F2824-W2828 HydrophobicContact CG-CE3 3.53Å; F2824-W2828 AromaticContact CG-CZ3 3.85Å; F2824-W2828 HydrophobicContact CG-CZ3 3.85Å; F2824-W2828 HydrophobicContact CZ-CB 4.28Å; F2824-W2828 HydrophobicContact CZ-CD2 4.3Å; F2824-W2828 AromaticContact CZ-CE3 3.92Å; F2824-W2828 HydrophobicContact CZ-CE3 3.92Å; F2824-W2828 HydrophobicContact CZ-CG 4.04Å; F2824-W2828 HydrophobicContact CZ-CZ3 4.48Å; F2824-W2828 WeakPolarHBondContact O-CB 3.47Å; F2824-W2828 PolarHBondContact O-N 3.38Å
2825I89Confident87.5Confident99 Ų9977.4 Ų77.451%0.50843%0.425SS..Hα-helixtrans-64.5-38.9177.9-67167.3000111L2821 F2822 G2829L2821-I2825 HydrophobicContact CD1-CD1 4.13Å; L2821-I2825 HydrophobicContact CD1-CG1 4.38Å; L2821-I2825 HydrophobicContact CG-CD1 4Å; L2821-I2825 WeakPolarHBondContact O-CG1 3.4Å; L2821-I2825 PolarHBondContact O-N 3.24Å; F2822-I2825 PolarHBondContact O-N 3.21Å; I2825-G2829 WeakPolarHBondContact O-CA 3.37Å; I2825-G2829 PolarHBondContact O-N 2.88Å
2826C86.2Confident87Confident15 Ų1579.2 Ų79.210%0.10142%0.424CS..Hα-helixtrans-62.1-50.4174.3-73.10000112.2F2822 F2823 F2824 P2830 Y3136F2822-C2826 PolarHBondContact O-N 3.38Å; F2822-C2826 PolarHBondContact O-SG 3.15Å; F2822-C2826 VanDerWaalsContact O-SG 3.41Å; F2823-C2826 PolarHBondContact O-N 3.4Å; F2824-C2826 VanDerWaalsContact C-N 3.34Å; F2824-C2826 PolarHBondContact O-N 3.18Å; C2826-P2830 WeakPolarHBondContact O-CD 3.25Å; C2826-Y3136 WeakPolarHBondContact O-CE1 3.15Å; C2826-Y3136 PolarHBondContact O-OH 2.83Å
2827F85.9Confident85.8Confident79 Ų7978.6 Ų78.635%0.34641%0.412SS..Hα-helixtrans-75.6-40.8-174.2-64.9-54.8000113.7F2823 F2824 Y3133 I3137F2823-F2827 HydrophobicContact CB-CD2 4.35Å; F2823-F2827 HydrophobicContact CB-CE2 4.12Å; F2823-F2827 WeakPolarHBondContact O-CD2 3.36Å; F2823-F2827 PolarHBondContact O-N 3.27Å; F2824-F2827 PolarHBondContact O-N 2.95Å; F2827-Y3133 PolarHBondContact O-OH 2.86Å; F2827-I3137 HydrophobicContact CE1-CG2 4.28Å
2828W88.8Confident84.7Confident139 Ų13979.3 Ų79.353%0.52742%0.419SS..Hα-helixtrans-99-19.6-175.3-67.67.6000114F2824 M2831 A2832F2824-W2828 HydrophobicContact CB-CE3 4.13Å; F2824-W2828 HydrophobicContact CB-CZ3 4.26Å; F2824-W2828 AromaticContact CD1-CE3 3.98Å; F2824-W2828 HydrophobicContact CD1-CE3 3.98Å; F2824-W2828 AromaticContact CD2-CD1 3.46Å; F2824-W2828 VanDerWaalsContact CD2-CD1 3.46Å; F2824-W2828 HydrophobicContact CD2-CD2 4.38Å; F2824-W2828 AromaticContact CD2-CE3 3.3Å; F2824-W2828 HydrophobicContact CD2-CE3 3.3Å; F2824-W2828 HydrophobicContact CD2-CG 4.22Å; F2824-W2828 HydrophobicContact CD2-CH2 4.3Å; F2824-W2828 AromaticContact CD2-CZ3 3.25Å; F2824-W2828 HydrophobicContact CD2-CZ3 3.25Å; F2824-W2828 AromaticContact CD2-NE1 3.79Å; F2824-W2828 HydrophobicContact CE1-CB 4.3Å; F2824-W2828 HydrophobicContact CE1-CE3 4.15Å; F2824-W2828 AromaticContact CE2-CD1 3.49Å; F2824-W2828 VanDerWaalsContact CE2-CD1 3.49Å; F2824-W2828 HydrophobicContact CE2-CD2 4.24Å; F2824-W2828 AromaticContact CE2-CE3 3.5Å; F2824-W2828 HydrophobicContact CE2-CE3 3.5Å; F2824-W2828 VanDerWaalsContact CE2-CE3 3.5Å; F2824-W2828 AromaticContact CE2-CG 3.88Å; F2824-W2828 HydrophobicContact CE2-CG 3.88Å; F2824-W2828 HydrophobicContact CE2-CH2 4.38Å; F2824-W2828 AromaticContact CE2-CZ3 3.63Å; F2824-W2828 HydrophobicContact CE2-CZ3 3.63Å; F2824-W2828 AromaticContact CE2-NE1 3.69Å; F2824-W2828 AromaticContact CG-CE3 3.53Å; F2824-W2828 HydrophobicContact CG-CE3 3.53Å; F2824-W2828 AromaticContact CG-CZ3 3.85Å; F2824-W2828 HydrophobicContact CG-CZ3 3.85Å; F2824-W2828 HydrophobicContact CZ-CB 4.28Å; F2824-W2828 HydrophobicContact CZ-CD2 4.3Å; F2824-W2828 AromaticContact CZ-CE3 3.92Å; F2824-W2828 HydrophobicContact CZ-CE3 3.92Å; F2824-W2828 HydrophobicContact CZ-CG 4.04Å; F2824-W2828 HydrophobicContact CZ-CZ3 4.48Å; F2824-W2828 WeakPolarHBondContact O-CB 3.47Å; F2824-W2828 PolarHBondContact O-N 3.38Å; W2828-M2831 HydrophobicContact CE3-SD 3.89Å; W2828-M2831 HydrophobicContact CZ3-SD 3.94Å; W2828-M2831 WeakPolarHBondContact O-CB 3.44Å; W2828-M2831 PolarHBondContact O-N 3.27Å; W2828-M2831 VanDerWaalsContact O-N 3.16Å; W2828-A2832 PolarHBondContact O-N 2.91Å
2829G86.2Confident83.7Confident21.5 Ų21.578.6 Ų78.622%0.22243%0.429CS..Hα-helixtrans-57-49.5-179.800000113.8I2825 M2831 A2832 L2833I2825-G2829 WeakPolarHBondContact O-CA 3.37Å; I2825-G2829 PolarHBondContact O-N 2.88Å; G2829-M2831 VanDerWaalsContact C-N 3.32Å; G2829-M2831 PolarHBondContact O-N 3.47Å; G2829-A2832 PolarHBondContact O-N 3.42Å; G2829-L2833 WeakPolarHBondContact O-CG 3.23Å; G2829-L2833 PolarHBondContact O-N 3.03Å
2830P81.7Confident82.9Confident27 Ų2777.6 Ų77.618%0.17543%0.426CS..Hα-helixtrans-59.6-41.5174.1-23.633.2000112.4C2826 A2832 L2833 T2834 Y3133 Y3136C2826-P2830 WeakPolarHBondContact O-CD 3.25Å; P2830-A2832 PolarHBondContact O-N 3.2Å; P2830-L2833 WeakPolarHBondContact O-CB 3.24Å; P2830-L2833 PolarHBondContact O-N 2.95Å; P2830-L2833 VanDerWaalsContact O-N 3.17Å; P2830-T2834 WeakPolarHBondContact O-CG2 3.31Å; P2830-T2834 PolarHBondContact O-N 3.35Å; P2830-T2834 PolarHBondContact O-OG1 3.49Å; P2830-Y3133 HydrophobicContact CB-CD2 3.94Å; P2830-Y3133 HydrophobicContact CB-CE2 4.12Å; P2830-Y3133 HydrophobicContact CG-CE2 4.45Å; P2830-Y3136 HydrophobicContact CG-CD1 3.64Å; P2830-Y3136 HydrophobicContact CG-CE1 3.44Å; P2830-Y3136 VanDerWaalsContact CG-CE1 3.44Å; P2830-Y3136 HydrophobicContact CG-CE2 4.32Å; P2830-Y3136 HydrophobicContact CG-CG 4.22Å
2831M83.1Confident82.1Confident106.5 Ų106.575.6 Ų75.653%0.52541%0.412SS..Hα-helixtrans-62.1-44.2178.1-171.5-176.8-176.500111.3W2828 G2829 L2833 T2834 S2835W2828-M2831 HydrophobicContact CE3-SD 3.89Å; W2828-M2831 HydrophobicContact CZ3-SD 3.94Å; W2828-M2831 WeakPolarHBondContact O-CB 3.44Å; W2828-M2831 PolarHBondContact O-N 3.27Å; W2828-M2831 VanDerWaalsContact O-N 3.16Å; G2829-M2831 VanDerWaalsContact C-N 3.32Å; G2829-M2831 PolarHBondContact O-N 3.47Å; M2831-L2833 PolarHBondContact O-N 2.99Å; M2831-T2834 WeakPolarHBondContact CA-OG1 3.28Å; M2831-T2834 PolarHBondContact O-N 3.19Å; M2831-T2834 VanDerWaalsContact O-N 3.16Å; M2831-T2834 PolarHBondContact O-OG1 3.43Å; M2831-S2835 PolarHBondContact O-N 2.9Å
2832A84.4Confident81.7Confident46 Ų4674.5 Ų74.538%0.3841%0.407SS..Hα-helixtrans-59.5-47.3173.700000111.2W2828 G2829 P2830 T2834 S2835 F2836W2828-A2832 PolarHBondContact O-N 2.91Å; G2829-A2832 PolarHBondContact O-N 3.42Å; P2830-A2832 PolarHBondContact O-N 3.2Å; A2832-T2834 VanDerWaalsContact C-N 3.29Å; A2832-T2834 PolarHBondContact O-N 3.1Å; A2832-S2835 WeakPolarHBondContact O-CB 3.24Å; A2832-S2835 PolarHBondContact O-N 3.37Å; A2832-S2835 PolarHBondContact O-OG 3.14Å; A2832-F2836 WeakPolarHBondContact O-CD2 3.39Å; A2832-F2836 PolarHBondContact O-N 3.47Å
2833L80.2Confident81.5Confident121 Ų12171.5 Ų71.563%0.63440%0.398SS*.Hα-helixtrans-57.7-39175.1-70.5172.9000112.7G2829 P2830 M2831 S2835 F2836 I2837G2829-L2833 WeakPolarHBondContact O-CG 3.23Å; G2829-L2833 PolarHBondContact O-N 3.03Å; P2830-L2833 WeakPolarHBondContact O-CB 3.24Å; P2830-L2833 PolarHBondContact O-N 2.95Å; P2830-L2833 VanDerWaalsContact O-N 3.17Å; M2831-L2833 PolarHBondContact O-N 2.99Å; L2833-S2835 VanDerWaalsContact C-N 3.29Å; L2833-S2835 PolarHBondContact O-N 3.05Å; L2833-F2836 PolarHBondContact O-N 3.12Å; L2833-F2836 VanDerWaalsContact O-N 3.17Å; L2833-I2837 WeakPolarHBondContact O-CD1 3.41Å
2834T76.8Confident81.4Confident47.5 Ų47.569.3 Ų69.329%0.29139%0.388SS..Hα-helixtrans-66.1-29.217859.30000113.9P2830 M2831 A2832 F2836 I2837 I3129P2830-T2834 WeakPolarHBondContact O-CG2 3.31Å; P2830-T2834 PolarHBondContact O-N 3.35Å; P2830-T2834 PolarHBondContact O-OG1 3.49Å; M2831-T2834 WeakPolarHBondContact CA-OG1 3.28Å; M2831-T2834 PolarHBondContact O-N 3.19Å; M2831-T2834 VanDerWaalsContact O-N 3.16Å; M2831-T2834 PolarHBondContact O-OG1 3.43Å; A2832-T2834 VanDerWaalsContact C-N 3.29Å; A2832-T2834 PolarHBondContact O-N 3.1Å; T2834-F2836 VanDerWaalsContact C-N 3.28Å; T2834-F2836 PolarHBondContact O-N 3.27Å; T2834-I2837 HydrophobicContact CG2-CD1 4.18Å; T2834-I2837 WeakPolarHBondContact O-CB 3.44Å; T2834-I2837 PolarHBondContact O-N 3.1Å; T2834-I3129 HydrophobicContact CG2-CD1 3.47Å; T2834-I3129 VanDerWaalsContact CG2-CD1 3.47Å; T2834-I3129 HydrophobicContact CG2-CG1 3.69Å
2835S81Confident81.3Confident84 Ų8465.6 Ų65.659%0.58738%0.376SS*.Hα-helixtrans-67.7-31.4173.971.50000112.9M2831 A2832 L2833 I2837M2831-S2835 PolarHBondContact O-N 2.9Å; A2832-S2835 WeakPolarHBondContact O-CB 3.24Å; A2832-S2835 PolarHBondContact O-N 3.37Å; A2832-S2835 PolarHBondContact O-OG 3.14Å; L2833-S2835 VanDerWaalsContact C-N 3.29Å; L2833-S2835 PolarHBondContact O-N 3.05Å; S2835-I2837 VanDerWaalsContact C-N 3.31Å; S2835-I2837 PolarHBondContact O-N 3.14Å
2836F79.1Confident81.4Confident139 Ų13961.2 Ų61.261%0.6135%0.353SS*.Hα-helixtrans-74.8-16.3177.2-66.1-68000113.7A2832 L2833 T2834 G2838 A2839A2832-F2836 WeakPolarHBondContact O-CD2 3.39Å; A2832-F2836 PolarHBondContact O-N 3.47Å; L2833-F2836 PolarHBondContact O-N 3.12Å; L2833-F2836 VanDerWaalsContact O-N 3.17Å; T2834-F2836 VanDerWaalsContact C-N 3.28Å; T2834-F2836 PolarHBondContact O-N 3.27Å; F2836-G2838 VanDerWaalsContact C-N 3.27Å; F2836-G2838 PolarHBondContact O-N 3.12Å; F2836-A2839 WeakPolarHBondContact O-CB 3.44Å; F2836-A2839 PolarHBondContact O-N 3.16Å; F2836-A2839 VanDerWaalsContact O-N 3.09Å
2837I70.3Confident81.6Confident22.5 Ų22.563.4 Ų63.412%0.11537%0.366CS..Hα-helixtrans-61.7-32.8177.9-78.7120.7000111.2L2833 T2834 S2835 A2839 T2840 F2841 F3124 I3129L2833-I2837 WeakPolarHBondContact O-CD1 3.41Å; T2834-I2837 HydrophobicContact CG2-CD1 4.18Å; T2834-I2837 WeakPolarHBondContact O-CB 3.44Å; T2834-I2837 PolarHBondContact O-N 3.1Å; S2835-I2837 VanDerWaalsContact C-N 3.31Å; S2835-I2837 PolarHBondContact O-N 3.14Å; I2837-A2839 PolarHBondContact O-N 3.2Å; I2837-T2840 WeakPolarHBondContact O-CB 3.35Å; I2837-T2840 PolarHBondContact O-N 3.3Å; I2837-T2840 PolarHBondContact O-OG1 3.19Å; I2837-F2841 HydrophobicContact CG2-CE2 3.94Å; I2837-F2841 HydrophobicContact CG2-CZ 4.45Å; I2837-F2841 WeakPolarHBondContact O-CD2 3.12Å; I2837-F3124 HydrophobicContact CD1-CD2 3.31Å; I2837-F3124 HydrophobicContact CD1-CE2 3.35Å; I2837-F3124 HydrophobicContact CD1-CG 4.09Å; I2837-F3124 HydrophobicContact CD1-CZ 4.14Å; I2837-F3124 HydrophobicContact CG1-CD2 4.36Å; I2837-F3124 HydrophobicContact CG1-CE2 4.37Å; I2837-I3129 HydrophobicContact CD1-CD1 4.08Å
2838G69.6Low81.9Confident50.5 Ų50.562.2 Ų62.252%0.52136%0.363SS..G310 helixtrans-56.6-31.7176.700000113.6F2836 T2840F2836-G2838 VanDerWaalsContact C-N 3.27Å; F2836-G2838 PolarHBondContact O-N 3.12Å; G2838-T2840 PolarHBondContact O-N 2.91Å
2839A71.9Confident82.1Confident91.5 Ų91.555.5 Ų55.576%0.75634%0.338SS*.G310 helixtrans-76-3.217700000113.8F2836 I2837F2836-A2839 WeakPolarHBondContact O-CB 3.44Å; F2836-A2839 PolarHBondContact O-N 3.16Å; F2836-A2839 VanDerWaalsContact O-N 3.09Å; I2837-A2839 PolarHBondContact O-N 3.2Å
2840T72.8Confident82.5Confident52.5 Ų52.555.9 Ų55.932%0.32234%0.336SS..G310 helixtrans-103.710.6-179.871.60000113.8I2837 G2838 S3116 S3118I2837-T2840 WeakPolarHBondContact O-CB 3.35Å; I2837-T2840 PolarHBondContact O-N 3.3Å; I2837-T2840 PolarHBondContact O-OG1 3.19Å; G2838-T2840 PolarHBondContact O-N 2.91Å; T2840-S3116 WeakPolarHBondContact O-CA 3.42Å; T2840-S3116 PolarHBondContact O-OG 2.83Å; T2840-S3116 VanDerWaalsContact O-OG 3.1Å; T2840-S3116 PolarHBondContact OG1-OG 3.27Å; T2840-S3116 VanDerWaalsContact OG1-OG 3.09Å; T2840-S3118 PolarHBondContact OG1-OG 3.47Å
2841F77.5Confident83Confident76.5 Ų76.554.7 Ų54.734%0.33633%0.328SS..EExtended strand (participates in β ladder)trans-94.7116.8177.2-76.9-90000110.9I2837 R3114I2837-F2841 HydrophobicContact CG2-CE2 3.94Å; I2837-F2841 HydrophobicContact CG2-CZ 4.45Å; I2837-F2841 WeakPolarHBondContact O-CD2 3.12Å; F2841-R3114 HydrophobicContact CB-CB 3.98Å
2842D81.6Confident83.5Confident70 Ų7050.4 Ų50.437%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-94.3150.2179.7-84.5-2.7000112K2951 R3114 V3115D2842-K2951 IonicContact OD2-NZ 3.65Å; D2842-K2951 PolarHBondContact OD2-NZ 2.97Å; D2842-R3114 CarbonylContact O-C 3.57Å; D2842-R3114 VanDerWaalsContact O-CA 3.29Å; D2842-R3114 WeakPolarHBondContact O-CA 3.44Å; D2842-R3114 WeakPolarHBondContact O-CB 3.38Å; D2842-V3115 PolarHBondContact N-O 3.05Å; D2842-V3115 PolarHBondContact O-N 3.06Å
2843V85.7Confident83.9Confident48.5 Ų48.548.3 Ų48.329%0.29429%0.29SS..  trans-66.6133.5173.2-170.30000109.9P2845 N2902V2843-P2845 WeakPolarHBondContact O-CD 3.41Å; V2843-N2902 HydrophobicContact CG1-CB 4.37Å; V2843-N2902 VanDerWaalsContact CG1-O 3.26Å; V2843-N2902 WeakPolarHBondContact CG1-O 3.38Å; V2843-N2902 HydrophobicContact CG2-CB 4.17Å
2844N86.8Confident84.5Confident6.5 Ų6.543.6 Ų43.64%0.03527%0.268CS..  trans-127.472.5-175.2-161.18.2000112.6R2948 Q2954 V3115N2844-R2948 VanDerWaalsContact ND2-CD 3.25Å; N2844-R2948 WeakPolarHBondContact ND2-CD 3.45Å; N2844-R2948 WeakPolarHBondContact O-CD 3.43Å; N2844-R2948 PolarHBondContact O-NE 3.22Å; N2844-R2948 WeakPolarHBondContact OD1-CB 3.45Å; N2844-R2948 WeakPolarHBondContact OD1-CD 3.42Å; N2844-Q2954 PolarHBondContact ND2-OE1 3.24Å; N2844-Q2954 PolarHBondContact OD1-NE2 3.07Å; N2844-V3115 HydrophobicContact CB-CG2 4.22Å
2845P88.4Confident85.1Confident35.5 Ų35.541.4 Ų41.423%0.23125%0.254CS..  trans-75.5156.2-177.432.8-34.6000112.4V2843 R2905V2843-P2845 WeakPolarHBondContact O-CD 3.41Å; P2845-R2905 HydrophobicContact CB-CG 4.05Å
2846P90.8Very high85.4Confident6 Ų638.1 Ų38.14%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-69.2140.5169.530.7-35000110.8I2871 C2946 R2947 L3036 N3112P2846-I2871 HydrophobicContact CG-CG2 4.48Å; P2846-C2946 HydrophobicContact CB-CB 4.1Å; P2846-R2947 CarbonylContact C-O 3.57Å; P2846-R2947 WeakPolarHBondContact CA-O 3.5Å; P2846-L3036 HydrophobicContact CB-CD2 4.11Å; P2846-L3036 HydrophobicContact CG-CD2 4.15Å; P2846-N3112 WeakPolarHBondContact CD-OD1 3.45Å
2847V90.1Very high85.7Confident60 Ų6035.6 Ų35.636%0.36425%0.246SC..EExtended strand (participates in β ladder)trans-94.7-31.4174.3177.60000110.6R2947V2847-R2947 PolarHBondContact N-O 2.8Å
2848L92.4Very high86.7Confident54 Ų5435.7 Ų35.728%0.28325%0.246SC..EExtended strand (participates in β ladder)trans-145.5149.1170.865.991.7000110T2850 S2866 C2946 R2947L2848-T2850 HydrophobicContact CD1-CG2 3.93Å; L2848-S2866 VanDerWaalsContact CA-O 3.29Å; L2848-S2866 WeakPolarHBondContact CA-O 3.27Å; L2848-C2946 CarbonylContact O-C 3.42Å; L2848-C2946 VanDerWaalsContact O-CA 3.25Å; L2848-C2946 WeakPolarHBondContact O-CA 3.46Å; L2848-R2947 HydrophobicContact CD1-CB 3.88Å; L2848-R2947 HydrophobicContact CD2-CB 3.84Å; L2848-R2947 HydrophobicContact CD2-CG 4.4Å; L2848-R2947 HydrophobicContact CG-CB 3.8Å; L2848-R2947 PolarHBondContact N-O 3.13Å; L2848-R2947 PolarHBondContact O-N 3.04Å
2849C93.9Very high87.7Confident0 Ų035.6 Ų35.60%024%0.236CC..EExtended strand (participates in β ladder)trans-132.2125.7169.9-71.80000109.4F2851 T2865 S2866 V2907 K2945 C2946C2849-F2851 HydrophobicContact CB-CD2 4.4Å; C2849-F2851 HydrophobicContact CB-CE1 4.5Å; C2849-F2851 HydrophobicContact CB-CE2 3.68Å; C2849-F2851 HydrophobicContact CB-CZ 3.69Å; C2849-T2865 CarbonylContact O-C 3.55Å; C2849-T2865 WeakPolarHBondContact O-CA 3.31Å; C2849-S2866 PolarHBondContact N-O 3.18Å; C2849-S2866 PolarHBondContact O-N 3.1Å; C2849-V2907 HydrophobicContact CB-CG1 4.39Å; C2849-K2945 CarbonylContact C-O 3.59Å; C2849-K2945 WeakPolarHBondContact CA-O 3.38Å; C2849-C2946 HydrophobicContact CB-CB 4.21Å; C2849-C2946 WeakPolarHBondContact CB-SG 3.29Å; C2849-C2946 WeakPolarHBondContact SG-CB 3.39Å; C2849-C2946 CovalentContact SG-SG 2.05Å; C2849-C2946 PolarHBondContact SG-SG 3.1Å
2850T94Very high88.5Confident29.5 Ų29.533.9 Ų33.918%0.18122%0.217CC..EExtended strand (participates in β ladder)trans-103.7129176.2660000109.2L2848 F2864 T2865 M2944 K2945L2848-T2850 HydrophobicContact CD1-CG2 3.93Å; T2850-F2864 CarbonylContact C-O 3.49Å; T2850-F2864 WeakPolarHBondContact CA-O 3.48Å; T2850-T2865 HydrophobicContact CG2-CG2 3.54Å; T2850-T2865 VanDerWaalsContact CG2-CG2 3.46Å; T2850-M2944 WeakPolarHBondContact O-CA 3.35Å; T2850-K2945 PolarHBondContact N-O 3.31Å; T2850-K2945 PolarHBondContact O-N 3.09Å; T2850-K2945 WeakPolarHBondContact OG1-CB 3.43Å; T2850-K2945 PolarHBondContact OG1-O 3.07Å
2851F93.6Very high89.3Confident1 Ų131.5 Ų31.50%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-118.7127.4-176.6-58.8-79.9000108.5C2849 E2863 F2864 S2866 V2907 I2909 F2942 H2943 M2944 V3108C2849-F2851 HydrophobicContact CB-CD2 4.4Å; C2849-F2851 HydrophobicContact CB-CE1 4.5Å; C2849-F2851 HydrophobicContact CB-CE2 3.68Å; C2849-F2851 HydrophobicContact CB-CZ 3.69Å; F2851-E2863 CarbonylContact O-C 3.51Å; F2851-E2863 WeakPolarHBondContact O-CA 3.33Å; F2851-F2864 PolarHBondContact N-O 3.13Å; F2851-F2864 PolarHBondContact O-N 3.02Å; F2851-S2866 WeakPolarHBondContact CE2-OG 3.09Å; F2851-V2907 HydrophobicContact CE2-CG1 3.77Å; F2851-V2907 HydrophobicContact CZ-CB 4.44Å; F2851-V2907 HydrophobicContact CZ-CG1 3.71Å; F2851-I2909 HydrophobicContact CB-CD1 4.22Å; F2851-I2909 HydrophobicContact CD1-CD1 3.63Å; F2851-I2909 HydrophobicContact CD1-CG1 4.42Å; F2851-I2909 HydrophobicContact CD2-CD1 3.73Å; F2851-I2909 HydrophobicContact CD2-CG1 3.62Å; F2851-I2909 HydrophobicContact CD2-CG2 4.41Å; F2851-I2909 HydrophobicContact CE1-CD1 3.74Å; F2851-I2909 HydrophobicContact CE1-CG1 4.37Å; F2851-I2909 HydrophobicContact CE2-CD1 3.88Å; F2851-I2909 HydrophobicContact CE2-CG1 3.61Å; F2851-I2909 HydrophobicContact CG-CD1 3.58Å; F2851-I2909 HydrophobicContact CG-CG1 4.03Å; F2851-I2909 HydrophobicContact CZ-CD1 3.86Å; F2851-I2909 HydrophobicContact CZ-CG1 3.98Å; F2851-F2942 HydrophobicContact CB-CE2 4.17Å; F2851-F2942 AromaticContact CD1-CE2 3.88Å; F2851-F2942 HydrophobicContact CD1-CE2 3.88Å; F2851-F2942 AromaticContact CD1-CZ 3.58Å; F2851-F2942 HydrophobicContact CD1-CZ 3.58Å; F2851-F2942 HydrophobicContact CE1-CZ 4.19Å; F2851-F2942 HydrophobicContact CG-CE2 4.49Å; F2851-H2943 CarbonylContact C-O 3.59Å; F2851-H2943 WeakPolarHBondContact CA-O 3.29Å; F2851-M2944 HydrophobicContact CD1-CB 4.28Å; F2851-M2944 HydrophobicContact CD1-CG 3.9Å; F2851-M2944 HydrophobicContact CD1-SD 4.39Å; F2851-M2944 HydrophobicContact CE1-CB 4.48Å; F2851-M2944 HydrophobicContact CE1-CE 3.85Å; F2851-M2944 HydrophobicContact CE1-CG 3.66Å; F2851-M2944 HydrophobicContact CE1-SD 3.72Å; F2851-M2944 HydrophobicContact CZ-CE 4.25Å; F2851-V3108 HydrophobicContact CE1-CG2 4.34Å
2852S93.2Very high90Very high17 Ų1727.8 Ų27.812%0.11919%0.187CC..EExtended strand (participates in β ladder)trans-135.8142.317463.10000112.8F2862 F2942 H2943S2852-F2862 CarbonylContact C-O 3.58Å; S2852-F2862 WeakPolarHBondContact CA-O 3.41Å; S2852-F2862 WeakPolarHBondContact CB-O 3.24Å; S2852-F2942 CarbonylContact O-C 3.56Å; S2852-F2942 WeakPolarHBondContact O-CA 3.25Å; S2852-H2943 PolarHBondContact N-O 3.2Å; S2852-H2943 PolarHBondContact O-N 3.24Å; S2852-H2943 WeakPolarHBondContact OG-CB 3.38Å; S2852-H2943 PolarHBondContact OG-ND1 3.41Å
2853F92.8Very high90.6Very high1 Ų127.7 Ų27.70%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-110.9132.3171.7-70.1-80.1000109.5P2860 T2861 F2862 L2940 H2941 F2942 V3029 L3030 F3059 L3074F2853-P2860 CarbonylContact O-C 3.54Å; F2853-P2860 VanDerWaalsContact O-CA 3.23Å; F2853-P2860 WeakPolarHBondContact O-CA 3.34Å; F2853-P2860 WeakPolarHBondContact O-CB 3.44Å; F2853-T2861 PolarHBondContact O-N 3.39Å; F2853-T2861 PolarHBondContact O-OG1 3.06Å; F2853-F2862 HydrophobicContact CB-CB 4.33Å; F2853-F2862 HydrophobicContact CD2-CB 4.22Å; F2853-F2862 AromaticContact CD2-CD1 3.75Å; F2853-F2862 HydrophobicContact CD2-CD1 3.75Å; F2853-F2862 HydrophobicContact CD2-CE1 4.48Å; F2853-F2862 HydrophobicContact CD2-CG 4.25Å; F2853-F2862 HydrophobicContact CE2-CD1 4.3Å; F2853-F2862 PolarHBondContact N-O 3.2Å; F2853-F2862 PolarHBondContact O-N 3.48Å; F2853-L2940 HydrophobicContact CD1-CD1 4.42Å; F2853-H2941 CarbonylContact C-O 3.6Å; F2853-H2941 WeakPolarHBondContact CA-O 3.29Å; F2853-F2942 HydrophobicContact CD1-CB 3.92Å; F2853-F2942 AromaticContact CD1-CD2 3.85Å; F2853-F2942 HydrophobicContact CD1-CD2 3.85Å; F2853-F2942 HydrophobicContact CD1-CG 4.33Å; F2853-F2942 HydrophobicContact CD2-CD2 4.34Å; F2853-F2942 HydrophobicContact CE1-CB 3.63Å; F2853-F2942 AromaticContact CE1-CD2 3.28Å; F2853-F2942 HydrophobicContact CE1-CD2 3.28Å; F2853-F2942 HydrophobicContact CE1-CE2 4.18Å; F2853-F2942 AromaticContact CE1-CG 3.74Å; F2853-F2942 HydrophobicContact CE1-CG 3.74Å; F2853-F2942 AromaticContact CE2-CD2 3.86Å; F2853-F2942 HydrophobicContact CE2-CD2 3.86Å; F2853-F2942 AromaticContact CE2-CE2 3.98Å; F2853-F2942 HydrophobicContact CE2-CE2 4.1Å; F2853-F2942 HydrophobicContact CG-CD2 4.35Å; F2853-F2942 HydrophobicContact CZ-CB 4.45Å; F2853-F2942 AromaticContact CZ-CD2 3.31Å; F2853-F2942 HydrophobicContact CZ-CD2 3.31Å; F2853-F2942 AromaticContact CZ-CE2 3.75Å; F2853-F2942 HydrophobicContact CZ-CE2 3.75Å; F2853-F2942 HydrophobicContact CZ-CG 4.13Å; F2853-V3029 HydrophobicContact CD1-CG1 3.92Å; F2853-V3029 HydrophobicContact CE1-CG1 3.21Å; F2853-V3029 HydrophobicContact CZ-CG1 3.93Å; F2853-L3030 HydrophobicContact CZ-CB 4.46Å; F2853-L3030 HydrophobicContact CZ-CD1 4.05Å; F2853-F3059 HydrophobicContact CB-CE1 4.29Å; F2853-F3059 HydrophobicContact CB-CZ 4.42Å; F2853-F3059 HydrophobicContact CD1-CZ 4.22Å; F2853-F3059 HydrophobicContact CG-CE1 4.46Å; F2853-F3059 HydrophobicContact CG-CZ 4.15Å; F2853-L3074 HydrophobicContact CD2-CD1 3.43Å; F2853-L3074 VanDerWaalsContact CD2-CD1 3.43Å; F2853-L3074 HydrophobicContact CE2-CD1 3.47Å; F2853-L3074 VanDerWaalsContact CE2-CD1 3.47Å; F2853-L3074 HydrophobicContact CG-CD1 4.43Å
2854S92.3Very high90.9Very high22 Ų2226.6 Ų26.615%0.15418%0.175CC..EExtended strand (participates in β ladder)trans-136.9146.3173.663.40000111.3G2856 H2941S2854-G2856 PolarHBondContact OG-O 3.09Å; S2854-H2941 PolarHBondContact N-O 3.17Å; S2854-H2941 PolarHBondContact O-N 2.8Å; S2854-H2941 WeakPolarHBondContact OG-CB 3.38Å
2855F90.5Very high91.2Very high2.5 Ų2.528.6 Ų28.61%0.01119%0.187CC..EExtended strand (participates in β ladder)trans-92.9112.1169.9-62.7-70.2000108.2F2858 T2861 L2927 L2938 L2939 L2940 L2968 L2976 L3026 F3059F2855-F2858 WeakPolarHBondContact O-CB 3.26Å; F2855-F2858 VanDerWaalsContact O-CD2 3.22Å; F2855-F2858 WeakPolarHBondContact O-CD2 3.15Å; F2855-F2858 PolarHBondContact O-N 3.32Å; F2855-F2858 VanDerWaalsContact O-N 3.14Å; F2855-T2861 HydrophobicContact CD2-CG2 3.58Å; F2855-T2861 VanDerWaalsContact CD2-CG2 3.46Å; F2855-T2861 HydrophobicContact CE2-CG2 3.69Å; F2855-L2927 HydrophobicContact CB-CD1 4.24Å; F2855-L2938 HydrophobicContact CB-CD1 4.44Å; F2855-L2938 HydrophobicContact CB-CD2 4.47Å; F2855-L2939 CarbonylContact C-O 3.57Å; F2855-L2940 HydrophobicContact CD1-CD1 3.86Å; F2855-L2940 HydrophobicContact CE1-CD1 3.63Å; F2855-L2940 HydrophobicContact CZ-CD1 4.31Å; F2855-L2968 HydrophobicContact CD1-CD1 4.18Å; F2855-L2968 HydrophobicContact CD1-CD2 4.06Å; F2855-L2968 HydrophobicContact CE1-CD1 4.49Å; F2855-L2968 HydrophobicContact CE1-CD2 4.06Å; F2855-L2976 HydrophobicContact CD1-CD2 4Å; F2855-L2976 HydrophobicContact CD2-CD2 4.2Å; F2855-L2976 HydrophobicContact CE1-CD2 3.65Å; F2855-L2976 HydrophobicContact CE2-CD1 4.23Å; F2855-L2976 HydrophobicContact CE2-CD2 3.88Å; F2855-L2976 HydrophobicContact CG-CD2 4.27Å; F2855-L2976 HydrophobicContact CZ-CD1 4.09Å; F2855-L2976 HydrophobicContact CZ-CD2 3.6Å; F2855-L2976 VanDerWaalsContact CZ-CD2 3.48Å; F2855-L3026 HydrophobicContact CE1-CD1 3.79Å; F2855-L3026 HydrophobicContact CZ-CD1 4Å; F2855-F3059 HydrophobicContact CZ-CD1 4.35Å; F2855-F3059 HydrophobicContact CZ-CE1 4.27Å
2856G85.9Confident91.4Very high13.5 Ų13.526.9 Ų26.914%0.13918%0.176CC..THydrogen-bonded Turntrans51.2-138.6-17600000112.5S2854 F2858 L2939 H2941S2854-G2856 PolarHBondContact OG-O 3.09Å; G2856-F2858 VanDerWaalsContact C-N 3.29Å; G2856-F2858 PolarHBondContact O-N 3.22Å; G2856-L2939 PolarHBondContact N-O 3.19Å; G2856-H2941 PolarHBondContact O-CD2 3.18Å
2857G85.3Confident91.4Very high86.5 Ų86.534.5 Ų34.589%0.89220%0.204SC*.THydrogen-bonded Turntrans-85.322.7175.400000115.1
2858F90.8Very high91.1Very high25 Ų2539.5 Ų39.511%0.1122%0.224CC..SBendtrans-87.9159.4175-64-69.6000111.4F2855 G2856 S2923 A2926 L2927 K2930 L2938F2855-F2858 WeakPolarHBondContact O-CB 3.26Å; F2855-F2858 VanDerWaalsContact O-CD2 3.22Å; F2855-F2858 WeakPolarHBondContact O-CD2 3.15Å; F2855-F2858 PolarHBondContact O-N 3.32Å; F2855-F2858 VanDerWaalsContact O-N 3.14Å; G2856-F2858 VanDerWaalsContact C-N 3.29Å; G2856-F2858 PolarHBondContact O-N 3.22Å; F2858-S2923 VanDerWaalsContact CE1-O 3.25Å; F2858-S2923 WeakPolarHBondContact CE1-O 3.44Å; F2858-A2926 HydrophobicContact CE1-CB 4.04Å; F2858-A2926 HydrophobicContact CZ-CB 4.13Å; F2858-L2927 HydrophobicContact CD1-CB 4.4Å; F2858-L2927 HydrophobicContact CD2-CB 4.08Å; F2858-L2927 HydrophobicContact CD2-CD1 3.63Å; F2858-L2927 HydrophobicContact CD2-CG 4.33Å; F2858-L2927 HydrophobicContact CE1-CB 4.13Å; F2858-L2927 HydrophobicContact CE2-CB 3.79Å; F2858-L2927 HydrophobicContact CE2-CD1 3.65Å; F2858-L2927 HydrophobicContact CE2-CG 4.31Å; F2858-L2927 HydrophobicContact CG-CB 4.38Å; F2858-L2927 HydrophobicContact CG-CD1 4.39Å; F2858-L2927 VanDerWaalsContact CZ-CA 3.47Å; F2858-L2927 HydrophobicContact CZ-CB 3.82Å; F2858-L2927 HydrophobicContact CZ-CD1 4.44Å; F2858-K2930 HydrophobicContact CE2-CD 3.84Å; F2858-K2930 HydrophobicContact CZ-CD 3.89Å; F2858-L2938 HydrophobicContact CE2-CD1 4.37Å
2859P90.6Very high90.7Very high48 Ų4839.6 Ų39.631%0.31224%0.238SC..PPolyproline II helixtrans-52.7145176.2-26.735.6000112.3T2861P2859-T2861 PolarHBondContact O-N 3.29Å
2860P90.6Very high90.4Very high55.5 Ų55.541.2 Ų41.236%0.3625%0.246SC..PPolyproline II helixtrans-58.6130.6-17725.4-34.1000110.7F2853 W2917F2853-P2860 CarbonylContact O-C 3.54Å; F2853-P2860 VanDerWaalsContact O-CA 3.23Å; F2853-P2860 WeakPolarHBondContact O-CA 3.34Å; F2853-P2860 WeakPolarHBondContact O-CB 3.44Å; P2860-W2917 VanDerWaalsContact O-CD1 3.25Å
2861T89.4Confident90.2Very high2.5 Ų2.540.8 Ų40.82%0.01524%0.243CC..SBendtrans-76.5-30.7177.249.40000111.7F2853 F2855 P2859 W2917 W3072F2853-T2861 PolarHBondContact O-N 3.39Å; F2853-T2861 PolarHBondContact O-OG1 3.06Å; F2855-T2861 HydrophobicContact CD2-CG2 3.58Å; F2855-T2861 VanDerWaalsContact CD2-CG2 3.46Å; F2855-T2861 HydrophobicContact CE2-CG2 3.69Å; P2859-T2861 PolarHBondContact O-N 3.29Å; T2861-W2917 HydrophobicContact CG2-CD2 4.44Å; T2861-W2917 HydrophobicContact CG2-CZ2 3.93Å; T2861-W3072 WeakPolarHBondContact O-CB 3.26Å
2862F92.5Very high90Very high0 Ų043.8 Ų43.80%026%0.256CS..EExtended strand (participates in β ladder)trans-136.3136.6177.6174.2-83.7000109S2852 F2853 F2864 I2909 D2910 G2911 F2912 S2913 L3074S2852-F2862 CarbonylContact C-O 3.58Å; S2852-F2862 WeakPolarHBondContact CA-O 3.41Å; S2852-F2862 WeakPolarHBondContact CB-O 3.24Å; F2853-F2862 HydrophobicContact CB-CB 4.33Å; F2853-F2862 HydrophobicContact CD2-CB 4.22Å; F2853-F2862 AromaticContact CD2-CD1 3.75Å; F2853-F2862 HydrophobicContact CD2-CD1 3.75Å; F2853-F2862 HydrophobicContact CD2-CE1 4.48Å; F2853-F2862 HydrophobicContact CD2-CG 4.25Å; F2853-F2862 HydrophobicContact CE2-CD1 4.3Å; F2853-F2862 PolarHBondContact N-O 3.2Å; F2853-F2862 PolarHBondContact O-N 3.48Å; F2862-F2864 HydrophobicContact CE1-CB 3.54Å; F2862-F2864 HydrophobicContact CZ-CB 3.58Å; F2862-F2864 HydrophobicContact CZ-CG 4.39Å; F2862-I2909 HydrophobicContact CE1-CG2 3.93Å; F2862-I2909 HydrophobicContact CZ-CG2 3.82Å; F2862-D2910 WeakPolarHBondContact CZ-O 3.33Å; F2862-G2911 WeakPolarHBondContact CE2-O 2.93Å; F2862-F2912 VanDerWaalsContact CE2-C 3.47Å; F2862-S2913 VanDerWaalsContact CE2-N 3.34Å; F2862-L3074 HydrophobicContact CB-CD1 3.94Å; F2862-L3074 HydrophobicContact CB-CG 4.38Å; F2862-L3074 HydrophobicContact CD1-CD1 3.63Å; F2862-L3074 HydrophobicContact CD2-CD1 3.54Å; F2862-L3074 HydrophobicContact CD2-CG 3.59Å; F2862-L3074 HydrophobicContact CE1-CD1 3.93Å; F2862-L3074 HydrophobicContact CE2-CB 4.45Å; F2862-L3074 HydrophobicContact CE2-CD1 3.83Å; F2862-L3074 HydrophobicContact CE2-CG 3.91Å; F2862-L3074 HydrophobicContact CG-CD1 3.42Å; F2862-L3074 VanDerWaalsContact CG-CD1 3.42Å; F2862-L3074 HydrophobicContact CG-CG 3.96Å; F2862-L3074 HydrophobicContact CZ-CD1 4.02Å
2863E92.7Very high89.8Confident67.5 Ų67.546.8 Ų46.832%0.31527%0.274SS..EExtended strand (participates in β ladder)trans-141.4128.7171.8-173.2176.8-170.700109.9F2851 S2913 G2914 N2915F2851-E2863 CarbonylContact O-C 3.51Å; F2851-E2863 WeakPolarHBondContact O-CA 3.33Å; E2863-S2913 PolarHBondContact N-OG 3.2Å; E2863-S2913 VanDerWaalsContact N-OG 3.15Å; E2863-S2913 PolarHBondContact O-OG 3.23Å; E2863-G2914 PolarHBondContact O-N 2.93Å; E2863-N2915 PolarHBondContact OE2-ND2 3.09Å
2864F92.8Very high89.6Confident25 Ų2546.9 Ų46.911%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-141145.2178.7-175.3-97.8000111.4T2850 F2851 F2862 S2866 N2870 I2909 D2910T2850-F2864 CarbonylContact C-O 3.49Å; T2850-F2864 WeakPolarHBondContact CA-O 3.48Å; F2851-F2864 PolarHBondContact N-O 3.13Å; F2851-F2864 PolarHBondContact O-N 3.02Å; F2862-F2864 HydrophobicContact CE1-CB 3.54Å; F2862-F2864 HydrophobicContact CZ-CB 3.58Å; F2862-F2864 HydrophobicContact CZ-CG 4.39Å; F2864-S2866 WeakPolarHBondContact CE1-OG 3.46Å; F2864-N2870 WeakPolarHBondContact CZ-ND2 3.44Å; F2864-I2909 HydrophobicContact CB-CG2 4.14Å; F2864-I2909 HydrophobicContact CD1-CB 4.36Å; F2864-I2909 HydrophobicContact CD1-CG2 3.83Å; F2864-I2909 HydrophobicContact CG-CG2 4.18Å; F2864-D2910 HydrophobicContact CD2-CB 4.23Å; F2864-D2910 HydrophobicContact CE1-CB 4.43Å; F2864-D2910 HydrophobicContact CE2-CB 3.61Å; F2864-D2910 WeakPolarHBondContact CE2-OD2 3.39Å; F2864-D2910 HydrophobicContact CZ-CB 3.73Å; F2864-D2910 WeakPolarHBondContact CZ-OD2 3.24Å
2865T93.6Very high89.4Confident48 Ų4849.6 Ų49.629%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-124.5103.3-178.874.10000111.6C2849 T2850 R2867C2849-T2865 CarbonylContact O-C 3.55Å; C2849-T2865 WeakPolarHBondContact O-CA 3.31Å; T2850-T2865 HydrophobicContact CG2-CG2 3.54Å; T2850-T2865 VanDerWaalsContact CG2-CG2 3.46Å; T2865-R2867 PolarHBondContact OG1-NH2 3.44Å
2866S92.2Very high89.4Confident0 Ų052.5 Ų52.50%031%0.308CS..EExtended strand (participates in β ladder)trans-74.8130.1175-51.10000110.2L2848 C2849 F2851 F2864 T2908L2848-S2866 VanDerWaalsContact CA-O 3.29Å; L2848-S2866 WeakPolarHBondContact CA-O 3.27Å; C2849-S2866 PolarHBondContact N-O 3.18Å; C2849-S2866 PolarHBondContact O-N 3.1Å; F2851-S2866 WeakPolarHBondContact CE2-OG 3.09Å; F2864-S2866 WeakPolarHBondContact CE1-OG 3.46Å; S2866-T2908 PolarHBondContact OG-O 3.02Å
2867R90Very high89.5Confident166 Ų16655 Ų5563%0.62632%0.323SS*.  trans-120.4-165.5177.4-61.6-177.1-176.1133.46109.7T2865 G2869 N2870 I2871T2865-R2867 PolarHBondContact OG1-NH2 3.44Å; R2867-G2869 VanDerWaalsContact C-N 3.25Å; R2867-G2869 PolarHBondContact O-N 3.17Å; R2867-G2869 VanDerWaalsContact O-N 3.09Å; R2867-N2870 CarbonylContact O-C 3.6Å; R2867-N2870 WeakPolarHBondContact O-CA 3.45Å; R2867-N2870 PolarHBondContact O-N 3.15Å; R2867-I2871 WeakPolarHBondContact O-CG1 3.4Å; R2867-I2871 PolarHBondContact O-N 2.92Å; R2867-I2871 VanDerWaalsContact O-N 3.15Å
2868E83.7Confident89.5Confident165 Ų16552.1 Ų52.177%0.77129%0.286SS*.G310 helixtrans-48.9-37.7-177-63.7177.9174.600114.4N2870E2868-N2870 VanDerWaalsContact C-N 3.27Å; E2868-N2870 PolarHBondContact O-N 3.21Å
2869G84Confident89.4Confident55.5 Ų55.551.3 Ų51.357%0.57228%0.283SS*.G310 helixtrans-71.3-12.117700000115.9R2867 F2872R2867-G2869 VanDerWaalsContact C-N 3.25Å; R2867-G2869 PolarHBondContact O-N 3.17Å; R2867-G2869 VanDerWaalsContact O-N 3.09Å; G2869-F2872 WeakPolarHBondContact O-CZ 3.34Å
2870N87.7Confident89.4Confident34 Ų3453.8 Ų53.818%0.18229%0.294CS..G310 helixtrans-121.44.7-176.7-69.149.7000112F2864 R2867 E2868 V2907 T2908 D2910F2864-N2870 WeakPolarHBondContact CZ-ND2 3.44Å; R2867-N2870 CarbonylContact O-C 3.6Å; R2867-N2870 WeakPolarHBondContact O-CA 3.45Å; R2867-N2870 PolarHBondContact O-N 3.15Å; E2868-N2870 VanDerWaalsContact C-N 3.27Å; E2868-N2870 PolarHBondContact O-N 3.21Å; N2870-V2907 WeakPolarHBondContact O-CA 3.4Å; N2870-T2908 WeakPolarHBondContact CA-OG1 3.41Å; N2870-T2908 VanDerWaalsContact CB-OG1 3.32Å; N2870-T2908 WeakPolarHBondContact CB-OG1 3.36Å; N2870-T2908 PolarHBondContact ND2-OG1 3.35Å; N2870-T2908 PolarHBondContact O-N 2.92Å; N2870-T2908 PolarHBondContact O-OG1 3.12Å; N2870-D2910 PolarHBondContact ND2-OD1 3.15Å
2871I90.4Very high89.4Confident21 Ų2155.3 Ų55.311%0.10830%0.299CS..EExtended strand (participates in β ladder)trans-118.891.4-179.4-61.8171.8000108P2846 R2867 R2905 V2907P2846-I2871 HydrophobicContact CG-CG2 4.48Å; R2867-I2871 WeakPolarHBondContact O-CG1 3.4Å; R2867-I2871 PolarHBondContact O-N 2.92Å; R2867-I2871 VanDerWaalsContact O-N 3.15Å; I2871-R2905 HydrophobicContact CG2-CB 3.95Å; I2871-R2905 HydrophobicContact CG2-CG 4.1Å; I2871-V2907 HydrophobicContact CG1-CG1 4.15Å; I2871-V2907 HydrophobicContact CG1-CG2 4.26Å; I2871-V2907 HydrophobicContact CG2-CG2 4.44Å
2872F89.2Confident89.4Confident64 Ų6455.2 Ų55.228%0.28130%0.298SS..EExtended strand (participates in β ladder)trans-89.2149.9-174.4-58.1-80.2000112.4G2869 R2905 Y2906 T2908G2869-F2872 WeakPolarHBondContact O-CZ 3.34Å; F2872-R2905 WeakPolarHBondContact O-CA 3.35Å; F2872-R2905 WeakPolarHBondContact O-CD 3.24Å; F2872-Y2906 HydrophobicContact CD2-CD1 4.19Å; F2872-Y2906 PolarHBondContact N-O 3.36Å; F2872-Y2906 PolarHBondContact O-N 3.3Å; F2872-T2908 HydrophobicContact CD2-CG2 4.12Å; F2872-T2908 HydrophobicContact CE2-CG2 3.8Å
2873T89.3Confident89.3Confident81 Ų8156.3 Ų56.350%0.49730%0.304SS..EExtended strand (participates in β ladder)trans-83.4141.1171.651.60000110.4
2874V87.7Confident89.1Confident1.5 Ų1.561.7 Ų61.71%0.00932%0.321CS..PPolyproline II helixtrans-91.4133175.7-178.50000109.4E2878 L2879 L2904 L3109V2874-E2878 HydrophobicContact CG1-CB 4.01Å; V2874-L2879 HydrophobicContact CG1-CB 4.39Å; V2874-L2904 HydrophobicContact CB-CB 4.26Å; V2874-L2904 HydrophobicContact CG2-CB 3.98Å; V2874-L3109 HydrophobicContact CG2-CD1 4.06Å
2875N88.3Confident88.9Confident80.5 Ų80.563 Ų6343%0.4333%0.332SS..PPolyproline II helixtrans-76.3156.5177.3-69.6-54.3000112.1S2877 E2878 L2879N2875-S2877 VanDerWaalsContact C-N 3.3Å; N2875-S2877 PolarHBondContact O-N 3.28Å; N2875-E2878 HydrophobicContact CB-CB 4.38Å; N2875-E2878 HydrophobicContact CB-CG 4.09Å; N2875-E2878 WeakPolarHBondContact CB-OE1 3.43Å; N2875-E2878 PolarHBondContact N-OE2 3.22Å; N2875-E2878 PolarHBondContact ND2-OE1 3.3Å; N2875-E2878 WeakPolarHBondContact O-CB 3.45Å; N2875-E2878 PolarHBondContact O-N 2.93Å; N2875-L2879 PolarHBondContact O-N 3.13Å
2876S90.3Very high88.6Confident62.5 Ų62.561.1 Ų61.144%0.43732%0.321SS..Hα-helixtrans-62.7-34.7177.959.20000113.2N2880S2876-N2880 WeakPolarHBondContact O-CB 3.31Å; S2876-N2880 PolarHBondContact O-N 3.17Å; S2876-N2880 PolarHBondContact O-ND2 3.36Å; S2876-N2880 VanDerWaalsContact O-ND2 3.14Å
2877S88.7Confident88.4Confident65 Ų6567 Ų6746%0.45535%0.348SS..Hα-helixtrans-65.5-42.6174.348.20000112.5N2875 N2880 N2881N2875-S2877 VanDerWaalsContact C-N 3.3Å; N2875-S2877 PolarHBondContact O-N 3.28Å; S2877-N2880 PolarHBondContact O-N 3.13Å; S2877-N2881 VanDerWaalsContact O-CG 3.24Å; S2877-N2881 PolarHBondContact O-N 2.99Å; S2877-N2881 PolarHBondContact O-ND2 3.18Å
2878E85.8Confident88.2Confident26.5 Ų26.569 Ų6912%0.12436%0.361CS..Hα-helixtrans-63.9-47.6178.5-67.3158.8-161.500110.7V2874 N2875 N2880 N2881 F2882V2874-E2878 HydrophobicContact CG1-CB 4.01Å; N2875-E2878 HydrophobicContact CB-CB 4.38Å; N2875-E2878 HydrophobicContact CB-CG 4.09Å; N2875-E2878 WeakPolarHBondContact CB-OE1 3.43Å; N2875-E2878 PolarHBondContact N-OE2 3.22Å; N2875-E2878 PolarHBondContact ND2-OE1 3.3Å; N2875-E2878 WeakPolarHBondContact O-CB 3.45Å; N2875-E2878 PolarHBondContact O-N 2.93Å; E2878-N2880 PolarHBondContact O-N 2.83Å; E2878-N2881 PolarHBondContact O-N 3.08Å; E2878-F2882 WeakPolarHBondContact O-CB 3.4Å; E2878-F2882 PolarHBondContact O-N 3.3Å
2879L88.9Confident88.3Confident7.5 Ų7.563.6 Ų63.64%0.03934%0.338CS..Hα-helixtrans-61.1-43.8175.4177.360.1000111.9V2874 N2875 N2881 F2882 I2883 W2901 L2904V2874-L2879 HydrophobicContact CG1-CB 4.39Å; N2875-L2879 PolarHBondContact O-N 3.13Å; L2879-N2881 VanDerWaalsContact C-N 3.33Å; L2879-N2881 PolarHBondContact O-N 2.74Å; L2879-F2882 WeakPolarHBondContact O-CB 3.47Å; L2879-F2882 PolarHBondContact O-N 3.36Å; L2879-I2883 HydrophobicContact CD1-CD1 3.88Å; L2879-I2883 HydrophobicContact CD1-CG1 3.98Å; L2879-I2883 HydrophobicContact CD2-CD1 4.35Å; L2879-I2883 HydrophobicContact CG-CD1 3.75Å; L2879-I2883 HydrophobicContact CG-CG1 4.3Å; L2879-I2883 WeakPolarHBondContact O-CB 3.43Å; L2879-I2883 VanDerWaalsContact O-CG1 3.3Å; L2879-I2883 WeakPolarHBondContact O-CG1 3.37Å; L2879-I2883 PolarHBondContact O-N 2.86Å; L2879-W2901 HydrophobicContact CB-CB 4.44Å; L2879-W2901 HydrophobicContact CD2-CB 3.97Å; L2879-W2901 VanDerWaalsContact CD2-N 3.29Å; L2879-L2904 HydrophobicContact CD1-CD1 4.47Å; L2879-L2904 HydrophobicContact CD1-CD2 3.84Å; L2879-L2904 HydrophobicContact CD2-CD1 4.43Å
2880N90.5Very high88.5Confident101.5 Ų101.569.6 Ų69.654%0.54335%0.348SS..Hα-helixtrans-63-39.9178.9-75.6-23.9000112.2S2876 S2877 E2878 F2882 I2883 R2884S2876-N2880 WeakPolarHBondContact O-CB 3.31Å; S2876-N2880 PolarHBondContact O-N 3.17Å; S2876-N2880 PolarHBondContact O-ND2 3.36Å; S2876-N2880 VanDerWaalsContact O-ND2 3.14Å; S2877-N2880 PolarHBondContact O-N 3.13Å; E2878-N2880 PolarHBondContact O-N 2.83Å; N2880-F2882 VanDerWaalsContact C-N 3.33Å; N2880-I2883 PolarHBondContact O-N 3.3Å; N2880-R2884 WeakPolarHBondContact O-CB 3.38Å; N2880-R2884 PolarHBondContact O-N 3.02Å
2881N89.1Confident88.5Confident86.5 Ų86.574.4 Ų74.446%0.46337%0.369SS..Hα-helixtrans-67.1-37.7175.8-69.1-24.5000111.7S2877 E2878 L2879 R2884 C2885 V3090S2877-N2881 VanDerWaalsContact O-CG 3.24Å; S2877-N2881 PolarHBondContact O-N 2.99Å; S2877-N2881 PolarHBondContact O-ND2 3.18Å; E2878-N2881 PolarHBondContact O-N 3.08Å; L2879-N2881 VanDerWaalsContact C-N 3.33Å; L2879-N2881 PolarHBondContact O-N 2.74Å; N2881-R2884 PolarHBondContact O-N 3.12Å; N2881-C2885 PolarHBondContact O-N 3.34Å; N2881-V3090 HydrophobicContact CB-CG1 3.37Å
2882F89.1Confident88.4Confident0 Ų073.4 Ų73.40%036%0.364CS..Hα-helixtrans-65.6-46.6174.9-175.1-115.3000112.9E2878 L2879 N2880 R2884 C2885 H2886 L2896 Y3033 L3048 C3087 I3091E2878-F2882 WeakPolarHBondContact O-CB 3.4Å; E2878-F2882 PolarHBondContact O-N 3.3Å; L2879-F2882 WeakPolarHBondContact O-CB 3.47Å; L2879-F2882 PolarHBondContact O-N 3.36Å; N2880-F2882 VanDerWaalsContact C-N 3.33Å; F2882-R2884 VanDerWaalsContact C-N 3.28Å; F2882-R2884 PolarHBondContact O-N 3.3Å; F2882-C2885 WeakPolarHBondContact O-CB 3.37Å; F2882-C2885 PolarHBondContact O-N 3.39Å; F2882-C2885 VanDerWaalsContact O-N 3.08Å; F2882-H2886 AromaticContact CD2-NE2 3.89Å; F2882-H2886 AromaticContact CE1-CD2 3.96Å; F2882-H2886 AromaticContact CE2-CD2 3.72Å; F2882-H2886 AromaticContact CE2-NE2 3.27Å; F2882-H2886 WeakPolarHBondContact CE2-NE2 3.42Å; F2882-H2886 AromaticContact CZ-CD2 3.67Å; F2882-H2886 AromaticContact CZ-NE2 3.34Å; F2882-H2886 WeakPolarHBondContact CZ-NE2 3.41Å; F2882-H2886 PolarHBondContact O-CD2 3.04Å; F2882-H2886 PolarHBondContact O-N 3.15Å; F2882-L2896 HydrophobicContact CD1-CD1 3.88Å; F2882-L2896 HydrophobicContact CD1-CD2 4.19Å; F2882-L2896 HydrophobicContact CE1-CD1 3.74Å; F2882-L2896 HydrophobicContact CE1-CD2 3.71Å; F2882-L2896 HydrophobicContact CE1-CG 4.4Å; F2882-Y3033 HydrophobicContact CE2-CE1 4.28Å; F2882-Y3033 AromaticContact CZ-CE1 3.73Å; F2882-Y3033 HydrophobicContact CZ-CE1 3.73Å; F2882-L3048 HydrophobicContact CZ-CD2 4.03Å; F2882-C3087 HydrophobicContact CD2-CB 4.24Å; F2882-C3087 WeakPolarHBondContact CD2-O 3.34Å; F2882-C3087 HydrophobicContact CE2-CB 4.12Å; F2882-I3091 HydrophobicContact CB-CD1 3.27Å; F2882-I3091 HydrophobicContact CB-CG1 3.53Å; F2882-I3091 HydrophobicContact CD1-CD1 3.4Å; F2882-I3091 VanDerWaalsContact CD1-CD1 3.4Å; F2882-I3091 HydrophobicContact CD1-CG1 4.45Å; F2882-I3091 HydrophobicContact CD2-CD1 3.49Å; F2882-I3091 VanDerWaalsContact CD2-CD1 3.49Å; F2882-I3091 HydrophobicContact CD2-CG1 3.73Å; F2882-I3091 HydrophobicContact CE1-CD1 4.03Å; F2882-I3091 HydrophobicContact CE2-CD1 4.12Å; F2882-I3091 HydrophobicContact CG-CD1 3.09Å; F2882-I3091 HydrophobicContact CG-CG1 3.68Å; F2882-I3091 HydrophobicContact CZ-CD1 4.36Å
2883I90.3Very high88.5Confident23 Ų2373.8 Ų73.812%0.11837%0.366CS..Hα-helixtrans-56.4-45.1174-72.5169.6000110.3L2879 N2880 C2885 H2886 E2887 F2893 L2896L2879-I2883 HydrophobicContact CD1-CD1 3.88Å; L2879-I2883 HydrophobicContact CD1-CG1 3.98Å; L2879-I2883 HydrophobicContact CD2-CD1 4.35Å; L2879-I2883 HydrophobicContact CG-CD1 3.75Å; L2879-I2883 HydrophobicContact CG-CG1 4.3Å; L2879-I2883 WeakPolarHBondContact O-CB 3.43Å; L2879-I2883 VanDerWaalsContact O-CG1 3.3Å; L2879-I2883 WeakPolarHBondContact O-CG1 3.37Å; L2879-I2883 PolarHBondContact O-N 2.86Å; N2880-I2883 PolarHBondContact O-N 3.3Å; I2883-C2885 VanDerWaalsContact C-N 3.28Å; I2883-C2885 PolarHBondContact O-N 3.2Å; I2883-H2886 CarbonylContact O-C 3.55Å; I2883-H2886 PolarHBondContact O-N 3.37Å; I2883-E2887 PolarHBondContact O-N 3.33Å; I2883-F2893 HydrophobicContact CG2-CD2 3.8Å; I2883-F2893 HydrophobicContact CG2-CE2 3.46Å; I2883-F2893 VanDerWaalsContact CG2-CE2 3.46Å; I2883-F2893 HydrophobicContact CG2-CZ 4.33Å; I2883-L2896 HydrophobicContact CG1-CB 3.94Å; I2883-L2896 HydrophobicContact CG1-CD1 4.33Å
2884R89.7Confident88.4Confident182 Ų18271.6 Ų71.669%0.68736%0.36SS*.Hα-helixtrans-63.1-33.3177.4-168.8178.8-173.1-174.21.4112.7N2880 N2881 F2882 H2886 E2887N2880-R2884 WeakPolarHBondContact O-CB 3.38Å; N2880-R2884 PolarHBondContact O-N 3.02Å; N2881-R2884 PolarHBondContact O-N 3.12Å; F2882-R2884 VanDerWaalsContact C-N 3.28Å; F2882-R2884 PolarHBondContact O-N 3.3Å; R2884-H2886 VanDerWaalsContact C-N 3.34Å; R2884-E2887 VanDerWaalsContact O-CB 3.27Å; R2884-E2887 WeakPolarHBondContact O-CB 3.37Å; R2884-E2887 PolarHBondContact O-N 3.23Å
2885C88.9Confident88.6Confident51 Ų5172.4 Ų72.435%0.34536%0.363SS..Hα-helixtrans-67.3-36.2176.5-165.60000112.2N2881 F2882 I2883 C3087N2881-C2885 PolarHBondContact O-N 3.34Å; F2882-C2885 WeakPolarHBondContact O-CB 3.37Å; F2882-C2885 PolarHBondContact O-N 3.39Å; F2882-C2885 VanDerWaalsContact O-N 3.08Å; I2883-C2885 VanDerWaalsContact C-N 3.28Å; I2883-C2885 PolarHBondContact O-N 3.2Å; C2885-C3087 VanDerWaalsContact C-SG 3.56Å; C2885-C3087 HydrophobicContact CB-CB 3.59Å; C2885-C3087 WeakPolarHBondContact CB-SG 3.36Å; C2885-C3087 WeakPolarHBondContact SG-CA 3.37Å; C2885-C3087 WeakPolarHBondContact SG-CB 3.09Å; C2885-C3087 CovalentContact SG-SG 2.03Å; C2885-C3087 PolarHBondContact SG-SG 3.46Å
2886H87.4Confident88.7Confident10 Ų1068.6 Ų68.65%0.04634%0.343CS..THydrogen-bonded Turntrans-87.88.4176.4-67.9-69.6000115F2882 I2883 R2884 K2888 D2889 T2892 L2896 D3085 C3087F2882-H2886 AromaticContact CD2-NE2 3.89Å; F2882-H2886 AromaticContact CE1-CD2 3.96Å; F2882-H2886 AromaticContact CE2-CD2 3.72Å; F2882-H2886 AromaticContact CE2-NE2 3.27Å; F2882-H2886 WeakPolarHBondContact CE2-NE2 3.42Å; F2882-H2886 AromaticContact CZ-CD2 3.67Å; F2882-H2886 AromaticContact CZ-NE2 3.34Å; F2882-H2886 WeakPolarHBondContact CZ-NE2 3.41Å; F2882-H2886 PolarHBondContact O-CD2 3.04Å; F2882-H2886 PolarHBondContact O-N 3.15Å; I2883-H2886 CarbonylContact O-C 3.55Å; I2883-H2886 PolarHBondContact O-N 3.37Å; R2884-H2886 VanDerWaalsContact C-N 3.34Å; H2886-K2888 PolarHBondContact O-N 3.04Å; H2886-K2888 VanDerWaalsContact O-N 3.09Å; H2886-D2889 PolarHBondContact O-N 3.39Å; H2886-T2892 HydrophobicContact CB-CG2 3.8Å; H2886-L2896 HydrophobicContact CB-CD1 4.1Å; H2886-D3085 IonicContact CE1-OD1 3.35Å; H2886-D3085 IonicContact CE1-OD2 3.01Å; H2886-D3085 IonicContact NE2-OD2 2.65Å; H2886-C3087 VanDerWaalsContact NE2-CB 3.32Å; H2886-C3087 WeakPolarHBondContact NE2-CB 3.37Å
2887E86.9Confident88.7Confident123.5 Ų123.572 Ų7258%0.57735%0.352SS*.THydrogen-bonded Turntrans-54.7-27.2-177.8-173177.1-179.600113.8I2883 R2884 F2893I2883-E2887 PolarHBondContact O-N 3.33Å; R2884-E2887 VanDerWaalsContact O-CB 3.27Å; R2884-E2887 WeakPolarHBondContact O-CB 3.37Å; R2884-E2887 PolarHBondContact O-N 3.23Å; E2887-F2893 HydrophobicContact CB-CD2 4.4Å; E2887-F2893 HydrophobicContact CG-CE2 4.46Å
2888K85.6Confident88.7Confident207.5 Ų207.574.8 Ų74.890%0.90236%0.362SS*.THydrogen-bonded Turntrans-70.6-33.1177.5-67.4-178.6-179.2175.30113.8H2886H2886-K2888 PolarHBondContact O-N 3.04Å; H2886-K2888 VanDerWaalsContact O-N 3.09Å
2889D85.5Confident89Confident51.5 Ų51.575.1 Ų75.128%0.27536%0.362SS..  trans-95.2103.5176.4176.419.6000110.3H2886 Q2891 T2892 F2893 F3047H2886-D2889 PolarHBondContact O-N 3.39Å; D2889-Q2891 PolarHBondContact O-N 3.23Å; D2889-Q2891 PolarHBondContact OD1-N 3.11Å; D2889-Q2891 VanDerWaalsContact OD1-N 3.15Å; D2889-T2892 PolarHBondContact O-N 2.96Å; D2889-T2892 WeakPolarHBondContact OD2-CB 3.11Å; D2889-T2892 PolarHBondContact OD2-N 3.28Å; D2889-T2892 PolarHBondContact OD2-OG1 3.19Å; D2889-F2893 VanDerWaalsContact O-CB 3.24Å; D2889-F2893 WeakPolarHBondContact O-CB 3.28Å; D2889-F2893 PolarHBondContact O-N 3.19Å; D2889-F3047 WeakPolarHBondContact OD2-CB 3.36Å
2890K88.3Confident89Confident182 Ų18279.2 Ų79.279%0.79138%0.382SS*.Hα-helixtrans-58.4-31.3179.9-64.2-177.5-179.9-1800113.3G2894K2890-G2894 PolarHBondContact O-N 3.34Å
2891Q88.6Confident89Confident135 Ų13579.3 Ų79.363%0.63137%0.374SS*.Hα-helixtrans-74.7-46.7-179.6-63.4-168.84.600111D2889 G2894 F2895 A3046D2889-Q2891 PolarHBondContact O-N 3.23Å; D2889-Q2891 PolarHBondContact OD1-N 3.11Å; D2889-Q2891 VanDerWaalsContact OD1-N 3.15Å; Q2891-G2894 PolarHBondContact O-N 3.41Å; Q2891-F2895 WeakPolarHBondContact O-CB 3.09Å; Q2891-F2895 PolarHBondContact O-N 3.16Å; Q2891-A3046 HydrophobicContact CB-CB 3.62Å
2892T88.6Confident89Confident0 Ų077.7 Ų77.70%037%0.365CS..Hα-helixtrans-65.5-45.3175-62.70000111.8H2886 D2889 G2894 F2895 L2896 A3046 F3047 L3048H2886-T2892 HydrophobicContact CB-CG2 3.8Å; D2889-T2892 PolarHBondContact O-N 2.96Å; D2889-T2892 WeakPolarHBondContact OD2-CB 3.11Å; D2889-T2892 PolarHBondContact OD2-N 3.28Å; D2889-T2892 PolarHBondContact OD2-OG1 3.19Å; T2892-G2894 VanDerWaalsContact C-N 3.31Å; T2892-G2894 PolarHBondContact O-N 3.42Å; T2892-F2895 WeakPolarHBondContact O-CB 3.3Å; T2892-F2895 PolarHBondContact O-N 2.94Å; T2892-F2895 VanDerWaalsContact O-N 3.1Å; T2892-L2896 HydrophobicContact CG2-CD1 3.92Å; T2892-L2896 HydrophobicContact CG2-CG 4.23Å; T2892-L2896 WeakPolarHBondContact O-CG 3.27Å; T2892-L2896 PolarHBondContact O-N 3.17Å; T2892-A3046 WeakPolarHBondContact OG1-CB 3.34Å; T2892-F3047 WeakPolarHBondContact OG1-CB 3.36Å; T2892-F3047 PolarHBondContact OG1-N 3.28Å; T2892-L3048 HydrophobicContact CG2-CD1 3.64Å; T2892-L3048 HydrophobicContact CG2-CD2 4.21Å; T2892-L3048 HydrophobicContact CG2-CG 3.62Å
2893F90Very high89.2Confident71 Ų7177.8 Ų77.831%0.31137%0.366SS..Hα-helixtrans-57-45.7175.2-176.8-93000111.6I2883 E2887 D2889 F2895 L2896 H2897I2883-F2893 HydrophobicContact CG2-CD2 3.8Å; I2883-F2893 HydrophobicContact CG2-CE2 3.46Å; I2883-F2893 VanDerWaalsContact CG2-CE2 3.46Å; I2883-F2893 HydrophobicContact CG2-CZ 4.33Å; E2887-F2893 HydrophobicContact CB-CD2 4.4Å; E2887-F2893 HydrophobicContact CG-CE2 4.46Å; D2889-F2893 VanDerWaalsContact O-CB 3.24Å; D2889-F2893 WeakPolarHBondContact O-CB 3.28Å; D2889-F2893 PolarHBondContact O-N 3.19Å; F2893-F2895 VanDerWaalsContact C-N 3.33Å; F2893-F2895 PolarHBondContact O-N 3.14Å; F2893-L2896 PolarHBondContact O-N 3.06Å; F2893-H2897 PolarHBondContact O-N 3.38Å; F2893-H2897 VanDerWaalsContact O-N 3.12Å
2894G88.7Confident89.3Confident36.5 Ų36.576.7 Ų76.738%0.37636%0.361SS..Hα-helixtrans-65-31.6175.700000114K2890 Q2891 T2892 N2898K2890-G2894 PolarHBondContact O-N 3.34Å; Q2891-G2894 PolarHBondContact O-N 3.41Å; T2892-G2894 VanDerWaalsContact C-N 3.31Å; T2892-G2894 PolarHBondContact O-N 3.42Å; G2894-N2898 PolarHBondContact O-ND2 3.06Å; G2894-N2898 VanDerWaalsContact O-ND2 3.1Å
2895F91.7Very high89.4Confident18 Ų1869.6 Ų69.68%0.07933%0.334CS..Hα-helixtrans-69.5-48.8172.8169.1-102.4000111.7Q2891 T2892 F2893 H2897 N2898 F2899 L3035 A3044 Y3045 L3048 F3111Q2891-F2895 WeakPolarHBondContact O-CB 3.09Å; Q2891-F2895 PolarHBondContact O-N 3.16Å; T2892-F2895 WeakPolarHBondContact O-CB 3.3Å; T2892-F2895 PolarHBondContact O-N 2.94Å; T2892-F2895 VanDerWaalsContact O-N 3.1Å; F2893-F2895 VanDerWaalsContact C-N 3.33Å; F2893-F2895 PolarHBondContact O-N 3.14Å; F2895-H2897 VanDerWaalsContact C-N 3.32Å; F2895-H2897 PolarHBondContact O-N 3.14Å; F2895-N2898 WeakPolarHBondContact O-CB 3.02Å; F2895-N2898 PolarHBondContact O-N 3.19Å; F2895-N2898 PolarHBondContact O-ND2 3.27Å; F2895-F2899 AromaticContact CD2-CE2 3.98Å; F2895-F2899 HydrophobicContact CD2-CE2 4.05Å; F2895-F2899 HydrophobicContact CE1-CE2 4.32Å; F2895-F2899 HydrophobicContact CE2-CD2 4.43Å; F2895-F2899 AromaticContact CE2-CE2 3.53Å; F2895-F2899 HydrophobicContact CE2-CE2 3.53Å; F2895-F2899 VanDerWaalsContact CE2-CE2 3.44Å; F2895-F2899 HydrophobicContact CE2-CZ 4.11Å; F2895-F2899 HydrophobicContact CZ-CD2 4.36Å; F2895-F2899 AromaticContact CZ-CE2 3.68Å; F2895-F2899 HydrophobicContact CZ-CE2 3.68Å; F2895-F2899 HydrophobicContact CZ-CZ 4.31Å; F2895-F2899 WeakPolarHBondContact O-CD2 3.09Å; F2895-L3035 HydrophobicContact CE2-CD1 4.42Å; F2895-L3035 HydrophobicContact CE2-CD2 4.42Å; F2895-L3035 HydrophobicContact CZ-CD1 4.37Å; F2895-A3044 HydrophobicContact CE1-CB 4.33Å; F2895-A3044 HydrophobicContact CZ-CB 4.47Å; F2895-Y3045 AromaticContact CD2-CD2 3.9Å; F2895-Y3045 HydrophobicContact CD2-CD2 3.9Å; F2895-Y3045 HydrophobicContact CD2-CG 4.29Å; F2895-Y3045 AromaticContact CE2-CD2 3.66Å; F2895-Y3045 HydrophobicContact CE2-CD2 3.66Å; F2895-Y3045 HydrophobicContact CE2-CG 4.42Å; F2895-L3048 HydrophobicContact CD1-CD1 3.94Å; F2895-L3048 HydrophobicContact CE1-CD1 4.08Å; F2895-F3111 HydrophobicContact CE1-CD1 4.08Å; F2895-F3111 HydrophobicContact CE1-CD2 4.15Å; F2895-F3111 HydrophobicContact CE1-CE1 4.05Å; F2895-F3111 HydrophobicContact CE1-CE2 4.14Å; F2895-F3111 HydrophobicContact CE1-CG 4.13Å; F2895-F3111 HydrophobicContact CE1-CZ 4.09Å; F2895-F3111 HydrophobicContact CZ-CB 4.37Å; F2895-F3111 HydrophobicContact CZ-CD1 4.28Å; F2895-F3111 HydrophobicContact CZ-CD2 4.22Å; F2895-F3111 HydrophobicContact CZ-CG 4.03Å
2896L91Very high89.5Confident1 Ų167.3 Ų67.31%0.00532%0.318CS..Hα-helixtrans-64-35.6-176.5-67.7175000112.7F2882 I2883 H2886 T2892 F2893 N2898 F2899 L3048 F3111F2882-L2896 HydrophobicContact CD1-CD1 3.88Å; F2882-L2896 HydrophobicContact CD1-CD2 4.19Å; F2882-L2896 HydrophobicContact CE1-CD1 3.74Å; F2882-L2896 HydrophobicContact CE1-CD2 3.71Å; F2882-L2896 HydrophobicContact CE1-CG 4.4Å; I2883-L2896 HydrophobicContact CG1-CB 3.94Å; I2883-L2896 HydrophobicContact CG1-CD1 4.33Å; H2886-L2896 HydrophobicContact CB-CD1 4.1Å; T2892-L2896 HydrophobicContact CG2-CD1 3.92Å; T2892-L2896 HydrophobicContact CG2-CG 4.23Å; T2892-L2896 WeakPolarHBondContact O-CG 3.27Å; T2892-L2896 PolarHBondContact O-N 3.17Å; F2893-L2896 PolarHBondContact O-N 3.06Å; L2896-N2898 PolarHBondContact O-N 3.08Å; L2896-F2899 PolarHBondContact O-N 2.84Å; L2896-F2899 VanDerWaalsContact O-N 3.13Å; L2896-L3048 HydrophobicContact CD2-CD1 3.78Å; L2896-L3048 HydrophobicContact CG-CD1 4.19Å; L2896-F3111 HydrophobicContact CD2-CE1 3.51Å; L2896-F3111 HydrophobicContact CD2-CZ 3.69Å
2897H89.9Confident89.7Confident134 Ų13466.9 Ų66.962%0.6232%0.316SS*.THydrogen-bonded Turntrans-68.2-8.3179-156.5-59.3000114F2893 F2895 F2899F2893-H2897 PolarHBondContact O-N 3.38Å; F2893-H2897 VanDerWaalsContact O-N 3.12Å; F2895-H2897 VanDerWaalsContact C-N 3.32Å; F2895-H2897 PolarHBondContact O-N 3.14Å; H2897-F2899 VanDerWaalsContact C-N 3.31Å
2898N89.2Confident89.8Confident123.5 Ų123.561.3 Ų61.366%0.6629%0.29SS*.THydrogen-bonded Turntrans-83.4-8174.2-59.7-54.6000113.7G2894 F2895 L2896G2894-N2898 PolarHBondContact O-ND2 3.06Å; G2894-N2898 VanDerWaalsContact O-ND2 3.1Å; F2895-N2898 WeakPolarHBondContact O-CB 3.02Å; F2895-N2898 PolarHBondContact O-N 3.19Å; F2895-N2898 PolarHBondContact O-ND2 3.27Å; L2896-N2898 PolarHBondContact O-N 3.08Å
2899F90.2Very high90.1Very high31.5 Ų31.551.5 Ų51.514%0.13825%0.248CC..SBendtrans-120.2138.4-176.8-61.3-85000110.4F2895 L2896 H2897 D2903 L2904 L3035 F3111F2895-F2899 AromaticContact CD2-CE2 3.98Å; F2895-F2899 HydrophobicContact CD2-CE2 4.05Å; F2895-F2899 HydrophobicContact CE1-CE2 4.32Å; F2895-F2899 HydrophobicContact CE2-CD2 4.43Å; F2895-F2899 AromaticContact CE2-CE2 3.53Å; F2895-F2899 HydrophobicContact CE2-CE2 3.53Å; F2895-F2899 VanDerWaalsContact CE2-CE2 3.44Å; F2895-F2899 HydrophobicContact CE2-CZ 4.11Å; F2895-F2899 HydrophobicContact CZ-CD2 4.36Å; F2895-F2899 AromaticContact CZ-CE2 3.68Å; F2895-F2899 HydrophobicContact CZ-CE2 3.68Å; F2895-F2899 HydrophobicContact CZ-CZ 4.31Å; F2895-F2899 WeakPolarHBondContact O-CD2 3.09Å; L2896-F2899 PolarHBondContact O-N 2.84Å; L2896-F2899 VanDerWaalsContact O-N 3.13Å; H2897-F2899 VanDerWaalsContact C-N 3.31Å; F2899-D2903 HydrophobicContact CB-CB 4.27Å; F2899-D2903 HydrophobicContact CD1-CB 4.08Å; F2899-L2904 HydrophobicContact CB-CD1 3.74Å; F2899-L3035 HydrophobicContact CE1-CD1 3.99Å; F2899-L3035 HydrophobicContact CE2-CD1 4.38Å; F2899-L3035 HydrophobicContact CZ-CD1 3.49Å; F2899-L3035 VanDerWaalsContact CZ-CD1 3.49Å; F2899-F3111 HydrophobicContact CD1-CB 4.45Å; F2899-F3111 HydrophobicContact CD2-CD1 4.07Å; F2899-F3111 HydrophobicContact CE1-CB 4.26Å; F2899-F3111 HydrophobicContact CG-CD1 4.21Å; F2899-F3111 HydrophobicContact CZ-CB 4.31Å
2900E89.6Confident90.1Very high95 Ų9552.1 Ų52.144%0.44425%0.251SS..  trans-89.1165.3168.5-63.1172-15800110.1N2902 D2903 L2904 R3114E2900-N2902 PolarHBondContact O-N 3.35Å; E2900-N2902 VanDerWaalsContact O-N 3.11Å; E2900-D2903 PolarHBondContact N-OD2 3.39Å; E2900-D2903 WeakPolarHBondContact O-CB 3.42Å; E2900-D2903 PolarHBondContact O-N 2.82Å; E2900-L2904 WeakPolarHBondContact O-CD1 3.45Å; E2900-R3114 IonicContact OE1-CZ 2.72Å; E2900-R3114 IonicContact OE1-NH1 3.79Å; E2900-R3114 IonicContact OE1-NH2 3.01Å; E2900-R3114 IonicContact OE2-CZ 3.19Å; E2900-R3114 IonicContact OE2-NH1 2.67Å; E2900-R3114 IonicContact OE2-NH2 2.95Å; E2900-R3114 PolarHBondContact OE2-NH2 3.5Å
2901W91Very high90Very high103 Ų10343.8 Ų43.839%0.3922%0.217SC..G310 helixtrans-53-34.3176.864.3-84.5000113.2L2879 D2903 L2904L2879-W2901 HydrophobicContact CB-CB 4.44Å; L2879-W2901 HydrophobicContact CD2-CB 3.97Å; L2879-W2901 VanDerWaalsContact CD2-N 3.29Å; W2901-D2903 VanDerWaalsContact C-N 3.25Å; W2901-D2903 PolarHBondContact O-N 3.16Å; W2901-L2904 PolarHBondContact O-N 3.31Å
2902N89.9Confident89.9Confident52 Ų5242.4 Ų42.428%0.27821%0.209SC..G310 helixtrans-63.3-25.6175.4-86.4-43.3000114.1V2843 E2900 L2904 R2905V2843-N2902 HydrophobicContact CG1-CB 4.37Å; V2843-N2902 VanDerWaalsContact CG1-O 3.26Å; V2843-N2902 WeakPolarHBondContact CG1-O 3.38Å; V2843-N2902 HydrophobicContact CG2-CB 4.17Å; E2900-N2902 PolarHBondContact O-N 3.35Å; E2900-N2902 VanDerWaalsContact O-N 3.11Å; N2902-L2904 VanDerWaalsContact C-N 3.34Å; N2902-R2905 PolarHBondContact O-NH1 3.28Å
2903D91.7Very high89.9Confident3.5 Ų3.543.2 Ų43.22%0.01922%0.215CC..G310 helixtrans-85.3-13.9-177.4-57.5-52.9000112.3F2899 E2900 W2901 N3112 R3114F2899-D2903 HydrophobicContact CB-CB 4.27Å; F2899-D2903 HydrophobicContact CD1-CB 4.08Å; E2900-D2903 PolarHBondContact N-OD2 3.39Å; E2900-D2903 WeakPolarHBondContact O-CB 3.42Å; E2900-D2903 PolarHBondContact O-N 2.82Å; W2901-D2903 VanDerWaalsContact C-N 3.25Å; W2901-D2903 PolarHBondContact O-N 3.16Å; D2903-N3112 VanDerWaalsContact O-CB 3.23Å; D2903-N3112 WeakPolarHBondContact O-CB 3.46Å; D2903-N3112 PolarHBondContact O-N 3.37Å; D2903-N3112 PolarHBondContact O-ND2 3.2Å; D2903-R3114 WeakPolarHBondContact OD1-CG 3.46Å; D2903-R3114 IonicContact OD1-CZ 3.46Å; D2903-R3114 IonicContact OD1-NE 3.79Å; D2903-R3114 PolarHBondContact OD1-NE 3.41Å; D2903-R3114 IonicContact OD1-NH2 3.77Å; D2903-R3114 PolarHBondContact OD1-NH2 2.82Å; D2903-R3114 IonicContact OD2-CZ 3.49Å; D2903-R3114 IonicContact OD2-NE 3.82Å; D2903-R3114 PolarHBondContact OD2-NE 3.2Å; D2903-R3114 VanDerWaalsContact OD2-NE 3.13Å; D2903-R3114 IonicContact OD2-NH2 3.22Å; D2903-R3114 PolarHBondContact OD2-NH2 2.93Å
2904L92.9Very high89.6Confident0 Ų042.5 Ų42.50%023%0.228CC..EExtended strand (participates in β ladder)trans-93.5139.9179-76.874.2000111.4V2874 L2879 F2899 E2900 W2901 N2902 L3109 T3110 F3111V2874-L2904 HydrophobicContact CB-CB 4.26Å; V2874-L2904 HydrophobicContact CG2-CB 3.98Å; L2879-L2904 HydrophobicContact CD1-CD1 4.47Å; L2879-L2904 HydrophobicContact CD1-CD2 3.84Å; L2879-L2904 HydrophobicContact CD2-CD1 4.43Å; F2899-L2904 HydrophobicContact CB-CD1 3.74Å; E2900-L2904 WeakPolarHBondContact O-CD1 3.45Å; W2901-L2904 PolarHBondContact O-N 3.31Å; N2902-L2904 VanDerWaalsContact C-N 3.34Å; L2904-L3109 HydrophobicContact CD2-CD1 4.3Å; L2904-L3109 HydrophobicContact CD2-CD2 4.19Å; L2904-L3109 HydrophobicContact CD2-CG 4.45Å; L2904-T3110 WeakPolarHBondContact CA-O 3.34Å; L2904-F3111 HydrophobicContact CD1-CD1 4.04Å; L2904-F3111 HydrophobicContact CD1-CE1 4.3Å; L2904-F3111 HydrophobicContact CD2-CD1 4.01Å; L2904-F3111 HydrophobicContact CD2-CE1 3.58Å; L2904-F3111 HydrophobicContact CD2-CZ 4.26Å; L2904-F3111 HydrophobicContact CG-CD1 3.77Å; L2904-F3111 HydrophobicContact CG-CE1 3.9Å
2905R91.8Very high89.6Confident33 Ų3345 Ų4513%0.12523%0.232CC..EExtended strand (participates in β ladder)trans-131.1132.9166.6-67.1-66.6179.8-81.6-2.9110.6P2845 I2871 F2872 N2902 T3110P2845-R2905 HydrophobicContact CB-CG 4.05Å; I2871-R2905 HydrophobicContact CG2-CB 3.95Å; I2871-R2905 HydrophobicContact CG2-CG 4.1Å; F2872-R2905 WeakPolarHBondContact O-CA 3.35Å; F2872-R2905 WeakPolarHBondContact O-CD 3.24Å; N2902-R2905 PolarHBondContact O-NH1 3.28Å; R2905-T3110 WeakPolarHBondContact CB-OG1 3.36Å; R2905-T3110 PolarHBondContact N-O 3.38Å; R2905-T3110 PolarHBondContact O-N 3.29Å; R2905-T3110 PolarHBondContact O-OG1 3.37Å
2906Y90.9Very high89.5Confident2.5 Ų2.548.5 Ų48.51%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-93.5113.1176.4-176.1-92.7000108.6F2872 T2908 F3088 I3091 H3093 S3107 L3109F2872-Y2906 HydrophobicContact CD2-CD1 4.19Å; F2872-Y2906 PolarHBondContact N-O 3.36Å; F2872-Y2906 PolarHBondContact O-N 3.3Å; Y2906-T2908 HydrophobicContact CD1-CG2 4.16Å; Y2906-T2908 HydrophobicContact CE1-CG2 3.72Å; Y2906-F3088 HydrophobicContact CE2-CE2 4.28Å; Y2906-F3088 AromaticContact CE2-CZ 3.81Å; Y2906-F3088 HydrophobicContact CE2-CZ 3.81Å; Y2906-I3091 HydrophobicContact CD2-CG2 4.21Å; Y2906-H3093 HydrophobicContact CD1-CB 3.94Å; Y2906-H3093 HydrophobicContact CE1-CB 3.73Å; Y2906-S3107 WeakPolarHBondContact OH-CB 3.28Å; Y2906-S3107 PolarHBondContact OH-OG 2.95Å; Y2906-L3109 HydrophobicContact CD2-CD1 4.31Å
2907V91.8Very high89.4Confident0 Ų049 Ų490%025%0.253CS..EExtended strand (participates in β ladder)trans-107.4120.7-173.4-172.90000109.7C2849 F2851 N2870 I2871 S3107 V3108 T3110C2849-V2907 HydrophobicContact CB-CG1 4.39Å; F2851-V2907 HydrophobicContact CE2-CG1 3.77Å; F2851-V2907 HydrophobicContact CZ-CB 4.44Å; F2851-V2907 HydrophobicContact CZ-CG1 3.71Å; N2870-V2907 WeakPolarHBondContact O-CA 3.4Å; I2871-V2907 HydrophobicContact CG1-CG1 4.15Å; I2871-V2907 HydrophobicContact CG1-CG2 4.26Å; I2871-V2907 HydrophobicContact CG2-CG2 4.44Å; V2907-S3107 WeakPolarHBondContact O-CA 3.38Å; V2907-V3108 PolarHBondContact N-O 3.06Å; V2907-V3108 PolarHBondContact O-N 3Å; V2907-T3110 HydrophobicContact CG2-CG2 3.93Å
2908T89.7Confident89.3Confident7 Ų746.7 Ų46.74%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-92.8142.7174.3580000111.2S2866 N2870 F2872 Y2906 L3096 V3105S2866-T2908 PolarHBondContact OG-O 3.02Å; N2870-T2908 WeakPolarHBondContact CA-OG1 3.41Å; N2870-T2908 VanDerWaalsContact CB-OG1 3.32Å; N2870-T2908 WeakPolarHBondContact CB-OG1 3.36Å; N2870-T2908 PolarHBondContact ND2-OG1 3.35Å; N2870-T2908 PolarHBondContact O-N 2.92Å; N2870-T2908 PolarHBondContact O-OG1 3.12Å; F2872-T2908 HydrophobicContact CD2-CG2 4.12Å; F2872-T2908 HydrophobicContact CE2-CG2 3.8Å; Y2906-T2908 HydrophobicContact CD1-CG2 4.16Å; Y2906-T2908 HydrophobicContact CE1-CG2 3.72Å; T2908-L3096 HydrophobicContact CG2-CD1 4.21Å; T2908-V3105 HydrophobicContact CG2-CG1 4.2Å
2909I90.6Very high89.2Confident1 Ų142.1 Ų42.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-121.8116.1177.8-53.8173.8000106.1F2851 F2862 F2864 L3030 V3105 L3106 V3108F2851-I2909 HydrophobicContact CB-CD1 4.22Å; F2851-I2909 HydrophobicContact CD1-CD1 3.63Å; F2851-I2909 HydrophobicContact CD1-CG1 4.42Å; F2851-I2909 HydrophobicContact CD2-CD1 3.73Å; F2851-I2909 HydrophobicContact CD2-CG1 3.62Å; F2851-I2909 HydrophobicContact CD2-CG2 4.41Å; F2851-I2909 HydrophobicContact CE1-CD1 3.74Å; F2851-I2909 HydrophobicContact CE1-CG1 4.37Å; F2851-I2909 HydrophobicContact CE2-CD1 3.88Å; F2851-I2909 HydrophobicContact CE2-CG1 3.61Å; F2851-I2909 HydrophobicContact CG-CD1 3.58Å; F2851-I2909 HydrophobicContact CG-CG1 4.03Å; F2851-I2909 HydrophobicContact CZ-CD1 3.86Å; F2851-I2909 HydrophobicContact CZ-CG1 3.98Å; F2862-I2909 HydrophobicContact CE1-CG2 3.93Å; F2862-I2909 HydrophobicContact CZ-CG2 3.82Å; F2864-I2909 HydrophobicContact CB-CG2 4.14Å; F2864-I2909 HydrophobicContact CD1-CB 4.36Å; F2864-I2909 HydrophobicContact CD1-CG2 3.83Å; F2864-I2909 HydrophobicContact CG-CG2 4.18Å; I2909-L3030 HydrophobicContact CD1-CD1 4.27Å; I2909-V3105 WeakPolarHBondContact O-CG1 3.1Å; I2909-L3106 HydrophobicContact CB-CB 4.13Å; I2909-L3106 PolarHBondContact N-O 3.13Å; I2909-L3106 PolarHBondContact O-N 2.03Å; I2909-V3108 HydrophobicContact CD1-CG2 3.95Å
2910D86.4Confident89.2Confident64.5 Ų64.544.3 Ų44.335%0.34525%0.248SC..  trans-68.4143.9-179.9-58.8-19.3000109.6F2862 F2864 N2870 F2912F2862-D2910 WeakPolarHBondContact CZ-O 3.33Å; F2864-D2910 HydrophobicContact CD2-CB 4.23Å; F2864-D2910 HydrophobicContact CE1-CB 4.43Å; F2864-D2910 HydrophobicContact CE2-CB 3.61Å; F2864-D2910 WeakPolarHBondContact CE2-OD2 3.39Å; F2864-D2910 HydrophobicContact CZ-CB 3.73Å; F2864-D2910 WeakPolarHBondContact CZ-OD2 3.24Å; N2870-D2910 PolarHBondContact ND2-OD1 3.15Å; D2910-F2912 PolarHBondContact O-N 3.35Å; D2910-F2912 VanDerWaalsContact O-N 3.15Å
2911G85.2Confident89Confident7.5 Ų7.543.6 Ų43.68%0.07725%0.252CS..SBendtrans-64.4-20.4-175.200000114.3F2862 E3073 L3074 N3104F2862-G2911 WeakPolarHBondContact CE2-O 2.93Å; G2911-E3073 CarbonylContact O-C 3.57Å; G2911-E3073 VanDerWaalsContact O-CA 3.29Å; G2911-E3073 WeakPolarHBondContact O-CA 3.29Å; G2911-L3074 WeakPolarHBondContact CA-O 3.49Å; G2911-L3074 PolarHBondContact O-N 3.37Å; G2911-N3104 WeakPolarHBondContact CA-O 3.27Å; G2911-N3104 PolarHBondContact N-O 3.01Å
2912F87.6Confident88.9Confident106 Ų10643 Ų4347%0.46526%0.261SS..BIsolated β-bridgetrans-91.7133.3179.4-62.9-79.3000111.7F2862 D2910 G2914 E3073F2862-F2912 VanDerWaalsContact CE2-C 3.47Å; D2910-F2912 PolarHBondContact O-N 3.35Å; D2910-F2912 VanDerWaalsContact O-N 3.15Å; F2912-G2914 PolarHBondContact O-N 3.13Å; F2912-E3073 HydrophobicContact CD1-CB 4.13Å; F2912-E3073 HydrophobicContact CD1-CG 3.92Å; F2912-E3073 HydrophobicContact CE1-CB 4.18Å; F2912-E3073 VanDerWaalsContact CE1-CD 3.41Å; F2912-E3073 HydrophobicContact CE1-CG 3.72Å; F2912-E3073 HydrophobicContact CZ-CG 4.27Å; F2912-E3073 WeakPolarHBondContact CZ-OE1 3.25Å
2913S88Confident88.9Confident16.5 Ų16.541.6 Ų41.612%0.11526%0.255CS..  trans-59.6132.7171.1-175.80000110.3F2862 E2863 N2915 W3072F2862-S2913 VanDerWaalsContact CE2-N 3.34Å; E2863-S2913 PolarHBondContact N-OG 3.2Å; E2863-S2913 VanDerWaalsContact N-OG 3.15Å; E2863-S2913 PolarHBondContact O-OG 3.23Å; S2913-N2915 WeakPolarHBondContact CB-O 3.24Å; S2913-N2915 PolarHBondContact O-N 3.37Å; S2913-N2915 PolarHBondContact OG-N 3.28Å; S2913-N2915 PolarHBondContact OG-O 3.06Å; S2913-W3072 WeakPolarHBondContact CB-O 3.38Å; S2913-W3072 PolarHBondContact N-O 2.92Å
2914G84.5Confident88.8Confident57 Ų5742.9 Ų42.959%0.58826%0.26SS*.SBendtrans-70.5-17174.500000113.2E2863 F2912E2863-G2914 PolarHBondContact O-N 2.93Å; F2912-G2914 PolarHBondContact O-N 3.13Å
2915N87.9Confident88.6Confident88 Ų8848.7 Ų48.747%0.47129%0.288SS..SBendtrans-121.6145.5180-70.2-23.7000111.4E2863 S2913E2863-N2915 PolarHBondContact OE2-ND2 3.09Å; S2913-N2915 WeakPolarHBondContact CB-O 3.24Å; S2913-N2915 PolarHBondContact O-N 3.37Å; S2913-N2915 PolarHBondContact OG-N 3.28Å; S2913-N2915 PolarHBondContact OG-O 3.06Å
2916I89.6Confident88.5Confident92.5 Ų92.549 Ų4947%0.47430%0.297SS..  trans-69.3145.5170.1-62156.3000109.1A2918 Q3069 T3070I2916-A2918 PolarHBondContact O-N 2.93Å; I2916-Q3069 VanDerWaalsContact CD1-OE1 3.23Å; I2916-Q3069 HydrophobicContact CG2-CB 3.96Å; I2916-Q3069 HydrophobicContact CG2-CG 4.36Å; I2916-T3070 WeakPolarHBondContact CG2-O 3.45Å
2917W89.8Confident88.4Confident11.5 Ų11.549 Ų494%0.04430%0.297CS..  trans-76.691.2-177.4-17439.1000112.2P2860 T2861 I2919 Y2924 L2927 L2980 I3061 T3070 W3072P2860-W2917 VanDerWaalsContact O-CD1 3.25Å; T2861-W2917 HydrophobicContact CG2-CD2 4.44Å; T2861-W2917 HydrophobicContact CG2-CZ2 3.93Å; W2917-I2919 VanDerWaalsContact C-N 3.28Å; W2917-I2919 HydrophobicContact CD2-CB 4.14Å; W2917-I2919 HydrophobicContact CD2-CG2 3.7Å; W2917-I2919 HydrophobicContact CE3-CG2 3.84Å; W2917-I2919 HydrophobicContact CG-CG2 4.37Å; W2917-I2919 HydrophobicContact CH2-CD1 3.97Å; W2917-I2919 HydrophobicContact CH2-CG2 3.97Å; W2917-I2919 HydrophobicContact CZ2-CB 4Å; W2917-I2919 HydrophobicContact CZ2-CD1 3.37Å; W2917-I2919 HydrophobicContact CZ2-CG1 4.26Å; W2917-I2919 HydrophobicContact CZ2-CG2 3.84Å; W2917-I2919 HydrophobicContact CZ3-CG2 3.97Å; W2917-I2919 PolarHBondContact O-N 3.18Å; W2917-Y2924 AromaticContact CH2-CD2 3.86Å; W2917-Y2924 HydrophobicContact CH2-CD2 3.86Å; W2917-Y2924 AromaticContact CH2-CE2 3.76Å; W2917-Y2924 HydrophobicContact CH2-CE2 3.89Å; W2917-Y2924 HydrophobicContact CZ3-CD2 4.06Å; W2917-Y2924 AromaticContact CZ3-CE2 3.81Å; W2917-Y2924 HydrophobicContact CZ3-CE2 3.81Å; W2917-L2927 HydrophobicContact CH2-CD2 4.06Å; W2917-L2927 HydrophobicContact CZ2-CD2 3.95Å; W2917-L2980 HydrophobicContact CH2-CD2 3.81Å; W2917-L2980 HydrophobicContact CZ3-CD2 3.87Å; W2917-I3061 HydrophobicContact CE3-CD1 4.38Å; W2917-I3061 HydrophobicContact CZ3-CD1 4.15Å; W2917-T3070 WeakPolarHBondContact CB-O 3.12Å; W2917-T3070 PolarHBondContact N-O 3.35Å; W2917-W3072 AromaticContact CD2-NE1 3.4Å; W2917-W3072 AromaticContact CE2-NE1 3.93Å; W2917-W3072 HydrophobicContact CE3-CZ2 4.46Å; W2917-W3072 AromaticContact CE3-NE1 3.38Å; W2917-W3072 AromaticContact CG-NE1 3.76Å; W2917-W3072 HydrophobicContact CH2-CZ2 4.29Å; W2917-W3072 HydrophobicContact CZ3-CZ2 4.1Å; W2917-W3072 AromaticContact CZ3-NE1 3.88Å
2918A86.8Confident88.3Confident85 Ų8550.8 Ų50.870%0.70231%0.306SS*.  trans-79.556.7-177.600000113.7I2916I2916-A2918 PolarHBondContact O-N 2.93Å
2919I88Confident88.3Confident27.5 Ų27.557 Ų5714%0.14134%0.336CS..  trans-83.9132.8175.1-168.1165.1000111.4W2917 S2923 Y2924 L2927W2917-I2919 VanDerWaalsContact C-N 3.28Å; W2917-I2919 HydrophobicContact CD2-CB 4.14Å; W2917-I2919 HydrophobicContact CD2-CG2 3.7Å; W2917-I2919 HydrophobicContact CE3-CG2 3.84Å; W2917-I2919 HydrophobicContact CG-CG2 4.37Å; W2917-I2919 HydrophobicContact CH2-CD1 3.97Å; W2917-I2919 HydrophobicContact CH2-CG2 3.97Å; W2917-I2919 HydrophobicContact CZ2-CB 4Å; W2917-I2919 HydrophobicContact CZ2-CD1 3.37Å; W2917-I2919 HydrophobicContact CZ2-CG1 4.26Å; W2917-I2919 HydrophobicContact CZ2-CG2 3.84Å; W2917-I2919 HydrophobicContact CZ3-CG2 3.97Å; W2917-I2919 PolarHBondContact O-N 3.18Å; I2919-S2923 WeakPolarHBondContact CG1-OG 3.47Å; I2919-Y2924 HydrophobicContact CD1-CD2 4.32Å; I2919-Y2924 HydrophobicContact CG2-CD2 3.95Å; I2919-L2927 HydrophobicContact CD1-CD2 4.11Å
2920T88.9Confident88.2Confident78 Ų7861.7 Ų61.748%0.47936%0.357SS..  trans-76.5146.4177.3700000110.8P2922 S2923 Y2924T2920-P2922 VanDerWaalsContact C-CD 3.49Å; T2920-P2922 VanDerWaalsContact C-N 3.35Å; T2920-S2923 WeakPolarHBondContact CA-OG 3.4Å; T2920-S2923 PolarHBondContact N-OG 3.35Å; T2920-S2923 VanDerWaalsContact N-OG 3.13Å; T2920-S2923 CarbonylContact O-C 3.59Å; T2920-S2923 WeakPolarHBondContact O-CA 3.33Å; T2920-S2923 PolarHBondContact O-N 2.94Å; T2920-S2923 PolarHBondContact O-OG 3.03Å; T2920-S2923 WeakPolarHBondContact OG1-CB 3.34Å; T2920-S2923 PolarHBondContact OG1-N 3.46Å; T2920-S2923 PolarHBondContact OG1-OG 3.28Å; T2920-Y2924 PolarHBondContact O-N 3.07Å
2921P85.6Confident88.3Confident80.5 Ų80.558.9 Ų58.952%0.52334%0.342SS..Hα-helixtrans-53.8-40.3-178.5-25.432.9000115S2923 Y2924 Q2925 F2987P2921-S2923 PolarHBondContact O-N 3.45Å; P2921-Y2924 WeakPolarHBondContact O-CB 3.32Å; P2921-Y2924 PolarHBondContact O-N 3.09Å; P2921-Q2925 WeakPolarHBondContact O-CG 3.29Å; P2921-Q2925 PolarHBondContact O-N 2.99Å; P2921-F2987 HydrophobicContact CB-CE1 3.98Å; P2921-F2987 HydrophobicContact CB-CZ 4.12Å; P2921-F2987 HydrophobicContact CG-CE1 3.91Å; P2921-F2987 HydrophobicContact CG-CZ 4.24Å
2922P89.9Confident88.4Confident90.5 Ų90.568.1 Ų68.159%0.58837%0.374SS*.Hα-helixtrans-64.2-39174.2-22.734.8000112.9T2920 Y2924 Q2925 A2926T2920-P2922 VanDerWaalsContact C-CD 3.49Å; T2920-P2922 VanDerWaalsContact C-N 3.35Å; P2922-Y2924 VanDerWaalsContact C-N 3.33Å; P2922-Q2925 PolarHBondContact O-N 3.22Å; P2922-A2926 WeakPolarHBondContact O-CB 3.41Å; P2922-A2926 PolarHBondContact O-N 3Å
2923S90.3Very high88.3Confident21.5 Ų21.565.2 Ų65.215%0.1537%0.367CS..Hα-helixtrans-70.5-32.4176.762.50000112.6F2858 I2919 T2920 P2921 A2926 L2927F2858-S2923 VanDerWaalsContact CE1-O 3.25Å; F2858-S2923 WeakPolarHBondContact CE1-O 3.44Å; I2919-S2923 WeakPolarHBondContact CG1-OG 3.47Å; T2920-S2923 WeakPolarHBondContact CA-OG 3.4Å; T2920-S2923 PolarHBondContact N-OG 3.35Å; T2920-S2923 VanDerWaalsContact N-OG 3.13Å; T2920-S2923 CarbonylContact O-C 3.59Å; T2920-S2923 WeakPolarHBondContact O-CA 3.33Å; T2920-S2923 PolarHBondContact O-N 2.94Å; T2920-S2923 PolarHBondContact O-OG 3.03Å; T2920-S2923 WeakPolarHBondContact OG1-CB 3.34Å; T2920-S2923 PolarHBondContact OG1-N 3.46Å; T2920-S2923 PolarHBondContact OG1-OG 3.28Å; P2921-S2923 PolarHBondContact O-N 3.45Å; S2923-A2926 PolarHBondContact O-N 3.04Å; S2923-L2927 WeakPolarHBondContact O-CB 3.25Å; S2923-L2927 PolarHBondContact O-N 2.94Å
2924Y87.9Confident87.9Confident31 Ų3169.5 Ų69.512%0.12239%0.394CS..Hα-helixtrans-64.8-47173-175-94.6000111.5W2917 I2919 T2920 P2921 P2922 A2926 L2927 L2928 L2980 T2983 N2984W2917-Y2924 AromaticContact CH2-CD2 3.86Å; W2917-Y2924 HydrophobicContact CH2-CD2 3.86Å; W2917-Y2924 AromaticContact CH2-CE2 3.76Å; W2917-Y2924 HydrophobicContact CH2-CE2 3.89Å; W2917-Y2924 HydrophobicContact CZ3-CD2 4.06Å; W2917-Y2924 AromaticContact CZ3-CE2 3.81Å; W2917-Y2924 HydrophobicContact CZ3-CE2 3.81Å; I2919-Y2924 HydrophobicContact CD1-CD2 4.32Å; I2919-Y2924 HydrophobicContact CG2-CD2 3.95Å; T2920-Y2924 PolarHBondContact O-N 3.07Å; P2921-Y2924 WeakPolarHBondContact O-CB 3.32Å; P2921-Y2924 PolarHBondContact O-N 3.09Å; P2922-Y2924 VanDerWaalsContact C-N 3.33Å; Y2924-A2926 VanDerWaalsContact C-N 3.34Å; Y2924-A2926 PolarHBondContact O-N 3.24Å; Y2924-L2927 WeakPolarHBondContact O-CB 3.33Å; Y2924-L2927 PolarHBondContact O-N 3.26Å; Y2924-L2928 HydrophobicContact CD1-CD1 3.89Å; Y2924-L2928 HydrophobicContact CD1-CG 4.49Å; Y2924-L2928 HydrophobicContact CE1-CD1 3.58Å; Y2924-L2928 HydrophobicContact CE1-CG 4.3Å; Y2924-L2928 PolarHBondContact O-N 3.15Å; Y2924-L2980 HydrophobicContact CE2-CD2 4.02Å; Y2924-L2980 PolarHBondContact OH-O 2.89Å; Y2924-T2983 PolarHBondContact OH-OG1 3Å; Y2924-T2983 VanDerWaalsContact OH-OG1 3.11Å; Y2924-N2984 WeakPolarHBondContact CE1-OD1 3.35Å; Y2924-N2984 PolarHBondContact OH-OD1 3.26Å; Y2924-N2984 VanDerWaalsContact OH-OD1 3.13Å
2925Q89.1Confident87.7Confident122.5 Ų122.575.5 Ų75.557%0.57241%0.407SS*.Hα-helixtrans-62-40.7173.8-70.3177.4-4.800111.9P2921 P2922 L2927 L2928 M2929P2921-Q2925 WeakPolarHBondContact O-CG 3.29Å; P2921-Q2925 PolarHBondContact O-N 2.99Å; P2922-Q2925 PolarHBondContact O-N 3.22Å; Q2925-L2927 VanDerWaalsContact C-N 3.34Å; Q2925-L2927 PolarHBondContact O-N 3.41Å; Q2925-L2928 WeakPolarHBondContact O-CB 3.39Å; Q2925-L2928 PolarHBondContact O-N 3.15Å; Q2925-M2929 WeakPolarHBondContact O-CG 3.4Å; Q2925-M2929 PolarHBondContact O-N 3.12Å
2926A90Very high87.4Confident38.5 Ų38.572.3 Ų72.332%0.31839%0.392SS..Hα-helixtrans-65.8-35175.800000112.9F2858 P2922 S2923 Y2924 K2930F2858-A2926 HydrophobicContact CE1-CB 4.04Å; F2858-A2926 HydrophobicContact CZ-CB 4.13Å; P2922-A2926 WeakPolarHBondContact O-CB 3.41Å; P2922-A2926 PolarHBondContact O-N 3Å; S2923-A2926 PolarHBondContact O-N 3.04Å; Y2924-A2926 VanDerWaalsContact C-N 3.34Å; Y2924-A2926 PolarHBondContact O-N 3.24Å; A2926-K2930 WeakPolarHBondContact O-CB 3.23Å; A2926-K2930 WeakPolarHBondContact O-CG 3.34Å; A2926-K2930 PolarHBondContact O-N 3.17Å
2927L89.9Confident87.1Confident1.5 Ų1.573.5 Ų73.51%0.00840%0.399CS..Hα-helixtrans-65.1-47.1172.4173.761.5000110.6F2855 F2858 W2917 I2919 S2923 Y2924 Q2925 M2929 K2930 L2931 L2938 L2980F2855-L2927 HydrophobicContact CB-CD1 4.24Å; F2858-L2927 HydrophobicContact CD1-CB 4.4Å; F2858-L2927 HydrophobicContact CD2-CB 4.08Å; F2858-L2927 HydrophobicContact CD2-CD1 3.63Å; F2858-L2927 HydrophobicContact CD2-CG 4.33Å; F2858-L2927 HydrophobicContact CE1-CB 4.13Å; F2858-L2927 HydrophobicContact CE2-CB 3.79Å; F2858-L2927 HydrophobicContact CE2-CD1 3.65Å; F2858-L2927 HydrophobicContact CE2-CG 4.31Å; F2858-L2927 HydrophobicContact CG-CB 4.38Å; F2858-L2927 HydrophobicContact CG-CD1 4.39Å; F2858-L2927 VanDerWaalsContact CZ-CA 3.47Å; F2858-L2927 HydrophobicContact CZ-CB 3.82Å; F2858-L2927 HydrophobicContact CZ-CD1 4.44Å; W2917-L2927 HydrophobicContact CH2-CD2 4.06Å; W2917-L2927 HydrophobicContact CZ2-CD2 3.95Å; I2919-L2927 HydrophobicContact CD1-CD2 4.11Å; S2923-L2927 WeakPolarHBondContact O-CB 3.25Å; S2923-L2927 PolarHBondContact O-N 2.94Å; Y2924-L2927 WeakPolarHBondContact O-CB 3.33Å; Y2924-L2927 PolarHBondContact O-N 3.26Å; Q2925-L2927 VanDerWaalsContact C-N 3.34Å; Q2925-L2927 PolarHBondContact O-N 3.41Å; L2927-M2929 VanDerWaalsContact C-N 3.34Å; L2927-M2929 PolarHBondContact O-N 3.34Å; L2927-K2930 CarbonylContact O-C 3.6Å; L2927-K2930 PolarHBondContact O-N 3.12Å; L2927-K2930 VanDerWaalsContact O-N 3.15Å; L2927-L2931 HydrophobicContact CD1-CD1 3.95Å; L2927-L2931 HydrophobicContact CD1-CG 4.12Å; L2927-L2931 HydrophobicContact CG-CD1 3.98Å; L2927-L2931 WeakPolarHBondContact O-CG 3.32Å; L2927-L2931 PolarHBondContact O-N 3.11Å; L2927-L2938 HydrophobicContact CD1-CD2 4.21Å; L2927-L2980 HydrophobicContact CD2-CD1 4.11Å; L2927-L2980 HydrophobicContact CG-CD1 4.33Å
2928L88.3Confident87.1Confident38 Ų3873.4 Ų73.420%0.19940%0.399CS..Hα-helixtrans-58.7-44.3176-116.9125.8000112Y2924 Q2925 K2930 L2931 R2932 L2977 L2980Y2924-L2928 HydrophobicContact CD1-CD1 3.89Å; Y2924-L2928 HydrophobicContact CD1-CG 4.49Å; Y2924-L2928 HydrophobicContact CE1-CD1 3.58Å; Y2924-L2928 HydrophobicContact CE1-CG 4.3Å; Y2924-L2928 PolarHBondContact O-N 3.15Å; Q2925-L2928 WeakPolarHBondContact O-CB 3.39Å; Q2925-L2928 PolarHBondContact O-N 3.15Å; L2928-K2930 PolarHBondContact O-N 3.08Å; L2928-L2931 PolarHBondContact O-N 2.93Å; L2928-R2932 WeakPolarHBondContact O-CB 3.39Å; L2928-R2932 PolarHBondContact O-N 3.43Å; L2928-L2977 HydrophobicContact CD1-CD1 3.42Å; L2928-L2977 VanDerWaalsContact CD1-CD1 3.42Å; L2928-L2977 HydrophobicContact CD2-CD1 3.81Å; L2928-L2977 HydrophobicContact CG-CD1 3.89Å; L2928-L2980 HydrophobicContact CD1-CB 4.39Å; L2928-L2980 HydrophobicContact CD2-CB 3.79Å; L2928-L2980 HydrophobicContact CD2-CD1 4.42Å
2929M89.1Confident87.3Confident137.5 Ų137.571.9 Ų71.968%0.67738%0.379SS*.Hα-helixtrans-61.9-41.9175.2-73.8-120.8-163.100112.2Q2925 L2927 R2932 S2933Q2925-M2929 WeakPolarHBondContact O-CG 3.4Å; Q2925-M2929 PolarHBondContact O-N 3.12Å; L2927-M2929 VanDerWaalsContact C-N 3.34Å; L2927-M2929 PolarHBondContact O-N 3.34Å; M2929-R2932 PolarHBondContact O-N 2.86Å; M2929-S2933 PolarHBondContact O-N 3.28Å; M2929-S2933 VanDerWaalsContact O-N 3.17Å; M2929-S2933 PolarHBondContact O-OG 3.26Å
2930K89.1Confident87.4Confident101 Ų10170.8 Ų70.844%0.43937%0.373SS..Hα-helixtrans-67.7-34.6175.6-76.5-177.6-176.4177.50112.4F2858 A2926 L2927 L2928 S2933 S2936 L2938F2858-K2930 HydrophobicContact CE2-CD 3.84Å; F2858-K2930 HydrophobicContact CZ-CD 3.89Å; A2926-K2930 WeakPolarHBondContact O-CB 3.23Å; A2926-K2930 WeakPolarHBondContact O-CG 3.34Å; A2926-K2930 PolarHBondContact O-N 3.17Å; L2927-K2930 CarbonylContact O-C 3.6Å; L2927-K2930 PolarHBondContact O-N 3.12Å; L2927-K2930 VanDerWaalsContact O-N 3.15Å; L2928-K2930 PolarHBondContact O-N 3.08Å; K2930-S2933 WeakPolarHBondContact CA-OG 3.43Å; K2930-S2933 PolarHBondContact O-N 3.43Å; K2930-S2933 PolarHBondContact O-OG 3.22Å; K2930-S2936 VanDerWaalsContact O-CB 3.3Å; K2930-S2936 WeakPolarHBondContact O-CB 3.28Å; K2930-S2936 PolarHBondContact O-OG 3.15Å; K2930-L2938 HydrophobicContact CD-CD1 4.49Å
2931L88Confident87.6Confident5.5 Ų5.569 Ų693%0.02936%0.36CS..Hα-helixtrans-72.7-34.5176.5-72.5170000112.8L2927 L2928 S2933 L2938 L2968 K2973 L2976 L2977 L2980L2927-L2931 HydrophobicContact CD1-CD1 3.95Å; L2927-L2931 HydrophobicContact CD1-CG 4.12Å; L2927-L2931 HydrophobicContact CG-CD1 3.98Å; L2927-L2931 WeakPolarHBondContact O-CG 3.32Å; L2927-L2931 PolarHBondContact O-N 3.11Å; L2928-L2931 PolarHBondContact O-N 2.93Å; L2931-S2933 VanDerWaalsContact C-N 3.34Å; L2931-L2938 HydrophobicContact CD2-CD2 3.44Å; L2931-L2938 VanDerWaalsContact CD2-CD2 3.44Å; L2931-L2938 HydrophobicContact CG-CD2 4.07Å; L2931-L2968 HydrophobicContact CD2-CD2 4.39Å; L2931-K2973 HydrophobicContact CD2-CB 4.29Å; L2931-K2973 HydrophobicContact CD2-CG 4.29Å; L2931-L2976 HydrophobicContact CD1-CB 4.37Å; L2931-L2976 HydrophobicContact CD1-CD2 3.91Å; L2931-L2976 HydrophobicContact CD1-CG 3.92Å; L2931-L2976 HydrophobicContact CD2-CB 4.44Å; L2931-L2976 HydrophobicContact CD2-CD2 3.8Å; L2931-L2976 HydrophobicContact CD2-CG 4.39Å; L2931-L2976 HydrophobicContact CG-CD2 4.46Å; L2931-L2977 HydrophobicContact CB-CB 4.33Å; L2931-L2977 HydrophobicContact CB-CD1 4.16Å; L2931-L2980 HydrophobicContact CD1-CD1 3.53Å
2932R88Confident88Confident201 Ų20165.3 Ų65.376%0.75834%0.335SS*.Hα-helixtrans-71.4-27.9176.8-169.2174.2-174.8166.52.5113.2L2928 M2929 P2934 L2977L2928-R2932 WeakPolarHBondContact O-CB 3.39Å; L2928-R2932 PolarHBondContact O-N 3.43Å; M2929-R2932 PolarHBondContact O-N 2.86Å; R2932-P2934 WeakPolarHBondContact O-CD 3.3Å; R2932-L2977 HydrophobicContact CB-CD1 4.46Å; R2932-L2977 HydrophobicContact CB-CD2 4.13Å; R2932-L2977 HydrophobicContact CG-CD2 4.33Å
2933S85.8Confident88.2Confident45 Ų4563 Ų6332%0.31532%0.317SS..  trans-80.2118.3176.7108.40000110.9M2929 K2930 L2931 E2935 S2936 K2973M2929-S2933 PolarHBondContact O-N 3.28Å; M2929-S2933 VanDerWaalsContact O-N 3.17Å; M2929-S2933 PolarHBondContact O-OG 3.26Å; K2930-S2933 WeakPolarHBondContact CA-OG 3.43Å; K2930-S2933 PolarHBondContact O-N 3.43Å; K2930-S2933 PolarHBondContact O-OG 3.22Å; L2931-S2933 VanDerWaalsContact C-N 3.34Å; S2933-E2935 VanDerWaalsContact C-N 3.27Å; S2933-E2935 PolarHBondContact O-N 3.16Å; S2933-S2936 PolarHBondContact O-N 2.98Å; S2933-S2936 PolarHBondContact O-OG 3.06Å; S2933-K2973 PolarHBondContact O-NZ 2.77Å
2934P80.2Confident88.4Confident105 Ų10562 Ų6268%0.68231%0.31SS*.THydrogen-bonded Turntrans-65.9-32.4178.825.6-32.3000112R2932 S2936 K2973R2932-P2934 WeakPolarHBondContact O-CD 3.3Å; P2934-S2936 VanDerWaalsContact C-N 3.27Å; P2934-S2936 PolarHBondContact O-N 2.93Å; P2934-K2973 PolarHBondContact O-NZ 3.16Å
2935E80.2Confident88.6Confident183.5 Ų183.564.1 Ų64.186%0.85732%0.319SS*.THydrogen-bonded Turntrans-74.7-8.2-177.6-60.4-177.1164.300114.5S2933 D2937S2933-E2935 VanDerWaalsContact C-N 3.27Å; S2933-E2935 PolarHBondContact O-N 3.16Å; E2935-D2937 PolarHBondContact O-N 3.01Å
2936S81.3Confident88.8Confident21.5 Ų21.558.3 Ų58.315%0.1529%0.292CS..  trans-69126.9-176.965.80000112.4K2930 S2933 P2934 L2938 K2973K2930-S2936 VanDerWaalsContact O-CB 3.3Å; K2930-S2936 WeakPolarHBondContact O-CB 3.28Å; K2930-S2936 PolarHBondContact O-OG 3.15Å; S2933-S2936 PolarHBondContact O-N 2.98Å; S2933-S2936 PolarHBondContact O-OG 3.06Å; P2934-S2936 VanDerWaalsContact C-N 3.27Å; P2934-S2936 PolarHBondContact O-N 2.93Å; S2936-L2938 PolarHBondContact O-N 3.21Å; S2936-K2973 PolarHBondContact O-NZ 3.03Å; S2936-K2973 PolarHBondContact OG-NZ 3.12Å; S2936-K2973 VanDerWaalsContact OG-NZ 3.15Å
2937D83.5Confident88.8Confident118 Ų11861.8 Ų61.863%0.63130%0.297SS*.  trans-8061.9171.6-99.3-5.4000110.9E2935 L2939 K2967E2935-D2937 PolarHBondContact O-N 3.01Å; D2937-L2939 PolarHBondContact O-N 2.95Å; D2937-K2967 VanDerWaalsContact OD1-CE 3.25Å; D2937-K2967 WeakPolarHBondContact OD1-CE 3.35Å; D2937-K2967 IonicContact OD1-NZ 2.64Å; D2937-K2967 PolarHBondContact OD1-NZ 3.21Å; D2937-K2967 WeakPolarHBondContact OD2-CE 3.23Å; D2937-K2967 IonicContact OD2-NZ 3.3Å; D2937-K2967 PolarHBondContact OD2-NZ 3.1Å
2938L88.9Confident88.7Confident8.5 Ų8.562 Ų625%0.04530%0.298CS..  trans-77.6117.3175-16867.7000110F2855 F2858 L2927 K2930 L2931 S2936 L2968F2855-L2938 HydrophobicContact CB-CD1 4.44Å; F2855-L2938 HydrophobicContact CB-CD2 4.47Å; F2858-L2938 HydrophobicContact CE2-CD1 4.37Å; L2927-L2938 HydrophobicContact CD1-CD2 4.21Å; K2930-L2938 HydrophobicContact CD-CD1 4.49Å; L2931-L2938 HydrophobicContact CD2-CD2 3.44Å; L2931-L2938 VanDerWaalsContact CD2-CD2 3.44Å; L2931-L2938 HydrophobicContact CG-CD2 4.07Å; S2936-L2938 PolarHBondContact O-N 3.21Å; L2938-L2968 HydrophobicContact CD2-CD2 4.33Å; L2938-L2968 HydrophobicContact CG-CD1 4.43Å; L2938-L2968 WeakPolarHBondContact O-CD1 3.32Å; L2938-L2968 PolarHBondContact O-N 3.25Å; L2938-L2968 VanDerWaalsContact O-N 3.12Å
2939L91.4Very high88.3Confident53 Ų5363.4 Ų63.428%0.27731%0.311SS..EExtended strand (participates in β ladder)trans-93145.4175.3-64.1169.5000110.4F2855 G2856 D2937 R2966 K2967F2855-L2939 CarbonylContact C-O 3.57Å; G2856-L2939 PolarHBondContact N-O 3.19Å; D2937-L2939 PolarHBondContact O-N 2.95Å; L2939-R2966 CarbonylContact C-O 3.56Å; L2939-R2966 WeakPolarHBondContact CA-O 3.35Å; L2939-K2967 HydrophobicContact CD2-CB 4.38Å; L2939-K2967 HydrophobicContact CD2-CG 3.58Å
2940L91.1Very high87.3Confident4.5 Ų4.560.7 Ų60.72%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-92126.1159.8176.664.2000107.1F2853 F2855 S2965 R2966 L2968 L3026 V3029F2853-L2940 HydrophobicContact CD1-CD1 4.42Å; F2855-L2940 HydrophobicContact CD1-CD1 3.86Å; F2855-L2940 HydrophobicContact CE1-CD1 3.63Å; F2855-L2940 HydrophobicContact CZ-CD1 4.31Å; L2940-S2965 CarbonylContact O-C 3.53Å; L2940-S2965 VanDerWaalsContact O-CA 3.28Å; L2940-S2965 WeakPolarHBondContact O-CA 3.33Å; L2940-R2966 PolarHBondContact N-O 3.37Å; L2940-R2966 PolarHBondContact O-N 3.34Å; L2940-L2968 HydrophobicContact CB-CD1 3.71Å; L2940-L2968 VanDerWaalsContact N-CD1 3.3Å; L2940-L3026 HydrophobicContact CD1-CD1 4.4Å; L2940-L3026 HydrophobicContact CD2-CD1 3.9Å; L2940-V3029 HydrophobicContact CD2-CB 4.12Å; L2940-V3029 HydrophobicContact CD2-CG1 3.59Å; L2940-V3029 HydrophobicContact CD2-CG2 3.51Å
2941H93.1Very high86.1Confident40 Ų4060 Ų6019%0.18530%0.299CS..EExtended strand (participates in β ladder)trans-109.4126.1174.2-61.8-72.1000109.6F2853 S2854 G2856 I2963 F2964 S2965F2853-H2941 CarbonylContact C-O 3.6Å; F2853-H2941 WeakPolarHBondContact CA-O 3.29Å; S2854-H2941 PolarHBondContact N-O 3.17Å; S2854-H2941 PolarHBondContact O-N 2.8Å; S2854-H2941 WeakPolarHBondContact OG-CB 3.38Å; G2856-H2941 PolarHBondContact O-CD2 3.18Å; H2941-I2963 HydrophobicContact CB-CG2 3.88Å; H2941-F2964 WeakPolarHBondContact CA-O 2.98Å; H2941-S2965 PolarHBondContact CE1-OG 2.96Å; H2941-S2965 WeakPolarHBondContact ND1-CB 3.25Å; H2941-S2965 PolarHBondContact ND1-OG 3.46Å
2942F93Very high84.7Confident3 Ų368.8 Ų68.81%0.01334%0.34CS..EExtended strand (participates in β ladder)trans-105.6110.7163.9171.1-112.8000108.2F2851 S2852 F2853 M2944 I2963 F2964 L3030 P3031F2851-F2942 HydrophobicContact CB-CE2 4.17Å; F2851-F2942 AromaticContact CD1-CE2 3.88Å; F2851-F2942 HydrophobicContact CD1-CE2 3.88Å; F2851-F2942 AromaticContact CD1-CZ 3.58Å; F2851-F2942 HydrophobicContact CD1-CZ 3.58Å; F2851-F2942 HydrophobicContact CE1-CZ 4.19Å; F2851-F2942 HydrophobicContact CG-CE2 4.49Å; S2852-F2942 CarbonylContact O-C 3.56Å; S2852-F2942 WeakPolarHBondContact O-CA 3.25Å; F2853-F2942 HydrophobicContact CD1-CB 3.92Å; F2853-F2942 AromaticContact CD1-CD2 3.85Å; F2853-F2942 HydrophobicContact CD1-CD2 3.85Å; F2853-F2942 HydrophobicContact CD1-CG 4.33Å; F2853-F2942 HydrophobicContact CD2-CD2 4.34Å; F2853-F2942 HydrophobicContact CE1-CB 3.63Å; F2853-F2942 AromaticContact CE1-CD2 3.28Å; F2853-F2942 HydrophobicContact CE1-CD2 3.28Å; F2853-F2942 HydrophobicContact CE1-CE2 4.18Å; F2853-F2942 AromaticContact CE1-CG 3.74Å; F2853-F2942 HydrophobicContact CE1-CG 3.74Å; F2853-F2942 AromaticContact CE2-CD2 3.86Å; F2853-F2942 HydrophobicContact CE2-CD2 3.86Å; F2853-F2942 AromaticContact CE2-CE2 3.98Å; F2853-F2942 HydrophobicContact CE2-CE2 4.1Å; F2853-F2942 HydrophobicContact CG-CD2 4.35Å; F2853-F2942 HydrophobicContact CZ-CB 4.45Å; F2853-F2942 AromaticContact CZ-CD2 3.31Å; F2853-F2942 HydrophobicContact CZ-CD2 3.31Å; F2853-F2942 AromaticContact CZ-CE2 3.75Å; F2853-F2942 HydrophobicContact CZ-CE2 3.75Å; F2853-F2942 HydrophobicContact CZ-CG 4.13Å; F2942-M2944 HydrophobicContact CE1-CB 3.92Å; F2942-M2944 HydrophobicContact CE1-SD 4.39Å; F2942-M2944 HydrophobicContact CZ-CB 4.06Å; F2942-M2944 HydrophobicContact CZ-SD 4.45Å; F2942-I2963 CarbonylContact O-C 3.58Å; F2942-I2963 WeakPolarHBondContact O-CA 3.45Å; F2942-F2964 HydrophobicContact CB-CB 4.35Å; F2942-F2964 HydrophobicContact CD1-CB 4.26Å; F2942-F2964 AromaticContact CD1-CD2 3.59Å; F2942-F2964 HydrophobicContact CD1-CD2 3.59Å; F2942-F2964 HydrophobicContact CD1-CE2 4.32Å; F2942-F2964 HydrophobicContact CD1-CG 4.23Å; F2942-F2964 HydrophobicContact CE1-CD2 4.07Å; F2942-F2964 HydrophobicContact CE1-CE2 4.37Å; F2942-F2964 PolarHBondContact N-O 3.07Å; F2942-F2964 PolarHBondContact O-N 3.3Å; F2942-L3030 HydrophobicContact CD1-CD1 4.41Å; F2942-L3030 HydrophobicContact CD2-CD1 4.12Å; F2942-L3030 HydrophobicContact CE1-CD1 3.8Å; F2942-L3030 HydrophobicContact CE2-CD1 3.41Å; F2942-L3030 VanDerWaalsContact CE2-CD1 3.41Å; F2942-L3030 HydrophobicContact CZ-CD1 3.22Å; F2942-P3031 VanDerWaalsContact CD1-CD 3.41Å; F2942-P3031 HydrophobicContact CD1-CG 3.77Å; F2942-P3031 HydrophobicContact CE1-CG 3.63Å
2943H93.9Very high83Confident44 Ų4461.6 Ų61.620%0.20432%0.317CS..EExtended strand (participates in β ladder)trans-102.4123.3178.2170.5-125.4000109.5F2851 S2852 E2961 D2962 I2963F2851-H2943 CarbonylContact C-O 3.59Å; F2851-H2943 WeakPolarHBondContact CA-O 3.29Å; S2852-H2943 PolarHBondContact N-O 3.2Å; S2852-H2943 PolarHBondContact O-N 3.24Å; S2852-H2943 WeakPolarHBondContact OG-CB 3.38Å; S2852-H2943 PolarHBondContact OG-ND1 3.41Å; H2943-E2961 IonicContact CE1-OE2 3.55Å; H2943-E2961 IonicContact NE2-OE2 2.74Å; H2943-E2961 PolarHBondContact NE2-OE2 3.09Å; H2943-D2962 PolarHBondContact CD2-O 2.92Å; H2943-I2963 HydrophobicContact CB-CG1 4.11Å
2944M94.1Very high81.4Confident0 Ų061.2 Ų61.20%031%0.31CS..EExtended strand (participates in β ladder)trans-119.5122.4178.3178.5177.4173.900108.9T2850 F2851 F2942 C2946 E2961 D2962 V3034 L3036 L3041 V3108 T3110T2850-M2944 WeakPolarHBondContact O-CA 3.35Å; F2851-M2944 HydrophobicContact CD1-CB 4.28Å; F2851-M2944 HydrophobicContact CD1-CG 3.9Å; F2851-M2944 HydrophobicContact CD1-SD 4.39Å; F2851-M2944 HydrophobicContact CE1-CB 4.48Å; F2851-M2944 HydrophobicContact CE1-CE 3.85Å; F2851-M2944 HydrophobicContact CE1-CG 3.66Å; F2851-M2944 HydrophobicContact CE1-SD 3.72Å; F2851-M2944 HydrophobicContact CZ-CE 4.25Å; F2942-M2944 HydrophobicContact CE1-CB 3.92Å; F2942-M2944 HydrophobicContact CE1-SD 4.39Å; F2942-M2944 HydrophobicContact CZ-CB 4.06Å; F2942-M2944 HydrophobicContact CZ-SD 4.45Å; M2944-C2946 VanDerWaalsContact CE-SG 3.52Å; M2944-C2946 WeakPolarHBondContact CE-SG 3.43Å; M2944-E2961 VanDerWaalsContact O-CA 3.24Å; M2944-E2961 WeakPolarHBondContact O-CA 3.37Å; M2944-D2962 PolarHBondContact N-O 3.22Å; M2944-D2962 VanDerWaalsContact N-O 3.11Å; M2944-D2962 PolarHBondContact O-N 3.19Å; M2944-D2962 VanDerWaalsContact O-N 3.12Å; M2944-V3034 HydrophobicContact CE-CB 4.29Å; M2944-V3034 HydrophobicContact CE-CG1 4.05Å; M2944-V3034 HydrophobicContact CE-CG2 4.48Å; M2944-V3034 HydrophobicContact SD-CB 4.29Å; M2944-V3034 HydrophobicContact SD-CG1 3.96Å; M2944-V3034 HydrophobicContact SD-CG2 3.94Å; M2944-L3036 HydrophobicContact CE-CD1 4.15Å; M2944-L3041 HydrophobicContact CB-CD1 4.46Å; M2944-L3041 HydrophobicContact CE-CD1 3.79Å; M2944-L3041 HydrophobicContact CG-CD1 3.85Å; M2944-L3041 HydrophobicContact SD-CD1 3.86Å; M2944-L3041 HydrophobicContact SD-CD2 4.34Å; M2944-V3108 HydrophobicContact CE-CG1 4.37Å; M2944-V3108 HydrophobicContact SD-CG1 4.46Å; M2944-T3110 HydrophobicContact CE-CG2 3.76Å
2945K93.4Very high80Confident74.5 Ų74.559.7 Ų59.732%0.32430%0.302SS..EExtended strand (participates in β ladder)trans-129.8114.9-179.5169.3-177.7-163.8140.30110C2849 T2850 V2960 E2961C2849-K2945 CarbonylContact C-O 3.59Å; C2849-K2945 WeakPolarHBondContact CA-O 3.38Å; T2850-K2945 PolarHBondContact N-O 3.31Å; T2850-K2945 PolarHBondContact O-N 3.09Å; T2850-K2945 WeakPolarHBondContact OG1-CB 3.43Å; T2850-K2945 PolarHBondContact OG1-O 3.07Å; K2945-V2960 WeakPolarHBondContact CA-O 3.19Å; K2945-E2961 HydrophobicContact CB-CB 3.77Å; K2945-E2961 WeakPolarHBondContact CD-OE2 3.19Å; K2945-E2961 WeakPolarHBondContact CE-OE2 3.35Å; K2945-E2961 HydrophobicContact CG-CB 4.06Å; K2945-E2961 WeakPolarHBondContact CG-OE2 3.33Å; K2945-E2961 IonicContact NZ-OE1 3.17Å; K2945-E2961 IonicContact NZ-OE2 3.02Å; K2945-E2961 PolarHBondContact NZ-OE2 3.16Å
2946C92.8Very high78.8Confident0.5 Ų0.551.5 Ų51.50%0.00326%0.264CS..EExtended strand (participates in β ladder)trans-112.8135.8179.7-66.30000111.2P2846 L2848 C2849 M2944 S2959 V2960 L3036P2846-C2946 HydrophobicContact CB-CB 4.1Å; L2848-C2946 CarbonylContact O-C 3.42Å; L2848-C2946 VanDerWaalsContact O-CA 3.25Å; L2848-C2946 WeakPolarHBondContact O-CA 3.46Å; C2849-C2946 HydrophobicContact CB-CB 4.21Å; C2849-C2946 WeakPolarHBondContact CB-SG 3.29Å; C2849-C2946 WeakPolarHBondContact SG-CB 3.39Å; C2849-C2946 CovalentContact SG-SG 2.05Å; C2849-C2946 PolarHBondContact SG-SG 3.1Å; M2944-C2946 VanDerWaalsContact CE-SG 3.52Å; M2944-C2946 WeakPolarHBondContact CE-SG 3.43Å; C2946-S2959 CarbonylContact O-C 3.51Å; C2946-S2959 WeakPolarHBondContact O-CA 3.4Å; C2946-V2960 PolarHBondContact N-O 3.06Å; C2946-V2960 PolarHBondContact O-N 3Å; C2946-L3036 HydrophobicContact CB-CD2 3.81Å
2947R90.3Very high77.9Confident112.5 Ų112.556.4 Ų56.443%0.42529%0.285SS..EExtended strand (participates in β ladder)trans-108.2136.8174-175.4-168.1166.398.2-1.5109.6P2846 V2847 L2848 T2958P2846-R2947 CarbonylContact C-O 3.57Å; P2846-R2947 WeakPolarHBondContact CA-O 3.5Å; V2847-R2947 PolarHBondContact N-O 2.8Å; L2848-R2947 HydrophobicContact CD1-CB 3.88Å; L2848-R2947 HydrophobicContact CD2-CB 3.84Å; L2848-R2947 HydrophobicContact CD2-CG 4.4Å; L2848-R2947 HydrophobicContact CG-CB 3.8Å; L2848-R2947 PolarHBondContact N-O 3.13Å; L2848-R2947 PolarHBondContact O-N 3.04Å; R2947-T2958 CarbonylContact C-O 3.57Å; R2947-T2958 WeakPolarHBondContact CA-O 3.35Å; R2947-T2958 VanDerWaalsContact CG-O 3.3Å; R2947-T2958 WeakPolarHBondContact CG-O 3.39Å
2948R87.1Confident77.3Confident5 Ų553.6 Ų53.62%0.01927%0.272CS..EExtended strand (participates in β ladder)trans-102.6170.4177.8-55.8-169.3-174.4109.9-6.7111.7N2844 T2958 V2960 L3036 K3037 K3038N2844-R2948 VanDerWaalsContact ND2-CD 3.25Å; N2844-R2948 WeakPolarHBondContact ND2-CD 3.45Å; N2844-R2948 WeakPolarHBondContact O-CD 3.43Å; N2844-R2948 PolarHBondContact O-NE 3.22Å; N2844-R2948 WeakPolarHBondContact OD1-CB 3.45Å; N2844-R2948 WeakPolarHBondContact OD1-CD 3.42Å; R2948-T2958 PolarHBondContact N-O 2.95Å; R2948-V2960 VanDerWaalsContact NH1-CG2 3.32Å; R2948-L3036 VanDerWaalsContact NH2-CB 3.35Å; R2948-L3036 PolarHBondContact NH2-O 3.5Å; R2948-K3037 PolarHBondContact NH1-O 3.27Å; R2948-K3037 PolarHBondContact NH2-O 3.11Å; R2948-K3038 PolarHBondContact NH1-O 3.13Å; R2948-K3038 VanDerWaalsContact NH1-O 3.15Å
2949S81.3Confident77Confident67 Ų6755.2 Ų55.247%0.46928%0.284SS..  trans-69.8135.5173.9-171.70000110.9K2951 Q2954S2949-K2951 PolarHBondContact O-N 3.39Å; S2949-Q2954 PolarHBondContact O-NE2 2.78Å
2950T67.9Low76.9Confident82.5 Ų82.552.9 Ų52.951%0.50627%0.272SS..  trans-87.6103.4-179.654.60000110.4T2958T2950-T2958 HydrophobicContact CG2-CG2 3.59Å; T2950-T2958 VanDerWaalsContact CG2-CG2 3.45Å
2951K62.9Low76.9Confident85 Ų8557.2 Ų57.237%0.3729%0.292SS..  trans-90.7141164.1-65-175.4179.3176.30109.5D2842 S2949 I2953 Q2954 D3117D2842-K2951 IonicContact OD2-NZ 3.65Å; D2842-K2951 PolarHBondContact OD2-NZ 2.97Å; S2949-K2951 PolarHBondContact O-N 3.39Å; K2951-I2953 PolarHBondContact O-N 3.05Å; K2951-Q2954 HydrophobicContact CB-CG 4.27Å; K2951-Q2954 PolarHBondContact O-N 2.99Å; K2951-D3117 WeakPolarHBondContact CD-OD2 3.3Å; K2951-D3117 IonicContact NZ-OD2 2.82Å
2952E57.9Low76.8Confident191 Ų19158.1 Ų58.189%0.89330%0.298SS*.THydrogen-bonded Turntrans-56-17.9-168.6-66.8-172.814700115.7
2953I52.1Low76.8Confident50.5 Ų50.562.4 Ų62.426%0.25932%0.32SS..THydrogen-bonded Turntrans-104.5-6.9-172.3-49.5159.6000111.5K2951 S2955 D3117 K3122K2951-I2953 PolarHBondContact O-N 3.05Å; I2953-S2955 PolarHBondContact O-N 3.05Å; I2953-S2955 VanDerWaalsContact O-N 3.13Å; I2953-D3117 HydrophobicContact CB-CB 4.36Å; I2953-D3117 HydrophobicContact CD1-CB 4.21Å; I2953-D3117 VanDerWaalsContact CD1-O 3.27Å; I2953-D3117 WeakPolarHBondContact CD1-O 3.44Å; I2953-D3117 WeakPolarHBondContact CG2-O 3.38Å; I2953-K3122 HydrophobicContact CG2-CD 4.41Å; I2953-K3122 VanDerWaalsContact CG2-CE 3.48Å; I2953-K3122 WeakPolarHBondContact O-CE 3.4Å; I2953-K3122 PolarHBondContact O-NZ 3.36Å
2954Q53.2Low76.6Confident36.5 Ų36.561.4 Ų61.417%0.17132%0.315CS..  trans-71.3113.7-179.3-78.9-174.833.900111.4N2844 S2949 K2951 S2956 V3115 D3117N2844-Q2954 PolarHBondContact ND2-OE1 3.24Å; N2844-Q2954 PolarHBondContact OD1-NE2 3.07Å; S2949-Q2954 PolarHBondContact O-NE2 2.78Å; K2951-Q2954 HydrophobicContact CB-CG 4.27Å; K2951-Q2954 PolarHBondContact O-N 2.99Å; Q2954-S2956 WeakPolarHBondContact CB-OG 3.44Å; Q2954-S2956 PolarHBondContact O-N 3.01Å; Q2954-S2956 PolarHBondContact OE1-OG 3.37Å; Q2954-V3115 HydrophobicContact CG-CG1 4.2Å; Q2954-D3117 PolarHBondContact NE2-OD1 2.88Å
2955S51Low76.4Confident73.5 Ų73.564.9 Ų64.951%0.51434%0.34SS..  trans-84.911166.3620000112.5I2953I2953-S2955 PolarHBondContact O-N 3.05Å; I2953-S2955 VanDerWaalsContact O-N 3.13Å
2956S54.8Low76.2Confident10 Ų1064.3 Ų64.37%0.0734%0.335CS..SBendtrans-89.4149.6178.338.10000111.2Q2954 T2958Q2954-S2956 WeakPolarHBondContact CB-OG 3.44Å; Q2954-S2956 PolarHBondContact O-N 3.01Å; Q2954-S2956 PolarHBondContact OE1-OG 3.37Å; S2956-T2958 PolarHBondContact O-N 3.05Å; S2956-T2958 VanDerWaalsContact O-N 3.12Å
2957H61.2Low76.1Confident124.5 Ų124.569.8 Ų69.858%0.57636%0.36SS*.  trans-56.8124.6172.7-70.9-98.7000110S2959 V2960H2957-S2959 VanDerWaalsContact C-N 3.34Å; H2957-S2959 WeakPolarHBondContact CB-O 3.29Å; H2957-S2959 PolarHBondContact O-N 3.39Å; H2957-V2960 HydrophobicContact CB-CG2 4.35Å
2958T72.9Confident75.9Confident59 Ų5965 Ų6536%0.36234%0.342SS..SBendtrans-71.1-23.2-176.559.60000112.2R2947 R2948 T2950 S2956R2947-T2958 CarbonylContact C-O 3.57Å; R2947-T2958 WeakPolarHBondContact CA-O 3.35Å; R2947-T2958 VanDerWaalsContact CG-O 3.3Å; R2947-T2958 WeakPolarHBondContact CG-O 3.39Å; R2948-T2958 PolarHBondContact N-O 2.95Å; T2950-T2958 HydrophobicContact CG2-CG2 3.59Å; T2950-T2958 VanDerWaalsContact CG2-CG2 3.45Å; S2956-T2958 PolarHBondContact O-N 3.05Å; S2956-T2958 VanDerWaalsContact O-N 3.12Å
2959S82.7Confident76Confident43 Ų4366.5 Ų66.530%0.30135%0.353SS..EExtended strand (participates in β ladder)trans-122138167.9590000110.4C2946 H2957C2946-S2959 CarbonylContact O-C 3.51Å; C2946-S2959 WeakPolarHBondContact O-CA 3.4Å; H2957-S2959 VanDerWaalsContact C-N 3.34Å; H2957-S2959 WeakPolarHBondContact CB-O 3.29Å; H2957-S2959 PolarHBondContact O-N 3.39Å
2960V87.6Confident76.2Confident3.5 Ų3.568 Ų682%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-126.8133.8-179.1-170.70000108.5K2945 C2946 R2948 H2957 L3041K2945-V2960 WeakPolarHBondContact CA-O 3.19Å; C2946-V2960 PolarHBondContact N-O 3.06Å; C2946-V2960 PolarHBondContact O-N 3Å; R2948-V2960 VanDerWaalsContact NH1-CG2 3.32Å; H2957-V2960 HydrophobicContact CB-CG2 4.35Å; V2960-L3041 HydrophobicContact CG1-CB 3.71Å
2961E91Very high77Confident96 Ų9667.5 Ų67.545%0.44936%0.362SS..EExtended strand (participates in β ladder)trans-140.8156.1-174.763.5-163.7-177.900112.7H2943 M2944 K2945H2943-E2961 IonicContact CE1-OE2 3.55Å; H2943-E2961 IonicContact NE2-OE2 2.74Å; H2943-E2961 PolarHBondContact NE2-OE2 3.09Å; M2944-E2961 VanDerWaalsContact O-CA 3.24Å; M2944-E2961 WeakPolarHBondContact O-CA 3.37Å; K2945-E2961 HydrophobicContact CB-CB 3.77Å; K2945-E2961 WeakPolarHBondContact CD-OE2 3.19Å; K2945-E2961 WeakPolarHBondContact CE-OE2 3.35Å; K2945-E2961 HydrophobicContact CG-CB 4.06Å; K2945-E2961 WeakPolarHBondContact CG-OE2 3.33Å; K2945-E2961 IonicContact NZ-OE1 3.17Å; K2945-E2961 IonicContact NZ-OE2 3.02Å; K2945-E2961 PolarHBondContact NZ-OE2 3.16Å
2962D92.1Very high78.2Confident59.5 Ų59.563.8 Ų63.832%0.31835%0.346SS..EExtended strand (participates in β ladder)trans-150.8159.6170.1-159.74.5000110.1H2943 M2944 F2964 L3041H2943-D2962 PolarHBondContact CD2-O 2.92Å; M2944-D2962 PolarHBondContact N-O 3.22Å; M2944-D2962 VanDerWaalsContact N-O 3.11Å; M2944-D2962 PolarHBondContact O-N 3.19Å; M2944-D2962 VanDerWaalsContact O-N 3.12Å; D2962-F2964 HydrophobicContact CB-CE2 4.34Å; D2962-L3041 HydrophobicContact CB-CB 4.01Å; D2962-L3041 HydrophobicContact CB-CD2 3.37Å; D2962-L3041 HydrophobicContact CB-CG 4.29Å
2963I91.8Very high79.6Confident91.5 Ų91.555.3 Ų55.347%0.46931%0.306SS..EExtended strand (participates in β ladder)trans-124.8107.1179.8-55.2174.5000109.6H2941 F2942 H2943H2941-I2963 HydrophobicContact CB-CG2 3.88Å; F2942-I2963 CarbonylContact O-C 3.58Å; F2942-I2963 WeakPolarHBondContact O-CA 3.45Å; H2943-I2963 HydrophobicContact CB-CG1 4.11Å
2964F91Very high81.2Confident24.5 Ų24.557.7 Ų57.711%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-82126.7173.8-57.3-93.5000109H2941 F2942 D2962 P3031 L3041H2941-F2964 WeakPolarHBondContact CA-O 2.98Å; F2942-F2964 HydrophobicContact CB-CB 4.35Å; F2942-F2964 HydrophobicContact CD1-CB 4.26Å; F2942-F2964 AromaticContact CD1-CD2 3.59Å; F2942-F2964 HydrophobicContact CD1-CD2 3.59Å; F2942-F2964 HydrophobicContact CD1-CE2 4.32Å; F2942-F2964 HydrophobicContact CD1-CG 4.23Å; F2942-F2964 HydrophobicContact CE1-CD2 4.07Å; F2942-F2964 HydrophobicContact CE1-CE2 4.37Å; F2942-F2964 PolarHBondContact N-O 3.07Å; F2942-F2964 PolarHBondContact O-N 3.3Å; D2962-F2964 HydrophobicContact CB-CE2 4.34Å; F2964-P3031 HydrophobicContact CD1-CB 4.48Å; F2964-P3031 HydrophobicContact CD1-CG 4.12Å; F2964-P3031 HydrophobicContact CD2-CG 3.8Å; F2964-P3031 HydrophobicContact CE1-CB 4.34Å; F2964-P3031 HydrophobicContact CE1-CG 4.14Å; F2964-P3031 HydrophobicContact CE2-CG 3.81Å; F2964-P3031 HydrophobicContact CG-CG 3.94Å; F2964-P3031 HydrophobicContact CZ-CB 4.47Å; F2964-P3031 HydrophobicContact CZ-CG 3.99Å; F2964-L3041 HydrophobicContact CE2-CD2 3.79Å; F2964-L3041 HydrophobicContact CZ-CD2 3.9Å
2965S89.7Confident82.7Confident73.5 Ų73.559.1 Ų59.151%0.51433%0.325SS..EExtended strand (participates in β ladder)trans-127.7137.6-174.54.60000112.6L2940 H2941L2940-S2965 CarbonylContact O-C 3.53Å; L2940-S2965 VanDerWaalsContact O-CA 3.28Å; L2940-S2965 WeakPolarHBondContact O-CA 3.33Å; H2941-S2965 PolarHBondContact CE1-OG 2.96Å; H2941-S2965 WeakPolarHBondContact ND1-CB 3.25Å; H2941-S2965 PolarHBondContact ND1-OG 3.46Å
2966R89.1Confident84.5Confident61 Ų6155.6 Ų55.623%0.2330%0.301CS..EExtended strand (participates in β ladder)trans-137.7140179.1-173-178.467.186.5-9.2110.8L2939 L2940 E2972 N3027L2939-R2966 CarbonylContact C-O 3.56Å; L2939-R2966 WeakPolarHBondContact CA-O 3.35Å; L2940-R2966 PolarHBondContact N-O 3.37Å; L2940-R2966 PolarHBondContact O-N 3.34Å; R2966-E2972 IonicContact CZ-OE1 2.7Å; R2966-E2972 IonicContact CZ-OE2 3.4Å; R2966-E2972 VanDerWaalsContact CZ-OE2 3.31Å; R2966-E2972 IonicContact NH1-OE1 2.92Å; R2966-E2972 PolarHBondContact NH1-OE1 3.27Å; R2966-E2972 IonicContact NH1-OE2 3.21Å; R2966-E2972 PolarHBondContact NH1-OE2 3.44Å; R2966-E2972 IonicContact NH2-OE1 3.61Å; R2966-E2972 PolarHBondContact NH2-OE1 3.38Å; R2966-E2972 IonicContact NH2-OE2 2.86Å; R2966-E2972 PolarHBondContact NH2-OE2 3.29Å; R2966-N3027 PolarHBondContact NE-O 2.98Å; R2966-N3027 PolarHBondContact NH2-O 3.24Å
2967K89.6Confident85.9Confident117 Ų11756.9 Ų56.951%0.50931%0.306SS..EExtended strand (participates in β ladder)trans-69.6133.2170.5-69.2-171.2173.9-155.20110.6D2937 L2939D2937-K2967 VanDerWaalsContact OD1-CE 3.25Å; D2937-K2967 WeakPolarHBondContact OD1-CE 3.35Å; D2937-K2967 IonicContact OD1-NZ 2.64Å; D2937-K2967 PolarHBondContact OD1-NZ 3.21Å; D2937-K2967 WeakPolarHBondContact OD2-CE 3.23Å; D2937-K2967 IonicContact OD2-NZ 3.3Å; D2937-K2967 PolarHBondContact OD2-NZ 3.1Å; L2939-K2967 HydrophobicContact CD2-CB 4.38Å; L2939-K2967 HydrophobicContact CD2-CG 3.58Å
2968L88Confident86.9Confident10 Ų1055.7 Ų55.75%0.05230%0.302CS..PPolyproline II helixtrans-70133172.1-81.876.8000110F2855 L2931 L2938 L2940 K2973 L2976F2855-L2968 HydrophobicContact CD1-CD1 4.18Å; F2855-L2968 HydrophobicContact CD1-CD2 4.06Å; F2855-L2968 HydrophobicContact CE1-CD1 4.49Å; F2855-L2968 HydrophobicContact CE1-CD2 4.06Å; L2931-L2968 HydrophobicContact CD2-CD2 4.39Å; L2938-L2968 HydrophobicContact CD2-CD2 4.33Å; L2938-L2968 HydrophobicContact CG-CD1 4.43Å; L2938-L2968 WeakPolarHBondContact O-CD1 3.32Å; L2938-L2968 PolarHBondContact O-N 3.25Å; L2938-L2968 VanDerWaalsContact O-N 3.12Å; L2940-L2968 HydrophobicContact CB-CD1 3.71Å; L2940-L2968 VanDerWaalsContact N-CD1 3.3Å; L2968-K2973 HydrophobicContact CB-CG 3.96Å; L2968-K2973 HydrophobicContact CD2-CG 4.45Å; L2968-L2976 HydrophobicContact CD2-CD2 4.1Å
2969S87.3Confident87.5Confident37 Ų3753 Ų5326%0.25929%0.286SS..PPolyproline II helixtrans-69.9154.3172.670.10000111.1S2971 E2972 K2973S2969-S2971 PolarHBondContact O-N 2.84Å; S2969-S2971 PolarHBondContact OG-OG 2.9Å; S2969-S2971 VanDerWaalsContact OG-OG 3.07Å; S2969-E2972 WeakPolarHBondContact CB-OE2 3.49Å; S2969-E2972 PolarHBondContact N-OE2 3.18Å; S2969-E2972 PolarHBondContact O-N 3.18Å; S2969-E2972 VanDerWaalsContact O-N 3.08Å; S2969-E2972 WeakPolarHBondContact OG-CB 3.22Å; S2969-E2972 VanDerWaalsContact OG-CD 3.3Å; S2969-E2972 WeakPolarHBondContact OG-CG 3.26Å; S2969-E2972 PolarHBondContact OG-N 3.28Å; S2969-E2972 PolarHBondContact OG-OE2 2.91Å; S2969-K2973 WeakPolarHBondContact O-CG 3.39Å; S2969-K2973 PolarHBondContact O-N 3.11Å
2970P85.4Confident87.5Confident99.5 Ų99.551.1 Ų51.165%0.64627%0.272SS*.Hα-helixtrans-58.3-32.4178.9-1.40.3000113.3L2974P2970-L2974 PolarHBondContact O-N 3.09Å; P2970-L2974 VanDerWaalsContact O-N 3.14Å
2971S86.7Confident86.9Confident72 Ų7255.7 Ų55.750%0.50330%0.297SS..Hα-helixtrans-67.4-42.1173.847.10000112.6S2969 L2974 Q2975S2969-S2971 PolarHBondContact O-N 2.84Å; S2969-S2971 PolarHBondContact OG-OG 2.9Å; S2969-S2971 VanDerWaalsContact OG-OG 3.07Å; S2971-L2974 PolarHBondContact O-N 3.12Å; S2971-Q2975 WeakPolarHBondContact O-CG 3.48Å; S2971-Q2975 PolarHBondContact O-N 3.04Å
2972E88.2Confident85.8Confident7 Ų753.9 Ų53.93%0.03329%0.294CS..Hα-helixtrans-66.9-38.9176.2-71.8167.6147.500111.3R2966 S2969 L2974 Q2975 L2976 L3026 N3027R2966-E2972 IonicContact CZ-OE1 2.7Å; R2966-E2972 IonicContact CZ-OE2 3.4Å; R2966-E2972 VanDerWaalsContact CZ-OE2 3.31Å; R2966-E2972 IonicContact NH1-OE1 2.92Å; R2966-E2972 PolarHBondContact NH1-OE1 3.27Å; R2966-E2972 IonicContact NH1-OE2 3.21Å; R2966-E2972 PolarHBondContact NH1-OE2 3.44Å; R2966-E2972 IonicContact NH2-OE1 3.61Å; R2966-E2972 PolarHBondContact NH2-OE1 3.38Å; R2966-E2972 IonicContact NH2-OE2 2.86Å; R2966-E2972 PolarHBondContact NH2-OE2 3.29Å; S2969-E2972 WeakPolarHBondContact CB-OE2 3.49Å; S2969-E2972 PolarHBondContact N-OE2 3.18Å; S2969-E2972 PolarHBondContact O-N 3.18Å; S2969-E2972 VanDerWaalsContact O-N 3.08Å; S2969-E2972 WeakPolarHBondContact OG-CB 3.22Å; S2969-E2972 VanDerWaalsContact OG-CD 3.3Å; S2969-E2972 WeakPolarHBondContact OG-CG 3.26Å; S2969-E2972 PolarHBondContact OG-N 3.28Å; S2969-E2972 PolarHBondContact OG-OE2 2.91Å; E2972-L2974 VanDerWaalsContact C-N 3.34Å; E2972-L2974 PolarHBondContact O-N 2.92Å; E2972-Q2975 PolarHBondContact O-N 3.07Å; E2972-L2976 VanDerWaalsContact O-CB 3.3Å; E2972-L2976 WeakPolarHBondContact O-CB 3.22Å; E2972-L2976 PolarHBondContact O-N 3.13Å; E2972-L3026 HydrophobicContact CB-CD2 3.72Å; E2972-L3026 HydrophobicContact CG-CD2 3.75Å; E2972-N3027 PolarHBondContact OE1-N 3.31Å
2973K87.2Confident84.6Confident12 Ų1251.5 Ų51.55%0.05228%0.282CS..Hα-helixtrans-59.3-44.8173.1-67.8-177.5-174.4-174.50111.6L2931 S2933 P2934 S2936 L2968 S2969 L2976 L2977L2931-K2973 HydrophobicContact CD2-CB 4.29Å; L2931-K2973 HydrophobicContact CD2-CG 4.29Å; S2933-K2973 PolarHBondContact O-NZ 2.77Å; P2934-K2973 PolarHBondContact O-NZ 3.16Å; S2936-K2973 PolarHBondContact O-NZ 3.03Å; S2936-K2973 PolarHBondContact OG-NZ 3.12Å; S2936-K2973 VanDerWaalsContact OG-NZ 3.15Å; L2968-K2973 HydrophobicContact CB-CG 3.96Å; L2968-K2973 HydrophobicContact CD2-CG 4.45Å; S2969-K2973 WeakPolarHBondContact O-CG 3.39Å; S2969-K2973 PolarHBondContact O-N 3.11Å; K2973-L2976 PolarHBondContact O-N 3.13Å; K2973-L2977 VanDerWaalsContact O-CB 3.28Å; K2973-L2977 WeakPolarHBondContact O-CB 3.35Å; K2973-L2977 PolarHBondContact O-N 3.13Å
2974L85.4Confident82.8Confident101 Ų10150.1 Ų50.153%0.52928%0.275SS..Hα-helixtrans-65.8-43.2179.5-169.375.8000111.6P2970 S2971 E2972 L2977 M2978P2970-L2974 PolarHBondContact O-N 3.09Å; P2970-L2974 VanDerWaalsContact O-N 3.14Å; S2971-L2974 PolarHBondContact O-N 3.12Å; E2972-L2974 VanDerWaalsContact C-N 3.34Å; E2972-L2974 PolarHBondContact O-N 2.92Å; L2974-L2977 WeakPolarHBondContact O-CB 3.26Å; L2974-L2977 PolarHBondContact O-N 3.33Å; L2974-M2978 HydrophobicContact CD2-CE 3.77Å; L2974-M2978 HydrophobicContact CG-CE 4.01Å; L2974-M2978 WeakPolarHBondContact O-CG 3.34Å; L2974-M2978 PolarHBondContact O-N 3.31Å
2975Q85.1Confident80.9Confident67 Ų6758.4 Ų58.431%0.31331%0.312SS..Hα-helixtrans-62.2-47.2175.3-72.7177.3500111.5S2971 E2972 L2977 M2978 V2979 V3024S2971-Q2975 WeakPolarHBondContact O-CG 3.48Å; S2971-Q2975 PolarHBondContact O-N 3.04Å; E2972-Q2975 PolarHBondContact O-N 3.07Å; Q2975-L2977 VanDerWaalsContact C-N 3.3Å; Q2975-L2977 PolarHBondContact O-N 3.2Å; Q2975-M2978 HydrophobicContact CG-CE 4.29Å; Q2975-M2978 WeakPolarHBondContact O-CB 3.36Å; Q2975-M2978 PolarHBondContact O-N 2.83Å; Q2975-M2978 VanDerWaalsContact O-N 3.15Å; Q2975-V2979 WeakPolarHBondContact O-CG2 3.26Å; Q2975-V2979 PolarHBondContact O-N 3.2Å; Q2975-V3024 HydrophobicContact CB-CB 4.25Å; Q2975-V3024 HydrophobicContact CB-CG2 3.67Å
2976L86.9Confident78.9Confident0 Ų056.7 Ų56.70%030%0.298CS..Hα-helixtrans-62.9-35.5177.4-171.162.9000111.8F2855 L2931 L2968 E2972 K2973 V2979 L2980 V3024 W3072F2855-L2976 HydrophobicContact CD1-CD2 4Å; F2855-L2976 HydrophobicContact CD2-CD2 4.2Å; F2855-L2976 HydrophobicContact CE1-CD2 3.65Å; F2855-L2976 HydrophobicContact CE2-CD1 4.23Å; F2855-L2976 HydrophobicContact CE2-CD2 3.88Å; F2855-L2976 HydrophobicContact CG-CD2 4.27Å; F2855-L2976 HydrophobicContact CZ-CD1 4.09Å; F2855-L2976 HydrophobicContact CZ-CD2 3.6Å; F2855-L2976 VanDerWaalsContact CZ-CD2 3.48Å; L2931-L2976 HydrophobicContact CD1-CB 4.37Å; L2931-L2976 HydrophobicContact CD1-CD2 3.91Å; L2931-L2976 HydrophobicContact CD1-CG 3.92Å; L2931-L2976 HydrophobicContact CD2-CB 4.44Å; L2931-L2976 HydrophobicContact CD2-CD2 3.8Å; L2931-L2976 HydrophobicContact CD2-CG 4.39Å; L2931-L2976 HydrophobicContact CG-CD2 4.46Å; L2968-L2976 HydrophobicContact CD2-CD2 4.1Å; E2972-L2976 VanDerWaalsContact O-CB 3.3Å; E2972-L2976 WeakPolarHBondContact O-CB 3.22Å; E2972-L2976 PolarHBondContact O-N 3.13Å; K2973-L2976 PolarHBondContact O-N 3.13Å; L2976-V2979 PolarHBondContact O-N 3.15Å; L2976-L2980 HydrophobicContact CD1-CD1 4.42Å; L2976-L2980 HydrophobicContact CD1-CG 4.44Å; L2976-L2980 HydrophobicContact CG-CD1 4.09Å; L2976-L2980 VanDerWaalsContact O-CB 3.31Å; L2976-L2980 WeakPolarHBondContact O-CB 3.35Å; L2976-L2980 VanDerWaalsContact O-CG 3.28Å; L2976-L2980 WeakPolarHBondContact O-CG 3.39Å; L2976-L2980 PolarHBondContact O-N 3.4Å; L2976-V3024 HydrophobicContact CB-CG2 4.29Å; L2976-V3024 HydrophobicContact CD1-CG1 3.81Å; L2976-W3072 HydrophobicContact CD1-CH2 3.92Å; L2976-W3072 HydrophobicContact CD1-CZ3 4.45Å
2977L84.8Confident76.7Confident36.5 Ų36.560.4 Ų60.419%0.19132%0.316CS..Hα-helixtrans-64.2-41.3172.7-17471000112L2928 L2931 R2932 K2973 L2974 Q2975 L2980 N2981L2928-L2977 HydrophobicContact CD1-CD1 3.42Å; L2928-L2977 VanDerWaalsContact CD1-CD1 3.42Å; L2928-L2977 HydrophobicContact CD2-CD1 3.81Å; L2928-L2977 HydrophobicContact CG-CD1 3.89Å; L2931-L2977 HydrophobicContact CB-CB 4.33Å; L2931-L2977 HydrophobicContact CB-CD1 4.16Å; R2932-L2977 HydrophobicContact CB-CD1 4.46Å; R2932-L2977 HydrophobicContact CB-CD2 4.13Å; R2932-L2977 HydrophobicContact CG-CD2 4.33Å; K2973-L2977 VanDerWaalsContact O-CB 3.28Å; K2973-L2977 WeakPolarHBondContact O-CB 3.35Å; K2973-L2977 PolarHBondContact O-N 3.13Å; L2974-L2977 WeakPolarHBondContact O-CB 3.26Å; L2974-L2977 PolarHBondContact O-N 3.33Å; Q2975-L2977 VanDerWaalsContact C-N 3.3Å; Q2975-L2977 PolarHBondContact O-N 3.2Å; L2977-L2980 PolarHBondContact O-N 3.42Å; L2977-N2981 WeakPolarHBondContact O-CB 3.26Å; L2977-N2981 PolarHBondContact O-N 3.01Å
2978M83.5Confident74.4Confident100 Ų10060.6 Ų60.649%0.49333%0.33SS..Hα-helixtrans-65.2-45.2176.5-70.3-175.5-93.800111.6L2974 Q2975 L2980 N2981 S2982L2974-M2978 HydrophobicContact CD2-CE 3.77Å; L2974-M2978 HydrophobicContact CG-CE 4.01Å; L2974-M2978 WeakPolarHBondContact O-CG 3.34Å; L2974-M2978 PolarHBondContact O-N 3.31Å; Q2975-M2978 HydrophobicContact CG-CE 4.29Å; Q2975-M2978 WeakPolarHBondContact O-CB 3.36Å; Q2975-M2978 PolarHBondContact O-N 2.83Å; Q2975-M2978 VanDerWaalsContact O-N 3.15Å; M2978-L2980 VanDerWaalsContact C-N 3.34Å; M2978-L2980 PolarHBondContact O-N 3.2Å; M2978-N2981 PolarHBondContact O-N 3.1Å; M2978-N2981 VanDerWaalsContact O-N 3.15Å; M2978-S2982 PolarHBondContact O-N 3.23Å; M2978-S2982 VanDerWaalsContact O-N 3.13Å
2979V84Confident72.2Confident2.5 Ų2.567.4 Ų67.42%0.01537%0.365CS..Hα-helixtrans-63.7-42.7178.5175.80000111.6Q2975 L2976 N2981 S2982 D3022 V3024 I3061 W3072Q2975-V2979 WeakPolarHBondContact O-CG2 3.26Å; Q2975-V2979 PolarHBondContact O-N 3.2Å; L2976-V2979 PolarHBondContact O-N 3.15Å; V2979-N2981 PolarHBondContact O-N 3.02Å; V2979-S2982 WeakPolarHBondContact O-CB 3.32Å; V2979-S2982 PolarHBondContact O-N 3.27Å; V2979-S2982 PolarHBondContact O-OG 3.25Å; V2979-D3022 HydrophobicContact CG2-CB 4.05Å; V2979-D3022 VanDerWaalsContact CG2-O 3.3Å; V2979-D3022 WeakPolarHBondContact CG2-O 3.47Å; V2979-V3024 HydrophobicContact CG2-CB 4.04Å; V2979-V3024 HydrophobicContact CG2-CG1 4.38Å; V2979-I3061 HydrophobicContact CG1-CB 4.27Å; V2979-I3061 HydrophobicContact CG1-CG2 3.54Å; V2979-W3072 HydrophobicContact CG1-CH2 4.39Å; V2979-W3072 HydrophobicContact CG1-CZ3 4.3Å
2980L83.7Confident69.8Low1.5 Ų1.570.9 Ų70.91%0.00839%0.389CS..Hα-helixtrans-72.9-20174.4-69.7173.7000113.8W2917 Y2924 L2927 L2928 L2931 L2976 L2977 M2978 T2983 N2984 I3061 W3072W2917-L2980 HydrophobicContact CH2-CD2 3.81Å; W2917-L2980 HydrophobicContact CZ3-CD2 3.87Å; Y2924-L2980 HydrophobicContact CE2-CD2 4.02Å; Y2924-L2980 PolarHBondContact OH-O 2.89Å; L2927-L2980 HydrophobicContact CD2-CD1 4.11Å; L2927-L2980 HydrophobicContact CG-CD1 4.33Å; L2928-L2980 HydrophobicContact CD1-CB 4.39Å; L2928-L2980 HydrophobicContact CD2-CB 3.79Å; L2928-L2980 HydrophobicContact CD2-CD1 4.42Å; L2931-L2980 HydrophobicContact CD1-CD1 3.53Å; L2976-L2980 HydrophobicContact CD1-CD1 4.42Å; L2976-L2980 HydrophobicContact CD1-CG 4.44Å; L2976-L2980 HydrophobicContact CG-CD1 4.09Å; L2976-L2980 VanDerWaalsContact O-CB 3.31Å; L2976-L2980 WeakPolarHBondContact O-CB 3.35Å; L2976-L2980 VanDerWaalsContact O-CG 3.28Å; L2976-L2980 WeakPolarHBondContact O-CG 3.39Å; L2976-L2980 PolarHBondContact O-N 3.4Å; L2977-L2980 PolarHBondContact O-N 3.42Å; M2978-L2980 VanDerWaalsContact C-N 3.34Å; M2978-L2980 PolarHBondContact O-N 3.2Å; L2980-T2983 PolarHBondContact O-OG1 2.9Å; L2980-T2983 VanDerWaalsContact O-OG1 3.07Å; L2980-N2984 PolarHBondContact O-OD1 3.16Å; L2980-I3061 HydrophobicContact CD2-CD1 4.16Å; L2980-W3072 HydrophobicContact CD2-CH2 3.98Å; L2980-W3072 HydrophobicContact CD2-CZ2 3.79Å
2981N75.1Confident67.8Low100.5 Ų100.573.3 Ų73.354%0.53740%0.397SS..Hα-helixtrans-83.3-25.2176.3-163.839.6000112L2977 M2978 V2979 T2983 N2984L2977-N2981 WeakPolarHBondContact O-CB 3.26Å; L2977-N2981 PolarHBondContact O-N 3.01Å; M2978-N2981 PolarHBondContact O-N 3.1Å; M2978-N2981 VanDerWaalsContact O-N 3.15Å; V2979-N2981 PolarHBondContact O-N 3.02Å; N2981-T2983 VanDerWaalsContact C-N 3.28Å; N2981-T2983 PolarHBondContact O-N 3.13Å; N2981-N2984 WeakPolarHBondContact O-CB 3.28Å; N2981-N2984 PolarHBondContact O-N 3.01Å; N2981-N2984 PolarHBondContact OD1-ND2 3.18Å
2982S67.9Low65.7Low57.5 Ų57.574.3 Ų74.340%0.40240%0.404SS..THydrogen-bonded Turntrans-65.3-27174.771.40000112.8M2978 V2979 N2984M2978-S2982 PolarHBondContact O-N 3.23Å; M2978-S2982 VanDerWaalsContact O-N 3.13Å; V2979-S2982 WeakPolarHBondContact O-CB 3.32Å; V2979-S2982 PolarHBondContact O-N 3.27Å; V2979-S2982 PolarHBondContact O-OG 3.25Å; S2982-N2984 VanDerWaalsContact C-N 3.35Å; S2982-N2984 PolarHBondContact O-N 2.96Å
2983T66.1Low63.5Low11 Ų1180.9 Ų80.97%0.06744%0.439CS..THydrogen-bonded Turntrans-85.5-0.3177.652.50000114.6Y2924 L2980 N2981 F2985 T2986 I3061Y2924-T2983 PolarHBondContact OH-OG1 3Å; Y2924-T2983 VanDerWaalsContact OH-OG1 3.11Å; L2980-T2983 PolarHBondContact O-OG1 2.9Å; L2980-T2983 VanDerWaalsContact O-OG1 3.07Å; N2981-T2983 VanDerWaalsContact C-N 3.28Å; N2981-T2983 PolarHBondContact O-N 3.13Å; T2983-F2985 PolarHBondContact O-N 2.97Å; T2983-T2986 PolarHBondContact O-OG1 2.96Å; T2983-I3061 HydrophobicContact CG2-CD1 3.96Å; T2983-I3061 HydrophobicContact CG2-CG1 4.25Å; T2983-I3061 HydrophobicContact CG2-CG2 3.66Å
2984N54.1Low61.3Low60.5 Ų60.591.9 Ų91.932%0.32448%0.48SS..THydrogen-bonded Turntrans-76.518.1-173.8-80.4-20.6000115.8Y2924 L2980 N2981 S2982 T2986Y2924-N2984 WeakPolarHBondContact CE1-OD1 3.35Å; Y2924-N2984 PolarHBondContact OH-OD1 3.26Å; Y2924-N2984 VanDerWaalsContact OH-OD1 3.13Å; L2980-N2984 PolarHBondContact O-OD1 3.16Å; N2981-N2984 WeakPolarHBondContact O-CB 3.28Å; N2981-N2984 PolarHBondContact O-N 3.01Å; N2981-N2984 PolarHBondContact OD1-ND2 3.18Å; S2982-N2984 VanDerWaalsContact C-N 3.35Å; S2982-N2984 PolarHBondContact O-N 2.96Å; N2984-T2986 PolarHBondContact O-N 3.21Å
2985F51.7Low58.8Low200 Ų20094.5 Ų94.588%0.87750%0.495SS*.THydrogen-bonded Turntrans-76.12.8176.3-86.9-76.6000114.6T2983T2983-F2985 PolarHBondContact O-N 2.97Å
2986T46.5Very low56.8Low37 Ų3796.3 Ų96.323%0.22752%0.515CS..  trans-12275.2-16941.40000113.5T2983 N2984 Q3063 H3068T2983-T2986 PolarHBondContact O-OG1 2.96Å; N2984-T2986 PolarHBondContact O-N 3.21Å; T2986-Q3063 PolarHBondContact OG1-NE2 3.25Å; T2986-H3068 VanDerWaalsContact CG2-CE1 3.49Å; T2986-H3068 WeakPolarHBondContact CG2-CE1 3.39Å; T2986-H3068 VanDerWaalsContact CG2-ND1 3.28Å; T2986-H3068 WeakPolarHBondContact CG2-ND1 3.38Å
2987F43Very low54.4Low138.5 Ų138.5102.6 Ų102.661%0.60755%0.547SS*.  trans158123167.4-52.5-68.1000114.4P2921 I2989 H3068P2921-F2987 HydrophobicContact CB-CE1 3.98Å; P2921-F2987 HydrophobicContact CB-CZ 4.12Å; P2921-F2987 HydrophobicContact CG-CE1 3.91Å; P2921-F2987 HydrophobicContact CG-CZ 4.24Å; F2987-I2989 PolarHBondContact O-N 2.89Å; F2987-H3068 HydrophobicContact CZ-CB 4.42Å
2988P41.6Very low52.3Low122 Ų122110.4 Ų110.479%0.79258%0.576SS**  -105.6151.1-104.333.1-23.9000110.3S2990P2988-S2990 PolarHBondContact O-N 2.86Å
2989I42.7Very low49.9Very low152.5 Ų152.5116.6 Ų116.678%0.78259%0.594SS**  trans-163.4105.9162.4-57.2166.7000109.7F2987 D2991F2987-I2989 PolarHBondContact O-N 2.89Å; I2989-D2991 PolarHBondContact O-N 2.9Å; I2989-D2991 VanDerWaalsContact O-N 3.13Å
2990S36.8Very low47.5Very low110 Ų110122.4 Ų122.477%0.76963%0.629SS**  trans-61.7105.5162.953.80000109.3P2988P2988-S2990 PolarHBondContact O-N 2.86Å
2991D42.6Very low45.5Very low150.5 Ų150.5127.8 Ų127.881%0.80567%0.667SS**  trans-153.1140.3138.2-112.9-28.7000111.3I2989 N2993I2989-D2991 PolarHBondContact O-N 2.9Å; I2989-D2991 VanDerWaalsContact O-N 3.13Å; D2991-N2993 PolarHBondContact O-N 3.13Å
2992S42.6Very low43.4Very low93 Ų93129.3 Ų129.365%0.6567%0.674SS**  trans-79.6141.3-174.655.60000112.2
2993N42.3Very low41.9Very low144.5 Ų144.5135.2 Ų135.277%0.77370%0.697SS**  trans122.3105.3149.7-70-44.7000115.1D2991D2991-N2993 PolarHBondContact O-N 3.13Å
2994R41.4Very low40.7Very low244.5 Ų244.5141.6 Ų141.692%0.92373%0.731SS**  trans141.294.4149.8-88.6169.7169.4-179.9-3.1114.1
2995N33Very low40Very low155 Ų155144.6 Ų144.683%0.82975%0.747SS**  -8.5131.9102.2-74.7-23.4000112.6
2996S42.4Very low39.4Very low105 Ų105140.5 Ų140.573%0.73474%0.735SS**  trans127.6108.4151.1540000116.4
2997L36.1Very low39.2Very low132 Ų132144.8 Ų144.869%0.69176%0.756SS**  116.8140.7126.6-82119.5000117.4
2998Y41.8Very low39.3Very low200 Ų200145 Ų14578%0.78476%0.764SS**  trans73.483.7164.1-48.4-64.4000118
2999R32Very low39.4Very low231.5 Ų231.5144 Ų14487%0.87476%0.759SS**  -5.8111.776-178.1-169.8-80.2-169.1-3.4111.3
3000T34.4Very low39.2Very low122.5 Ų122.5144.1 Ų144.175%0.75276%0.761SS**  trans112.6118.8153.239.20000116.6
3001S41Very low39.5Very low116 Ų116144.7 Ų144.781%0.81177%0.765SS**  170.184.1117.764.50000111.9
3002I32.3Very low39.1Very low132 Ų132145.6 Ų145.668%0.67777%0.767SS**  trans-133.8103144.7-62.6-177000106.4
3003M36.2Very low38.6Very low182 Ų182147.9 Ų147.990%0.89777%0.771SS**  trans-144.6138.2155.9-94.8-159.4175.800107.8
3004N39.7Very low38.2Very low145 Ų145147.7 Ų147.778%0.77578%0.776SS**  trans70140.4165.9-91.5-6000119.2
3005N39.1Very low37.7Very low123 Ų123145.7 Ų145.766%0.65877%0.768SS**  cis-172.2156-23.8-139.4-5.5000107
3006N39.6Very low37.8Very low115 Ų115143.1 Ų143.162%0.61576%0.762SS**  trans90.5109.9147.1-64.2-8.7000121.7
3007N41.9Very low37.2Very low126 Ų126148 Ų14867%0.67477%0.766SS**  94.387.8128.2-58.6-4.2000118.4
3008N45.2Very low37.1Very low144 Ų144150.6 Ų150.677%0.7777%0.774SS**  152.7136.490.7-85.2-15.4000112.8
3009S44.9Very low37Very low100 Ų100145 Ų14570%0.69976%0.764SS**  trans69.389.7155.544.60000120
3010N39Very low37.6Very low155 Ų155143.1 Ų143.183%0.82977%0.765SS**  58.393.1116.5-53.7-12000119
3011S42.5Very low38.5Very low122 Ų122140.6 Ų140.685%0.85375%0.747SS**  -178.5113104.842.20000112.1
3012M33.1Very low39.6Very low170 Ų170139.3 Ų139.384%0.83773%0.731SS**  trans30.6111.6151.9-81.1-176.5163.500122.1
3013L33.1Very low42Very low140 Ų140135.6 Ų135.673%0.73372%0.716SS**  64.398.7121.2-62.9162.6000118.1
3014T34.6Very low44.4Very low142 Ų142126.9 Ų126.987%0.87167%0.674SS**  -176.9109.6107.225.60000109.5
3015R29Very low46.6Very low201 Ų201121.4 Ų121.476%0.75865%0.645SS**  trans-93.2103.1177.6-164-178.8-155.8167.16.2107.3
3016S35.5Very low48.9Very low101 Ų101115.6 Ų115.671%0.70661%0.614SS**  trans-117.1125.9162.750.90000108.6Q3018S3016-Q3018 PolarHBondContact O-N 3.43Å
3017Y30.7Very low51.1Low209 Ų209113.9 Ų113.982%0.8261%0.605SS**  trans-59.4111.4-179.2-80.9-102.9000110.1S3019Y3017-S3019 PolarHBondContact O-N 2.7Å
3018Q34.2Very low53.1Low185 Ų185109.8 Ų109.886%0.86459%0.586SS**  trans-91.690.3170.8-156.3140.53.100107.2S3016 Q3020S3016-Q3018 PolarHBondContact O-N 3.43Å; Q3018-Q3020 PolarHBondContact O-N 2.92Å
3019S40.1Very low55.1Low82 Ų82103.3 Ų103.357%0.57355%0.552SS**  trans-54.3131.5160.543.10000107.1Y3017 I3021Y3017-S3019 PolarHBondContact O-N 2.7Å; S3019-I3021 WeakPolarHBondContact O-CG1 3.28Å; S3019-I3021 PolarHBondContact O-N 2.83Å
3020Q43.4Very low57.1Low193 Ų19398.6 Ų98.690%0.90252%0.519SS*.  trans-61.887.6169.1-119.8170.7-28.800106.7Q3018 D3022Q3018-Q3020 PolarHBondContact O-N 2.92Å; Q3020-D3022 PolarHBondContact O-N 3.11Å
3021I53.7Low59.6Low70 Ų7091.2 Ų91.236%0.35948%0.479SS..  trans-77.3107.6176.9-63.2168.9000105.9S3019 S3023S3019-I3021 WeakPolarHBondContact O-CG1 3.28Å; S3019-I3021 PolarHBondContact O-N 2.83Å; I3021-S3023 PolarHBondContact O-N 3.12Å
3022D64.9Low61.7Low89 Ų8985.8 Ų85.848%0.47644%0.44SS..  trans-53.2128.9171.4-73.6-30.6000109.3V2979 Q3020V2979-D3022 HydrophobicContact CG2-CB 4.05Å; V2979-D3022 VanDerWaalsContact CG2-O 3.3Å; V2979-D3022 WeakPolarHBondContact CG2-O 3.47Å; Q3020-D3022 PolarHBondContact O-N 3.11Å
3023S81Confident64.5Low53 Ų5377.8 Ų77.837%0.37140%0.401SS..  trans-104.7148.4175.3690000110.1I3021 H3060I3021-S3023 PolarHBondContact O-N 3.12Å; S3023-H3060 WeakPolarHBondContact CB-CE1 2.99Å; S3023-H3060 WeakPolarHBondContact CB-ND1 3.32Å
3024V86.3Confident67.4Low0 Ų071.1 Ų71.10%037%0.366CS..EExtended strand (participates in β ladder)trans-108.3119.8174.458.90000109.6Q2975 L2976 V2979 L3026 S3058 F3059Q2975-V3024 HydrophobicContact CB-CB 4.25Å; Q2975-V3024 HydrophobicContact CB-CG2 3.67Å; L2976-V3024 HydrophobicContact CB-CG2 4.29Å; L2976-V3024 HydrophobicContact CD1-CG1 3.81Å; V2979-V3024 HydrophobicContact CG2-CB 4.04Å; V2979-V3024 HydrophobicContact CG2-CG1 4.38Å; V3024-L3026 HydrophobicContact CG2-CD2 3.8Å; V3024-L3026 HydrophobicContact CG2-CG 4.32Å; V3024-S3058 CarbonylContact O-C 3.5Å; V3024-S3058 WeakPolarHBondContact O-CA 3.38Å; V3024-F3059 HydrophobicContact CG1-CB 3.62Å; V3024-F3059 HydrophobicContact CG1-CG 4.5Å; V3024-F3059 PolarHBondContact N-O 3.48Å; V3024-F3059 PolarHBondContact O-N 3.39Å
3025T86.4Confident70.2Confident30 Ų3064.7 Ų64.718%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-93.3110.4177.755.20000109.3K3077T3025-K3077 HydrophobicContact CG2-CD 3.7Å
3026L87.6Confident73.1Confident0 Ų055.1 Ų55.10%029%0.29CS..EExtended strand (participates in β ladder)trans-97.4126.9176.2-60-176.1000109.1F2855 L2940 E2972 V3024 V3029 N3056 V3057 F3059F2855-L3026 HydrophobicContact CE1-CD1 3.79Å; F2855-L3026 HydrophobicContact CZ-CD1 4Å; L2940-L3026 HydrophobicContact CD1-CD1 4.4Å; L2940-L3026 HydrophobicContact CD2-CD1 3.9Å; E2972-L3026 HydrophobicContact CB-CD2 3.72Å; E2972-L3026 HydrophobicContact CG-CD2 3.75Å; V3024-L3026 HydrophobicContact CG2-CD2 3.8Å; V3024-L3026 HydrophobicContact CG2-CG 4.32Å; L3026-V3029 HydrophobicContact CB-CG2 3.43Å; L3026-V3029 VanDerWaalsContact CB-CG2 3.43Å; L3026-V3029 WeakPolarHBondContact O-CG2 3.5Å; L3026-N3056 WeakPolarHBondContact O-CA 3.43Å; L3026-V3057 PolarHBondContact N-O 2.84Å; L3026-V3057 PolarHBondContact O-N 3.45Å; L3026-F3059 HydrophobicContact CB-CD2 4.43Å; L3026-F3059 HydrophobicContact CB-CE2 4.25Å; L3026-F3059 HydrophobicContact CD1-CD2 3.79Å; L3026-F3059 HydrophobicContact CD1-CE2 3.58Å; L3026-F3059 HydrophobicContact CD1-CG 4.4Å; L3026-F3059 HydrophobicContact CD1-CZ 4Å; L3026-F3059 HydrophobicContact CG-CD2 4.04Å; L3026-F3059 HydrophobicContact CG-CE2 4.13Å
3027N86.5Confident75.6Confident79 Ų7953.1 Ų53.142%0.42227%0.268SS..EExtended strand (participates in β ladder)trans-89.4145.8-175.4-65.7-21.5000111.8R2966 E2972 V3029 N3056R2966-N3027 PolarHBondContact NE-O 2.98Å; R2966-N3027 PolarHBondContact NH2-O 3.24Å; E2972-N3027 PolarHBondContact OE1-N 3.31Å; N3027-V3029 PolarHBondContact O-N 2.86Å; N3027-N3056 VanDerWaalsContact CA-OD1 3.24Å; N3027-N3056 WeakPolarHBondContact CA-OD1 3.34Å
3028S83.3Confident77.9Confident41 Ų4145.1 Ų45.129%0.28724%0.238SC..EExtended strand (participates in β ladder)trans50.555.7175.8-590000113.5P3051 N3056S3028-P3051 PolarHBondContact OG-O 3.11Å; S3028-N3056 PolarHBondContact N-OD1 3.31Å
3029V86.2Confident80.1Confident8 Ų840.9 Ų40.95%0.04822%0.221CC..EExtended strand (participates in β ladder)trans-100.4-46.6-170.6170.40000112.8F2853 L2940 L3026 N3027 V3055 V3057F2853-V3029 HydrophobicContact CD1-CG1 3.92Å; F2853-V3029 HydrophobicContact CE1-CG1 3.21Å; F2853-V3029 HydrophobicContact CZ-CG1 3.93Å; L2940-V3029 HydrophobicContact CD2-CB 4.12Å; L2940-V3029 HydrophobicContact CD2-CG1 3.59Å; L2940-V3029 HydrophobicContact CD2-CG2 3.51Å; L3026-V3029 HydrophobicContact CB-CG2 3.43Å; L3026-V3029 VanDerWaalsContact CB-CG2 3.43Å; L3026-V3029 WeakPolarHBondContact O-CG2 3.5Å; N3027-V3029 PolarHBondContact O-N 2.86Å; V3029-V3055 PolarHBondContact N-O 3.07Å; V3029-V3057 HydrophobicContact CB-CG2 4.35Å; V3029-V3057 HydrophobicContact CG1-CG2 4.49Å
3030L88.4Confident82.3Confident0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-104118-172.9178.277000110.4F2853 I2909 F2942 R3032 Y3054 V3055 V3057 L3106 V3108F2853-L3030 HydrophobicContact CZ-CB 4.46Å; F2853-L3030 HydrophobicContact CZ-CD1 4.05Å; I2909-L3030 HydrophobicContact CD1-CD1 4.27Å; F2942-L3030 HydrophobicContact CD1-CD1 4.41Å; F2942-L3030 HydrophobicContact CD2-CD1 4.12Å; F2942-L3030 HydrophobicContact CE1-CD1 3.8Å; F2942-L3030 HydrophobicContact CE2-CD1 3.41Å; F2942-L3030 VanDerWaalsContact CE2-CD1 3.41Å; F2942-L3030 HydrophobicContact CZ-CD1 3.22Å; L3030-R3032 PolarHBondContact O-N 3.15Å; L3030-Y3054 CarbonylContact O-C 3.57Å; L3030-Y3054 WeakPolarHBondContact O-CA 3.38Å; L3030-V3055 HydrophobicContact CB-CB 4.18Å; L3030-V3055 HydrophobicContact CD2-CG2 4.48Å; L3030-V3055 PolarHBondContact N-O 3.17Å; L3030-V3055 PolarHBondContact O-N 2.74Å; L3030-V3057 HydrophobicContact CB-CG2 4.24Å; L3030-L3106 HydrophobicContact CD2-CB 3.92Å; L3030-L3106 HydrophobicContact CD2-CD2 3.88Å; L3030-V3108 HydrophobicContact CD1-CG2 4Å; L3030-V3108 HydrophobicContact CD2-CG2 4.12Å; L3030-V3108 HydrophobicContact CG-CG2 4.2Å
3031P90.3Very high84.5Confident0 Ų032.2 Ų32.20%017%0.17CC..  trans-67.6117.2171.328-33000110F2942 F2964 V3034 Y3054F2942-P3031 VanDerWaalsContact CD1-CD 3.41Å; F2942-P3031 HydrophobicContact CD1-CG 3.77Å; F2942-P3031 HydrophobicContact CE1-CG 3.63Å; F2964-P3031 HydrophobicContact CD1-CB 4.48Å; F2964-P3031 HydrophobicContact CD1-CG 4.12Å; F2964-P3031 HydrophobicContact CD2-CG 3.8Å; F2964-P3031 HydrophobicContact CE1-CB 4.34Å; F2964-P3031 HydrophobicContact CE1-CG 4.14Å; F2964-P3031 HydrophobicContact CE2-CG 3.81Å; F2964-P3031 HydrophobicContact CG-CG 3.94Å; F2964-P3031 HydrophobicContact CZ-CB 4.47Å; F2964-P3031 HydrophobicContact CZ-CG 3.99Å; P3031-V3034 HydrophobicContact CB-CG2 4.34Å; P3031-V3034 HydrophobicContact CG-CG2 4.31Å; P3031-Y3054 HydrophobicContact CB-CD1 4.22Å; P3031-Y3054 HydrophobicContact CB-CD2 4.45Å; P3031-Y3054 HydrophobicContact CB-CE1 3.85Å; P3031-Y3054 HydrophobicContact CB-CE2 4.08Å
3032R87.9Confident86.2Confident9 Ų934.1 Ų34.13%0.03417%0.173CC..SBendtrans-71.1-32.3-178.4-179161.8-79.8-161.7-1113L3030 V3055 E3076 F3088 L3109L3030-R3032 PolarHBondContact O-N 3.15Å; R3032-V3055 HydrophobicContact CB-CG2 4.09Å; R3032-V3055 VanDerWaalsContact NE-CG2 3.27Å; R3032-V3055 VanDerWaalsContact NH2-CG2 3.25Å; R3032-E3076 IonicContact CZ-OE1 2.77Å; R3032-E3076 IonicContact NH2-OE1 3.77Å; R3032-E3076 PolarHBondContact NH2-OE1 3.25Å; R3032-E3076 IonicContact NH2-OE2 3.27Å; R3032-E3076 PolarHBondContact NH2-OE2 2.7Å; R3032-F3088 VanDerWaalsContact CD-CD2 3.44Å; R3032-F3088 HydrophobicContact CG-CD2 3.81Å; R3032-F3088 HydrophobicContact CG-CE2 3.6Å; R3032-F3088 HydrophobicContact CG-CG 4.46Å; R3032-F3088 HydrophobicContact CG-CZ 4.11Å; R3032-L3109 PolarHBondContact O-N 3.1Å
3033Y92.1Very high87.3Confident2 Ų230.7 Ų30.71%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-121.9120.5-173.7-54.7-72000110.5F2882 A3044 L3048 D3085 F3088 L3109 F3111F2882-Y3033 HydrophobicContact CE2-CE1 4.28Å; F2882-Y3033 AromaticContact CZ-CE1 3.73Å; F2882-Y3033 HydrophobicContact CZ-CE1 3.73Å; Y3033-A3044 PolarHBondContact O-N 3.02Å; Y3033-L3048 HydrophobicContact CD1-CD2 4.19Å; Y3033-L3048 HydrophobicContact CD2-CB 3.84Å; Y3033-L3048 HydrophobicContact CD2-CD2 3.65Å; Y3033-L3048 HydrophobicContact CD2-CG 4.33Å; Y3033-L3048 WeakPolarHBondContact CD2-O 3.09Å; Y3033-L3048 HydrophobicContact CE1-CD2 4.04Å; Y3033-L3048 HydrophobicContact CE2-CB 4.47Å; Y3033-L3048 HydrophobicContact CE2-CD2 3.45Å; Y3033-L3048 VanDerWaalsContact CE2-CD2 3.45Å; Y3033-L3048 HydrophobicContact CG-CB 4.02Å; Y3033-L3048 HydrophobicContact CG-CD2 4Å; Y3033-L3048 HydrophobicContact CG-CG 4.49Å; Y3033-D3085 PolarHBondContact OH-OD2 3.25Å; Y3033-F3088 AromaticContact CE1-CD2 3.88Å; Y3033-F3088 HydrophobicContact CE1-CD2 3.88Å; Y3033-F3088 HydrophobicContact CE1-CE2 4.33Å; Y3033-F3088 AromaticContact CZ-CD2 3.91Å; Y3033-L3109 HydrophobicContact CD1-CB 3.99Å; Y3033-L3109 HydrophobicContact CD1-CD2 3.9Å; Y3033-L3109 HydrophobicContact CD1-CG 4.48Å; Y3033-L3109 HydrophobicContact CE1-CB 4.42Å; Y3033-L3109 HydrophobicContact CE1-CD2 3.94Å; Y3033-F3111 HydrophobicContact CD1-CE2 4.22Å
3034V93.1Very high87.7Confident0 Ų028.6 Ų28.60%014%0.144CC..EExtended strand (participates in β ladder)trans-129.9132.9-174.2-176.80000110.5M2944 P3031 L3036 L3041 R3042 V3108 L3109 T3110 F3111M2944-V3034 HydrophobicContact CE-CB 4.29Å; M2944-V3034 HydrophobicContact CE-CG1 4.05Å; M2944-V3034 HydrophobicContact CE-CG2 4.48Å; M2944-V3034 HydrophobicContact SD-CB 4.29Å; M2944-V3034 HydrophobicContact SD-CG1 3.96Å; M2944-V3034 HydrophobicContact SD-CG2 3.94Å; P3031-V3034 HydrophobicContact CB-CG2 4.34Å; P3031-V3034 HydrophobicContact CG-CG2 4.31Å; V3034-L3036 HydrophobicContact CB-CD1 4.48Å; V3034-L3036 HydrophobicContact CG1-CD1 3.84Å; V3034-L3041 HydrophobicContact CG1-CD1 3.9Å; V3034-L3041 HydrophobicContact CG1-CD2 3.47Å; V3034-L3041 VanDerWaalsContact CG1-CD2 3.47Å; V3034-L3041 HydrophobicContact CG1-CG 3.5Å; V3034-L3041 VanDerWaalsContact CG1-CG 3.5Å; V3034-R3042 CarbonylContact C-O 3.55Å; V3034-R3042 VanDerWaalsContact CG1-O 3.27Å; V3034-R3042 WeakPolarHBondContact CG1-O 3.32Å; V3034-V3108 HydrophobicContact CB-CG1 4.31Å; V3034-V3108 HydrophobicContact CG2-CG1 3.74Å; V3034-L3109 PolarHBondContact N-O 3.29Å; V3034-T3110 CarbonylContact O-C 3.59Å; V3034-T3110 WeakPolarHBondContact O-CA 3.45Å; V3034-F3111 PolarHBondContact O-N 2.8Å
3035L93.3Very high87.7Confident6 Ų633.4 Ų33.43%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-98.1120.9174178.469.9000111F2895 F2899 K3037 R3042 Y3045 F3111F2895-L3035 HydrophobicContact CE2-CD1 4.42Å; F2895-L3035 HydrophobicContact CE2-CD2 4.42Å; F2895-L3035 HydrophobicContact CZ-CD1 4.37Å; F2899-L3035 HydrophobicContact CE1-CD1 3.99Å; F2899-L3035 HydrophobicContact CE2-CD1 4.38Å; F2899-L3035 HydrophobicContact CZ-CD1 3.49Å; F2899-L3035 VanDerWaalsContact CZ-CD1 3.49Å; L3035-K3037 HydrophobicContact CD2-CD 4.39Å; L3035-K3037 HydrophobicContact CD2-CG 3.87Å; L3035-K3037 HydrophobicContact CG-CG 4.05Å; L3035-R3042 PolarHBondContact N-O 3.1Å; L3035-R3042 PolarHBondContact O-N 2.96Å; L3035-Y3045 HydrophobicContact CD2-CD2 3.96Å; L3035-Y3045 HydrophobicContact CD2-CE2 3.48Å; L3035-Y3045 VanDerWaalsContact CD2-CE2 3.48Å; L3035-F3111 HydrophobicContact CD1-CB 3.74Å; L3035-F3111 WeakPolarHBondContact CD1-O 3.35Å
3036L91.2Very high87.7Confident0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-9689.7176.1-93.573.7000109.1P2846 M2944 C2946 R2948 V3034 L3041 T3110 F3111 N3112 E3113P2846-L3036 HydrophobicContact CB-CD2 4.11Å; P2846-L3036 HydrophobicContact CG-CD2 4.15Å; M2944-L3036 HydrophobicContact CE-CD1 4.15Å; C2946-L3036 HydrophobicContact CB-CD2 3.81Å; R2948-L3036 VanDerWaalsContact NH2-CB 3.35Å; R2948-L3036 PolarHBondContact NH2-O 3.5Å; V3034-L3036 HydrophobicContact CB-CD1 4.48Å; V3034-L3036 HydrophobicContact CG1-CD1 3.84Å; L3036-L3041 HydrophobicContact CD1-CD1 3.82Å; L3036-L3041 HydrophobicContact CD1-CG 4.2Å; L3036-L3041 HydrophobicContact CG-CD1 4.22Å; L3036-T3110 HydrophobicContact CD1-CG2 3.93Å; L3036-F3111 PolarHBondContact N-O 3.43Å; L3036-N3112 WeakPolarHBondContact CB-OD1 3.3Å; L3036-N3112 WeakPolarHBondContact CD2-OD1 3.18Å; L3036-E3113 PolarHBondContact O-N 3.34Å; L3036-E3113 VanDerWaalsContact O-N 3.1Å
3037K87.8Confident87.6Confident59 Ų5937.5 Ų37.526%0.25719%0.185SC..  trans-76.3167.3172.3-66.9-165.2166.8-161.60111.9R2948 L3035 D3039 K3040 E3113R2948-K3037 PolarHBondContact NH1-O 3.27Å; R2948-K3037 PolarHBondContact NH2-O 3.11Å; L3035-K3037 HydrophobicContact CD2-CD 4.39Å; L3035-K3037 HydrophobicContact CD2-CG 3.87Å; L3035-K3037 HydrophobicContact CG-CG 4.05Å; K3037-D3039 VanDerWaalsContact C-N 3.28Å; K3037-D3039 PolarHBondContact O-N 3.2Å; K3037-K3040 HydrophobicContact CB-CG 4.4Å; K3037-K3040 VanDerWaalsContact CB-O 3.32Å; K3037-K3040 WeakPolarHBondContact CB-O 3.34Å; K3037-K3040 PolarHBondContact N-O 2.82Å; K3037-K3040 VanDerWaalsContact N-O 3.07Å; K3037-E3113 VanDerWaalsContact CA-OE2 3.27Å; K3037-E3113 WeakPolarHBondContact CA-OE2 3.39Å; K3037-E3113 WeakPolarHBondContact CB-OE2 3.27Å
3038K78.6Confident87.6Confident41 Ų4133.8 Ų33.818%0.17817%0.166CC..SBendtrans-46.7-47.9178.8-168.9-175.7174.4-179.30113.9R2948 E3113 V3115R2948-K3038 PolarHBondContact NH1-O 3.13Å; R2948-K3038 VanDerWaalsContact NH1-O 3.15Å; K3038-E3113 PolarHBondContact N-OE2 2.9Å; K3038-E3113 VanDerWaalsContact N-OE2 3.1Å; K3038-V3115 HydrophobicContact CG-CG2 4.36Å
3039D80.3Confident87.6Confident96 Ų9632.8 Ų32.851%0.51316%0.162SC..SBendtrans-115.7-12-170.4-53.3-34.7000115K3037K3037-D3039 VanDerWaalsContact C-N 3.28Å; K3037-D3039 PolarHBondContact O-N 3.2Å
3040K86.5Confident87.4Confident91 Ų9135.2 Ų35.240%0.39617%0.174SC..  trans-148.4151.3-176.564.5-175.7174.1-1680112.5K3037 R3042K3037-K3040 HydrophobicContact CB-CG 4.4Å; K3037-K3040 VanDerWaalsContact CB-O 3.32Å; K3037-K3040 WeakPolarHBondContact CB-O 3.34Å; K3037-K3040 PolarHBondContact N-O 2.82Å; K3037-K3040 VanDerWaalsContact N-O 3.07Å; K3040-R3042 VanDerWaalsContact NZ-NH2 3.11Å
3041L89.9Confident87.1Confident2 Ų238.7 Ų38.71%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-97.5144.3173.3-178.5149.9000106.9M2944 V2960 D2962 F2964 V3034 L3036M2944-L3041 HydrophobicContact CB-CD1 4.46Å; M2944-L3041 HydrophobicContact CE-CD1 3.79Å; M2944-L3041 HydrophobicContact CG-CD1 3.85Å; M2944-L3041 HydrophobicContact SD-CD1 3.86Å; M2944-L3041 HydrophobicContact SD-CD2 4.34Å; V2960-L3041 HydrophobicContact CG1-CB 3.71Å; D2962-L3041 HydrophobicContact CB-CB 4.01Å; D2962-L3041 HydrophobicContact CB-CD2 3.37Å; D2962-L3041 HydrophobicContact CB-CG 4.29Å; F2964-L3041 HydrophobicContact CE2-CD2 3.79Å; F2964-L3041 HydrophobicContact CZ-CD2 3.9Å; V3034-L3041 HydrophobicContact CG1-CD1 3.9Å; V3034-L3041 HydrophobicContact CG1-CD2 3.47Å; V3034-L3041 VanDerWaalsContact CG1-CD2 3.47Å; V3034-L3041 HydrophobicContact CG1-CG 3.5Å; V3034-L3041 VanDerWaalsContact CG1-CG 3.5Å; L3036-L3041 HydrophobicContact CD1-CD1 3.82Å; L3036-L3041 HydrophobicContact CD1-CG 4.2Å; L3036-L3041 HydrophobicContact CG-CD1 4.22Å
3042R89.1Confident86.5Confident110 Ų11045.6 Ų45.642%0.41523%0.23SC..EExtended strand (participates in β ladder)trans-147.5159.4176.1-75.3-166.1170.7-171.9-6.7109.6V3034 L3035 K3040V3034-R3042 CarbonylContact C-O 3.55Å; V3034-R3042 VanDerWaalsContact CG1-O 3.27Å; V3034-R3042 WeakPolarHBondContact CG1-O 3.32Å; L3035-R3042 PolarHBondContact N-O 3.1Å; L3035-R3042 PolarHBondContact O-N 2.96Å; K3040-R3042 VanDerWaalsContact NZ-NH2 3.11Å
3043G87.4Confident86.2Confident17 Ų1745.9 Ų45.918%0.17523%0.232CC..EExtended strand (participates in β ladder)trans-56156.7161.700000111.5
3044A89.4Confident86Confident9 Ų947.9 Ų47.97%0.07424%0.24CC..PPolyproline II helixtrans-61.7172.517500000112.4F2895 Y3033 L3048 G3049 F3111F2895-A3044 HydrophobicContact CE1-CB 4.33Å; F2895-A3044 HydrophobicContact CZ-CB 4.47Å; Y3033-A3044 PolarHBondContact O-N 3.02Å; A3044-L3048 HydrophobicContact CB-CB 3.67Å; A3044-G3049 WeakPolarHBondContact O-CA 3.44Å; A3044-F3111 HydrophobicContact CB-CE2 4.49Å
3045Y87.3Confident85.5Confident102 Ų10248.3 Ų48.340%0.424%0.243SC..SBendtrans-95162.2179.4-76.9-86.5000112.2F2895 L3035 L3048F2895-Y3045 AromaticContact CD2-CD2 3.9Å; F2895-Y3045 HydrophobicContact CD2-CD2 3.9Å; F2895-Y3045 HydrophobicContact CD2-CG 4.29Å; F2895-Y3045 AromaticContact CE2-CD2 3.66Å; F2895-Y3045 HydrophobicContact CE2-CD2 3.66Å; F2895-Y3045 HydrophobicContact CE2-CG 4.42Å; L3035-Y3045 HydrophobicContact CD2-CD2 3.96Å; L3035-Y3045 HydrophobicContact CD2-CE2 3.48Å; L3035-Y3045 VanDerWaalsContact CD2-CE2 3.48Å; Y3045-L3048 PolarHBondContact O-N 3.33Å
3046A85.5Confident85.2Confident36 Ų3649.4 Ų49.430%0.29825%0.248SC..G310 helixtrans57.6-141.4177.200000112.3Q2891 T2892 L3048 G3049Q2891-A3046 HydrophobicContact CB-CB 3.62Å; T2892-A3046 WeakPolarHBondContact OG1-CB 3.34Å; A3046-L3048 PolarHBondContact O-N 3.06Å; A3046-G3049 PolarHBondContact O-N 2.71Å
3047F86.3Confident85.1Confident79 Ų7949.4 Ų49.435%0.34625%0.248SC..G310 helixtrans-55.9-36.2-178.7179.9-105.5000112.4D2889 T2892 G3049 D3050 T3053D2889-F3047 WeakPolarHBondContact OD2-CB 3.36Å; T2892-F3047 WeakPolarHBondContact OG1-CB 3.36Å; T2892-F3047 PolarHBondContact OG1-N 3.28Å; F3047-G3049 PolarHBondContact O-N 3.23Å; F3047-D3050 WeakPolarHBondContact O-CB 3.33Å; F3047-D3050 PolarHBondContact O-N 3.46Å; F3047-D3050 VanDerWaalsContact O-N 3.14Å; F3047-T3053 HydrophobicContact CD1-CG2 4.21Å; F3047-T3053 HydrophobicContact CE1-CG2 3.96Å; F3047-T3053 HydrophobicContact CE2-CG2 4.49Å; F3047-T3053 HydrophobicContact CZ-CG2 4.11Å; F3047-T3053 WeakPolarHBondContact O-CG2 3.42Å
3048L86.1Confident85.1Confident1 Ų146.9 Ų46.91%0.00524%0.238CC..G310 helixtrans-65.2-19.5179.2-58.8172.2000113.9F2882 T2892 F2895 L2896 Y3033 A3044 Y3045 A3046 T3053 F3111F2882-L3048 HydrophobicContact CZ-CD2 4.03Å; T2892-L3048 HydrophobicContact CG2-CD1 3.64Å; T2892-L3048 HydrophobicContact CG2-CD2 4.21Å; T2892-L3048 HydrophobicContact CG2-CG 3.62Å; F2895-L3048 HydrophobicContact CD1-CD1 3.94Å; F2895-L3048 HydrophobicContact CE1-CD1 4.08Å; L2896-L3048 HydrophobicContact CD2-CD1 3.78Å; L2896-L3048 HydrophobicContact CG-CD1 4.19Å; Y3033-L3048 HydrophobicContact CD1-CD2 4.19Å; Y3033-L3048 HydrophobicContact CD2-CB 3.84Å; Y3033-L3048 HydrophobicContact CD2-CD2 3.65Å; Y3033-L3048 HydrophobicContact CD2-CG 4.33Å; Y3033-L3048 WeakPolarHBondContact CD2-O 3.09Å; Y3033-L3048 HydrophobicContact CE1-CD2 4.04Å; Y3033-L3048 HydrophobicContact CE2-CB 4.47Å; Y3033-L3048 HydrophobicContact CE2-CD2 3.45Å; Y3033-L3048 VanDerWaalsContact CE2-CD2 3.45Å; Y3033-L3048 HydrophobicContact CG-CB 4.02Å; Y3033-L3048 HydrophobicContact CG-CD2 4Å; Y3033-L3048 HydrophobicContact CG-CG 4.49Å; A3044-L3048 HydrophobicContact CB-CB 3.67Å; Y3045-L3048 PolarHBondContact O-N 3.33Å; A3046-L3048 PolarHBondContact O-N 3.06Å; L3048-T3053 PolarHBondContact O-OG1 3.04Å; L3048-F3111 HydrophobicContact CD1-CZ 4.31Å
3049G83Confident85.6Confident20 Ų2044.9 Ų44.921%0.20623%0.23CC..G310 helixtrans-95.6-9.2177.500000114.4A3044 A3046 F3047A3044-G3049 WeakPolarHBondContact O-CA 3.44Å; A3046-G3049 PolarHBondContact O-N 2.71Å; F3047-G3049 PolarHBondContact O-N 3.23Å
3050D83.1Confident85.9Confident59 Ų5941.5 Ų41.532%0.31621%0.21SC..SBendtrans-68.5133.1-175.4-166.8-26.5000109.9F3047 Q3052 T3053F3047-D3050 WeakPolarHBondContact O-CB 3.33Å; F3047-D3050 PolarHBondContact O-N 3.46Å; F3047-D3050 VanDerWaalsContact O-N 3.14Å; D3050-Q3052 PolarHBondContact O-N 2.9Å; D3050-Q3052 PolarHBondContact OD1-N 2.52Å; D3050-Q3052 VanDerWaalsContact OD1-N 3.17Å; D3050-T3053 PolarHBondContact O-N 2.91Å; D3050-T3053 PolarHBondContact O-OG1 3.24Å
3051P80.5Confident85.9Confident74 Ų7437.4 Ų37.448%0.48119%0.193SC..G310 helixtrans-48.9-22.4171.6-30.735000115.2S3028 T3053 Y3054S3028-P3051 PolarHBondContact OG-O 3.11Å; P3051-T3053 PolarHBondContact O-N 3.33Å; P3051-Y3054 WeakPolarHBondContact O-CB 3.41Å; P3051-Y3054 PolarHBondContact O-N 2.88Å
3052Q78.2Confident85.7Confident145 Ų14539.6 Ų39.668%0.67820%0.203SC*.G310 helixtrans-63.1-26.2172.4-64.3-172.67.700113.6D3050 Y3054D3050-Q3052 PolarHBondContact O-N 2.9Å; D3050-Q3052 PolarHBondContact OD1-N 2.52Å; D3050-Q3052 VanDerWaalsContact OD1-N 3.17Å; Q3052-Y3054 VanDerWaalsContact C-N 3.31Å
3053T81.6Confident85.2Confident14 Ų1437.1 Ų37.19%0.08620%0.196CC..G310 helixtrans-84.9-4.7176.665.30000113.4F3047 L3048 D3050 P3051F3047-T3053 HydrophobicContact CD1-CG2 4.21Å; F3047-T3053 HydrophobicContact CE1-CG2 3.96Å; F3047-T3053 HydrophobicContact CE2-CG2 4.49Å; F3047-T3053 HydrophobicContact CZ-CG2 4.11Å; F3047-T3053 WeakPolarHBondContact O-CG2 3.42Å; L3048-T3053 PolarHBondContact O-OG1 3.04Å; D3050-T3053 PolarHBondContact O-N 2.91Å; D3050-T3053 PolarHBondContact O-OG1 3.24Å; P3051-T3053 PolarHBondContact O-N 3.33Å
3054Y86.9Confident84.9Confident45 Ų4539 Ų3918%0.17620%0.202CC..SBendtrans-75.1141.2-177.6-7222.3000109.9L3030 P3031 P3051 Q3052L3030-Y3054 CarbonylContact O-C 3.57Å; L3030-Y3054 WeakPolarHBondContact O-CA 3.38Å; P3031-Y3054 HydrophobicContact CB-CD1 4.22Å; P3031-Y3054 HydrophobicContact CB-CD2 4.45Å; P3031-Y3054 HydrophobicContact CB-CE1 3.85Å; P3031-Y3054 HydrophobicContact CB-CE2 4.08Å; P3051-Y3054 WeakPolarHBondContact O-CB 3.41Å; P3051-Y3054 PolarHBondContact O-N 2.88Å; Q3052-Y3054 VanDerWaalsContact C-N 3.31Å
3055V84.1Confident84.2Confident9 Ų946 Ų466%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-80.4137.5-173.2-169.80000110.3V3029 L3030 R3032 E3076V3029-V3055 PolarHBondContact N-O 3.07Å; L3030-V3055 HydrophobicContact CB-CB 4.18Å; L3030-V3055 HydrophobicContact CD2-CG2 4.48Å; L3030-V3055 PolarHBondContact N-O 3.17Å; L3030-V3055 PolarHBondContact O-N 2.74Å; R3032-V3055 HydrophobicContact CB-CG2 4.09Å; R3032-V3055 VanDerWaalsContact NE-CG2 3.27Å; R3032-V3055 VanDerWaalsContact NH2-CG2 3.25Å; V3055-E3076 HydrophobicContact CG1-CB 4.29Å; V3055-E3076 HydrophobicContact CG1-CG 3.47Å; V3055-E3076 VanDerWaalsContact CG1-CG 3.47Å
3056N86.8Confident83.7Confident28 Ų2848.4 Ų48.415%0.1526%0.256CS..EExtended strand (participates in β ladder)trans-80.6130.5170.7-60.6-22.4000109.2L3026 N3027 S3028 K3077L3026-N3056 WeakPolarHBondContact O-CA 3.43Å; N3027-N3056 VanDerWaalsContact CA-OD1 3.24Å; N3027-N3056 WeakPolarHBondContact CA-OD1 3.34Å; S3028-N3056 PolarHBondContact N-OD1 3.31Å; N3056-K3077 PolarHBondContact O-N 3.05Å
3057V88.1Confident83.3Confident0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-122.3127.9-173.9-178.90000109.1L3026 V3029 L3030 F3059 L3074 K3075 L3106L3026-V3057 PolarHBondContact N-O 2.84Å; L3026-V3057 PolarHBondContact O-N 3.45Å; V3029-V3057 HydrophobicContact CB-CG2 4.35Å; V3029-V3057 HydrophobicContact CG1-CG2 4.49Å; L3030-V3057 HydrophobicContact CB-CG2 4.24Å; V3057-F3059 HydrophobicContact CB-CD2 4.4Å; V3057-F3059 HydrophobicContact CB-CE2 3.93Å; V3057-F3059 HydrophobicContact CG1-CD2 3.99Å; V3057-F3059 HydrophobicContact CG1-CE2 3.69Å; V3057-F3059 HydrophobicContact CG1-CZ 4.48Å; V3057-L3074 HydrophobicContact CG1-CB 3.79Å; V3057-L3074 HydrophobicContact CG1-CD1 4.41Å; V3057-L3074 HydrophobicContact CG1-CD2 4.09Å; V3057-L3074 HydrophobicContact CG1-CG 4.31Å; V3057-K3075 CarbonylContact C-O 3.56Å; V3057-K3075 WeakPolarHBondContact CA-O 3.33Å; V3057-L3106 HydrophobicContact CG1-CD2 3.99Å; V3057-L3106 HydrophobicContact CG2-CD2 3.69Å
3058S88.4Confident82.7Confident6 Ų649.6 Ų49.64%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-88.3127.8168.863.10000110V3024 H3060 L3074 K3075V3024-S3058 CarbonylContact O-C 3.5Å; V3024-S3058 WeakPolarHBondContact O-CA 3.38Å; S3058-H3060 PolarHBondContact OG-NE2 3.07Å; S3058-H3060 VanDerWaalsContact OG-NE2 3.16Å; S3058-L3074 CarbonylContact O-C 3.59Å; S3058-L3074 WeakPolarHBondContact O-CA 3.01Å; S3058-K3075 PolarHBondContact N-O 3.03Å; S3058-K3075 PolarHBondContact O-N 3.09Å; S3058-K3075 WeakPolarHBondContact OG-CB 3.31Å; S3058-K3075 PolarHBondContact OG-O 3.22Å
3059F89Confident82.6Confident0 Ų054 Ų540%028%0.282CS..EExtended strand (participates in β ladder)trans-101.1126.8176.6-72-121000108.1F2853 F2855 V3024 L3026 V3057 W3072 L3074F2853-F3059 HydrophobicContact CB-CE1 4.29Å; F2853-F3059 HydrophobicContact CB-CZ 4.42Å; F2853-F3059 HydrophobicContact CD1-CZ 4.22Å; F2853-F3059 HydrophobicContact CG-CE1 4.46Å; F2853-F3059 HydrophobicContact CG-CZ 4.15Å; F2855-F3059 HydrophobicContact CZ-CD1 4.35Å; F2855-F3059 HydrophobicContact CZ-CE1 4.27Å; V3024-F3059 HydrophobicContact CG1-CB 3.62Å; V3024-F3059 HydrophobicContact CG1-CG 4.5Å; V3024-F3059 PolarHBondContact N-O 3.48Å; V3024-F3059 PolarHBondContact O-N 3.39Å; L3026-F3059 HydrophobicContact CB-CD2 4.43Å; L3026-F3059 HydrophobicContact CB-CE2 4.25Å; L3026-F3059 HydrophobicContact CD1-CD2 3.79Å; L3026-F3059 HydrophobicContact CD1-CE2 3.58Å; L3026-F3059 HydrophobicContact CD1-CG 4.4Å; L3026-F3059 HydrophobicContact CD1-CZ 4Å; L3026-F3059 HydrophobicContact CG-CD2 4.04Å; L3026-F3059 HydrophobicContact CG-CE2 4.13Å; V3057-F3059 HydrophobicContact CB-CD2 4.4Å; V3057-F3059 HydrophobicContact CB-CE2 3.93Å; V3057-F3059 HydrophobicContact CG1-CD2 3.99Å; V3057-F3059 HydrophobicContact CG1-CE2 3.69Å; V3057-F3059 HydrophobicContact CG1-CZ 4.48Å; F3059-W3072 HydrophobicContact CB-CE3 3.94Å; F3059-W3072 HydrophobicContact CB-CZ3 3.96Å; F3059-W3072 HydrophobicContact CD1-CE3 4.2Å; F3059-L3074 HydrophobicContact CB-CD2 4.15Å; F3059-L3074 HydrophobicContact CD1-CD2 3.2Å; F3059-L3074 HydrophobicContact CD2-CD2 3.77Å; F3059-L3074 HydrophobicContact CE1-CD2 3.32Å; F3059-L3074 HydrophobicContact CE2-CD2 3.86Å; F3059-L3074 HydrophobicContact CG-CD2 3.41Å; F3059-L3074 VanDerWaalsContact CG-CD2 3.41Å; F3059-L3074 HydrophobicContact CZ-CD1 4.48Å; F3059-L3074 HydrophobicContact CZ-CD2 3.64Å
3060H87.3Confident82.7Confident24 Ų2454.1 Ų54.111%0.11128%0.279CS..EExtended strand (participates in β ladder)trans-117.5131.8175.6-61.2-102.4000107.9S3023 S3058 W3072 E3073S3023-H3060 WeakPolarHBondContact CB-CE1 2.99Å; S3023-H3060 WeakPolarHBondContact CB-ND1 3.32Å; S3058-H3060 PolarHBondContact OG-NE2 3.07Å; S3058-H3060 VanDerWaalsContact OG-NE2 3.16Å; H3060-W3072 CarbonylContact O-C 3.6Å; H3060-W3072 WeakPolarHBondContact O-CA 3.36Å; H3060-E3073 HydrophobicContact CB-CB 4.26Å; H3060-E3073 PolarHBondContact N-O 3.19Å; H3060-E3073 PolarHBondContact O-N 3.01Å
3061I86.2Confident83Confident5 Ų555.2 Ų55.23%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-98.7129.9173.1-168.1164.3000108.9W2917 V2979 L2980 T2983 W3072W2917-I3061 HydrophobicContact CE3-CD1 4.38Å; W2917-I3061 HydrophobicContact CZ3-CD1 4.15Å; V2979-I3061 HydrophobicContact CG1-CB 4.27Å; V2979-I3061 HydrophobicContact CG1-CG2 3.54Å; L2980-I3061 HydrophobicContact CD2-CD1 4.16Å; T2983-I3061 HydrophobicContact CG2-CD1 3.96Å; T2983-I3061 HydrophobicContact CG2-CG1 4.25Å; T2983-I3061 HydrophobicContact CG2-CG2 3.66Å; I3061-W3072 HydrophobicContact CB-CD2 4.34Å; I3061-W3072 HydrophobicContact CB-CE3 4.02Å; I3061-W3072 HydrophobicContact CB-CH2 4.1Å; I3061-W3072 HydrophobicContact CB-CZ2 4.4Å; I3061-W3072 HydrophobicContact CB-CZ3 3.9Å; I3061-W3072 HydrophobicContact CD1-CH2 4.14Å; I3061-W3072 HydrophobicContact CD1-CZ2 3.75Å; I3061-W3072 HydrophobicContact CG1-CD2 4.44Å; I3061-W3072 HydrophobicContact CG1-CZ2 4.36Å
3062H84.8Confident83.4Confident48 Ų4851.7 Ų51.722%0.22226%0.256CS..EExtended strand (participates in β ladder)trans-109.6144.1171.7-69.9-85.6000109T3070 W3071 E3073H3062-T3070 CarbonylContact O-C 3.59Å; H3062-T3070 WeakPolarHBondContact O-CA 3.44Å; H3062-W3071 HydrophobicContact CB-CD2 3.8Å; H3062-W3071 HydrophobicContact CB-CE3 4.42Å; H3062-W3071 HydrophobicContact CB-CG 4.22Å; H3062-W3071 HydrophobicContact CB-CH2 4.15Å; H3062-W3071 HydrophobicContact CB-CZ2 3.49Å; H3062-W3071 VanDerWaalsContact CB-CZ2 3.49Å; H3062-W3071 AromaticContact CD2-NE1 3.72Å; H3062-W3071 AromaticContact CG-CE2 3.98Å; H3062-W3071 AromaticContact CG-NE1 3.69Å; H3062-W3071 PolarHBondContact N-O 3.37Å; H3062-W3071 PolarHBondContact O-N 3.39Å; H3062-E3073 IonicContact CD2-OE2 3.02Å; H3062-E3073 IonicContact CE1-OE2 3.95Å; H3062-E3073 IonicContact NE2-OE2 3.61Å; H3062-E3073 PolarHBondContact NE2-OE2 3.48Å
3063Q79.4Confident83.9Confident58 Ų5845.5 Ų45.527%0.27123%0.227SC..EExtended strand (participates in β ladder)trans-131.5128.8177.7-175.8175.18.300108.8T2986 Q3069 T3070T2986-Q3063 PolarHBondContact OG1-NE2 3.25Å; Q3063-Q3069 WeakPolarHBondContact CA-O 3.47Å; Q3063-T3070 HydrophobicContact CB-CG2 4.01Å; Q3063-T3070 HydrophobicContact CG-CG2 3.87Å
3064D80.7Confident84.3Confident56 Ų5644.9 Ų44.930%0.29922%0.223SC..  trans-75.8125.8167178.322.7000109.5I3066 S3067 H3068 Q3069 W3071D3064-I3066 PolarHBondContact O-N 3.21Å; D3064-I3066 PolarHBondContact OD1-N 3.37Å; D3064-S3067 WeakPolarHBondContact CB-OG 3.38Å; D3064-S3067 WeakPolarHBondContact OD2-CB 3.37Å; D3064-S3067 PolarHBondContact OD2-N 3.02Å; D3064-S3067 PolarHBondContact OD2-OG 3.41Å; D3064-H3068 VanDerWaalsContact O-CA 3.26Å; D3064-H3068 WeakPolarHBondContact O-CA 3.46Å; D3064-H3068 PolarHBondContact O-N 2.99Å; D3064-H3068 VanDerWaalsContact O-N 3.07Å; D3064-Q3069 PolarHBondContact N-O 3.44Å; D3064-W3071 HydrophobicContact CB-CH2 4.4Å; D3064-W3071 HydrophobicContact CB-CZ3 3.99Å
3065L75.7Confident84.3Confident157 Ų15744.3 Ų44.382%0.82222%0.221SC*.THydrogen-bonded Turntrans-66.8-22.8-178.9-69162.8000112.3
3066I77Confident84.2Confident153 Ų15344.1 Ų44.179%0.78522%0.22SC*.THydrogen-bonded Turntrans-96.5-54-175.3-58.1171.9000111.5D3064 H3068D3064-I3066 PolarHBondContact O-N 3.21Å; D3064-I3066 PolarHBondContact OD1-N 3.37Å; I3066-H3068 VanDerWaalsContact C-N 3.33Å
3067S76.2Confident83.6Confident49 Ų4947.4 Ų47.434%0.34323%0.233SC..THydrogen-bonded Turntrans-84.2-7.9-177.666.80000113.8D3064 Q3069D3064-S3067 WeakPolarHBondContact CB-OG 3.38Å; D3064-S3067 WeakPolarHBondContact OD2-CB 3.37Å; D3064-S3067 PolarHBondContact OD2-N 3.02Å; D3064-S3067 PolarHBondContact OD2-OG 3.41Å; S3067-Q3069 PolarHBondContact O-N 3.48Å; S3067-Q3069 WeakPolarHBondContact OG-CB 3.39Å; S3067-Q3069 WeakPolarHBondContact OG-CG 3.46Å; S3067-Q3069 PolarHBondContact OG-N 2.87Å
3068H73.7Confident82.5Confident90 Ų9049.5 Ų49.542%0.41724%0.243SC..  trans55.216.2-171.9-57-54.8000113.9T2986 F2987 D3064 I3066T2986-H3068 VanDerWaalsContact CG2-CE1 3.49Å; T2986-H3068 WeakPolarHBondContact CG2-CE1 3.39Å; T2986-H3068 VanDerWaalsContact CG2-ND1 3.28Å; T2986-H3068 WeakPolarHBondContact CG2-ND1 3.38Å; F2987-H3068 HydrophobicContact CZ-CB 4.42Å; D3064-H3068 VanDerWaalsContact O-CA 3.26Å; D3064-H3068 WeakPolarHBondContact O-CA 3.46Å; D3064-H3068 PolarHBondContact O-N 2.99Å; D3064-H3068 VanDerWaalsContact O-N 3.07Å; I3066-H3068 VanDerWaalsContact C-N 3.33Å
3069Q83.5Confident81Confident94 Ų9451.9 Ų51.944%0.43926%0.256SS..  trans-75.6141.3176.5-68177.5-2.800109.8I2916 Q3063 D3064 S3067I2916-Q3069 VanDerWaalsContact CD1-OE1 3.23Å; I2916-Q3069 HydrophobicContact CG2-CB 3.96Å; I2916-Q3069 HydrophobicContact CG2-CG 4.36Å; Q3063-Q3069 WeakPolarHBondContact CA-O 3.47Å; D3064-Q3069 PolarHBondContact N-O 3.44Å; S3067-Q3069 PolarHBondContact O-N 3.48Å; S3067-Q3069 WeakPolarHBondContact OG-CB 3.39Å; S3067-Q3069 WeakPolarHBondContact OG-CG 3.46Å; S3067-Q3069 PolarHBondContact OG-N 2.87Å
3070T85.3Confident79.3Confident23 Ų2358.5 Ų58.514%0.14130%0.302CS..EExtended strand (participates in β ladder)trans-119142.417956.70000110.7I2916 W2917 H3062 Q3063I2916-T3070 WeakPolarHBondContact CG2-O 3.45Å; W2917-T3070 WeakPolarHBondContact CB-O 3.12Å; W2917-T3070 PolarHBondContact N-O 3.35Å; H3062-T3070 CarbonylContact O-C 3.59Å; H3062-T3070 WeakPolarHBondContact O-CA 3.44Å; Q3063-T3070 HydrophobicContact CB-CG2 4.01Å; Q3063-T3070 HydrophobicContact CG-CG2 3.87Å
3071W88.6Confident77.5Confident81 Ų8160.1 Ų60.131%0.30732%0.316SS..EExtended strand (participates in β ladder)trans-140.1159.7172.565.492.8000110.2H3062 D3064H3062-W3071 HydrophobicContact CB-CD2 3.8Å; H3062-W3071 HydrophobicContact CB-CE3 4.42Å; H3062-W3071 HydrophobicContact CB-CG 4.22Å; H3062-W3071 HydrophobicContact CB-CH2 4.15Å; H3062-W3071 HydrophobicContact CB-CZ2 3.49Å; H3062-W3071 VanDerWaalsContact CB-CZ2 3.49Å; H3062-W3071 AromaticContact CD2-NE1 3.72Å; H3062-W3071 AromaticContact CG-CE2 3.98Å; H3062-W3071 AromaticContact CG-NE1 3.69Å; H3062-W3071 PolarHBondContact N-O 3.37Å; H3062-W3071 PolarHBondContact O-N 3.39Å; D3064-W3071 HydrophobicContact CB-CH2 4.4Å; D3064-W3071 HydrophobicContact CB-CZ3 3.99Å
3072W89.4Confident75.8Confident1 Ų166.2 Ų66.20%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-105.4138.7-179.4-6785.9000110.9T2861 S2913 W2917 L2976 V2979 L2980 F3059 H3060 I3061T2861-W3072 WeakPolarHBondContact O-CB 3.26Å; S2913-W3072 WeakPolarHBondContact CB-O 3.38Å; S2913-W3072 PolarHBondContact N-O 2.92Å; W2917-W3072 AromaticContact CD2-NE1 3.4Å; W2917-W3072 AromaticContact CE2-NE1 3.93Å; W2917-W3072 HydrophobicContact CE3-CZ2 4.46Å; W2917-W3072 AromaticContact CE3-NE1 3.38Å; W2917-W3072 AromaticContact CG-NE1 3.76Å; W2917-W3072 HydrophobicContact CH2-CZ2 4.29Å; W2917-W3072 HydrophobicContact CZ3-CZ2 4.1Å; W2917-W3072 AromaticContact CZ3-NE1 3.88Å; L2976-W3072 HydrophobicContact CD1-CH2 3.92Å; L2976-W3072 HydrophobicContact CD1-CZ3 4.45Å; V2979-W3072 HydrophobicContact CG1-CH2 4.39Å; V2979-W3072 HydrophobicContact CG1-CZ3 4.3Å; L2980-W3072 HydrophobicContact CD2-CH2 3.98Å; L2980-W3072 HydrophobicContact CD2-CZ2 3.79Å; F3059-W3072 HydrophobicContact CB-CE3 3.94Å; F3059-W3072 HydrophobicContact CB-CZ3 3.96Å; F3059-W3072 HydrophobicContact CD1-CE3 4.2Å; H3060-W3072 CarbonylContact O-C 3.6Å; H3060-W3072 WeakPolarHBondContact O-CA 3.36Å; I3061-W3072 HydrophobicContact CB-CD2 4.34Å; I3061-W3072 HydrophobicContact CB-CE3 4.02Å; I3061-W3072 HydrophobicContact CB-CH2 4.1Å; I3061-W3072 HydrophobicContact CB-CZ2 4.4Å; I3061-W3072 HydrophobicContact CB-CZ3 3.9Å; I3061-W3072 HydrophobicContact CD1-CH2 4.14Å; I3061-W3072 HydrophobicContact CD1-CZ2 3.75Å; I3061-W3072 HydrophobicContact CG1-CD2 4.44Å; I3061-W3072 HydrophobicContact CG1-CZ2 4.36Å
3073E89.3Confident74Confident15 Ų1567.4 Ų67.47%0.0737%0.37CS..EExtended strand (participates in β ladder)trans-113.3131.6167.6179.7-171.5-177.500108.8G2911 F2912 H3060 H3062 K3075G2911-E3073 CarbonylContact O-C 3.57Å; G2911-E3073 VanDerWaalsContact O-CA 3.29Å; G2911-E3073 WeakPolarHBondContact O-CA 3.29Å; F2912-E3073 HydrophobicContact CD1-CB 4.13Å; F2912-E3073 HydrophobicContact CD1-CG 3.92Å; F2912-E3073 HydrophobicContact CE1-CB 4.18Å; F2912-E3073 VanDerWaalsContact CE1-CD 3.41Å; F2912-E3073 HydrophobicContact CE1-CG 3.72Å; F2912-E3073 HydrophobicContact CZ-CG 4.27Å; F2912-E3073 WeakPolarHBondContact CZ-OE1 3.25Å; H3060-E3073 HydrophobicContact CB-CB 4.26Å; H3060-E3073 PolarHBondContact N-O 3.19Å; H3060-E3073 PolarHBondContact O-N 3.01Å; H3062-E3073 IonicContact CD2-OE2 3.02Å; H3062-E3073 IonicContact CE1-OE2 3.95Å; H3062-E3073 IonicContact NE2-OE2 3.61Å; H3062-E3073 PolarHBondContact NE2-OE2 3.48Å; E3073-K3075 HydrophobicContact CG-CG 4.47Å; E3073-K3075 WeakPolarHBondContact OE1-CE 3.47Å; E3073-K3075 IonicContact OE1-NZ 3.29Å
3074L90.1Very high72.9Confident0 Ų066.4 Ų66.40%037%0.369CS..EExtended strand (participates in β ladder)trans-109.2131.9178.4-56.8-173.6000109.2F2853 F2862 G2911 V3057 S3058 F3059 L3106F2853-L3074 HydrophobicContact CD2-CD1 3.43Å; F2853-L3074 VanDerWaalsContact CD2-CD1 3.43Å; F2853-L3074 HydrophobicContact CE2-CD1 3.47Å; F2853-L3074 VanDerWaalsContact CE2-CD1 3.47Å; F2853-L3074 HydrophobicContact CG-CD1 4.43Å; F2862-L3074 HydrophobicContact CB-CD1 3.94Å; F2862-L3074 HydrophobicContact CB-CG 4.38Å; F2862-L3074 HydrophobicContact CD1-CD1 3.63Å; F2862-L3074 HydrophobicContact CD2-CD1 3.54Å; F2862-L3074 HydrophobicContact CD2-CG 3.59Å; F2862-L3074 HydrophobicContact CE1-CD1 3.93Å; F2862-L3074 HydrophobicContact CE2-CB 4.45Å; F2862-L3074 HydrophobicContact CE2-CD1 3.83Å; F2862-L3074 HydrophobicContact CE2-CG 3.91Å; F2862-L3074 HydrophobicContact CG-CD1 3.42Å; F2862-L3074 VanDerWaalsContact CG-CD1 3.42Å; F2862-L3074 HydrophobicContact CG-CG 3.96Å; F2862-L3074 HydrophobicContact CZ-CD1 4.02Å; G2911-L3074 WeakPolarHBondContact CA-O 3.49Å; G2911-L3074 PolarHBondContact O-N 3.37Å; V3057-L3074 HydrophobicContact CG1-CB 3.79Å; V3057-L3074 HydrophobicContact CG1-CD1 4.41Å; V3057-L3074 HydrophobicContact CG1-CD2 4.09Å; V3057-L3074 HydrophobicContact CG1-CG 4.31Å; S3058-L3074 CarbonylContact O-C 3.59Å; S3058-L3074 WeakPolarHBondContact O-CA 3.01Å; F3059-L3074 HydrophobicContact CB-CD2 4.15Å; F3059-L3074 HydrophobicContact CD1-CD2 3.2Å; F3059-L3074 HydrophobicContact CD2-CD2 3.77Å; F3059-L3074 HydrophobicContact CE1-CD2 3.32Å; F3059-L3074 HydrophobicContact CE2-CD2 3.86Å; F3059-L3074 HydrophobicContact CG-CD2 3.41Å; F3059-L3074 VanDerWaalsContact CG-CD2 3.41Å; F3059-L3074 HydrophobicContact CZ-CD1 4.48Å; F3059-L3074 HydrophobicContact CZ-CD2 3.64Å; L3074-L3106 HydrophobicContact CB-CD1 3.89Å; L3074-L3106 HydrophobicContact CB-CD2 4.44Å
3075K86.3Confident72.2Confident34 Ų3464.5 Ų64.515%0.14836%0.359CS..EExtended strand (participates in β ladder)trans-125.6142.8171.7-57.2179.1174.7-178.30110.8V3057 S3058 E3073 K3077 E3102V3057-K3075 CarbonylContact C-O 3.56Å; V3057-K3075 WeakPolarHBondContact CA-O 3.33Å; S3058-K3075 PolarHBondContact N-O 3.03Å; S3058-K3075 PolarHBondContact O-N 3.09Å; S3058-K3075 WeakPolarHBondContact OG-CB 3.31Å; S3058-K3075 PolarHBondContact OG-O 3.22Å; E3073-K3075 HydrophobicContact CG-CG 4.47Å; E3073-K3075 WeakPolarHBondContact OE1-CE 3.47Å; E3073-K3075 IonicContact OE1-NZ 3.29Å; K3075-K3077 PolarHBondContact O-N 3.2Å; K3075-E3102 IonicContact NZ-OE2 3.74Å; K3075-E3102 PolarHBondContact NZ-OE2 2.96Å
3076E81.8Confident72Confident5 Ų561.6 Ų61.62%0.02335%0.35CS..EExtended strand (participates in β ladder)trans-75.9118.5173.6171.9170.715800109.2R3032 V3055 I3078 R3092 A3103R3032-E3076 IonicContact CZ-OE1 2.77Å; R3032-E3076 IonicContact NH2-OE1 3.77Å; R3032-E3076 PolarHBondContact NH2-OE1 3.25Å; R3032-E3076 IonicContact NH2-OE2 3.27Å; R3032-E3076 PolarHBondContact NH2-OE2 2.7Å; V3055-E3076 HydrophobicContact CG1-CB 4.29Å; V3055-E3076 HydrophobicContact CG1-CG 3.47Å; V3055-E3076 VanDerWaalsContact CG1-CG 3.47Å; E3076-I3078 HydrophobicContact CG-CG1 4.27Å; E3076-I3078 PolarHBondContact O-N 2.82Å; E3076-R3092 IonicContact OE1-NH2 2.8Å; E3076-R3092 PolarHBondContact OE1-NH2 3Å; E3076-R3092 IonicContact OE2-NH2 2.72Å; E3076-A3103 PolarHBondContact N-O 3.45Å
3077K74.2Confident72.1Confident96 Ų9654.7 Ų54.742%0.41732%0.315SS..  trans-89.2104.6175.2-172.5169.8-178.3173.30109.5T3025 N3056 K3075 N3079T3025-K3077 HydrophobicContact CG2-CD 3.7Å; N3056-K3077 PolarHBondContact O-N 3.05Å; K3075-K3077 PolarHBondContact O-N 3.2Å; K3077-N3079 PolarHBondContact O-N 2.9Å
3078I65.6Low72.3Confident44 Ų4452.4 Ų52.423%0.22630%0.299CS..  trans-80.7103.4171.1-53.2172.2000106.2E3076 S3080E3076-I3078 HydrophobicContact CG-CG1 4.27Å; E3076-I3078 PolarHBondContact O-N 2.82Å; I3078-S3080 PolarHBondContact O-N 3.18Å
3079N58Low72.3Confident56 Ų5652 Ų5230%0.29930%0.297SS..  trans-59.9130.5170.1-73.5-13.4000107.5K3077 S3081K3077-N3079 PolarHBondContact O-N 2.9Å; N3079-S3081 PolarHBondContact O-N 2.83Å; N3079-S3081 VanDerWaalsContact O-O 3.05Å
3080S52.5Low71.9Confident140 Ų14050.5 Ų50.598%0.97929%0.294SS*.SBendtrans-66.519.2173.147.80000113.6I3078I3078-S3080 PolarHBondContact O-N 3.18Å
3081S49.3Very low71.5Confident58 Ų5849.6 Ų49.641%0.40629%0.288SS..SBendtrans-120.7153.2177.5670000109.1N3079 S3083N3079-S3081 PolarHBondContact O-N 2.83Å; N3079-S3081 VanDerWaalsContact O-O 3.05Å; S3081-S3083 PolarHBondContact O-N 3.11Å
3082P50Low70.8Confident133 Ų13347.9 Ų47.986%0.86428%0.282SS*.SBendtrans-70.234.6-167.731-37.3000115.7
3083S48.6Very low69.7Low72 Ų7249.8 Ų49.850%0.50329%0.291SS..  trans-94.40.7178.462.20000113.8S3081S3081-S3083 PolarHBondContact O-N 3.11Å
3084S56.3Low68.2Low38 Ų3854.2 Ų54.227%0.26632%0.321SS..SBendtrans-88.7130.6161.752.10000108.5P3086S3084-P3086 VanDerWaalsContact O-CD 3.23Å; S3084-P3086 WeakPolarHBondContact O-CD 3.25Å
3085D65.8Low66.5Low15 Ų1558.8 Ų58.88%0.0835%0.349CS..  trans-53.8109.9176.7178.27.8000109.7H2886 Y3033 C3087 F3088H2886-D3085 IonicContact CE1-OD1 3.35Å; H2886-D3085 IonicContact CE1-OD2 3.01Å; H2886-D3085 IonicContact NE2-OD2 2.65Å; Y3033-D3085 PolarHBondContact OH-OD2 3.25Å; D3085-C3087 PolarHBondContact O-N 2.76Å; D3085-C3087 VanDerWaalsContact O-N 3.08Å; D3085-C3087 VanDerWaalsContact OD1-CB 3.31Å; D3085-C3087 WeakPolarHBondContact OD1-CB 3.1Å; D3085-C3087 PolarHBondContact OD1-N 2.99Å; D3085-C3087 VanDerWaalsContact OD1-N 3.13Å; D3085-F3088 HydrophobicContact CB-CB 4.45Å; D3085-F3088 WeakPolarHBondContact O-CB 3.35Å; D3085-F3088 PolarHBondContact O-N 2.72Å
3086P70.1Confident65Low97 Ų9758.6 Ų58.663%0.6335%0.349SS*.THydrogen-bonded Turntrans-63.2-20.7-175.126.5-34.6000111.6S3084 F3088S3084-P3086 VanDerWaalsContact O-CD 3.23Å; S3084-P3086 WeakPolarHBondContact O-CD 3.25Å; P3086-F3088 VanDerWaalsContact C-N 3.34Å
3087C80.6Confident63.5Low8 Ų863 Ų635%0.05438%0.38CS..THydrogen-bonded Turntrans-73.6-25.6177.3-60.30000112.7F2882 C2885 H2886 D3085 E3089 V3090F2882-C3087 HydrophobicContact CD2-CB 4.24Å; F2882-C3087 WeakPolarHBondContact CD2-O 3.34Å; F2882-C3087 HydrophobicContact CE2-CB 4.12Å; C2885-C3087 VanDerWaalsContact C-SG 3.56Å; C2885-C3087 HydrophobicContact CB-CB 3.59Å; C2885-C3087 WeakPolarHBondContact CB-SG 3.36Å; C2885-C3087 WeakPolarHBondContact SG-CA 3.37Å; C2885-C3087 WeakPolarHBondContact SG-CB 3.09Å; C2885-C3087 CovalentContact SG-SG 2.03Å; C2885-C3087 PolarHBondContact SG-SG 3.46Å; H2886-C3087 VanDerWaalsContact NE2-CB 3.32Å; H2886-C3087 WeakPolarHBondContact NE2-CB 3.37Å; D3085-C3087 PolarHBondContact O-N 2.76Å; D3085-C3087 VanDerWaalsContact O-N 3.08Å; D3085-C3087 VanDerWaalsContact OD1-CB 3.31Å; D3085-C3087 WeakPolarHBondContact OD1-CB 3.1Å; D3085-C3087 PolarHBondContact OD1-N 2.99Å; D3085-C3087 VanDerWaalsContact OD1-N 3.13Å; C3087-E3089 VanDerWaalsContact C-N 3.34Å; C3087-E3089 PolarHBondContact O-N 3.21Å; C3087-V3090 WeakPolarHBondContact O-CB 3.11Å; C3087-V3090 PolarHBondContact O-N 2.77Å
3088F79.9Confident62.3Low0 Ų066 Ų660%040%0.401CS..Hα-helixtrans-66.8-35.9179.6-174.1-104.4000112.7Y2906 R3032 Y3033 D3085 P3086 V3090 I3091 R3092 S3107Y2906-F3088 HydrophobicContact CE2-CE2 4.28Å; Y2906-F3088 AromaticContact CE2-CZ 3.81Å; Y2906-F3088 HydrophobicContact CE2-CZ 3.81Å; R3032-F3088 VanDerWaalsContact CD-CD2 3.44Å; R3032-F3088 HydrophobicContact CG-CD2 3.81Å; R3032-F3088 HydrophobicContact CG-CE2 3.6Å; R3032-F3088 HydrophobicContact CG-CG 4.46Å; R3032-F3088 HydrophobicContact CG-CZ 4.11Å; Y3033-F3088 AromaticContact CE1-CD2 3.88Å; Y3033-F3088 HydrophobicContact CE1-CD2 3.88Å; Y3033-F3088 HydrophobicContact CE1-CE2 4.33Å; Y3033-F3088 AromaticContact CZ-CD2 3.91Å; D3085-F3088 HydrophobicContact CB-CB 4.45Å; D3085-F3088 WeakPolarHBondContact O-CB 3.35Å; D3085-F3088 PolarHBondContact O-N 2.72Å; P3086-F3088 VanDerWaalsContact C-N 3.34Å; F3088-V3090 PolarHBondContact O-N 2.84Å; F3088-V3090 VanDerWaalsContact O-N 3.08Å; F3088-I3091 PolarHBondContact O-N 2.92Å; F3088-R3092 PolarHBondContact O-N 3.3Å; F3088-S3107 WeakPolarHBondContact CZ-OG 3.33Å
3089E73.7Confident61.6Low83 Ų8370.2 Ų70.239%0.38842%0.424SS..Hα-helixtrans-61.4-19.8179-62.3-57.9148.400112.6C3087 R3092C3087-E3089 VanDerWaalsContact C-N 3.34Å; C3087-E3089 PolarHBondContact O-N 3.21Å; E3089-R3092 IonicContact OE1-CZ 2.69Å; E3089-R3092 IonicContact OE1-NH1 2.63Å; E3089-R3092 PolarHBondContact OE1-NH1 2.71Å; E3089-R3092 IonicContact OE1-NH2 3.81Å; E3089-R3092 WeakPolarHBondContact OE2-CD 3.33Å; E3089-R3092 IonicContact OE2-CZ 3.03Å; E3089-R3092 IonicContact OE2-NE 3.56Å; E3089-R3092 IonicContact OE2-NH1 3.21Å; E3089-R3092 PolarHBondContact OE2-NH1 2.84Å
3090V75.8Confident61.4Low62 Ų6271.5 Ų71.538%0.37644%0.443SS..Hα-helixtrans-74.8-28.9176.5-1760000112.4N2881 C3087 F3088N2881-V3090 HydrophobicContact CB-CG1 3.37Å; C3087-V3090 WeakPolarHBondContact O-CB 3.11Å; C3087-V3090 PolarHBondContact O-N 2.77Å; F3088-V3090 PolarHBondContact O-N 2.84Å; F3088-V3090 VanDerWaalsContact O-N 3.08Å
3091I76.9Confident61.4Low3 Ų370.6 Ų70.62%0.01543%0.431CS..Hα-helixtrans-96.8-16.5177.4-74.5-167.7000112.3F2882 Y2906 F3088 H3093 L3109F2882-I3091 HydrophobicContact CB-CD1 3.27Å; F2882-I3091 HydrophobicContact CB-CG1 3.53Å; F2882-I3091 HydrophobicContact CD1-CD1 3.4Å; F2882-I3091 VanDerWaalsContact CD1-CD1 3.4Å; F2882-I3091 HydrophobicContact CD1-CG1 4.45Å; F2882-I3091 HydrophobicContact CD2-CD1 3.49Å; F2882-I3091 VanDerWaalsContact CD2-CD1 3.49Å; F2882-I3091 HydrophobicContact CD2-CG1 3.73Å; F2882-I3091 HydrophobicContact CE1-CD1 4.03Å; F2882-I3091 HydrophobicContact CE2-CD1 4.12Å; F2882-I3091 HydrophobicContact CG-CD1 3.09Å; F2882-I3091 HydrophobicContact CG-CG1 3.68Å; F2882-I3091 HydrophobicContact CZ-CD1 4.36Å; Y2906-I3091 HydrophobicContact CD2-CG2 4.21Å; F3088-I3091 PolarHBondContact O-N 2.92Å; I3091-H3093 PolarHBondContact O-N 3.17Å; I3091-H3093 VanDerWaalsContact O-N 3.12Å; I3091-L3109 HydrophobicContact CD1-CD2 4.2Å; I3091-L3109 HydrophobicContact CG2-CD1 4.31Å; I3091-L3109 HydrophobicContact CG2-CD2 4.45Å
3092R73.2Confident61.7Low46 Ų4672.7 Ų72.717%0.17443%0.434CS..SBendtrans-56122-174.8-178174.8-96.4164.5-6110.5E3076 F3088 E3089E3076-R3092 IonicContact OE1-NH2 2.8Å; E3076-R3092 PolarHBondContact OE1-NH2 3Å; E3076-R3092 IonicContact OE2-NH2 2.72Å; F3088-R3092 PolarHBondContact O-N 3.3Å; E3089-R3092 IonicContact OE1-CZ 2.69Å; E3089-R3092 IonicContact OE1-NH1 2.63Å; E3089-R3092 PolarHBondContact OE1-NH1 2.71Å; E3089-R3092 IonicContact OE1-NH2 3.81Å; E3089-R3092 WeakPolarHBondContact OE2-CD 3.33Å; E3089-R3092 IonicContact OE2-CZ 3.03Å; E3089-R3092 IonicContact OE2-NE 3.56Å; E3089-R3092 IonicContact OE2-NH1 3.21Å; E3089-R3092 PolarHBondContact OE2-NH1 2.84Å
3093H66.5Low62.1Low41 Ų4167.3 Ų67.319%0.1940%0.401CS..  trans-62.6134.3-175.7-168.3-90.1000110.9Y2906 I3091 T3095 L3096Y2906-H3093 HydrophobicContact CD1-CB 3.94Å; Y2906-H3093 HydrophobicContact CE1-CB 3.73Å; I3091-H3093 PolarHBondContact O-N 3.17Å; I3091-H3093 VanDerWaalsContact O-N 3.12Å; H3093-T3095 VanDerWaalsContact CE1-CG2 3.5Å; H3093-T3095 WeakPolarHBondContact CE1-CG2 3.23Å; H3093-T3095 PolarHBondContact CE1-OG1 2.98Å; H3093-T3095 PolarHBondContact ND1-N 3.18Å; H3093-T3095 PolarHBondContact ND1-OG1 3.34Å; H3093-T3095 PolarHBondContact O-N 2.96Å; H3093-L3096 PolarHBondContact O-N 3.14Å
3094P57.3Low63.1Low107 Ų10767.8 Ų67.870%0.69540%0.398SS*.THydrogen-bonded Turntrans-67.7-7.7-169.523.2-33.1000115.3L3096P3094-L3096 VanDerWaalsContact C-N 3.3Å; P3094-L3096 PolarHBondContact O-N 2.84Å
3095T54.3Low64.1Low96 Ų9667.5 Ų67.559%0.58940%0.395SS*.THydrogen-bonded Turntrans-81.7-3.3179.1580000114.1H3093H3093-T3095 VanDerWaalsContact CE1-CG2 3.5Å; H3093-T3095 WeakPolarHBondContact CE1-CG2 3.23Å; H3093-T3095 PolarHBondContact CE1-OG1 2.98Å; H3093-T3095 PolarHBondContact ND1-N 3.18Å; H3093-T3095 PolarHBondContact ND1-OG1 3.34Å; H3093-T3095 PolarHBondContact O-N 2.96Å
3096L55Low65.1Low30 Ų3066.8 Ų66.816%0.15739%0.391CS..SBendtrans-90.1111.8167.7-89.974.4000108.9T2908 H3093 P3094 V3105T2908-L3096 HydrophobicContact CG2-CD1 4.21Å; H3093-L3096 PolarHBondContact O-N 3.14Å; P3094-L3096 VanDerWaalsContact C-N 3.3Å; P3094-L3096 PolarHBondContact O-N 2.84Å; L3096-V3105 HydrophobicContact CD1-CB 4.49Å; L3096-V3105 HydrophobicContact CD1-CG1 4.19Å; L3096-V3105 HydrophobicContact CD2-CB 3.79Å; L3096-V3105 HydrophobicContact CD2-CG1 4.02Å; L3096-V3105 HydrophobicContact CG-CB 4.1Å; L3096-V3105 HydrophobicContact CG-CG1 4.32Å
3097S49.8Very low65.9Low97 Ų9762.2 Ų62.268%0.67836%0.361SS*.  trans-51141.7-171.659.50000115.6N3099S3097-N3099 PolarHBondContact O-N 2.84Å
3098N49.9Very low66.3Low161 Ų16161.8 Ų61.886%0.86136%0.358SS*.SBendtrans-58.413.2179-73.7-19.2000117.6A3100N3098-A3100 PolarHBondContact O-N 2.95Å
3099N51Low66.9Low132 Ų13261.8 Ų61.871%0.70636%0.358SS*.  trans-93.390.6179.4-72.5-10.6000109.9S3097 V3101S3097-N3099 PolarHBondContact O-N 2.84Å; N3099-V3101 PolarHBondContact O-N 2.9Å
3100A52.1Low67.8Low83 Ų8357.9 Ų57.969%0.68634%0.34SS*.THydrogen-bonded Turntrans-72.116.5-163.600000117.5N3098N3098-A3100 PolarHBondContact O-N 2.95Å
3101V53.5Low68.7Low120 Ų12055 Ų5573%0.72732%0.322SS*.THydrogen-bonded Turntrans-103.1-38.8-173.5-172.50000112.6N3099N3099-V3101 PolarHBondContact O-N 2.9Å
3102E54.6Low69.3Low102 Ų10254.9 Ų54.948%0.47732%0.322SS..  trans-149.4116.2174-67.7-176.5174.600108.6K3075K3075-E3102 IonicContact NZ-OE2 3.74Å; K3075-E3102 PolarHBondContact NZ-OE2 2.96Å
3103A59.9Low70.1Confident20 Ų2056.4 Ų56.417%0.16533%0.331CS..BIsolated β-bridgetrans-86.5123.1174.200000109.5E3076 V3105E3076-A3103 PolarHBondContact N-O 3.45Å; A3103-V3105 PolarHBondContact O-N 3.33Å; A3103-V3105 VanDerWaalsContact O-N 3.16Å
3104N68.6Low71Confident83 Ų8358 Ų5844%0.44434%0.335SS..SBendtrans-72.81.7177-67.8-9.4000113.6G2911G2911-N3104 WeakPolarHBondContact CA-O 3.27Å; G2911-N3104 PolarHBondContact N-O 3.01Å
3105V77.7Confident72.1Confident32 Ų3253.3 Ų53.319%0.19430%0.304CS..EExtended strand (participates in β ladder)trans-133125-173.3-1790000107.8T2908 I2909 L3096 A3103T2908-V3105 HydrophobicContact CG2-CG1 4.2Å; I2909-V3105 WeakPolarHBondContact O-CG1 3.1Å; L3096-V3105 HydrophobicContact CD1-CB 4.49Å; L3096-V3105 HydrophobicContact CD1-CG1 4.19Å; L3096-V3105 HydrophobicContact CD2-CB 3.79Å; L3096-V3105 HydrophobicContact CD2-CG1 4.02Å; L3096-V3105 HydrophobicContact CG-CB 4.1Å; L3096-V3105 HydrophobicContact CG-CG1 4.32Å; A3103-V3105 PolarHBondContact O-N 3.33Å; A3103-V3105 VanDerWaalsContact O-N 3.16Å
3106L86.6Confident73.1Confident0 Ų049.3 Ų49.30%028%0.28CS..EExtended strand (participates in β ladder)trans-88.7155.9173-54.185.9000109.1I2909 L3030 V3057 L3074I2909-L3106 HydrophobicContact CB-CB 4.13Å; I2909-L3106 PolarHBondContact N-O 3.13Å; I2909-L3106 PolarHBondContact O-N 2.03Å; L3030-L3106 HydrophobicContact CD2-CB 3.92Å; L3030-L3106 HydrophobicContact CD2-CD2 3.88Å; V3057-L3106 HydrophobicContact CG1-CD2 3.99Å; V3057-L3106 HydrophobicContact CG2-CD2 3.69Å; L3074-L3106 HydrophobicContact CB-CD1 3.89Å; L3074-L3106 HydrophobicContact CB-CD2 4.44Å
3107S86.6Confident73.6Confident0 Ų049.2 Ų49.20%028%0.28CS..EExtended strand (participates in β ladder)trans-139.3140.4-175.151.70000112.4Y2906 V2907 F3088Y2906-S3107 WeakPolarHBondContact OH-CB 3.28Å; Y2906-S3107 PolarHBondContact OH-OG 2.95Å; V2907-S3107 WeakPolarHBondContact O-CA 3.38Å; F3088-S3107 WeakPolarHBondContact CZ-OG 3.33Å
3108V90.4Very high74.5Confident0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-132.2127.7178178.50000109.2F2851 V2907 I2909 M2944 L3030 V3034 T3110F2851-V3108 HydrophobicContact CE1-CG2 4.34Å; V2907-V3108 PolarHBondContact N-O 3.06Å; V2907-V3108 PolarHBondContact O-N 3Å; I2909-V3108 HydrophobicContact CD1-CG2 3.95Å; M2944-V3108 HydrophobicContact CE-CG1 4.37Å; M2944-V3108 HydrophobicContact SD-CG1 4.46Å; L3030-V3108 HydrophobicContact CD1-CG2 4Å; L3030-V3108 HydrophobicContact CD2-CG2 4.12Å; L3030-V3108 HydrophobicContact CG-CG2 4.2Å; V3034-V3108 HydrophobicContact CB-CG1 4.31Å; V3034-V3108 HydrophobicContact CG2-CG1 3.74Å; V3108-T3110 HydrophobicContact CG1-CG2 4.37Å
3109L91.6Very high75.3Confident0 Ų043 Ų430%024%0.241CC..EExtended strand (participates in β ladder)trans-94.1122.8174.3-174.566.9000109.8V2874 L2904 Y2906 R3032 Y3033 V3034 I3091 F3111V2874-L3109 HydrophobicContact CG2-CD1 4.06Å; L2904-L3109 HydrophobicContact CD2-CD1 4.3Å; L2904-L3109 HydrophobicContact CD2-CD2 4.19Å; L2904-L3109 HydrophobicContact CD2-CG 4.45Å; Y2906-L3109 HydrophobicContact CD2-CD1 4.31Å; R3032-L3109 PolarHBondContact O-N 3.1Å; Y3033-L3109 HydrophobicContact CD1-CB 3.99Å; Y3033-L3109 HydrophobicContact CD1-CD2 3.9Å; Y3033-L3109 HydrophobicContact CD1-CG 4.48Å; Y3033-L3109 HydrophobicContact CE1-CB 4.42Å; Y3033-L3109 HydrophobicContact CE1-CD2 3.94Å; V3034-L3109 PolarHBondContact N-O 3.29Å; I3091-L3109 HydrophobicContact CD1-CD2 4.2Å; I3091-L3109 HydrophobicContact CG2-CD1 4.31Å; I3091-L3109 HydrophobicContact CG2-CD2 4.45Å; L3109-F3111 HydrophobicContact CD2-CE2 4.2Å; L3109-F3111 HydrophobicContact CD2-CZ 3.88Å; L3109-F3111 HydrophobicContact CG-CE2 4.34Å; L3109-F3111 HydrophobicContact CG-CZ 4.4Å
3110T92.5Very high76Confident0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans-106.3127.7-178.760.10000111.6L2904 R2905 V2907 M2944 V3034 L3036 V3108L2904-T3110 WeakPolarHBondContact CA-O 3.34Å; R2905-T3110 WeakPolarHBondContact CB-OG1 3.36Å; R2905-T3110 PolarHBondContact N-O 3.38Å; R2905-T3110 PolarHBondContact O-N 3.29Å; R2905-T3110 PolarHBondContact O-OG1 3.37Å; V2907-T3110 HydrophobicContact CG2-CG2 3.93Å; M2944-T3110 HydrophobicContact CE-CG2 3.76Å; V3034-T3110 CarbonylContact O-C 3.59Å; V3034-T3110 WeakPolarHBondContact O-CA 3.45Å; L3036-T3110 HydrophobicContact CD1-CG2 3.93Å; V3108-T3110 HydrophobicContact CG1-CG2 4.37Å
3111F93.8Very high76.7Confident1 Ų139.7 Ų39.70%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-98.4119.4172.3-61.9-91000108.7F2895 L2896 F2899 L2904 Y3033 V3034 L3035 L3036 A3044 L3048 L3109F2895-F3111 HydrophobicContact CE1-CD1 4.08Å; F2895-F3111 HydrophobicContact CE1-CD2 4.15Å; F2895-F3111 HydrophobicContact CE1-CE1 4.05Å; F2895-F3111 HydrophobicContact CE1-CE2 4.14Å; F2895-F3111 HydrophobicContact CE1-CG 4.13Å; F2895-F3111 HydrophobicContact CE1-CZ 4.09Å; F2895-F3111 HydrophobicContact CZ-CB 4.37Å; F2895-F3111 HydrophobicContact CZ-CD1 4.28Å; F2895-F3111 HydrophobicContact CZ-CD2 4.22Å; F2895-F3111 HydrophobicContact CZ-CG 4.03Å; L2896-F3111 HydrophobicContact CD2-CE1 3.51Å; L2896-F3111 HydrophobicContact CD2-CZ 3.69Å; F2899-F3111 HydrophobicContact CD1-CB 4.45Å; F2899-F3111 HydrophobicContact CD2-CD1 4.07Å; F2899-F3111 HydrophobicContact CE1-CB 4.26Å; F2899-F3111 HydrophobicContact CG-CD1 4.21Å; F2899-F3111 HydrophobicContact CZ-CB 4.31Å; L2904-F3111 HydrophobicContact CD1-CD1 4.04Å; L2904-F3111 HydrophobicContact CD1-CE1 4.3Å; L2904-F3111 HydrophobicContact CD2-CD1 4.01Å; L2904-F3111 HydrophobicContact CD2-CE1 3.58Å; L2904-F3111 HydrophobicContact CD2-CZ 4.26Å; L2904-F3111 HydrophobicContact CG-CD1 3.77Å; L2904-F3111 HydrophobicContact CG-CE1 3.9Å; Y3033-F3111 HydrophobicContact CD1-CE2 4.22Å; V3034-F3111 PolarHBondContact O-N 2.8Å; L3035-F3111 HydrophobicContact CD1-CB 3.74Å; L3035-F3111 WeakPolarHBondContact CD1-O 3.35Å; L3036-F3111 PolarHBondContact N-O 3.43Å; A3044-F3111 HydrophobicContact CB-CE2 4.49Å; L3048-F3111 HydrophobicContact CD1-CZ 4.31Å; L3109-F3111 HydrophobicContact CD2-CE2 4.2Å; L3109-F3111 HydrophobicContact CD2-CZ 3.88Å; L3109-F3111 HydrophobicContact CG-CE2 4.34Å; L3109-F3111 HydrophobicContact CG-CZ 4.4Å
3112N91.4Very high77.3Confident1 Ų137 Ų371%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-106.3126.3-174.6-57.1-62.9000111.5P2846 D2903 L3036P2846-N3112 WeakPolarHBondContact CD-OD1 3.45Å; D2903-N3112 VanDerWaalsContact O-CB 3.23Å; D2903-N3112 WeakPolarHBondContact O-CB 3.46Å; D2903-N3112 PolarHBondContact O-N 3.37Å; D2903-N3112 PolarHBondContact O-ND2 3.2Å; L3036-N3112 WeakPolarHBondContact CB-OD1 3.3Å; L3036-N3112 WeakPolarHBondContact CD2-OD1 3.18Å
3113E88.4Confident77.9Confident79 Ų7935 Ų3537%0.36918%0.18SC..  trans-74.5135.1174.4-169.9175.3-161.500110.9L3036 K3037 K3038L3036-E3113 PolarHBondContact O-N 3.34Å; L3036-E3113 VanDerWaalsContact O-N 3.1Å; K3037-E3113 VanDerWaalsContact CA-OE2 3.27Å; K3037-E3113 WeakPolarHBondContact CA-OE2 3.39Å; K3037-E3113 WeakPolarHBondContact CB-OE2 3.27Å; K3038-E3113 PolarHBondContact N-OE2 2.9Å; K3038-E3113 VanDerWaalsContact N-OE2 3.1Å
3114R86.1Confident78.3Confident73 Ų7336.6 Ų36.628%0.27518%0.183SC..  trans-70.3148.3175.7-61.8-173.6-179.5-174.4-0.8111.5F2841 D2842 E2900 D2903F2841-R3114 HydrophobicContact CB-CB 3.98Å; D2842-R3114 CarbonylContact O-C 3.57Å; D2842-R3114 VanDerWaalsContact O-CA 3.29Å; D2842-R3114 WeakPolarHBondContact O-CA 3.44Å; D2842-R3114 WeakPolarHBondContact O-CB 3.38Å; E2900-R3114 IonicContact OE1-CZ 2.72Å; E2900-R3114 IonicContact OE1-NH1 3.79Å; E2900-R3114 IonicContact OE1-NH2 3.01Å; E2900-R3114 IonicContact OE2-CZ 3.19Å; E2900-R3114 IonicContact OE2-NH1 2.67Å; E2900-R3114 IonicContact OE2-NH2 2.95Å; E2900-R3114 PolarHBondContact OE2-NH2 3.5Å; D2903-R3114 WeakPolarHBondContact OD1-CG 3.46Å; D2903-R3114 IonicContact OD1-CZ 3.46Å; D2903-R3114 IonicContact OD1-NE 3.79Å; D2903-R3114 PolarHBondContact OD1-NE 3.41Å; D2903-R3114 IonicContact OD1-NH2 3.77Å; D2903-R3114 PolarHBondContact OD1-NH2 2.82Å; D2903-R3114 IonicContact OD2-CZ 3.49Å; D2903-R3114 IonicContact OD2-NE 3.82Å; D2903-R3114 PolarHBondContact OD2-NE 3.2Å; D2903-R3114 VanDerWaalsContact OD2-NE 3.13Å; D2903-R3114 IonicContact OD2-NH2 3.22Å; D2903-R3114 PolarHBondContact OD2-NH2 2.93Å
3115V80Confident78.1Confident9 Ų937.3 Ų37.36%0.05519%0.187CC..EExtended strand (participates in β ladder)trans-128.5138.8-178.1-176.30000109.7D2842 N2844 Q2954 K3038D2842-V3115 PolarHBondContact N-O 3.05Å; D2842-V3115 PolarHBondContact O-N 3.06Å; N2844-V3115 HydrophobicContact CB-CG2 4.22Å; Q2954-V3115 HydrophobicContact CG-CG1 4.2Å; K3038-V3115 HydrophobicContact CG-CG2 4.36Å
3116S74.9Confident77.6Confident12 Ų1241.5 Ų41.58%0.08421%0.208CC..EExtended strand (participates in β ladder)trans-92.7132.4174.3-174.70000111.5T2840 S3118T2840-S3116 WeakPolarHBondContact O-CA 3.42Å; T2840-S3116 PolarHBondContact O-OG 2.83Å; T2840-S3116 VanDerWaalsContact O-OG 3.1Å; T2840-S3116 PolarHBondContact OG1-OG 3.27Å; T2840-S3116 VanDerWaalsContact OG1-OG 3.09Å; S3116-S3118 VanDerWaalsContact C-N 3.34Å; S3116-S3118 PolarHBondContact OG-N 2.75Å; S3116-S3118 PolarHBondContact OG-OG 2.06Å
3117D67.2Low76.6Confident29 Ų2949.2 Ų49.216%0.15524%0.239CC..  trans-90.51.1171.9-67.8-20.1000112.2K2951 I2953 Q2954K2951-D3117 WeakPolarHBondContact CD-OD2 3.3Å; K2951-D3117 IonicContact NZ-OD2 2.82Å; I2953-D3117 HydrophobicContact CB-CB 4.36Å; I2953-D3117 HydrophobicContact CD1-CB 4.21Å; I2953-D3117 VanDerWaalsContact CD1-O 3.27Å; I2953-D3117 WeakPolarHBondContact CD1-O 3.44Å; I2953-D3117 WeakPolarHBondContact CG2-O 3.38Å; Q2954-D3117 PolarHBondContact NE2-OD1 2.88Å
3118S68.3Low76Confident29 Ų2951.6 Ų51.620%0.20326%0.263CS..SBendtrans-83.5150.1-178.476.50000112.8T2840 S3116 F3120 G3121 K3122T2840-S3118 PolarHBondContact OG1-OG 3.47Å; S3116-S3118 VanDerWaalsContact C-N 3.34Å; S3116-S3118 PolarHBondContact OG-N 2.75Å; S3116-S3118 PolarHBondContact OG-OG 2.06Å; S3118-F3120 PolarHBondContact O-N 2.78Å; S3118-G3121 PolarHBondContact O-N 2.83Å; S3118-G3121 PolarHBondContact OG-N 3.3Å; S3118-K3122 PolarHBondContact O-N 3.17Å; S3118-K3122 VanDerWaalsContact O-N 3.12Å
3119L66.2Low75.3Confident97 Ų9755.1 Ų55.151%0.50828%0.281SS..Hα-helixtrans-58.5-40.2172.9-78.1173.8000111.4K2636 K3122 V3123K2636-L3119 HydrophobicContact CD-CD1 4.24Å; K2636-L3119 HydrophobicContact CD-CG 4.42Å; K2636-L3119 HydrophobicContact CG-CD1 4.33Å; L3119-K3122 PolarHBondContact O-N 3.37Å; L3119-V3123 WeakPolarHBondContact O-CG2 3.35Å; L3119-V3123 PolarHBondContact O-N 3.38Å
3120F66.8Low74.9Confident141 Ų14161 Ų6162%0.61831%0.311SS*.Hα-helixtrans-60.3-49.9175.4-67.8-63.2000110.5S3118 K3122 V3123 F3124S3118-F3120 PolarHBondContact O-N 2.78Å; F3120-K3122 VanDerWaalsContact C-N 3.28Å; F3120-K3122 PolarHBondContact O-N 3.06Å; F3120-V3123 PolarHBondContact O-N 3.17Å; F3120-V3123 VanDerWaalsContact O-N 3.14Å; F3120-F3124 VanDerWaalsContact C-CD2 3.48Å; F3120-F3124 HydrophobicContact CB-CD2 3.87Å; F3120-F3124 HydrophobicContact CB-CE2 3.75Å; F3120-F3124 AromaticContact CD1-CE2 3.7Å; F3120-F3124 HydrophobicContact CD1-CE2 3.7Å; F3120-F3124 HydrophobicContact CD1-CZ 4.4Å; F3120-F3124 HydrophobicContact CG-CE2 4.15Å; F3120-F3124 WeakPolarHBondContact O-CB 3.36Å; F3120-F3124 WeakPolarHBondContact O-CD2 3.48Å; F3120-F3124 WeakPolarHBondContact O-CG 3.47Å; F3120-F3124 PolarHBondContact O-N 2.83Å
3121G66.3Low74.5Confident5 Ų563.1 Ų63.15%0.05233%0.333CS..Hα-helixtrans-53.7-42.317700000113.1S3118 N3125S3118-G3121 PolarHBondContact O-N 2.83Å; S3118-G3121 PolarHBondContact OG-N 3.3Å; G3121-N3125 WeakPolarHBondContact O-CB 3.18Å; G3121-N3125 PolarHBondContact O-N 3.24Å
3122K65.3Low73.8Confident64 Ų6467.7 Ų67.728%0.27836%0.355SS..Hα-helixtrans-64.4-49.3174.9-74.1-172.3174.3-175.90113.6I2953 S3118 L3119 F3120 F3124 N3125 N3126I2953-K3122 HydrophobicContact CG2-CD 4.41Å; I2953-K3122 VanDerWaalsContact CG2-CE 3.48Å; I2953-K3122 WeakPolarHBondContact O-CE 3.4Å; I2953-K3122 PolarHBondContact O-NZ 3.36Å; S3118-K3122 PolarHBondContact O-N 3.17Å; S3118-K3122 VanDerWaalsContact O-N 3.12Å; L3119-K3122 PolarHBondContact O-N 3.37Å; F3120-K3122 VanDerWaalsContact C-N 3.28Å; F3120-K3122 PolarHBondContact O-N 3.06Å; K3122-F3124 VanDerWaalsContact C-N 3.34Å; K3122-N3125 PolarHBondContact O-N 2.83Å; K3122-N3126 PolarHBondContact O-N 2.74Å
3123V67.5Low73.5Confident61 Ų6171 Ų7137%0.3737%0.368SS..Hα-helixtrans-64.6-43.6-176.9173.60000109.9L3119 F3120 N3126 Y3127L3119-V3123 WeakPolarHBondContact O-CG2 3.35Å; L3119-V3123 PolarHBondContact O-N 3.38Å; F3120-V3123 PolarHBondContact O-N 3.17Å; F3120-V3123 VanDerWaalsContact O-N 3.14Å; V3123-N3126 PolarHBondContact O-N 2.8Å; V3123-Y3127 HydrophobicContact CG1-CD2 4.31Å; V3123-Y3127 WeakPolarHBondContact O-CA 3.14Å; V3123-Y3127 WeakPolarHBondContact O-CB 3.44Å; V3123-Y3127 PolarHBondContact O-N 2.9Å
3124F67.9Low73.5Confident52 Ų5269.8 Ų69.823%0.22837%0.372CS..Hα-helixtrans-75.5-26.5-178.4-66.2-59.8000113.9I2837 F3120 K3122 Y3127 I3129I2837-F3124 HydrophobicContact CD1-CD2 3.31Å; I2837-F3124 HydrophobicContact CD1-CE2 3.35Å; I2837-F3124 HydrophobicContact CD1-CG 4.09Å; I2837-F3124 HydrophobicContact CD1-CZ 4.14Å; I2837-F3124 HydrophobicContact CG1-CD2 4.36Å; I2837-F3124 HydrophobicContact CG1-CE2 4.37Å; F3120-F3124 VanDerWaalsContact C-CD2 3.48Å; F3120-F3124 HydrophobicContact CB-CD2 3.87Å; F3120-F3124 HydrophobicContact CB-CE2 3.75Å; F3120-F3124 AromaticContact CD1-CE2 3.7Å; F3120-F3124 HydrophobicContact CD1-CE2 3.7Å; F3120-F3124 HydrophobicContact CD1-CZ 4.4Å; F3120-F3124 HydrophobicContact CG-CE2 4.15Å; F3120-F3124 WeakPolarHBondContact O-CB 3.36Å; F3120-F3124 WeakPolarHBondContact O-CD2 3.48Å; F3120-F3124 WeakPolarHBondContact O-CG 3.47Å; F3120-F3124 PolarHBondContact O-N 2.83Å; K3122-F3124 VanDerWaalsContact C-N 3.34Å; F3124-Y3127 CarbonylContact C-O 3.59Å; F3124-Y3127 VanDerWaalsContact O-O 3.06Å; F3124-I3129 HydrophobicContact CB-CD1 4.13Å; F3124-I3129 HydrophobicContact CD1-CB 4.06Å; F3124-I3129 HydrophobicContact CD1-CD1 3.58Å; F3124-I3129 HydrophobicContact CD1-CG1 3.48Å; F3124-I3129 VanDerWaalsContact CD1-CG1 3.48Å; F3124-I3129 HydrophobicContact CD2-CD1 4.46Å; F3124-I3129 HydrophobicContact CE1-CD1 4.03Å; F3124-I3129 HydrophobicContact CE1-CG1 3.74Å; F3124-I3129 HydrophobicContact CG-CD1 3.82Å; F3124-I3129 HydrophobicContact CG-CG1 4.25Å
3125N64.8Low73.6Confident99 Ų9969.1 Ų69.153%0.52938%0.381SS..Hα-helixtrans-75.7-26.3174.2-165.364.8000112.4G3121 K3122G3121-N3125 WeakPolarHBondContact O-CB 3.18Å; G3121-N3125 PolarHBondContact O-N 3.24Å; K3122-N3125 PolarHBondContact O-N 2.83Å
3126N66.4Low74Confident119 Ų11973.1 Ų73.164%0.63640%0.396SS*.Hα-helixtrans-97.8-33.9179.7-69.36.7000113.1K3122 V3123K3122-N3126 PolarHBondContact O-N 2.74Å; V3123-N3126 PolarHBondContact O-N 2.8Å
3127Y67.1Low74.7Confident163 Ų16374.7 Ų74.764%0.63940%0.403SS*.SBendtrans-115.1127.9179.5-64.8-81.9000110V3123 F3124 I3129V3123-Y3127 HydrophobicContact CG1-CD2 4.31Å; V3123-Y3127 WeakPolarHBondContact O-CA 3.14Å; V3123-Y3127 WeakPolarHBondContact O-CB 3.44Å; V3123-Y3127 PolarHBondContact O-N 2.9Å; F3124-Y3127 CarbonylContact C-O 3.59Å; F3124-Y3127 VanDerWaalsContact O-O 3.06Å; Y3127-I3129 PolarHBondContact O-N 3.08Å; Y3127-I3129 VanDerWaalsContact O-N 3.17Å
3128G73.2Confident75.8Confident50 Ų5080 Ų8052%0.51543%0.425SS..  trans-54.8121.5-177.400000112.3I3130 G3131 M3132G3128-I3130 PolarHBondContact O-N 2.99Å; G3128-I3130 VanDerWaalsContact O-N 3.14Å; G3128-G3131 PolarHBondContact O-N 3.08Å; G3128-M3132 PolarHBondContact O-N 3.26Å
3129I76.3Confident76.9Confident74 Ų7483.3 Ų83.338%0.37944%0.44SS..Hα-helixtrans-55.5-34.4-178.2-154.6148.2000112.4T2834 I2837 F3124 Y3127 Y3133T2834-I3129 HydrophobicContact CG2-CD1 3.47Å; T2834-I3129 VanDerWaalsContact CG2-CD1 3.47Å; T2834-I3129 HydrophobicContact CG2-CG1 3.69Å; I2837-I3129 HydrophobicContact CD1-CD1 4.08Å; F3124-I3129 HydrophobicContact CB-CD1 4.13Å; F3124-I3129 HydrophobicContact CD1-CB 4.06Å; F3124-I3129 HydrophobicContact CD1-CD1 3.58Å; F3124-I3129 HydrophobicContact CD1-CG1 3.48Å; F3124-I3129 VanDerWaalsContact CD1-CG1 3.48Å; F3124-I3129 HydrophobicContact CD2-CD1 4.46Å; F3124-I3129 HydrophobicContact CE1-CD1 4.03Å; F3124-I3129 HydrophobicContact CE1-CG1 3.74Å; F3124-I3129 HydrophobicContact CG-CD1 3.82Å; F3124-I3129 HydrophobicContact CG-CG1 4.25Å; Y3127-I3129 PolarHBondContact O-N 3.08Å; Y3127-I3129 VanDerWaalsContact O-N 3.17Å; I3129-Y3133 WeakPolarHBondContact O-CB 3.5Å; I3129-Y3133 PolarHBondContact O-N 3.12Å
3130I82.4Confident77.9Confident124 Ų12479.3 Ų79.364%0.63642%0.421SS*.Hα-helixtrans-66.1-37.6177-171.660.2000112.5G3128 Y3133 A3134G3128-I3130 PolarHBondContact O-N 2.99Å; G3128-I3130 VanDerWaalsContact O-N 3.14Å; I3130-Y3133 HydrophobicContact CD1-CD1 4.43Å; I3130-Y3133 PolarHBondContact O-N 3.45Å; I3130-A3134 WeakPolarHBondContact O-CB 3.18Å; I3130-A3134 PolarHBondContact O-N 2.89Å
3131G84.6Confident78.9Confident43 Ų4375.3 Ų75.344%0.44341%0.411SS..Hα-helixtrans-69.5-43.7178.300000111.6G3128 Y3133 A3134 A3135G3128-G3131 PolarHBondContact O-N 3.08Å; G3131-Y3133 VanDerWaalsContact C-N 3.34Å; G3131-Y3133 PolarHBondContact O-N 3Å; G3131-A3134 PolarHBondContact O-N 3.06Å; G3131-A3135 WeakPolarHBondContact O-CB 3.32Å; G3131-A3135 PolarHBondContact O-N 2.82Å
3132M79.7Confident80Confident97 Ų9782.8 Ų82.848%0.47844%0.438SS..Hα-helixtrans-61.1-42.4172.8-75.8-67.9-70.400111.8G3128 A3135 Y3136G3128-M3132 PolarHBondContact O-N 3.26Å; M3132-A3135 PolarHBondContact O-N 3.41Å; M3132-Y3136 WeakPolarHBondContact O-CB 3.43Å; M3132-Y3136 PolarHBondContact O-N 3.47Å
3133Y85.3Confident81Confident71 Ų7185 Ų8528%0.27845%0.452SS..Hα-helixtrans-64.2-45.9176.4-179.8-115.7000112.5F2827 P2830 I3129 I3130 G3131 A3135 Y3136 I3137F2827-Y3133 PolarHBondContact O-OH 2.86Å; P2830-Y3133 HydrophobicContact CB-CD2 3.94Å; P2830-Y3133 HydrophobicContact CB-CE2 4.12Å; P2830-Y3133 HydrophobicContact CG-CE2 4.45Å; I3129-Y3133 WeakPolarHBondContact O-CB 3.5Å; I3129-Y3133 PolarHBondContact O-N 3.12Å; I3130-Y3133 HydrophobicContact CD1-CD1 4.43Å; I3130-Y3133 PolarHBondContact O-N 3.45Å; G3131-Y3133 VanDerWaalsContact C-N 3.34Å; G3131-Y3133 PolarHBondContact O-N 3Å; Y3133-A3135 PolarHBondContact O-N 2.82Å; Y3133-Y3136 WeakPolarHBondContact O-CB 3.32Å; Y3133-Y3136 PolarHBondContact O-N 3.03Å; Y3133-I3137 HydrophobicContact CD1-CD1 3.7Å; Y3133-I3137 HydrophobicContact CD2-CD1 4.24Å; Y3133-I3137 HydrophobicContact CD2-CG1 4.46Å; Y3133-I3137 HydrophobicContact CE1-CD1 3.18Å; Y3133-I3137 HydrophobicContact CE1-CG1 4.31Å; Y3133-I3137 HydrophobicContact CE2-CD1 3.78Å; Y3133-I3137 HydrophobicContact CE2-CG1 4.08Å; Y3133-I3137 HydrophobicContact CG-CD1 4.22Å; Y3133-I3137 PolarHBondContact O-N 2.83Å
3134A87.5Confident81.9Confident54 Ų5484 Ų8445%0.44644%0.444SS..Hα-helixtrans-61.7-43.1176.800000111.8I3130 G3131 Y3136 I3137 F3138I3130-A3134 WeakPolarHBondContact O-CB 3.18Å; I3130-A3134 PolarHBondContact O-N 2.89Å; G3131-A3134 PolarHBondContact O-N 3.06Å; A3134-Y3136 VanDerWaalsContact C-N 3.34Å; A3134-Y3136 PolarHBondContact O-N 2.93Å; A3134-I3137 PolarHBondContact O-N 2.84Å; A3134-F3138 VanDerWaalsContact O-CB 3.32Å; A3134-F3138 WeakPolarHBondContact O-CB 3.33Å; A3134-F3138 PolarHBondContact O-N 3.37Å
3135A88.5Confident82.8Confident58 Ų5890.7 Ų90.748%0.47947%0.468SS..Hα-helixtrans-61.7-41.8175.200000111.9G3131 M3132 Y3133 F3138 L3139G3131-A3135 WeakPolarHBondContact O-CB 3.32Å; G3131-A3135 PolarHBondContact O-N 2.82Å; M3132-A3135 PolarHBondContact O-N 3.41Å; Y3133-A3135 PolarHBondContact O-N 2.82Å; A3135-F3138 PolarHBondContact O-N 2.75Å; A3135-L3139 WeakPolarHBondContact O-CB 3.42Å; A3135-L3139 PolarHBondContact O-N 3Å
3136Y88.1Confident83.8Confident93 Ų9390.5 Ų90.537%0.36547%0.471SS..Hα-helixtrans-62.1-49.5175.5171.4-86.2000112.1C2826 P2830 M3132 Y3133 A3134 F3138 L3139 A3140C2826-Y3136 WeakPolarHBondContact O-CE1 3.15Å; C2826-Y3136 PolarHBondContact O-OH 2.83Å; P2830-Y3136 HydrophobicContact CG-CD1 3.64Å; P2830-Y3136 HydrophobicContact CG-CE1 3.44Å; P2830-Y3136 VanDerWaalsContact CG-CE1 3.44Å; P2830-Y3136 HydrophobicContact CG-CE2 4.32Å; P2830-Y3136 HydrophobicContact CG-CG 4.22Å; M3132-Y3136 WeakPolarHBondContact O-CB 3.43Å; M3132-Y3136 PolarHBondContact O-N 3.47Å; Y3133-Y3136 WeakPolarHBondContact O-CB 3.32Å; Y3133-Y3136 PolarHBondContact O-N 3.03Å; A3134-Y3136 VanDerWaalsContact C-N 3.34Å; A3134-Y3136 PolarHBondContact O-N 2.93Å; Y3136-F3138 VanDerWaalsContact C-N 3.31Å; Y3136-F3138 PolarHBondContact O-N 3.46Å; Y3136-L3139 PolarHBondContact O-N 2.8Å; Y3136-A3140 HydrophobicContact CE1-CB 4.46Å; Y3136-A3140 WeakPolarHBondContact O-CB 3.24Å; Y3136-A3140 PolarHBondContact O-N 2.87Å
3137I89.2Confident84.6Confident46 Ų4688 Ų8824%0.23647%0.466CS..Hα-helixtrans-61.4-43.3178.3-68.8164.9000110.4F2827 Y3133 A3134 L3139 A3140 S3141F2827-I3137 HydrophobicContact CE1-CG2 4.28Å; Y3133-I3137 HydrophobicContact CD1-CD1 3.7Å; Y3133-I3137 HydrophobicContact CD2-CD1 4.24Å; Y3133-I3137 HydrophobicContact CD2-CG1 4.46Å; Y3133-I3137 HydrophobicContact CE1-CD1 3.18Å; Y3133-I3137 HydrophobicContact CE1-CG1 4.31Å; Y3133-I3137 HydrophobicContact CE2-CD1 3.78Å; Y3133-I3137 HydrophobicContact CE2-CG1 4.08Å; Y3133-I3137 HydrophobicContact CG-CD1 4.22Å; Y3133-I3137 PolarHBondContact O-N 2.83Å; A3134-I3137 PolarHBondContact O-N 2.84Å; I3137-L3139 VanDerWaalsContact C-N 3.34Å; I3137-L3139 PolarHBondContact O-N 3Å; I3137-A3140 PolarHBondContact O-N 2.8Å; I3137-S3141 WeakPolarHBondContact O-CB 3.48Å; I3137-S3141 PolarHBondContact O-N 2.8Å; I3137-S3141 PolarHBondContact O-OG 2.65Å
3138F90.8Very high85.4Confident139 Ų13986.5 Ų86.561%0.6146%0.46SS*.Hα-helixtrans-59.2-46.8177.8-177.6-98.5000111.1A3134 A3135 Y3136 S3141 R3142A3134-F3138 VanDerWaalsContact O-CB 3.32Å; A3134-F3138 WeakPolarHBondContact O-CB 3.33Å; A3134-F3138 PolarHBondContact O-N 3.37Å; A3135-F3138 PolarHBondContact O-N 2.75Å; Y3136-F3138 VanDerWaalsContact C-N 3.31Å; Y3136-F3138 PolarHBondContact O-N 3.46Å; F3138-S3141 PolarHBondContact O-N 3.22Å; F3138-S3141 PolarHBondContact O-OG 3.29Å; F3138-R3142 WeakPolarHBondContact O-CB 3.44Å; F3138-R3142 PolarHBondContact O-N 2.87Å
3139L91.1Very high85.7Confident99 Ų9986.6 Ų86.652%0.51845%0.453SS..Hα-helixtrans-60.5-48.8175.6-17964.4000112A3135 Y3136 I3137 S3141 R3142 L3143A3135-L3139 WeakPolarHBondContact O-CB 3.42Å; A3135-L3139 PolarHBondContact O-N 3Å; Y3136-L3139 PolarHBondContact O-N 2.8Å; I3137-L3139 VanDerWaalsContact C-N 3.34Å; I3137-L3139 PolarHBondContact O-N 3Å; L3139-S3141 PolarHBondContact O-N 2.85Å; L3139-R3142 PolarHBondContact O-N 3.28Å; L3139-L3143 HydrophobicContact CD1-CD1 4.48Å; L3139-L3143 HydrophobicContact CD1-CG 4.43Å; L3139-L3143 HydrophobicContact CG-CD1 4.22Å; L3139-L3143 WeakPolarHBondContact O-CG 3.19Å; L3139-L3143 PolarHBondContact O-N 3.36Å
3140A87.2Confident85.9Confident14 Ų1487.8 Ų87.812%0.11646%0.46CS..Hα-helixtrans-59.5-44.2178.200000111.8Y3136 I3137 R3142 L3143 L3144Y3136-A3140 HydrophobicContact CE1-CB 4.46Å; Y3136-A3140 WeakPolarHBondContact O-CB 3.24Å; Y3136-A3140 PolarHBondContact O-N 2.87Å; I3137-A3140 PolarHBondContact O-N 2.8Å; A3140-R3142 VanDerWaalsContact C-N 3.33Å; A3140-R3142 PolarHBondContact O-N 3.2Å; A3140-L3143 PolarHBondContact O-N 3.09Å; A3140-L3144 WeakPolarHBondContact O-CB 3.35Å; A3140-L3144 VanDerWaalsContact O-CG 3.26Å; A3140-L3144 WeakPolarHBondContact O-CG 3.48Å; A3140-L3144 PolarHBondContact O-N 2.65Å
3141S87.9Confident86.1Confident56 Ų5685.8 Ų85.839%0.39245%0.45SS..Hα-helixtrans-62.7-39.8176.778.30000112.2I3137 F3138 L3139 L3144 R3145I3137-S3141 WeakPolarHBondContact O-CB 3.48Å; I3137-S3141 PolarHBondContact O-N 2.8Å; I3137-S3141 PolarHBondContact O-OG 2.65Å; F3138-S3141 PolarHBondContact O-N 3.22Å; F3138-S3141 PolarHBondContact O-OG 3.29Å; L3139-S3141 PolarHBondContact O-N 2.85Å; S3141-L3144 PolarHBondContact O-N 3.01Å; S3141-R3145 WeakPolarHBondContact O-CB 3.39Å; S3141-R3145 PolarHBondContact O-N 3.35Å
3142R89.4Confident86.3Confident163 Ų16387.6 Ų87.662%0.61546%0.455SS*.Hα-helixtrans-67.1-43.7177.5-178.1175.9174.8156.2-1.4111.4F3138 L3139 A3140 R3145 T3146F3138-R3142 WeakPolarHBondContact O-CB 3.44Å; F3138-R3142 PolarHBondContact O-N 2.87Å; L3139-R3142 PolarHBondContact O-N 3.28Å; A3140-R3142 VanDerWaalsContact C-N 3.33Å; A3140-R3142 PolarHBondContact O-N 3.2Å; R3142-R3145 PolarHBondContact O-N 2.89Å; R3142-T3146 WeakPolarHBondContact O-CB 3.47Å; R3142-T3146 PolarHBondContact O-N 2.77Å; R3142-T3146 PolarHBondContact O-OG1 3.34Å
3143L87.2Confident86.7Confident111 Ų11191.8 Ų91.858%0.58147%0.467SS*.Hα-helixtrans-61.4-45.6176.3-71174.3000111.1L3139 A3140 T3146 A3147L3139-L3143 HydrophobicContact CD1-CD1 4.48Å; L3139-L3143 HydrophobicContact CD1-CG 4.43Å; L3139-L3143 HydrophobicContact CG-CD1 4.22Å; L3139-L3143 WeakPolarHBondContact O-CG 3.19Å; L3139-L3143 PolarHBondContact O-N 3.36Å; A3140-L3143 PolarHBondContact O-N 3.09Å; L3143-T3146 PolarHBondContact O-N 2.78Å; L3143-A3147 PolarHBondContact O-N 3.01Å; L3143-A3147 VanDerWaalsContact O-N 3.08Å
3144L85.7Confident86.8Confident39 Ų3990.9 Ų90.920%0.20447%0.469CS..Hα-helixtrans-63.1-44.4177.1-73.2170.3000112.6F2822 F2823 A3140 S3141 T3146 A3147 Y3148F2822-L3144 HydrophobicContact CE1-CD2 4.08Å; F2823-L3144 HydrophobicContact CD1-CD1 3.75Å; F2823-L3144 HydrophobicContact CD1-CD2 4.49Å; F2823-L3144 HydrophobicContact CE1-CD1 3.37Å; F2823-L3144 HydrophobicContact CE1-CD2 3.55Å; F2823-L3144 HydrophobicContact CE1-CG 4.03Å; F2823-L3144 HydrophobicContact CZ-CD1 4.48Å; F2823-L3144 HydrophobicContact CZ-CD2 4.31Å; A3140-L3144 WeakPolarHBondContact O-CB 3.35Å; A3140-L3144 VanDerWaalsContact O-CG 3.26Å; A3140-L3144 WeakPolarHBondContact O-CG 3.48Å; A3140-L3144 PolarHBondContact O-N 2.65Å; S3141-L3144 PolarHBondContact O-N 3.01Å; L3144-T3146 VanDerWaalsContact C-N 3.27Å; L3144-T3146 PolarHBondContact O-N 3.49Å; L3144-A3147 PolarHBondContact O-N 3.4Å; L3144-Y3148 WeakPolarHBondContact O-CD2 3.39Å; L3144-Y3148 PolarHBondContact O-N 3.35Å
3145R86.9Confident87Confident192 Ų19292.4 Ų92.473%0.72547%0.469SS*.Hα-helixtrans-62.6-37174.9-172.8168.5-179.7151.7-1.3111.4S3141 R3142 A3147 Y3148 S3149S3141-R3145 WeakPolarHBondContact O-CB 3.39Å; S3141-R3145 PolarHBondContact O-N 3.35Å; R3142-R3145 PolarHBondContact O-N 2.89Å; R3145-A3147 VanDerWaalsContact C-N 3.32Å; R3145-A3147 PolarHBondContact O-N 2.68Å; R3145-Y3148 PolarHBondContact O-N 2.7Å; R3145-S3149 WeakPolarHBondContact O-CA 3.39Å; R3145-S3149 WeakPolarHBondContact O-CB 3.39Å; R3145-S3149 PolarHBondContact O-N 3.39Å
3146T85.7Confident87Confident96 Ų9697.4 Ų97.459%0.58948%0.475SS*.Hα-helixtrans-67-33.2178.2-53.40000112R3142 L3143 L3144R3142-T3146 WeakPolarHBondContact O-CB 3.47Å; R3142-T3146 PolarHBondContact O-N 2.77Å; R3142-T3146 PolarHBondContact O-OG1 3.34Å; L3143-T3146 PolarHBondContact O-N 2.78Å; L3144-T3146 VanDerWaalsContact C-N 3.27Å; L3144-T3146 PolarHBondContact O-N 3.49Å
3147A83.6Confident87.1Confident65 Ų6596.2 Ų96.254%0.53748%0.475SS..Hα-helixtrans-70.6-31.4177.800000113.8L3143 L3144 R3145L3143-A3147 PolarHBondContact O-N 3.01Å; L3143-A3147 VanDerWaalsContact O-N 3.08Å; L3144-A3147 PolarHBondContact O-N 3.4Å; R3145-A3147 VanDerWaalsContact C-N 3.32Å; R3145-A3147 PolarHBondContact O-N 2.68Å
3148Y83.9Confident87.1Confident133 Ų13398.9 Ų98.952%0.52249%0.487SS..Hα-helixtrans-107.2-23.3-176.4-64.7-67.5000114.4L2819 L3144 R3145 I3151L2819-Y3148 WeakPolarHBondContact CD1-OH 3.21Å; L3144-Y3148 WeakPolarHBondContact O-CD2 3.39Å; L3144-Y3148 PolarHBondContact O-N 3.35Å; R3145-Y3148 PolarHBondContact O-N 2.7Å; Y3148-I3151 HydrophobicContact CD1-CD1 4.23Å
3149S79.2Confident87.1Confident52 Ų5298 Ų9836%0.36448%0.484SS..THydrogen-bonded Turntrans-71.4143.8173.4-1680000109.3R3145 I3151R3145-S3149 WeakPolarHBondContact O-CA 3.39Å; R3145-S3149 WeakPolarHBondContact O-CB 3.39Å; R3145-S3149 PolarHBondContact O-N 3.39Å; S3149-I3151 PolarHBondContact O-N 3.19Å
3150N80.6Confident87.2Confident98 Ų9893.6 Ų93.652%0.52446%0.461SS..THydrogen-bonded Turntrans76.72.9175.7-48.6-25.2000117.2S3152 Y3153N3150-S3152 PolarHBondContact O-N 3.38Å; N3150-Y3153 HydrophobicContact CB-CD2 3.96Å; N3150-Y3153 PolarHBondContact O-N 3.4Å
3151I87Confident87.3Confident82 Ų8295.6 Ų95.642%0.42147%0.473SS..Hα-helixtrans-55.1-37.4173.1-63.5171.1000110.5Y3148 S3149 Y3153 V3154 I3155Y3148-I3151 HydrophobicContact CD1-CD1 4.23Å; S3149-I3151 PolarHBondContact O-N 3.19Å; I3151-Y3153 VanDerWaalsContact C-N 3.29Å; I3151-Y3153 PolarHBondContact O-N 2.96Å; I3151-V3154 PolarHBondContact O-N 2.58Å; I3151-I3155 WeakPolarHBondContact O-CG1 3.49Å; I3151-I3155 PolarHBondContact O-N 2.63Å
3152S88.4Confident87.6Confident81 Ų8194.8 Ų94.857%0.56646%0.463SS*.Hα-helixtrans-56-36.6-179.7560000114.5N3150 V3154N3150-S3152 PolarHBondContact O-N 3.38Å; S3152-V3154 VanDerWaalsContact C-N 3.34Å
3153Y87Confident87.8Confident185 Ų18587.1 Ų87.173%0.72543%0.434SS*.Hα-helixtrans-72.7-29.2-180-62.7-70000112.4N3150 I3151N3150-Y3153 HydrophobicContact CB-CD2 3.96Å; N3150-Y3153 PolarHBondContact O-N 3.4Å; I3151-Y3153 VanDerWaalsContact C-N 3.29Å; I3151-Y3153 PolarHBondContact O-N 2.96Å
3154V89Confident88.1Confident52 Ų5283.9 Ų83.932%0.31542%0.417SS..Hα-helixtrans-88.3-15.7-175.6-166.80000112I3151 S3152 R3156 L3157 E3158I3151-V3154 PolarHBondContact O-N 2.58Å; S3152-V3154 VanDerWaalsContact C-N 3.34Å; V3154-R3156 PolarHBondContact O-N 3.44Å; V3154-L3157 PolarHBondContact O-N 3.12Å; V3154-E3158 HydrophobicContact CG1-CG 3.72Å; V3154-E3158 WeakPolarHBondContact CG1-OE1 3.4Å; V3154-E3158 PolarHBondContact O-N 3.15Å
3155I90.8Very high88.5Confident87 Ų8787.4 Ų87.445%0.44643%0.428SS..Hα-helixtrans-47.7-40.6179.9-68.4176.2000112.4I3151 L3157 E3158 E3159I3151-I3155 WeakPolarHBondContact O-CG1 3.49Å; I3151-I3155 PolarHBondContact O-N 2.63Å; I3155-L3157 PolarHBondContact O-N 3.35Å; I3155-E3158 PolarHBondContact O-N 2.92Å; I3155-E3159 HydrophobicContact CG2-CB 4.31Å; I3155-E3159 HydrophobicContact CG2-CG 4.14Å; I3155-E3159 WeakPolarHBondContact O-CB 3.38Å; I3155-E3159 PolarHBondContact O-N 3.37Å
3156R88.8Confident88.9Confident163 Ų16378.3 Ų78.362%0.61539%0.393SS*.Hα-helixtrans-57.4-33.4179.2-175.5-167.2-77.7179.50.9112.9V3154 M3202V3154-R3156 PolarHBondContact O-N 3.44Å; R3156-M3202 HydrophobicContact CG-CE 3.69Å; R3156-M3202 WeakPolarHBondContact O-CE 3.37Å
3157L88.9Confident89.3Confident67 Ų6773.8 Ų73.835%0.35137%0.366SS..Hα-helixtrans-98.4-28.3-176.5-60.9171.9000112.5V3154 I3155 Y3196 M3202V3154-L3157 PolarHBondContact O-N 3.12Å; I3155-L3157 PolarHBondContact O-N 3.35Å; L3157-Y3196 HydrophobicContact CD2-CD1 3.84Å; L3157-Y3196 HydrophobicContact CD2-CE1 3.86Å; L3157-M3202 HydrophobicContact CD2-CE 3.87Å; L3157-M3202 HydrophobicContact CD2-SD 3.88Å
3158E89.6Confident89.8Confident103 Ų10375 Ų7548%0.48136%0.363SS..Hα-helixtrans-86.6-30.4-179.2-84.5175.7-175.400113.5L2789 V3154 I3155 L3160L2789-E3158 WeakPolarHBondContact CD1-O 3.35Å; L2789-E3158 WeakPolarHBondContact CD2-O 3.49Å; V3154-E3158 HydrophobicContact CG1-CG 3.72Å; V3154-E3158 WeakPolarHBondContact CG1-OE1 3.4Å; V3154-E3158 PolarHBondContact O-N 3.15Å; I3155-E3158 PolarHBondContact O-N 2.92Å; E3158-L3160 PolarHBondContact O-N 2.68Å
3159E90.4Very high90.4Very high121 Ų12168.9 Ų68.957%0.56534%0.34SS*.  trans-97.446.8-175.7-69.5-64.3170.200113.7R2793 I3155R2793-E3159 IonicContact CZ-OE2 2.66Å; R2793-E3159 IonicContact NH1-OE2 2.78Å; R2793-E3159 IonicContact NH2-OE2 3.71Å; R2793-E3159 PolarHBondContact NH2-OE2 3.13Å; I3155-E3159 HydrophobicContact CG2-CB 4.31Å; I3155-E3159 HydrophobicContact CG2-CG 4.14Å; I3155-E3159 WeakPolarHBondContact O-CB 3.38Å; I3155-E3159 PolarHBondContact O-N 3.37Å
3160L93.4Very high91.1Very high6 Ų666.4 Ų66.43%0.03132%0.322CS..  trans-81128.3175.5-53.1171.1000110.9I2786 L2789 R2793 E3158 V3163 I3166 M3202 T3206I2786-L3160 HydrophobicContact CD1-CD1 3.97Å; L2789-L3160 HydrophobicContact CD2-CB 3.71Å; L2789-L3160 HydrophobicContact CD2-CD1 4.17Å; L2789-L3160 HydrophobicContact CD2-CG 4.07Å; R2793-L3160 PolarHBondContact NE-O 2.9Å; R2793-L3160 PolarHBondContact NH2-O 2.84Å; E3158-L3160 PolarHBondContact O-N 2.68Å; L3160-V3163 HydrophobicContact CB-CG1 3.7Å; L3160-V3163 HydrophobicContact CD1-CG1 4.15Å; L3160-I3166 HydrophobicContact CD1-CD1 4.26Å; L3160-M3202 HydrophobicContact CD1-SD 4.3Å; L3160-M3202 HydrophobicContact CD2-CE 4.01Å; L3160-M3202 HydrophobicContact CD2-CG 3.85Å; L3160-M3202 HydrophobicContact CD2-SD 3.88Å; L3160-T3206 HydrophobicContact CB-CG2 4.21Å; L3160-T3206 HydrophobicContact CD1-CG2 4.23Å; L3160-T3206 HydrophobicContact CD2-CG2 4.13Å; L3160-T3206 HydrophobicContact CG-CG2 4.42Å
3161P91Very high91.7Very high55 Ų5564.8 Ų64.836%0.35731%0.312SS..SBendtrans-69.9-43.6-176.5-21.132.2000114.2H3208P3161-H3208 WeakPolarHBondContact CB-NE2 3.39Å
3162H92.2Very high92.1Very high40 Ų4065.5 Ų65.519%0.18531%0.313CS..  trans-138.3113-177.6-174.368.2000110.7D3164 T3206H3162-D3164 IonicContact CE1-OD1 3.83Å; H3162-D3164 IonicContact CE1-OD2 3.91Å; H3162-D3164 PolarHBondContact CE1-OD2 2.93Å; H3162-D3164 IonicContact ND1-OD1 3.08Å; H3162-D3164 IonicContact ND1-OD2 2.83Å; H3162-D3164 IonicContact NE2-OD2 2.76Å; H3162-T3206 PolarHBondContact N-O 3.45Å; H3162-T3206 VanDerWaalsContact O-CA 3.24Å; H3162-T3206 WeakPolarHBondContact O-CA 3.42Å; H3162-T3206 VanDerWaalsContact O-CB 3.3Å; H3162-T3206 WeakPolarHBondContact O-CB 3.5Å
3163V94.2Very high92.4Very high1 Ų161.6 Ų61.61%0.00629%0.286CS..  trans-1051.6-170.1-63.40000114.5I2786 L2789 K2790 L3160 R3165 I3166 L3167I2786-V3163 HydrophobicContact CD1-CB 4.31Å; I2786-V3163 HydrophobicContact CD1-CG1 4.1Å; I2786-V3163 HydrophobicContact CG2-CB 4.09Å; I2786-V3163 HydrophobicContact CG2-CG2 4.25Å; L2789-V3163 HydrophobicContact CD2-CG1 3.67Å; L2789-V3163 HydrophobicContact CG-CG1 3.92Å; K2790-V3163 HydrophobicContact CB-CG2 3.7Å; K2790-V3163 HydrophobicContact CD-CG2 3.99Å; K2790-V3163 HydrophobicContact CG-CG2 4.38Å; L3160-V3163 HydrophobicContact CB-CG1 3.7Å; L3160-V3163 HydrophobicContact CD1-CG1 4.15Å; V3163-R3165 VanDerWaalsContact C-N 3.28Å; V3163-R3165 PolarHBondContact O-N 3.08Å; V3163-I3166 PolarHBondContact O-N 3.19Å; V3163-L3167 PolarHBondContact O-N 2.91Å
3164D94.3Very high92.7Very high43 Ų4353.6 Ų53.623%0.2326%0.255CS..Hα-helixtrans-64.4-34.6-167.4-61.49.9000112.2K2790 H3162 L3167 N3168K2790-D3164 VanDerWaalsContact CD-OD1 3.27Å; K2790-D3164 WeakPolarHBondContact CD-OD1 3.45Å; K2790-D3164 WeakPolarHBondContact CE-OD1 3.23Å; K2790-D3164 IonicContact NZ-OD1 3.97Å; K2790-D3164 PolarHBondContact NZ-OD1 3.01Å; K2790-D3164 IonicContact NZ-OD2 2.68Å; K2790-D3164 PolarHBondContact NZ-OD2 3.29Å; H3162-D3164 IonicContact CE1-OD1 3.83Å; H3162-D3164 IonicContact CE1-OD2 3.91Å; H3162-D3164 PolarHBondContact CE1-OD2 2.93Å; H3162-D3164 IonicContact ND1-OD1 3.08Å; H3162-D3164 IonicContact ND1-OD2 2.83Å; H3162-D3164 IonicContact NE2-OD2 2.76Å; D3164-L3167 PolarHBondContact O-N 2.8Å; D3164-N3168 VanDerWaalsContact O-CB 3.3Å; D3164-N3168 WeakPolarHBondContact O-CB 3.27Å; D3164-N3168 PolarHBondContact O-N 3.15Å; D3164-N3168 PolarHBondContact O-ND2 2.9Å; D3164-N3168 PolarHBondContact O-OD1 3.22Å
3165R94.5Very high92.9Very high113 Ų11354.3 Ų54.343%0.42626%0.256SS..Hα-helixtrans-65.3-39.6176-60.4-175.5-178171.1-5.2112.4V3163 L3169 W3205V3163-R3165 VanDerWaalsContact C-N 3.28Å; V3163-R3165 PolarHBondContact O-N 3.08Å; R3165-L3169 WeakPolarHBondContact O-CB 3.3Å; R3165-L3169 PolarHBondContact O-N 2.89Å; R3165-L3169 VanDerWaalsContact O-N 3.09Å; R3165-W3205 HydrophobicContact CB-CE3 3.57Å; R3165-W3205 HydrophobicContact CB-CZ3 3.56Å; R3165-W3205 WeakPolarHBondContact CD-O 3.21Å; R3165-W3205 PolarHBondContact NH1-O 3.02Å
3166I95.2Very high93Very high1 Ų150.8 Ų50.81%0.00524%0.238CC..Hα-helixtrans-70.1-43.1177.6-57-179.6000109.5I2786 L3160 V3163 L3169 C3170 L3192 L3195 Y3196 T3206I2786-I3166 HydrophobicContact CD1-CB 4.43Å; I2786-I3166 HydrophobicContact CD1-CD1 4.25Å; I2786-I3166 HydrophobicContact CD1-CG2 4.06Å; I2786-I3166 HydrophobicContact CG1-CG2 3.94Å; L3160-I3166 HydrophobicContact CD1-CD1 4.26Å; V3163-I3166 PolarHBondContact O-N 3.19Å; I3166-L3169 WeakPolarHBondContact O-CB 3.49Å; I3166-L3169 PolarHBondContact O-N 3.03Å; I3166-C3170 PolarHBondContact O-N 2.92Å; I3166-C3170 PolarHBondContact O-SG 2.8Å; I3166-L3192 HydrophobicContact CG2-CD1 4.05Å; I3166-L3195 HydrophobicContact CD1-CD2 3.95Å; I3166-L3195 HydrophobicContact CG1-CD2 3.78Å; I3166-Y3196 HydrophobicContact CG2-CE2 4.36Å; I3166-T3206 HydrophobicContact CD1-CG2 3.68Å; I3166-T3206 HydrophobicContact CG1-CG2 4.45Å
3167L94Very high93.3Very high2 Ų243.1 Ų43.11%0.0121%0.21CC..Hα-helixtrans-63.7-42.3178.3-175.159.3000112.4Y2738 Y2783 I2786 K2790 V3163 D3164 L3169 C3170 H3171Y2738-L3167 HydrophobicContact CE1-CD2 3.73Å; Y2738-L3167 VanDerWaalsContact OH-CD2 3.26Å; Y2738-L3167 WeakPolarHBondContact OH-CD2 3.38Å; Y2783-L3167 HydrophobicContact CD2-CD1 4.06Å; Y2783-L3167 HydrophobicContact CE2-CD1 3.63Å; I2786-L3167 HydrophobicContact CG2-CB 3.94Å; I2786-L3167 HydrophobicContact CG2-CD1 4.19Å; K2790-L3167 HydrophobicContact CB-CD2 4.26Å; K2790-L3167 HydrophobicContact CD-CD2 4.43Å; K2790-L3167 HydrophobicContact CG-CD2 3.87Å; V3163-L3167 PolarHBondContact O-N 2.91Å; D3164-L3167 PolarHBondContact O-N 2.8Å; L3167-L3169 VanDerWaalsContact C-N 3.33Å; L3167-L3169 PolarHBondContact O-N 3Å; L3167-C3170 PolarHBondContact O-N 2.93Å; L3167-H3171 PolarHBondContact O-CD2 2.89Å; L3167-H3171 VanDerWaalsContact O-CD2 3.25Å; L3167-H3171 PolarHBondContact O-N 2.84Å
3168N94.5Very high93.2Very high90 Ų9041.1 Ų41.148%0.48120%0.199SC..Hα-helixtrans-61.9-41.1173.9-72.4-9.8000111.4D3164 C3170 H3171 E3172D3164-N3168 VanDerWaalsContact O-CB 3.3Å; D3164-N3168 WeakPolarHBondContact O-CB 3.27Å; D3164-N3168 PolarHBondContact O-N 3.15Å; D3164-N3168 PolarHBondContact O-ND2 2.9Å; D3164-N3168 PolarHBondContact O-OD1 3.22Å; N3168-C3170 VanDerWaalsContact C-N 3.33Å; N3168-C3170 PolarHBondContact O-N 3.03Å; N3168-H3171 PolarHBondContact O-N 3.4Å; N3168-H3171 VanDerWaalsContact O-N 3.15Å; N3168-E3172 WeakPolarHBondContact O-CG 3.45Å; N3168-E3172 PolarHBondContact O-N 3.43Å
3169L95.6Very high93.3Very high5 Ų541 Ų413%0.02620%0.201CC..Hα-helixtrans-59.5-42.5174.2-178.863.5000111.8R3165 I3166 L3167 E3172 I3173 L3188 K3191 L3192R3165-L3169 WeakPolarHBondContact O-CB 3.3Å; R3165-L3169 PolarHBondContact O-N 2.89Å; R3165-L3169 VanDerWaalsContact O-N 3.09Å; I3166-L3169 WeakPolarHBondContact O-CB 3.49Å; I3166-L3169 PolarHBondContact O-N 3.03Å; L3167-L3169 VanDerWaalsContact C-N 3.33Å; L3167-L3169 PolarHBondContact O-N 3Å; L3169-E3172 WeakPolarHBondContact O-CB 3.48Å; L3169-E3172 PolarHBondContact O-N 2.82Å; L3169-I3173 HydrophobicContact CG-CD1 4.46Å; L3169-I3173 WeakPolarHBondContact O-CG1 3.33Å; L3169-I3173 PolarHBondContact O-N 3.43Å; L3169-L3188 HydrophobicContact CD1-CB 4.45Å; L3169-L3188 HydrophobicContact CD1-CD2 3.85Å; L3169-K3191 HydrophobicContact CD1-CD 4.47Å; L3169-L3192 HydrophobicContact CD2-CB 4.05Å; L3169-L3192 HydrophobicContact CD2-CD1 3.98Å
3170C94.6Very high93.4Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-63.1-41.9173.7-63.20000112.2Y2783 I3166 L3167 N3168 E3172 I3173 Y3174Y2783-C3170 HydrophobicContact CD2-CB 3.73Å; Y2783-C3170 HydrophobicContact CE2-CB 4.41Å; I3166-C3170 PolarHBondContact O-N 2.92Å; I3166-C3170 PolarHBondContact O-SG 2.8Å; L3167-C3170 PolarHBondContact O-N 2.93Å; N3168-C3170 VanDerWaalsContact C-N 3.33Å; N3168-C3170 PolarHBondContact O-N 3.03Å; C3170-E3172 VanDerWaalsContact C-N 3.33Å; C3170-E3172 PolarHBondContact O-N 3.27Å; C3170-I3173 WeakPolarHBondContact O-CB 3.35Å; C3170-I3173 PolarHBondContact O-N 2.86Å; C3170-Y3174 WeakPolarHBondContact O-CD2 3.48Å; C3170-Y3174 PolarHBondContact O-N 3.46Å
3171H93.1Very high93.5Very high64 Ų6444.4 Ų44.430%0.29622%0.223SC..Hα-helixtrans-64.4-35.2175.6-70.4-45.4000113.1Y2783 L3167 N3168 Y3174 L3175Y2783-H3171 AromaticContact CE2-CE1 3.84Å; L3167-H3171 PolarHBondContact O-CD2 2.89Å; L3167-H3171 VanDerWaalsContact O-CD2 3.25Å; L3167-H3171 PolarHBondContact O-N 2.84Å; N3168-H3171 PolarHBondContact O-N 3.4Å; N3168-H3171 VanDerWaalsContact O-N 3.15Å; H3171-Y3174 PolarHBondContact O-N 3.29Å; H3171-L3175 WeakPolarHBondContact O-CB 3.4Å; H3171-L3175 PolarHBondContact O-N 3.27Å
3172E95.5Very high93.7Very high96 Ų9645 Ų4545%0.44922%0.223SC..Hα-helixtrans-63.9-44.7172-73.6172.4-176.200111.1N3168 L3169 C3170 Y3174 L3175 V3176 L3188N3168-E3172 WeakPolarHBondContact O-CG 3.45Å; N3168-E3172 PolarHBondContact O-N 3.43Å; L3169-E3172 WeakPolarHBondContact O-CB 3.48Å; L3169-E3172 PolarHBondContact O-N 2.82Å; C3170-E3172 VanDerWaalsContact C-N 3.33Å; C3170-E3172 PolarHBondContact O-N 3.27Å; E3172-Y3174 VanDerWaalsContact C-N 3.31Å; E3172-Y3174 PolarHBondContact O-N 3.49Å; E3172-L3175 PolarHBondContact O-N 3.46Å; E3172-L3175 VanDerWaalsContact O-N 3.14Å; E3172-V3176 WeakPolarHBondContact O-CB 3.36Å; E3172-V3176 VanDerWaalsContact O-CG2 3.24Å; E3172-V3176 WeakPolarHBondContact O-CG2 3.47Å; E3172-V3176 PolarHBondContact O-N 3.17Å; E3172-L3188 HydrophobicContact CB-CD1 4.26Å
3173I94.7Very high93.9Very high0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-56.6-46.3175-67.8163.1000110.5L2779 L3169 C3170 L3175 V3176 R3177 E3185 L3188 V3189 L3192L2779-I3173 HydrophobicContact CD1-CD1 3.87Å; L2779-I3173 HydrophobicContact CD1-CG2 4.47Å; L2779-I3173 HydrophobicContact CD2-CG2 3.8Å; L3169-I3173 HydrophobicContact CG-CD1 4.46Å; L3169-I3173 WeakPolarHBondContact O-CG1 3.33Å; L3169-I3173 PolarHBondContact O-N 3.43Å; C3170-I3173 WeakPolarHBondContact O-CB 3.35Å; C3170-I3173 PolarHBondContact O-N 2.86Å; I3173-L3175 PolarHBondContact O-N 3.3Å; I3173-V3176 PolarHBondContact O-N 3.21Å; I3173-R3177 WeakPolarHBondContact O-CB 3.12Å; I3173-R3177 PolarHBondContact O-N 2.97Å; I3173-E3185 HydrophobicContact CG2-CG 4.41Å; I3173-L3188 HydrophobicContact CD1-CB 4.24Å; I3173-L3188 HydrophobicContact CG1-CB 3.58Å; I3173-L3188 HydrophobicContact CG1-CD1 4.26Å; I3173-V3189 HydrophobicContact CD1-CG2 3.92Å; I3173-V3189 HydrophobicContact CG1-CG2 4.27Å; I3173-V3189 HydrophobicContact CG2-CG2 3.91Å; I3173-L3192 HydrophobicContact CD1-CB 4.46Å; I3173-L3192 HydrophobicContact CD1-CD2 4.13Å
3174Y93Very high94Very high17 Ų1752.1 Ų52.17%0.06726%0.261CS..Hα-helixtrans-64.1-39176.9-64-42.9000113.2L2779 E2780 Y2783 C3170 H3171 E3172 E3178L2779-Y3174 HydrophobicContact CD2-CE1 4.48Å; E2780-Y3174 VanDerWaalsContact CD-OH 3.24Å; E2780-Y3174 WeakPolarHBondContact OE1-CE1 3.47Å; E2780-Y3174 PolarHBondContact OE1-OH 3.34Å; E2780-Y3174 PolarHBondContact OE2-OH 3.14Å; Y2783-Y3174 HydrophobicContact CD1-CE2 4.35Å; Y2783-Y3174 AromaticContact CD2-CE2 3.83Å; Y2783-Y3174 HydrophobicContact CD2-CE2 3.83Å; Y2783-Y3174 HydrophobicContact CE1-CE2 4.39Å; Y2783-Y3174 AromaticContact CE2-CE2 3.86Å; Y2783-Y3174 HydrophobicContact CE2-CE2 3.86Å; Y2783-Y3174 HydrophobicContact CG-CE2 4.08Å; C3170-Y3174 WeakPolarHBondContact O-CD2 3.48Å; C3170-Y3174 PolarHBondContact O-N 3.46Å; H3171-Y3174 PolarHBondContact O-N 3.29Å; E3172-Y3174 VanDerWaalsContact C-N 3.31Å; E3172-Y3174 PolarHBondContact O-N 3.49Å; Y3174-E3178 WeakPolarHBondContact O-CG 3.37Å; Y3174-E3178 PolarHBondContact O-N 2.78Å
3175L92.5Very high94.1Very high66 Ų6650.1 Ų50.135%0.34625%0.25SS..Hα-helixtrans-66-42.3176.6176.161000112H3171 E3172 I3173 R3177 E3178 N3179H3171-L3175 WeakPolarHBondContact O-CB 3.4Å; H3171-L3175 PolarHBondContact O-N 3.27Å; E3172-L3175 PolarHBondContact O-N 3.46Å; E3172-L3175 VanDerWaalsContact O-N 3.14Å; I3173-L3175 PolarHBondContact O-N 3.3Å; L3175-R3177 VanDerWaalsContact C-N 3.34Å; L3175-E3178 PolarHBondContact O-N 3.48Å; L3175-N3179 PolarHBondContact O-N 3.39Å; L3175-N3179 VanDerWaalsContact O-N 3.14Å; L3175-N3179 PolarHBondContact O-ND2 2.88Å; L3175-N3179 VanDerWaalsContact O-ND2 3.14Å
3176V94Very high94.2Very high13 Ų1350.3 Ų50.38%0.07926%0.256CS..Hα-helixtrans-65.1-40.6178.8168.60000110.8E3172 I3173 N3179 N3180 L3181 L3184 E3185 L3188E3172-V3176 WeakPolarHBondContact O-CB 3.36Å; E3172-V3176 VanDerWaalsContact O-CG2 3.24Å; E3172-V3176 WeakPolarHBondContact O-CG2 3.47Å; E3172-V3176 PolarHBondContact O-N 3.17Å; I3173-V3176 PolarHBondContact O-N 3.21Å; V3176-N3179 PolarHBondContact O-N 3.47Å; V3176-N3180 PolarHBondContact O-N 2.75Å; V3176-L3181 HydrophobicContact CG1-CB 3.83Å; V3176-L3181 WeakPolarHBondContact CG1-O 3.45Å; V3176-L3181 PolarHBondContact O-N 3.35Å; V3176-L3181 VanDerWaalsContact O-N 3.1Å; V3176-L3184 HydrophobicContact CG1-CB 3.72Å; V3176-L3184 HydrophobicContact CG1-CD2 4.1Å; V3176-L3184 HydrophobicContact CG1-CG 3.89Å; V3176-L3184 HydrophobicContact CG2-CD2 3.6Å; V3176-L3184 HydrophobicContact CG2-CG 3.98Å; V3176-E3185 HydrophobicContact CG1-CB 4.03Å; V3176-E3185 VanDerWaalsContact CG1-N 3.34Å; V3176-L3188 HydrophobicContact CB-CD1 4.48Å; V3176-L3188 HydrophobicContact CG2-CD1 3.87Å
3177R93Very high94.3Very high2 Ų255.7 Ų55.71%0.00828%0.281CS..Hα-helixtrans-59.7-46.5172.1-174.8-178.6-64.11592112.1L2730 T2767 L2771 W2776 I3173 L3175 N3179 N3180 E3185L2730-R3177 HydrophobicContact CD2-CG 4.11Å; T2767-R3177 HydrophobicContact CG2-CG 3.84Å; L2771-R3177 VanDerWaalsContact CD1-NH2 3.3Å; W2776-R3177 VanDerWaalsContact CZ3-NE 3.3Å; I3173-R3177 WeakPolarHBondContact O-CB 3.12Å; I3173-R3177 PolarHBondContact O-N 2.97Å; L3175-R3177 VanDerWaalsContact C-N 3.34Å; R3177-N3179 PolarHBondContact O-N 3.25Å; R3177-N3180 PolarHBondContact O-N 3.37Å; R3177-E3185 IonicContact CZ-OE1 3.61Å; R3177-E3185 VanDerWaalsContact CZ-OE1 3.26Å; R3177-E3185 IonicContact NE-OE1 3.95Å; R3177-E3185 PolarHBondContact NE-OE1 3.33Å; R3177-E3185 IonicContact NH2-OE1 3.43Å; R3177-E3185 PolarHBondContact NH2-OE1 3.16Å
3178E88.9Confident94.4Very high26 Ų2656.6 Ų56.612%0.12129%0.286CS..Hα-helixtrans-61.4-30.5177.1-79.2-175155.700114R2728 I2729 L2730 Y3174 L3175 N3180R2728-E3178 VanDerWaalsContact CA-OE1 3.22Å; R2728-E3178 WeakPolarHBondContact CA-OE1 3.35Å; R2728-E3178 WeakPolarHBondContact CA-OE2 3.11Å; R2728-E3178 WeakPolarHBondContact CB-OE2 3.42Å; R2728-E3178 WeakPolarHBondContact CG-OE2 3.5Å; R2728-E3178 IonicContact NE-OE2 3.87Å; I2729-E3178 PolarHBondContact N-OE1 2.99Å; L2730-E3178 HydrophobicContact CB-CG 3.93Å; L2730-E3178 WeakPolarHBondContact CB-OE1 3.43Å; L2730-E3178 HydrophobicContact CD1-CG 3.54Å; L2730-E3178 HydrophobicContact CG-CG 4.17Å; L2730-E3178 PolarHBondContact N-OE1 2.85Å; Y3174-E3178 WeakPolarHBondContact O-CG 3.37Å; Y3174-E3178 PolarHBondContact O-N 2.78Å; L3175-E3178 PolarHBondContact O-N 3.48Å; E3178-N3180 VanDerWaalsContact C-N 3.32Å
3179N91.7Very high94.5Very high99 Ų9952.5 Ų52.553%0.52926%0.264SS..THydrogen-bonded Turntrans-87.92.7177.7-68.2-37.3000113.2L3175 V3176 R3177 L3181L3175-N3179 PolarHBondContact O-N 3.39Å; L3175-N3179 VanDerWaalsContact O-N 3.14Å; L3175-N3179 PolarHBondContact O-ND2 2.88Å; L3175-N3179 VanDerWaalsContact O-ND2 3.14Å; V3176-N3179 PolarHBondContact O-N 3.47Å; R3177-N3179 PolarHBondContact O-N 3.25Å; N3179-L3181 HydrophobicContact CB-CD1 4.35Å; N3179-L3181 HydrophobicContact CB-CG 4.3Å; N3179-L3181 PolarHBondContact O-N 2.82Å
3180N91.8Very high94.6Very high105 Ų10555 Ų5556%0.56129%0.285SS*.THydrogen-bonded Turntrans56.830.3-176.8-58.5-51.8000114.3V3176 R3177 E3178 L3182V3176-N3180 PolarHBondContact O-N 2.75Å; R3177-N3180 PolarHBondContact O-N 3.37Å; E3178-N3180 VanDerWaalsContact C-N 3.32Å; N3180-L3182 VanDerWaalsContact C-N 3.32Å; N3180-L3182 PolarHBondContact O-N 2.81Å; N3180-L3182 VanDerWaalsContact O-N 3.17Å
3181L95.2Very high94.7Very high94 Ų9459.9 Ų59.949%0.49231%0.307SS..  trans-88.867.9176.3-69.7175.2000110.4V3176 N3179 L3183 L3184 E3185V3176-L3181 HydrophobicContact CG1-CB 3.83Å; V3176-L3181 WeakPolarHBondContact CG1-O 3.45Å; V3176-L3181 PolarHBondContact O-N 3.35Å; V3176-L3181 VanDerWaalsContact O-N 3.1Å; N3179-L3181 HydrophobicContact CB-CD1 4.35Å; N3179-L3181 HydrophobicContact CB-CG 4.3Å; N3179-L3181 PolarHBondContact O-N 2.82Å; L3181-L3183 VanDerWaalsContact C-N 3.35Å; L3181-L3183 PolarHBondContact O-N 3.39Å; L3181-L3184 HydrophobicContact CB-CB 4.44Å; L3181-L3184 PolarHBondContact O-N 3.16Å; L3181-L3184 VanDerWaalsContact O-N 3.1Å; L3181-E3185 PolarHBondContact O-N 2.92Å; L3181-E3185 VanDerWaalsContact O-N 3.13Å
3182L94.8Very high94.8Very high68 Ų6856.9 Ų56.936%0.35629%0.293SS..Hα-helixtrans-59.9-36-167.8-58.4-177.2000114.6A2770 N3180 L3184 E3185 E3186A2770-L3182 HydrophobicContact CB-CB 4.2Å; N3180-L3182 VanDerWaalsContact C-N 3.32Å; N3180-L3182 PolarHBondContact O-N 2.81Å; N3180-L3182 VanDerWaalsContact O-N 3.17Å; L3182-L3184 VanDerWaalsContact C-N 3.32Å; L3182-L3184 PolarHBondContact O-N 2.74Å; L3182-E3185 WeakPolarHBondContact O-CB 3.42Å; L3182-E3185 PolarHBondContact O-N 3.22Å; L3182-E3186 PolarHBondContact O-N 3.44Å; L3182-E3186 VanDerWaalsContact O-N 3.11Å
3183L96.5Very high94.8Very high121 Ų12154.3 Ų54.363%0.63428%0.28SS*.Hα-helixtrans-62.3-41.3176.9178.765.6000111.9L3181 E3185 E3186 Q3187L3181-L3183 VanDerWaalsContact C-N 3.35Å; L3181-L3183 PolarHBondContact O-N 3.39Å; L3183-E3185 VanDerWaalsContact C-N 3.34Å; L3183-E3186 PolarHBondContact O-N 2.83Å; L3183-Q3187 WeakPolarHBondContact O-CG 3.41Å; L3183-Q3187 PolarHBondContact O-N 3.41Å
3184L96.6Very high94.8Very high70 Ų7060.3 Ų60.337%0.36631%0.306SS..Hα-helixtrans-72.8-31.6178.9-177.662.2000110.9V3176 L3181 L3182 Q3187 L3188V3176-L3184 HydrophobicContact CG1-CB 3.72Å; V3176-L3184 HydrophobicContact CG1-CD2 4.1Å; V3176-L3184 HydrophobicContact CG1-CG 3.89Å; V3176-L3184 HydrophobicContact CG2-CD2 3.6Å; V3176-L3184 HydrophobicContact CG2-CG 3.98Å; L3181-L3184 HydrophobicContact CB-CB 4.44Å; L3181-L3184 PolarHBondContact O-N 3.16Å; L3181-L3184 VanDerWaalsContact O-N 3.1Å; L3182-L3184 VanDerWaalsContact C-N 3.32Å; L3182-L3184 PolarHBondContact O-N 2.74Å; L3184-Q3187 PolarHBondContact O-N 2.88Å; L3184-L3188 HydrophobicContact CD1-CD1 4.37Å; L3184-L3188 HydrophobicContact CD1-CG 4.15Å; L3184-L3188 HydrophobicContact CG-CD1 4.07Å; L3184-L3188 HydrophobicContact CG-CG 4.29Å; L3184-L3188 WeakPolarHBondContact O-CB 3.29Å; L3184-L3188 VanDerWaalsContact O-CG 3.26Å; L3184-L3188 WeakPolarHBondContact O-CG 3.29Å; L3184-L3188 PolarHBondContact O-N 3.5Å
3185E96.3Very high94.9Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-58.3-50.6172.6177.9-176.5-154.500110.3S2769 A2770 L2771 I3173 V3176 R3177 L3181 L3182 L3183 Q3187 L3188 V3189S2769-E3185 WeakPolarHBondContact CA-OE2 3.46Å; S2769-E3185 PolarHBondContact OG-OE1 2.95Å; S2769-E3185 PolarHBondContact OG-OE2 3.01Å; S2769-E3185 VanDerWaalsContact OG-OE2 3.07Å; A2770-E3185 PolarHBondContact N-OE2 3.3Å; A2770-E3185 VanDerWaalsContact N-OE2 3.15Å; L2771-E3185 HydrophobicContact CD1-CG 4.39Å; L2771-E3185 HydrophobicContact CG-CG 4.47Å; I3173-E3185 HydrophobicContact CG2-CG 4.41Å; V3176-E3185 HydrophobicContact CG1-CB 4.03Å; V3176-E3185 VanDerWaalsContact CG1-N 3.34Å; R3177-E3185 IonicContact CZ-OE1 3.61Å; R3177-E3185 VanDerWaalsContact CZ-OE1 3.26Å; R3177-E3185 IonicContact NE-OE1 3.95Å; R3177-E3185 PolarHBondContact NE-OE1 3.33Å; R3177-E3185 IonicContact NH2-OE1 3.43Å; R3177-E3185 PolarHBondContact NH2-OE1 3.16Å; L3181-E3185 PolarHBondContact O-N 2.92Å; L3181-E3185 VanDerWaalsContact O-N 3.13Å; L3182-E3185 WeakPolarHBondContact O-CB 3.42Å; L3182-E3185 PolarHBondContact O-N 3.22Å; L3183-E3185 VanDerWaalsContact C-N 3.34Å; E3185-Q3187 PolarHBondContact O-N 3.28Å; E3185-L3188 PolarHBondContact O-N 2.94Å; E3185-V3189 WeakPolarHBondContact O-CB 3.36Å; E3185-V3189 VanDerWaalsContact O-CG2 3.29Å; E3185-V3189 WeakPolarHBondContact O-CG2 3.38Å; E3185-V3189 PolarHBondContact O-N 3.15Å
3186E95.8Very high95Very high117 Ų11759.5 Ų59.555%0.54730%0.3SS..Hα-helixtrans-60.4-44.6179.5-170.5179.1177.300112L3182 L3183 V3189 A3190L3182-E3186 PolarHBondContact O-N 3.44Å; L3182-E3186 VanDerWaalsContact O-N 3.11Å; L3183-E3186 PolarHBondContact O-N 2.83Å; E3186-V3189 PolarHBondContact O-N 2.83Å; E3186-A3190 WeakPolarHBondContact O-CB 3.3Å; E3186-A3190 PolarHBondContact O-N 3.46Å
3187Q97.4Very high95Very high115 Ų11568.9 Ų68.954%0.53733%0.334SS..Hα-helixtrans-63.6-42.2178.1-71.6177.2-700113.1L3183 L3184 E3185 A3190 K3191L3183-Q3187 WeakPolarHBondContact O-CG 3.41Å; L3183-Q3187 PolarHBondContact O-N 3.41Å; L3184-Q3187 PolarHBondContact O-N 2.88Å; E3185-Q3187 PolarHBondContact O-N 3.28Å; Q3187-A3190 PolarHBondContact O-N 3.41Å; Q3187-K3191 PolarHBondContact O-N 2.67Å
3188L97.3Very high95Very high21 Ų2170.4 Ų70.411%0.1135%0.345CS..Hα-helixtrans-69.9-37.3178.9-70175.9000111.8L3169 E3172 I3173 V3176 L3184 E3185 K3191 L3192L3169-L3188 HydrophobicContact CD1-CB 4.45Å; L3169-L3188 HydrophobicContact CD1-CD2 3.85Å; E3172-L3188 HydrophobicContact CB-CD1 4.26Å; I3173-L3188 HydrophobicContact CD1-CB 4.24Å; I3173-L3188 HydrophobicContact CG1-CB 3.58Å; I3173-L3188 HydrophobicContact CG1-CD1 4.26Å; V3176-L3188 HydrophobicContact CB-CD1 4.48Å; V3176-L3188 HydrophobicContact CG2-CD1 3.87Å; L3184-L3188 HydrophobicContact CD1-CD1 4.37Å; L3184-L3188 HydrophobicContact CD1-CG 4.15Å; L3184-L3188 HydrophobicContact CG-CD1 4.07Å; L3184-L3188 HydrophobicContact CG-CG 4.29Å; L3184-L3188 WeakPolarHBondContact O-CB 3.29Å; L3184-L3188 VanDerWaalsContact O-CG 3.26Å; L3184-L3188 WeakPolarHBondContact O-CG 3.29Å; L3184-L3188 PolarHBondContact O-N 3.5Å; E3185-L3188 PolarHBondContact O-N 2.94Å; L3188-K3191 WeakPolarHBondContact O-CB 3.36Å; L3188-K3191 PolarHBondContact O-N 2.99Å; L3188-L3192 PolarHBondContact O-N 3.48Å
3189V96.5Very high95.2Very high4 Ų470.9 Ų70.92%0.02435%0.351CS..Hα-helixtrans-67.4-42.1174.5171.20000111L2771 L2779 I3173 E3185 E3186 K3191 L3192 F3193L2771-V3189 HydrophobicContact CD1-CG2 3.95Å; L2771-V3189 HydrophobicContact CD2-CB 4.09Å; L2771-V3189 HydrophobicContact CD2-CG1 3.82Å; L2771-V3189 HydrophobicContact CD2-CG2 4.03Å; L2779-V3189 HydrophobicContact CD2-CG2 4.47Å; I3173-V3189 HydrophobicContact CD1-CG2 3.92Å; I3173-V3189 HydrophobicContact CG1-CG2 4.27Å; I3173-V3189 HydrophobicContact CG2-CG2 3.91Å; E3185-V3189 WeakPolarHBondContact O-CB 3.36Å; E3185-V3189 VanDerWaalsContact O-CG2 3.29Å; E3185-V3189 WeakPolarHBondContact O-CG2 3.38Å; E3185-V3189 PolarHBondContact O-N 3.15Å; E3186-V3189 PolarHBondContact O-N 2.83Å; V3189-K3191 VanDerWaalsContact C-N 3.29Å; V3189-K3191 PolarHBondContact O-N 3.42Å; V3189-L3192 WeakPolarHBondContact O-CB 3.19Å; V3189-L3192 PolarHBondContact O-N 2.97Å; V3189-L3192 VanDerWaalsContact O-N 3.12Å; V3189-F3193 HydrophobicContact CG1-CD2 3.78Å; V3189-F3193 HydrophobicContact CG1-CE1 4.27Å; V3189-F3193 HydrophobicContact CG1-CE2 3.3Å; V3189-F3193 HydrophobicContact CG1-CG 4.44Å; V3189-F3193 HydrophobicContact CG1-CZ 3.59Å; V3189-F3193 WeakPolarHBondContact O-CG 3.48Å; V3189-F3193 PolarHBondContact O-N 3.26Å
3190A96.7Very high95.2Very high57 Ų5772.5 Ų72.547%0.47136%0.355SS..Hα-helixtrans-59-41.3173.700000111.9E3186 Q3187 F3193 F3194E3186-A3190 WeakPolarHBondContact O-CB 3.3Å; E3186-A3190 PolarHBondContact O-N 3.46Å; Q3187-A3190 PolarHBondContact O-N 3.41Å; A3190-F3193 PolarHBondContact O-N 3.46Å; A3190-F3194 WeakPolarHBondContact O-CB 3.29Å; A3190-F3194 PolarHBondContact O-N 2.71Å
3191K96.7Very high95.3Very high103 Ų10369.2 Ų69.245%0.44834%0.339SS..Hα-helixtrans-62.1-42.5173.6-178.4-180179.2-178.70112.2L3169 Q3187 L3188 V3189 F3194 L3195L3169-K3191 HydrophobicContact CD1-CD 4.47Å; Q3187-K3191 PolarHBondContact O-N 2.67Å; L3188-K3191 WeakPolarHBondContact O-CB 3.36Å; L3188-K3191 PolarHBondContact O-N 2.99Å; V3189-K3191 VanDerWaalsContact C-N 3.29Å; V3189-K3191 PolarHBondContact O-N 3.42Å; K3191-F3194 PolarHBondContact O-N 2.99Å; K3191-L3195 PolarHBondContact O-N 2.88Å; K3191-L3195 VanDerWaalsContact O-N 3.1Å
3192L96Very high95.3Very high0 Ų064.9 Ų64.90%032%0.316CS..Hα-helixtrans-62.2-46.7176.3-179.567.5000111.3L2779 V2782 I3166 L3169 I3173 L3188 V3189 F3194 L3195 Y3196L2779-L3192 HydrophobicContact CD1-CD2 3.38Å; V2782-L3192 HydrophobicContact CG1-CD1 4.23Å; V2782-L3192 HydrophobicContact CG1-CD2 4.11Å; V2782-L3192 HydrophobicContact CG1-CG 4.49Å; I3166-L3192 HydrophobicContact CG2-CD1 4.05Å; L3169-L3192 HydrophobicContact CD2-CB 4.05Å; L3169-L3192 HydrophobicContact CD2-CD1 3.98Å; I3173-L3192 HydrophobicContact CD1-CB 4.46Å; I3173-L3192 HydrophobicContact CD1-CD2 4.13Å; L3188-L3192 PolarHBondContact O-N 3.48Å; V3189-L3192 WeakPolarHBondContact O-CB 3.19Å; V3189-L3192 PolarHBondContact O-N 2.97Å; V3189-L3192 VanDerWaalsContact O-N 3.12Å; L3192-F3194 PolarHBondContact O-N 2.86Å; L3192-L3195 PolarHBondContact O-N 2.99Å; L3192-L3195 WeakPolarHBondContact O-CB 3.43Å; L3192-Y3196 HydrophobicContact CD1-CE2 4Å; L3192-Y3196 HydrophobicContact CD1-CD2 4.14Å; L3192-Y3196 VanDerWaalsContact O-N 3.12Å; L3192-Y3196 HydrophobicContact CG-CD2 4.43Å; L3192-Y3196 PolarHBondContact O-N 2.95Å
3193F94.9Very high95.2Very high43 Ų4367.2 Ų67.219%0.18933%0.328CS..Hα-helixtrans-67.2-35.7179-65.5-23.6000112.8H2775 E2778 V3189 A3190 L3195 Y3196 R3197H2775-F3193 HydrophobicContact CB-CE2 4.11Å; H2775-F3193 HydrophobicContact CB-CZ 4.21Å; H2775-F3193 AromaticContact ND1-CE2 3.63Å; E2778-F3193 HydrophobicContact CB-CE1 3.97Å; E2778-F3193 HydrophobicContact CB-CZ 3.95Å; V3189-F3193 HydrophobicContact CG1-CD2 3.78Å; V3189-F3193 HydrophobicContact CG1-CE1 4.27Å; V3189-F3193 HydrophobicContact CG1-CE2 3.3Å; V3189-F3193 HydrophobicContact CG1-CG 4.44Å; V3189-F3193 HydrophobicContact CG1-CZ 3.59Å; V3189-F3193 WeakPolarHBondContact O-CG 3.48Å; V3189-F3193 PolarHBondContact O-N 3.26Å; A3190-F3193 PolarHBondContact O-N 3.46Å; F3193-L3195 VanDerWaalsContact C-N 3.32Å; F3193-L3195 PolarHBondContact O-N 3.33Å; F3193-Y3196 PolarHBondContact O-N 2.86Å; F3193-R3197 WeakPolarHBondContact O-CB 2.95Å; F3193-R3197 PolarHBondContact O-N 3.07Å
3194F95.7Very high95Very high125 Ų12568.5 Ų68.555%0.54833%0.329SS..Hα-helixtrans-60.9-42172.3-177.5-97.4000111.9A3190 K3191 L3192 Y3196 R3197 S3198 T3201A3190-F3194 WeakPolarHBondContact O-CB 3.29Å; A3190-F3194 PolarHBondContact O-N 2.71Å; K3191-F3194 PolarHBondContact O-N 2.99Å; L3192-F3194 PolarHBondContact O-N 2.86Å; F3194-Y3196 PolarHBondContact O-N 3.02Å; F3194-R3197 PolarHBondContact O-N 3.02Å; F3194-S3198 PolarHBondContact O-N 2.93Å; F3194-T3201 HydrophobicContact CE1-CG2 4.33Å
3195L94.9Very high94.8Very high10 Ų1069 Ų695%0.05233%0.326CS..Hα-helixtrans-60.5-43.2176-175.769.6000111.9I3166 K3191 L3192 F3193 R3197 W3205I3166-L3195 HydrophobicContact CD1-CD2 3.95Å; I3166-L3195 HydrophobicContact CG1-CD2 3.78Å; K3191-L3195 PolarHBondContact O-N 2.88Å; K3191-L3195 VanDerWaalsContact O-N 3.1Å; L3192-L3195 PolarHBondContact O-N 2.99Å; L3192-L3195 WeakPolarHBondContact O-CB 3.43Å; F3193-L3195 VanDerWaalsContact C-N 3.32Å; F3193-L3195 PolarHBondContact O-N 3.33Å; L3195-R3197 VanDerWaalsContact C-N 3.32Å; L3195-R3197 PolarHBondContact O-N 3.33Å; L3195-W3205 HydrophobicContact CD1-CB 3.94Å; L3195-W3205 HydrophobicContact CD1-CD2 4.3Å; L3195-W3205 HydrophobicContact CD1-CG 3.86Å; L3195-W3205 HydrophobicContact CD2-CD2 4.48Å; L3195-W3205 HydrophobicContact CD2-CE3 4.22Å
3196Y93.6Very high94.7Very high56 Ų5669.2 Ų69.222%0.2233%0.327CS..Hα-helixtrans-71.2-25.1177.5-91.5-95.7000113.5V2782 I2786 L3157 I3166 L3192 F3193 F3194V2782-Y3196 HydrophobicContact CB-CE2 4.44Å; V2782-Y3196 HydrophobicContact CG1-CD2 4.38Å; V2782-Y3196 HydrophobicContact CG1-CE2 3.48Å; V2782-Y3196 VanDerWaalsContact CG1-CE2 3.48Å; V2782-Y3196 WeakPolarHBondContact CG1-OH 3.32Å; V2782-Y3196 HydrophobicContact CG2-CD1 4.42Å; V2782-Y3196 HydrophobicContact CG2-CD2 4.41Å; V2782-Y3196 HydrophobicContact CG2-CE1 4.08Å; V2782-Y3196 HydrophobicContact CG2-CE2 4.08Å; I2786-Y3196 WeakPolarHBondContact CD1-OH 3.33Å; I2786-Y3196 WeakPolarHBondContact CG1-OH 3.48Å; L3157-Y3196 HydrophobicContact CD2-CD1 3.84Å; L3157-Y3196 HydrophobicContact CD2-CE1 3.86Å; I3166-Y3196 HydrophobicContact CG2-CE2 4.36Å; L3192-Y3196 HydrophobicContact CD1-CE2 4Å; L3192-Y3196 HydrophobicContact CD1-CD2 4.14Å; L3192-Y3196 VanDerWaalsContact O-N 3.12Å; L3192-Y3196 HydrophobicContact CG-CD2 4.43Å; L3192-Y3196 PolarHBondContact O-N 2.95Å; F3193-Y3196 PolarHBondContact O-N 2.86Å; F3194-Y3196 PolarHBondContact O-N 3.02Å
3197R94.8Very high94.4Very high210 Ų21071.9 Ų71.979%0.79233%0.332SS*.Hα-helixtrans-73.8-31.6177-169.5179-68.7168.9-1.2112.9F3193 F3194 L3195F3193-R3197 WeakPolarHBondContact O-CB 2.95Å; F3193-R3197 PolarHBondContact O-N 3.07Å; F3194-R3197 PolarHBondContact O-N 3.02Å; L3195-R3197 VanDerWaalsContact C-N 3.32Å; L3195-R3197 PolarHBondContact O-N 3.33Å
3198S93.7Very high94Very high35 Ų3570.3 Ų70.325%0.24532%0.324CS..  trans-112.9108.3-177.3173.90000113.1F3194 E3200 T3201 M3202F3194-S3198 PolarHBondContact O-N 2.93Å; S3198-E3200 PolarHBondContact O-N 2.8Å; S3198-T3201 PolarHBondContact O-N 3.29Å; S3198-T3201 PolarHBondContact O-OG1 3.44Å; S3198-T3201 PolarHBondContact OG-N 2.86Å; S3198-T3201 WeakPolarHBondContact CB-OG1 3.46Å; S3198-M3202 PolarHBondContact O-N 2.97Å; S3198-M3202 VanDerWaalsContact O-N 3.07Å
3199S91.7Very high93.4Very high36 Ų3670.8 Ų70.825%0.25233%0.329SS..Hα-helixtrans-60.9-31.2178.755.40000113.7M3202 I3203S3199-M3202 PolarHBondContact O-N 3.02Å; S3199-I3203 VanDerWaalsContact O-CG1 3.3Å; S3199-I3203 WeakPolarHBondContact O-CG1 3.49Å; S3199-I3203 PolarHBondContact O-N 3.34Å
3200E93.3Very high92.5Very high132 Ų13276.1 Ų76.162%0.61735%0.352SS*.Hα-helixtrans-68-43.7177.3-64-176.3179.500111.8S3198 M3202 I3203 K3204S3198-E3200 PolarHBondContact O-N 2.8Å; E3200-M3202 VanDerWaalsContact C-N 3.31Å; E3200-I3203 PolarHBondContact O-N 2.82Å; E3200-K3204 WeakPolarHBondContact O-CG 3.32Å; E3200-K3204 PolarHBondContact O-N 2.72Å; E3200-K3204 VanDerWaalsContact O-N 3.1Å
3201T94Very high91.6Very high36 Ų3678 Ų7822%0.22135%0.351CS..Hα-helixtrans-66-38.517763.90000111.1F3194 S3198 K3204 W3205F3194-T3201 HydrophobicContact CE1-CG2 4.33Å; S3198-T3201 PolarHBondContact O-N 3.29Å; S3198-T3201 PolarHBondContact O-OG1 3.44Å; S3198-T3201 PolarHBondContact OG-N 2.86Å; S3198-T3201 WeakPolarHBondContact CB-OG1 3.46Å; T3201-K3204 PolarHBondContact O-N 3.04Å; T3201-W3205 WeakPolarHBondContact O-CB 3.21Å; T3201-W3205 PolarHBondContact O-N 3.27Å
3202M93.3Very high90.4Very high3 Ų376 Ų762%0.01534%0.344CS..Hα-helixtrans-60-48.4175.9-170.2168.463.500111.5R3156 L3157 L3160 S3198 S3199 E3200 K3204 W3205 T3206R3156-M3202 HydrophobicContact CG-CE 3.69Å; R3156-M3202 WeakPolarHBondContact O-CE 3.37Å; L3157-M3202 HydrophobicContact CD2-CE 3.87Å; L3157-M3202 HydrophobicContact CD2-SD 3.88Å; L3160-M3202 HydrophobicContact CD1-SD 4.3Å; L3160-M3202 HydrophobicContact CD2-CE 4.01Å; L3160-M3202 HydrophobicContact CD2-CG 3.85Å; L3160-M3202 HydrophobicContact CD2-SD 3.88Å; S3198-M3202 PolarHBondContact O-N 2.97Å; S3198-M3202 VanDerWaalsContact O-N 3.07Å; S3199-M3202 PolarHBondContact O-N 3.02Å; E3200-M3202 VanDerWaalsContact C-N 3.31Å; M3202-K3204 PolarHBondContact O-N 3.16Å; M3202-W3205 PolarHBondContact O-N 2.8Å; M3202-W3205 VanDerWaalsContact O-N 3.17Å; M3202-T3206 HydrophobicContact CG-CG2 4.38Å; M3202-T3206 WeakPolarHBondContact O-CG2 3.42Å; M3202-T3206 PolarHBondContact O-N 2.81Å; M3202-T3206 PolarHBondContact O-OG1 3.5Å
3203I93.4Very high89.4Confident117 Ų11778.9 Ų78.960%0.636%0.362SS*.Hα-helixtrans-59.9-44176.9-68.8165.4000111.5S3199 E3200 W3205 T3206 R3207S3199-I3203 VanDerWaalsContact O-CG1 3.3Å; S3199-I3203 WeakPolarHBondContact O-CG1 3.49Å; S3199-I3203 PolarHBondContact O-N 3.34Å; E3200-I3203 PolarHBondContact O-N 2.82Å; I3203-W3205 VanDerWaalsContact C-N 3.31Å; I3203-W3205 PolarHBondContact O-N 3.15Å; I3203-T3206 PolarHBondContact O-N 2.92Å; I3203-R3207 PolarHBondContact O-N 2.88Å
3204K92.7Very high88.3Confident149 Ų14982.3 Ų82.365%0.64838%0.378SS*.Hα-helixtrans-61.8-39.9177.3-72.3176.1-177.3176.30111.6E3200 T3201 M3202E3200-K3204 WeakPolarHBondContact O-CG 3.32Å; E3200-K3204 PolarHBondContact O-N 2.72Å; E3200-K3204 VanDerWaalsContact O-N 3.1Å; T3201-K3204 PolarHBondContact O-N 3.04Å; M3202-K3204 PolarHBondContact O-N 3.16Å
3205W92.1Very high87Confident81 Ų8180.4 Ų80.431%0.30737%0.368SS..Hα-helixtrans-74-36.2-179.7-103.464.5000113.7R3165 L3195 T3201 M3202 I3203R3165-W3205 HydrophobicContact CB-CE3 3.57Å; R3165-W3205 HydrophobicContact CB-CZ3 3.56Å; R3165-W3205 WeakPolarHBondContact CD-O 3.21Å; R3165-W3205 PolarHBondContact NH1-O 3.02Å; L3195-W3205 HydrophobicContact CD1-CB 3.94Å; L3195-W3205 HydrophobicContact CD1-CD2 4.3Å; L3195-W3205 HydrophobicContact CD1-CG 3.86Å; L3195-W3205 HydrophobicContact CD2-CD2 4.48Å; L3195-W3205 HydrophobicContact CD2-CE3 4.22Å; T3201-W3205 WeakPolarHBondContact O-CB 3.21Å; T3201-W3205 PolarHBondContact O-N 3.27Å; M3202-W3205 PolarHBondContact O-N 2.8Å; M3202-W3205 VanDerWaalsContact O-N 3.17Å; I3203-W3205 VanDerWaalsContact C-N 3.31Å; I3203-W3205 PolarHBondContact O-N 3.15Å
3206T93.9Very high85.5Confident4 Ų487.5 Ų87.53%0.02540%0.398CS..THydrogen-bonded Turntrans-9410.9-174.962.10000114.5L3160 H3162 I3166 M3202 I3203L3160-T3206 HydrophobicContact CB-CG2 4.21Å; L3160-T3206 HydrophobicContact CD1-CG2 4.23Å; L3160-T3206 HydrophobicContact CD2-CG2 4.13Å; L3160-T3206 HydrophobicContact CG-CG2 4.42Å; H3162-T3206 PolarHBondContact N-O 3.45Å; H3162-T3206 VanDerWaalsContact O-CA 3.24Å; H3162-T3206 WeakPolarHBondContact O-CA 3.42Å; H3162-T3206 VanDerWaalsContact O-CB 3.3Å; H3162-T3206 WeakPolarHBondContact O-CB 3.5Å; I3166-T3206 HydrophobicContact CD1-CG2 3.68Å; I3166-T3206 HydrophobicContact CG1-CG2 4.45Å; M3202-T3206 HydrophobicContact CG-CG2 4.38Å; M3202-T3206 WeakPolarHBondContact O-CG2 3.42Å; M3202-T3206 PolarHBondContact O-N 2.81Å; M3202-T3206 PolarHBondContact O-OG1 3.5Å; I3203-T3206 PolarHBondContact O-N 2.92Å
3207R90.4Very high84.2Confident173 Ų17389.5 Ų89.565%0.65342%0.417SS*.SBendtrans-67.6141.8174.4-168.8176179.1173.90.8110.3I3203I3203-R3207 PolarHBondContact O-N 2.88Å
3208H87.8Confident82.1Confident81 Ų8183.8 Ų83.838%0.37541%0.408SS..PPolyproline II helixtrans-58.5141.8170.4-72.6-71000110.8P3161 V3213P3161-H3208 WeakPolarHBondContact CB-NE2 3.39Å; H3208-V3213 HydrophobicContact CB-CG2 4.01Å
3209P84.4Confident79.7Confident32 Ų3291 Ų9121%0.20844%0.435CS..PPolyproline II helixtrans-63.2142.1176.226.4-33.4000111H3211 I3212P3209-H3211 PolarHBondContact O-N 2.87Å; P3209-H3211 VanDerWaalsContact C-N 3.3Å; P3209-I3212 HydrophobicContact CG-CB 4.49Å; P3209-I3212 HydrophobicContact CG-CD1 3.57Å; P3209-I3212 HydrophobicContact CG-CG1 3.89Å; P3209-I3212 PolarHBondContact O-N 3Å
3210K77.7Confident77.6Confident115 Ų11594.5 Ų94.550%0.546%0.457SS..Hα-helixtrans-52.7-43-170-68-176.8179.5179.70113.3I3212 V3213 E3214K3210-I3212 PolarHBondContact O-N 2.91Å; K3210-V3213 WeakPolarHBondContact O-CB 3.2Å; K3210-V3213 PolarHBondContact O-N 3.19Å; K3210-E3214 PolarHBondContact O-N 3.28Å
3211H78.1Confident75.1Confident98 Ų9894.4 Ų94.445%0.45447%0.466SS..Hα-helixtrans-58.4-30.8179.975.1-91.2000114.2P3209 R3215P3209-H3211 PolarHBondContact O-N 2.87Å; P3209-H3211 VanDerWaalsContact C-N 3.3Å; H3211-R3215 PolarHBondContact O-N 3.32Å
3212I72.3Confident72.6Confident59 Ų5997.4 Ų97.430%0.30349%0.489SS..Hα-helixtrans-74.4-40.1176.9-62.2-176.4000109.8P3209 K3210 F3216P3209-I3212 HydrophobicContact CG-CB 4.49Å; P3209-I3212 HydrophobicContact CG-CD1 3.57Å; P3209-I3212 HydrophobicContact CG-CG1 3.89Å; P3209-I3212 PolarHBondContact O-N 3Å; K3210-I3212 PolarHBondContact O-N 2.91Å; I3212-F3216 HydrophobicContact CG2-CD2 4.02Å; I3212-F3216 WeakPolarHBondContact O-CD2 3.26Å; I3212-F3216 HydrophobicContact CG2-CE2 3.61Å
3213V74.1Confident69.9Low62 Ų62104 Ų10438%0.37653%0.529SS..Hα-helixtrans-65.4-46.2-179.3-177.60000110.4H3208 K3210 R3215 F3216 T3217H3208-V3213 HydrophobicContact CB-CG2 4.01Å; K3210-V3213 WeakPolarHBondContact O-CB 3.2Å; K3210-V3213 PolarHBondContact O-N 3.19Å; V3213-R3215 VanDerWaalsContact C-N 3.3Å; V3213-R3215 PolarHBondContact O-N 3.04Å; V3213-F3216 PolarHBondContact O-N 3.31Å; V3213-T3217 HydrophobicContact CG1-CG2 4.08Å; V3213-T3217 WeakPolarHBondContact O-CG2 3.49Å; V3213-T3217 PolarHBondContact O-N 2.56Å; V3213-T3217 PolarHBondContact O-OG1 3.37Å
3214E72.3Confident67.2Low115 Ų115104.5 Ų104.554%0.53754%0.538SS..Hα-helixtrans-59.4-40.2-179.3-75166-161.800112.6K3210 F3216 T3217 S3218K3210-E3214 PolarHBondContact O-N 3.28Å; E3214-F3216 PolarHBondContact O-N 3.01Å; E3214-T3217 PolarHBondContact O-N 2.98Å; E3214-T3217 PolarHBondContact O-OG1 3.39Å; E3214-T3217 WeakPolarHBondContact CA-OG1 3.28Å; E3214-S3218 PolarHBondContact O-N 3.19Å; E3214-S3218 VanDerWaalsContact O-N 3.16Å; E3214-S3218 PolarHBondContact O-OG 3.42Å
3215R67.7Low64.6Low85 Ų85103.1 Ų103.132%0.32154%0.542SS..Hα-helixtrans-61.5-25.1175.3177.5171.6-94.6163.6-9.3113.3H3211 V3213H3211-R3215 PolarHBondContact O-N 3.32Å; V3213-R3215 VanDerWaalsContact C-N 3.3Å; V3213-R3215 PolarHBondContact O-N 3.04Å
3216F64.1Low61.9Low158 Ų158107.6 Ų107.669%0.69357%0.571SS**Hα-helixtrans-97.2-15177-67.3-63.3000113.8I3212 V3213 E3214I3212-F3216 HydrophobicContact CG2-CD2 4.02Å; I3212-F3216 WeakPolarHBondContact O-CD2 3.26Å; I3212-F3216 HydrophobicContact CG2-CE2 3.61Å; V3213-F3216 PolarHBondContact O-N 3.31Å; E3214-F3216 PolarHBondContact O-N 3.01Å
3217T66.2Low59.2Low99 Ų99112.8 Ų112.861%0.60761%0.608SS**Hα-helixtrans-101.1-21.4-175.853.30000114.6V3213 E3214 K3219V3213-T3217 HydrophobicContact CG1-CG2 4.08Å; V3213-T3217 WeakPolarHBondContact O-CG2 3.49Å; V3213-T3217 PolarHBondContact O-N 2.56Å; V3213-T3217 PolarHBondContact O-OG1 3.37Å; E3214-T3217 PolarHBondContact O-N 2.98Å; E3214-T3217 PolarHBondContact O-OG1 3.39Å; E3214-T3217 WeakPolarHBondContact CA-OG1 3.28Å; T3217-K3219 PolarHBondContact O-N 2.78Å; T3217-K3219 VanDerWaalsContact O-N 3.13Å
3218S50.2Low56.6Low89 Ų89113.6 Ų113.662%0.62262%0.619SS**  trans-71.9106.7175.752.80000110.5E3214E3214-S3218 PolarHBondContact O-N 3.19Å; E3214-S3218 VanDerWaalsContact O-N 3.16Å; E3214-S3218 PolarHBondContact O-OG 3.42Å
3219K44.1Very low54Low186 Ų186118.9 Ų118.981%0.80964%0.644SS**  trans-61.6136.2164.1-87.1179.7175.3177.80108.2T3217 T3221T3217-K3219 PolarHBondContact O-N 2.78Å; T3217-K3219 VanDerWaalsContact O-N 3.13Å; K3219-T3221 PolarHBondContact O-N 3.17Å
3220P48.5Very low51.8Low110 Ų110122.8 Ų122.871%0.71467%0.669SS**  trans-65.1101.7171.725.9-30.2000108.1S3222P3220-S3222 PolarHBondContact O-N 3.12Å
3221T40.9Very low50Low130 Ų130123.5 Ų123.580%0.79869%0.685SS**  trans-77.5122.4172.9-53.60000107.1K3219K3219-T3221 PolarHBondContact O-N 3.17Å
3222S41.2Very low48.1Very low100 Ų100126.4 Ų126.470%0.69970%0.704SS**  trans-50.1129.4-175.344.90000113.9P3220 T3224P3220-S3222 PolarHBondContact O-N 3.12Å; S3222-T3224 PolarHBondContact O-N 3.35Å
3223T36.5Very low46.7Very low141 Ų141128.8 Ų128.887%0.86573%0.726SS**  trans-41.8119.8165.2-290000112.3
3224T37.1Very low45.2Very low127 Ų127130.2 Ų130.278%0.77975%0.745SS**  trans-117.2122.4156.3-58.20000108S3222S3222-T3224 PolarHBondContact O-N 3.35Å
3225T36.4Very low43.6Very low120 Ų120130.7 Ų130.774%0.73676%0.757SS**  trans-48.6129.6173.942.20000113.9
3226L36.3Very low42.2Very low175 Ų175133.4 Ų133.492%0.91678%0.784SS**  trans-145.7138.1137.6-145.384.2000110.2
3227S36.2Very low40.8Very low114 Ų114132 Ų13280%0.79779%0.788SS**  trans-74.7156-160.5-45.50000114.2
3228Q36.3Very low39.5Very low190 Ų190132.2 Ų132.289%0.88879%0.794SS**  trans-58.7145.4169.8-67.2160.9-57.800112.5
3229E33.1Very low39Very low192 Ų192136.8 Ų136.890%0.89781%0.805SS**  -154.3137.3126.7-119.3178.4170.800111.1
3230P39.3Very low38.7Very low113 Ų113133 Ų13373%0.73480%0.8SS**PPolyproline II helixtrans-99.7152.7-169.837.6-30.3000113
3231P40.1Very low38.3Very low130 Ų130133.1 Ų133.184%0.84480%0.8SS**PPolyproline II helixtrans-92.9131.9-178.634.1-29.3000112.7
3232N38.3Very low38.1Very low160 Ų160131.8 Ų131.886%0.85680%0.796SS**PPolyproline II helixtrans-100.8128.4168.6-92.9-24.3000111.6
3233S42.5Very low37.9Very low108 Ų108132.2 Ų132.276%0.75580%0.799SS**  trans7.3130.414762.90000122
3234A42.5Very low38Very low93 Ų93131.3 Ų131.377%0.76980%0.799SS**  140.8144.2105.800000113
3235P37.5Very low37.9Very low124 Ų124128.1 Ų128.181%0.80579%0.791SS**  trans-101.3157.6-162.737.9-30000113.4
3236T37.9Very low37.9Very low142 Ų142128.8 Ų128.887%0.87180%0.795SS**  trans-143.8140.9158.9-21.90000110.4
3237T36.3Very low37.8Very low129 Ų129128.9 Ų128.979%0.79179%0.793SS**  trans-74.3163.3-169.626.20000114.7
3238S38.6Very low37.6Very low103 Ų103131.7 Ų131.772%0.7279%0.793SS**  trans112.1101147.2750000118.1
3239H38.5Very low37.7Very low186 Ų186127.4 Ų127.486%0.86178%0.782SS**  70.2143.3128.6-70.8-75.3000123.3
3240P39.6Very low37.8Very low107 Ų107122.1 Ų122.170%0.69577%0.766SS**  trans-103.2-157.6-167.145-30.4000109.5
3241P40.2Very low37.5Very low111 Ų111123.6 Ų123.672%0.72177%0.766SS**  cis-138-169.9-2.336.3-13.7000114.6
3242S36.1Very low37.1Very low103 Ų103123.6 Ų123.672%0.7276%0.759SS**  trans120.6127.2136.573.40000119.3
3243S36.6Very low36.7Very low108 Ų108123.2 Ų123.276%0.75575%0.752SS**  trans53.3128.4146.961.30000118.4
3244S38Very low36.1Very low123 Ų123125.2 Ų125.286%0.8675%0.749SS**  cis-177.9148.242.343.60000103.7
3245G35.2Very low35.3Very low59 Ų59129 Ų12961%0.60875%0.749SS**  cis132.6123.944.200000106.2
3246T35.7Very low35.1Very low135 Ų135134.8 Ų134.883%0.82875%0.754SS**  trans63.9141.5152.753.40000118.2
3247M34.4Very low34.8Very low177 Ų177134.3 Ų134.387%0.87275%0.747SS**  cis-166.9144.411.3-127.1168.3168.600107.8
3248H32.7Very low34.7Very low172 Ų172134.3 Ų134.380%0.79674%0.741SS**  trans-52.1173.7156.6-122.6-103.8000111.2
3249P39.4Very low34.5Very low101 Ų101135.7 Ų135.766%0.65674%0.74SS**  cis-152.2176.523.536.4-11000118.4
3250S34.3Very low34.3Very low80 Ų80133.9 Ų133.956%0.55974%0.736SS**  trans58.6118.5131.865.30000121.2
3251I33.2Very low34.1Very low145 Ų145131.6 Ų131.674%0.74473%0.733SS**  108.5128.584.8-81.8174.4000110.6
3252N31.8Very low33.6Very low129 Ų129132.3 Ų132.369%0.6974%0.735SS**  trans74.2125.4153.5-67.8-9000122.4
3253Q30Very low33.6Very low152 Ų152134.8 Ų134.871%0.7174%0.74SS**  84.2122126.2-81.9175.2-40.400120.2
3254E28.5Very low33.5Very low151 Ų151134.5 Ų134.571%0.70674%0.738SS**  trans87.5122.9130.8-72.8-166.3150.100120.5
3255F26.9Very low33.2Very low171 Ų171138.5 Ų138.575%0.7574%0.74SS**  trans46.4110.2134.4-74.8-83.5000119.1
3256R33.7Very low33.5Very low246 Ų246141 Ų14193%0.92875%0.746SS**  trans-162.293.9139.9-100.5171.1-162.7-1714.6105.4
3257N31.2Very low33.8Very low133 Ų133139.8 Ų139.871%0.71174%0.74SS**  49.2123.667.1-127.714000113
3258I33.5Very low34Very low129 Ų129137.5 Ų137.566%0.66274%0.736SS**  trans113.4120.9142.3-64.2167000117.4
3259N34.9Very low34.1Very low131 Ų131136.5 Ų136.570%0.70173%0.731SS**  trans87.5133.9153.7-68.6-13.7000119
3260N33.4Very low34Very low148 Ų148142.3 Ų142.379%0.79175%0.747SS**  cis-175.7155.1-7.1-112.6-15.8000108.2
3261G35.4Very low33.9Very low60 Ų60148.5 Ų148.562%0.61976%0.758SS**  trans112.284155.300000115.2
3262T31.2Very low33.9Very low126 Ų126152.4 Ų152.477%0.77376%0.763SS**  69.8136.682.9630000116
3263N34.8Very low34.1Very low154 Ų154151.4 Ų151.482%0.82476%0.761SS**  trans94.6133.2174.4-55.7-25.3000114.3
3264S36.1Very low34.4Very low103 Ų103154 Ų15472%0.7276%0.764SS**  cis178.2131.2-0.144.10000108.5
3265K30.3Very low34.7Very low207 Ų207153 Ų15390%0.976%0.764SS**  trans50150.2143.9-84.9177.1175.3173.60124.7
3266P42.1Very low35Very low112 Ų112149.6 Ų149.673%0.72776%0.762SS**  trans-96.7-171-178.846-37.8000112.2
3267P41.3Very low35.1Very low109 Ų109143.4 Ų143.471%0.70875%0.751SS**  -162.5-16670.338.4-11.8000117.3
3268V39.6Very low35.3Very low128 Ų128143.7 Ų143.778%0.77675%0.752SS**  trans140.890.2142.9-177.40000112.7
3269H34.9Very low35.4Very low152 Ų152145.6 Ų145.670%0.70476%0.764SS**  66112.686.9-90.2-65.2000118.7
3270F36.1Very low35.4Very low223 Ų223143 Ų14398%0.97877%0.768SS**  -150.3142.5121.5-112.2-80.6000111
3271R33Very low35.4Very low209 Ų209143.2 Ų143.279%0.78977%0.769SS**  trans-120.9140.1-152.2175.6-169.6-161.3177.35.5109.9
3272R34.3Very low35.6Very low228 Ų228149.2 Ų149.286%0.8678%0.781SS**  174107129.6-142.9160.4-97.3-173.5-4.1110.5
3273V35.1Very low35.9Very low107 Ų107153.6 Ų153.665%0.64878%0.783SS**  75.3129.1104.2168.40000112.5
3274R35.9Very low36.1Very low206 Ų206153.5 Ų153.578%0.77778%0.782SS**  cis-164.7149.916-118.2172.5-142.9160.65.5109.9
3275N34.4Very low36.2Very low131 Ų131153.8 Ų153.870%0.70178%0.782SS**  trans65.6107.8142.3-60.41000119.3
3276S33.5Very low36.7Very low100 Ų100149.6 Ų149.670%0.69978%0.775SS**  67.912072.677.20000111.1
3277V37Very low36.7Very low116 Ų116149.5 Ų149.570%0.70378%0.775SS**  -174137.762.2158.40000108.9
3278D35.7Very low36.4Very low138 Ų138150.3 Ų150.374%0.73878%0.778SS**  trans46.6120.5144.5-51.2-14.6000123.8
3279D34.1Very low36.3Very low169 Ų169149.9 Ų149.990%0.90478%0.776SS**  32.4125.1121.1-67.9-22.4000120.1
3280G35.4Very low36.5Very low77 Ų77147.8 Ų147.879%0.79477%0.774SS**  trans172.497.6162.600000113.1
3281N34.5Very low36.6Very low153 Ų153142.6 Ų142.682%0.81876%0.76SS**  trans-38.3137.4164-73.2-44.9000113
3282H38.5Very low36.9Very low185 Ų185139.3 Ų139.386%0.85676%0.758SS**  -178.7119.3122.9-92.8-61.7000113.1
3283R37.9Very low37Very low219 Ų219135.9 Ų135.983%0.82676%0.756SS**  trans-5.6144148.1-86.7177.5-177.9-154.80.4120.8
3284L38Very low37.3Very low151 Ų151136 Ų13679%0.79176%0.759SS**  trans92.2151.6135.8-74.9160.6000119
3285P38.3Very low37.4Very low110 Ų110131.4 Ų131.471%0.71476%0.758SS**  trans-118.2-169.8-13445-27.8000112.6
3286P40.3Very low37.5Very low118 Ų118130.3 Ų130.377%0.76676%0.761SS**  trans-96.9169.7-146.340.3-38.3000116
3287P42.2Very low37.6Very low111 Ų111130.8 Ų130.872%0.72176%0.764SS**  trans-128.1131.4152.433.3-17.4000112.5
3288T36.7Very low37.5Very low125 Ų125133 Ų13377%0.76777%0.767SS**  47.1109.792.621.40000117.4
3289T35.9Very low37.5Very low120 Ų120136.3 Ų136.374%0.73677%0.771SS**  trans61.7132.4133.5-280000120.6
3290T39.1Very low37.4Very low108 Ų108141.1 Ų141.166%0.66379%0.788SS**  125.3125.5126.8-230000115.4
3291T39.2Very low37.5Very low113 Ų113144.4 Ų144.469%0.69379%0.787SS**  trans80.9121.9137.335.60000123.1
3292L38.9Very low37.7Very low140 Ų140143.9 Ų143.973%0.73379%0.786SS**  trans93.4103134.2-62.4162000120.8
3293L37.6Very low37.6Very low156 Ų156141.6 Ų141.682%0.81778%0.782SS**  59.2156.1120.6-77.3166.2000121.4
3294P40.9Very low37.6Very low110 Ų110137.1 Ų137.171%0.71478%0.779SS**  trans-126.4165.8-134.941.3-25.4000114.8
3295S36.4Very low37.6Very low109 Ų109136.2 Ų136.276%0.76278%0.778SS**  trans-173.1135.2149.448.30000113.8
3296S36.8Very low37.5Very low109 Ų109137.9 Ų137.976%0.76278%0.783SS**  trans50.6118.9140.962.80000122.5
3297S36.6Very low37.3Very low110 Ų110139.4 Ų139.477%0.76978%0.784SS**  159.1104.6116.762.90000109.2
3298Q34.9Very low37Very low163 Ų163141.5 Ų141.576%0.76279%0.789SS**  89.2125.490.5-112.7-171.53.500114.5
3299Y34.7Very low37Very low207 Ų207142.9 Ų142.981%0.81279%0.79SS**  trans68.297.2160.5-69.9-79.3000120.4
3300Q32.7Very low37.1Very low270 Ų270145 Ų145100%1.26280%0.795SS**  -161.7099.2-151.1168.416.500111

Retrieved 3,300 of 3,300 residues in 1633.9 ms (Link to these results)

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