A0A5K4F7R9_SCHMA Loading...

E3 ubiquitin-protein ligase

Ubiquitin ligase protein which is a component of the N-end rule pathway. Recognizes and binds to proteins bearing specific N-terminal residues that are destabilizing according to the N-end rule, leading to their ubiquitination and subsequent degradation.

AlphaFold DB , UniProt , Accession A0A5K4F7R9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,471 aa.

>A0A5K4F7R9_SCHMA|A0A5K4F7R9
MDIDEIEFKDPPEFVKYVCGRLNMTKEEFRDEFREACVNGHFDSPVFSTVRKLFRFHCFCSSRFRTKNKMLCTTKLFEYLISGNLGFDNLRRKLKEYDYSARCSLVWTTNYFAYRCRTCGMSPSMSLCSSCFTAGNHEGHDFNKFKSHAGGACDCGDATVMKESGFCRFHGLDKVHNRPVPPDDLVAPLRCLLPSFLSALLYWLWEHGRDSDGLNFNEDDTPAISILHALHASGWVTQKMIADVMIDKAVYEKLIYETESRRACGDYQLSVSSNPEFEFPPIISNQNLVHQTLLDAFIFSTIKLRFPESLVTFLIGLLAVEEFKEEFIQSYLNHYTRIASTVLLSARARISPEWSLQMNNRIVHISVQLFSGEELALRVIKQRNLHHLLVHCLLNMLTCCRTRLDDRSNMVLSCDGILIQNNVFWPFVSDLSNLVSHKSIVDILVEDADFLSAWTKLIRYMQFMNCFTMKEGNHIEYETMTFYHAFTMEVEISSATMWNFWKHCRLPSERTHCLLYTKACLSTLADLLNGLGRLISPTVPETRPTRSALSLHLPLMRHVSCFLHLSTMQHGVNIRQLLVDYLLPKPRLLRRFMEHLVNILLGCHEVLIGYWIRNGQSVRQSVSHYMQSQFCYSFIDLDIFALQVCTALLPPAYFLNALVDQTKLLRGICFHDELLSLVSEPEVKNLDRKPIALQAWLTNLCFVLDLRNNLGLTEEELLQKELVSVLAPEPRKRSDLSILIPERCGIINPSNNLDSVLRKVATYSAPSCDETSGSLISGHYYLRPSLWHTDFDPIFHLLRVTSRRESSLAMEKYREHCRQRHGVTNMSSLWPPFHKPKQLPPDFRGLDHVLHSRHLHYIIFIQLSLFVYGDPLVTEESLAMIIHLIDRALDTPCRLPGNNRKTCTKIFMESQASKSSESNLPTSSLNNVNNYETGTKNLIEQKQTEEMDEIQQQQPLKPKDLIAEKSQNAFVDDFIMDWEKGRFEEVLEDTDSDRLDQIDYDDDDDDDEYGDDDVVDDDDNNSNETVAGVGSSDDRDLNELTIDSQRINNKQLRTKTRNYRSSHIWRRQPWSSLCPLPSTPSFSSSSNTTTATNPSPTNNRQKKFWDTSLINCPYQSRTSIQDNLNCWLMISNHNIPQVSCAQVMLASLPMNQGSDLNCTLSTVPVLSNNEIQNDSKNIMLDSIISLLIKAHARLYWSRIVGGADAIPKISFGGSLFTDPNLTAQQSGITDSSMSVTTTMPAVNVDGNNPIILGQDQVDGSWQDFLDVFPKHNTVVSNATTTTNNNCLTPRCMAVLMPNERHECSNLNNSSSPTASSSFASNNVNLNTSIIASLPPELRYFASSKPTYFLPEERNESTYRQESINAKKSYNFTSSLANNDDNSLTTTNDVCHFTNFGDGAYWIERLLDKIASLSENNKSAIKMYLARARSPYKQVIHLHTLQPMDVISSSSSSSNVVQQCQQKQQLTVSHNSNTMNSSKEVIGLNNETDVIFNIPFSSTNDGNNSSMNQNSSCLLTTSAVGTRDERKRAAQERRKRLIEQMTSKQKAFASTHLKDIESLNRQTVDRKEQLDNSEPLYECVICQISGRPSVDDMVLLDMICESNLMLQLRETAVIPTLYGRDLSHSSGYPPVLSETDDLSWLSPERPPVSGPLFQNSPLSNSTNSDNPSPVSGSSQAPAGIVGLPIHPITTNSSIKSHTERSSSPKPETLSGNKQSKHHSCYTEHRQWWSNAIPSLISKTLPLLHSGILLQTCGHVVHRECFQRYRTHGGNRSAATRHRSWIVCPLCRRDIHHLLPLVPLPKSGTFGNKQQLFPSVEYGQQNIAMLLSRLNSLSDTGSTFWNDLNCSEDELNVQRRILMSQLIGSNYEATILLRCQLECELSVLMSYPSQYSMVSRRCYWREFICYLRQIYKKSSDIKNLIQCLMIDEVIRSDNNDDNMFPVFALLQDPADILLGLLPHIWPHEGIFHTVLASTFCLAYIRALISVTFNRSTSSTCFNLVKQINRTKYLLGKISGVLRKHLENLLNYLSELNTSFTPSTSDDDNHHLNDTQRDQQCHSTESLEDTCPSSNKIEHILKVLYLASKLPDENFFNQSSPSSSPSTAASSSSLSSITATTPPSLPVEYDQNQIELHIILRVLPFLRIASLCWTRWHPDNVGTVKPLGLPFVGLLNKTTQKTNSHDQLSTKEFVSITPEQQLIEFSDLCRILSLDCGDSTVINVAQVGELAGRLCGLCSPNNNNAIECLIGRWIGQIKKVSSVHLTASSPTLLLSSSSPVCDVSSHINDNNNDVNQLSNIDHRNILTEVENVSSVSRGTPYVILHIAEYLRSLVEIGRQLCSPRLIRTPSSFDVLFNALHLVNCSSNQHRFQDNILCLICGRLLCSLCSNLATVVVEHTYMCGGFSGVVLEVNTSIVYVSLGSNICDWGSVYLDEYGEEDLELKRGKPLFLNAERFALLENQWITHSFRHVLKNWRSV
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low59.3Low111 Ų11192 Ų9255%0.54745%0.45SS..  082.30-106.7-165.287.800104.2I3 T49 L53M1-I3 HydrophobicContact CE-CD1 4.4Å; M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.12Å; M1-T49 HydrophobicContact CE-CG2 4.38Å; M1-L53 HydrophobicContact CE-CD2 3.96Å
2D47.2Very low61Low117 Ų11791.7 Ų91.763%0.62646%0.46SS*.  trans-98.390.4-152.8-46.3-65.4000104.8
3I55.9Low62.6Low30 Ų3091.5 Ų91.515%0.15446%0.457CS..  trans-91.2-22.7-178.5-65.3174000109.4M1 E5 I6 F8 F14 L53M1-I3 HydrophobicContact CE-CD1 4.4Å; M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.12Å; I3-E5 PolarHBondContact O-N 3.14Å; I3-E5 VanDerWaalsContact O-N 3.1Å; I3-I6 PolarHBondContact O-N 3.43Å; I3-F8 HydrophobicContact CG2-CE2 4.31Å; I3-F14 HydrophobicContact CG2-CE2 4.05Å; I3-L53 HydrophobicContact CD1-CD2 3.44Å; I3-L53 VanDerWaalsContact CD1-CD2 3.44Å
4D53.6Low64.1Low61 Ų6185.7 Ų85.733%0.32643%0.427SS..THydrogen-bonded Turntrans-69.5-4.2-174.5-59.6-62.9000114.8K69D4-K69 IonicContact OD1-NZ 2.88Å; D4-K69 PolarHBondContact OD1-NZ 3.01Å
5E53.9Low65.2Low176 Ų17680.4 Ų80.482%0.82240%0.401SS*.THydrogen-bonded Turntrans-96-4.6175.3-63.2-168.2149.600114.2I3I3-E5 PolarHBondContact O-N 3.14Å; I3-E5 VanDerWaalsContact O-N 3.1Å
6I59.8Low66.3Low64 Ų6485.7 Ų85.733%0.32842%0.421SS..  trans-118.4113.3-173.2-55.3178.4000111.2I3 F8 Y17I3-I6 PolarHBondContact O-N 3.43Å; I6-F8 HydrophobicContact CB-CE2 3.86Å; I6-F8 HydrophobicContact CB-CZ 3.9Å; I6-F8 HydrophobicContact CG2-CD1 4.28Å; I6-F8 HydrophobicContact CG2-CD2 4.25Å; I6-F8 HydrophobicContact CG2-CE1 3.8Å; I6-F8 HydrophobicContact CG2-CE2 3.75Å; I6-F8 HydrophobicContact CG2-CG 4.49Å; I6-F8 HydrophobicContact CG2-CZ 3.51Å; I6-F8 WeakPolarHBondContact O-CD2 3.26Å; I6-F8 WeakPolarHBondContact O-CE2 3.48Å; I6-F8 PolarHBondContact O-N 3.11Å; I6-Y17 HydrophobicContact CD1-CE2 3.74Å; I6-Y17 WeakPolarHBondContact CD1-OH 3.45Å
7E58.5Low67.4Low116 Ų11683.9 Ų83.954%0.54241%0.409SS..  trans-79.1108.4166.6-85.1-169.4130.200110.6R65 T66E7-R65 VanDerWaalsContact CG-O 3.25Å; E7-R65 WeakPolarHBondContact CG-O 3.29Å; E7-T66 HydrophobicContact CG-CG2 4.16Å
8F68.8Low68.2Low40 Ų4079.6 Ų79.618%0.17539%0.388CS..  trans-81.6137.8169.6-59.6-83.2000110.2I3 I6 E13 F14 Y17I3-F8 HydrophobicContact CG2-CE2 4.31Å; I6-F8 HydrophobicContact CB-CE2 3.86Å; I6-F8 HydrophobicContact CB-CZ 3.9Å; I6-F8 HydrophobicContact CG2-CD1 4.28Å; I6-F8 HydrophobicContact CG2-CD2 4.25Å; I6-F8 HydrophobicContact CG2-CE1 3.8Å; I6-F8 HydrophobicContact CG2-CE2 3.75Å; I6-F8 HydrophobicContact CG2-CG 4.49Å; I6-F8 HydrophobicContact CG2-CZ 3.51Å; I6-F8 WeakPolarHBondContact O-CD2 3.26Å; I6-F8 WeakPolarHBondContact O-CE2 3.48Å; I6-F8 PolarHBondContact O-N 3.11Å; F8-E13 HydrophobicContact CD1-CG 4.2Å; F8-F14 HydrophobicContact CB-CB 4.33Å; F8-F14 HydrophobicContact CD1-CB 4.17Å; F8-F14 HydrophobicContact CD1-CD2 4.5Å; F8-F14 HydrophobicContact CD2-CB 4.4Å; F8-F14 AromaticContact CD2-CD2 3.83Å; F8-F14 HydrophobicContact CD2-CD2 3.83Å; F8-F14 HydrophobicContact CE1-CD2 4.38Å; F8-F14 AromaticContact CE2-CD2 3.71Å; F8-F14 HydrophobicContact CE2-CD2 3.71Å; F8-F14 HydrophobicContact CE2-CE2 4.29Å; F8-F14 HydrophobicContact CG-CB 4.02Å; F8-F14 HydrophobicContact CG-CD2 4.24Å; F8-F14 AromaticContact CZ-CD2 4Å; F8-F14 HydrophobicContact CZ-CD2 4Å; F8-Y17 AromaticContact CE1-CD1 3.95Å; F8-Y17 HydrophobicContact CE1-CD1 3.95Å; F8-Y17 HydrophobicContact CE1-CD2 4.01Å; F8-Y17 AromaticContact CE1-CG 3.59Å; F8-Y17 HydrophobicContact CE1-CG 3.59Å; F8-Y17 AromaticContact CZ-CD1 3.6Å; F8-Y17 HydrophobicContact CZ-CD1 3.6Å; F8-Y17 HydrophobicContact CZ-CD2 4.18Å; F8-Y17 AromaticContact CZ-CE1 3.96Å; F8-Y17 HydrophobicContact CZ-CE1 3.96Å; F8-Y17 HydrophobicContact CZ-CE2 4.48Å; F8-Y17 AromaticContact CZ-CG 3.72Å; F8-Y17 HydrophobicContact CZ-CG 3.72Å
9K63.6Low69Low195 Ų19575.7 Ų75.785%0.84837%0.37SS*.SBendtrans-80.7-32.8179.6-79.1-174.9175.7179.10113.3E13K9-E13 PolarHBondContact N-OE2 3.24Å
10D71.7Confident69.6Low75 Ų7574.2 Ų74.240%0.40138%0.375SS..SBendtrans-142.3159.8177.368.346.7000112.7P12 E13 F14D10-P12 WeakPolarHBondContact OD1-CB 3.39Å; D10-P12 WeakPolarHBondContact OD1-CD 3.44Å; D10-E13 WeakPolarHBondContact O-CB 3.28Å; D10-E13 PolarHBondContact O-N 2.98Å; D10-E13 WeakPolarHBondContact OD1-CB 3.19Å; D10-E13 PolarHBondContact OD1-N 3.36Å; D10-F14 PolarHBondContact O-N 3.45Å
11P75.8Confident70.2Confident27 Ų2777 Ų7718%0.17538%0.381CS..Hα-helixtrans-63.9-35.8178.4-21.433.4000115.3E13 F14 V15 L71 K75P11-E13 VanDerWaalsContact C-N 3.31Å; P11-E13 PolarHBondContact O-N 2.74Å; P11-F14 PolarHBondContact O-N 2.85Å; P11-V15 WeakPolarHBondContact O-CG2 3.27Å; P11-V15 PolarHBondContact O-N 3.13Å; P11-L71 HydrophobicContact CG-CD2 4.06Å; P11-L71 HydrophobicContact CG-CG 3.95Å; P11-K75 HydrophobicContact CB-CB 3.63Å; P11-K75 HydrophobicContact CB-CG 3.88Å; P11-K75 HydrophobicContact CG-CB 4.39Å; P11-K75 HydrophobicContact CG-CG 4.12Å
12P80.2Confident72Confident88 Ų8874 Ų7457%0.57137%0.367SS*.Hα-helixtrans-53.9-41.4169.8-29.234.8000114.6D10 V15 K16D10-P12 WeakPolarHBondContact OD1-CB 3.39Å; D10-P12 WeakPolarHBondContact OD1-CD 3.44Å; P12-V15 PolarHBondContact O-N 3Å; P12-K16 WeakPolarHBondContact O-CB 3.37Å; P12-K16 PolarHBondContact O-N 2.65Å
13E81Confident73.9Confident90 Ų9076.1 Ų76.142%0.42138%0.378SS..Hα-helixtrans-62-43.4176.6-170.1177.5-129.700111.4F8 K9 D10 P11 K16 Y17F8-E13 HydrophobicContact CD1-CG 4.2Å; K9-E13 PolarHBondContact N-OE2 3.24Å; D10-E13 WeakPolarHBondContact O-CB 3.28Å; D10-E13 PolarHBondContact O-N 2.98Å; D10-E13 WeakPolarHBondContact OD1-CB 3.19Å; D10-E13 PolarHBondContact OD1-N 3.36Å; P11-E13 VanDerWaalsContact C-N 3.31Å; P11-E13 PolarHBondContact O-N 2.74Å; E13-K16 PolarHBondContact O-N 2.7Å; E13-Y17 WeakPolarHBondContact O-CB 3.27Å; E13-Y17 PolarHBondContact O-N 3.22Å
14F83.4Confident75.4Confident10 Ų1076.1 Ų76.14%0.04438%0.378CS..Hα-helixtrans-61.4-46.3174.2176.2-112.7000112.6I3 F8 D10 P11 K16 Y17 V18 C72 L76I3-F14 HydrophobicContact CG2-CE2 4.05Å; F8-F14 HydrophobicContact CB-CB 4.33Å; F8-F14 HydrophobicContact CD1-CB 4.17Å; F8-F14 HydrophobicContact CD1-CD2 4.5Å; F8-F14 HydrophobicContact CD2-CB 4.4Å; F8-F14 AromaticContact CD2-CD2 3.83Å; F8-F14 HydrophobicContact CD2-CD2 3.83Å; F8-F14 HydrophobicContact CE1-CD2 4.38Å; F8-F14 AromaticContact CE2-CD2 3.71Å; F8-F14 HydrophobicContact CE2-CD2 3.71Å; F8-F14 HydrophobicContact CE2-CE2 4.29Å; F8-F14 HydrophobicContact CG-CB 4.02Å; F8-F14 HydrophobicContact CG-CD2 4.24Å; F8-F14 AromaticContact CZ-CD2 4Å; F8-F14 HydrophobicContact CZ-CD2 4Å; D10-F14 PolarHBondContact O-N 3.45Å; P11-F14 PolarHBondContact O-N 2.85Å; F14-K16 VanDerWaalsContact C-N 3.33Å; F14-K16 PolarHBondContact O-N 2.8Å; F14-Y17 WeakPolarHBondContact O-CB 3.46Å; F14-Y17 PolarHBondContact O-N 3.12Å; F14-V18 HydrophobicContact CE1-CG2 4.46Å; F14-V18 HydrophobicContact CE2-CG2 4.18Å; F14-V18 HydrophobicContact CZ-CG2 4.12Å; F14-V18 WeakPolarHBondContact O-CG2 3.28Å; F14-V18 PolarHBondContact O-N 2.86Å; F14-C72 HydrophobicContact CB-CB 4.19Å; F14-C72 HydrophobicContact CD1-CB 3.72Å; F14-C72 HydrophobicContact CE1-CB 4.23Å; F14-C72 HydrophobicContact CG-CB 3.93Å; F14-L76 HydrophobicContact CD1-CB 4.41Å; F14-L76 HydrophobicContact CE1-CB 4.05Å; F14-L76 HydrophobicContact CE1-CD2 3.84Å; F14-L76 HydrophobicContact CZ-CD2 4.38Å
15V81.5Confident77Confident6 Ų676.5 Ų76.54%0.03638%0.382CS..Hα-helixtrans-62.8-41.4177177.80000110.8P11 P12 Y17 V18 C19 K26 L76 Y79P11-V15 WeakPolarHBondContact O-CG2 3.27Å; P11-V15 PolarHBondContact O-N 3.13Å; P12-V15 PolarHBondContact O-N 3Å; V15-Y17 PolarHBondContact O-N 2.72Å; V15-V18 PolarHBondContact O-N 3.49Å; V15-C19 PolarHBondContact O-N 3.16Å; V15-C19 VanDerWaalsContact O-N 3.08Å; V15-C19 PolarHBondContact O-SG 3.49Å; V15-K26 HydrophobicContact CG1-CG 4.31Å; V15-L76 HydrophobicContact CG1-CD1 4.35Å; V15-L76 HydrophobicContact CG2-CB 4.28Å; V15-L76 HydrophobicContact CG2-CD1 4.06Å; V15-Y79 HydrophobicContact CG1-CD1 3.85Å; V15-Y79 HydrophobicContact CG1-CE1 4.32Å; V15-Y79 HydrophobicContact CG1-CG 4.46Å
16K83Confident78.4Confident165 Ų16572 Ų7272%0.71736%0.36SS*.Hα-helixtrans-63.4-39.3176.4-173.8177.6-179.9-177.50112.1P12 E13 F14 C19 G20P12-K16 WeakPolarHBondContact O-CB 3.37Å; P12-K16 PolarHBondContact O-N 2.65Å; E13-K16 PolarHBondContact O-N 2.7Å; F14-K16 VanDerWaalsContact C-N 3.33Å; F14-K16 PolarHBondContact O-N 2.8Å; K16-C19 PolarHBondContact O-N 3.49Å; K16-G20 PolarHBondContact O-N 3.29Å
17Y83.7Confident79.6Confident55 Ų5573 Ų7322%0.21636%0.363CS..Hα-helixtrans-62.6-43.1174.1173.6-94.3000112.3I6 F8 E13 F14 V15 G20 R21I6-Y17 HydrophobicContact CD1-CE2 3.74Å; I6-Y17 WeakPolarHBondContact CD1-OH 3.45Å; F8-Y17 AromaticContact CE1-CD1 3.95Å; F8-Y17 HydrophobicContact CE1-CD1 3.95Å; F8-Y17 HydrophobicContact CE1-CD2 4.01Å; F8-Y17 AromaticContact CE1-CG 3.59Å; F8-Y17 HydrophobicContact CE1-CG 3.59Å; F8-Y17 AromaticContact CZ-CD1 3.6Å; F8-Y17 HydrophobicContact CZ-CD1 3.6Å; F8-Y17 HydrophobicContact CZ-CD2 4.18Å; F8-Y17 AromaticContact CZ-CE1 3.96Å; F8-Y17 HydrophobicContact CZ-CE1 3.96Å; F8-Y17 HydrophobicContact CZ-CE2 4.48Å; F8-Y17 AromaticContact CZ-CG 3.72Å; F8-Y17 HydrophobicContact CZ-CG 3.72Å; E13-Y17 WeakPolarHBondContact O-CB 3.27Å; E13-Y17 PolarHBondContact O-N 3.22Å; F14-Y17 WeakPolarHBondContact O-CB 3.46Å; F14-Y17 PolarHBondContact O-N 3.12Å; V15-Y17 PolarHBondContact O-N 2.72Å; Y17-G20 PolarHBondContact O-N 2.94Å; Y17-R21 HydrophobicContact CE1-CG 4.18Å; Y17-R21 WeakPolarHBondContact O-CB 3.48Å; Y17-R21 PolarHBondContact O-N 3.05Å; Y17-R21 PolarHBondContact OH-NH1 2.95Å; Y17-R21 PolarHBondContact OH-NH2 3.34Å
18V82.6Confident80.9Confident7 Ų772.2 Ų72.24%0.04236%0.36CS..Hα-helixtrans-61.8-45.3176.1170.90000111.6F14 V15 R21 F29 L53F14-V18 HydrophobicContact CE1-CG2 4.46Å; F14-V18 HydrophobicContact CE2-CG2 4.18Å; F14-V18 HydrophobicContact CZ-CG2 4.12Å; F14-V18 WeakPolarHBondContact O-CG2 3.28Å; F14-V18 PolarHBondContact O-N 2.86Å; V15-V18 PolarHBondContact O-N 3.49Å; V18-R21 PolarHBondContact O-N 2.85Å; V18-F29 HydrophobicContact CG1-CE1 4.01Å; V18-F29 HydrophobicContact CG1-CE2 4.3Å; V18-F29 HydrophobicContact CG1-CZ 3.68Å; V18-L53 HydrophobicContact CG1-CD1 3.69Å; V18-L53 HydrophobicContact CG2-CD1 4.19Å
19C83Confident81.9Confident5 Ų570.3 Ų70.33%0.03435%0.351CS..Hα-helixtrans-63.6-45.3177.4-560000111.4V15 K16 R21 L22 N23 M24 F29V15-C19 PolarHBondContact O-N 3.16Å; V15-C19 VanDerWaalsContact O-N 3.08Å; V15-C19 PolarHBondContact O-SG 3.49Å; K16-C19 PolarHBondContact O-N 3.49Å; C19-R21 VanDerWaalsContact C-N 3.32Å; C19-R21 PolarHBondContact O-N 3.5Å; C19-L22 PolarHBondContact O-N 2.91Å; C19-N23 PolarHBondContact O-N 2.89Å; C19-M24 CarbonylContact C-O 3.54Å; C19-M24 WeakPolarHBondContact CB-O 3.33Å; C19-M24 PolarHBondContact O-N 3.04Å; C19-M24 VanDerWaalsContact O-N 3.16Å; C19-F29 VanDerWaalsContact SG-CD1 3.52Å
20G81.8Confident83.1Confident45 Ų4562.9 Ų62.946%0.46432%0.318SS..Hα-helixtrans-62.1-34.9176.600000113.6K16 Y17 L22 N23K16-G20 PolarHBondContact O-N 3.29Å; Y17-G20 PolarHBondContact O-N 2.94Å; G20-L22 PolarHBondContact O-N 2.87Å; G20-N23 PolarHBondContact O-N 3.09Å; G20-N23 VanDerWaalsContact O-N 3.15Å
21R81.1Confident83.9Confident135 Ų13562.8 Ų62.851%0.50932%0.317SS..THydrogen-bonded Turntrans-64.5-15.2173.1-102.7-82.9175.976-2.8113.9Y17 V18 C19Y17-R21 HydrophobicContact CE1-CG 4.18Å; Y17-R21 WeakPolarHBondContact O-CB 3.48Å; Y17-R21 PolarHBondContact O-N 3.05Å; Y17-R21 PolarHBondContact OH-NH1 2.95Å; Y17-R21 PolarHBondContact OH-NH2 3.34Å; V18-R21 PolarHBondContact O-N 2.85Å; C19-R21 VanDerWaalsContact C-N 3.32Å; C19-R21 PolarHBondContact O-N 3.5Å
22L82.2Confident84.6Confident47 Ų4766.1 Ų66.125%0.24633%0.331CS..THydrogen-bonded Turntrans-105.8-1.7175.9-71.9168.4000113.4C19 G20 M24 F29 T49C19-L22 PolarHBondContact O-N 2.91Å; G20-L22 PolarHBondContact O-N 2.87Å; L22-M24 HydrophobicContact CB-CB 4.41Å; L22-M24 HydrophobicContact CB-CG 3.85Å; L22-M24 HydrophobicContact CB-SD 3.91Å; L22-M24 HydrophobicContact CD1-SD 4.22Å; L22-M24 PolarHBondContact O-N 2.93Å; L22-F29 HydrophobicContact CD1-CD2 3.43Å; L22-F29 VanDerWaalsContact CD1-CD2 3.43Å; L22-F29 HydrophobicContact CD1-CE2 3.42Å; L22-F29 VanDerWaalsContact CD1-CE2 3.42Å; L22-F29 HydrophobicContact CD1-CZ 4.48Å; L22-T49 HydrophobicContact CD1-CG2 4.29Å; L22-T49 HydrophobicContact CD2-CG2 4.15Å
23N85.7Confident85.2Confident162 Ų16262 Ų6287%0.86630%0.304SS*.THydrogen-bonded Turntrans56.132.4-168-69.5-19.8000114C19 G20C19-N23 PolarHBondContact O-N 2.89Å; G20-N23 PolarHBondContact O-N 3.09Å; G20-N23 VanDerWaalsContact O-N 3.15Å
24M87.4Confident85.7Confident29 Ų2960.6 Ų60.614%0.14330%0.295CS..  trans-112.8150.7-180-57.6177.789.600111.3C19 L22 E28 F29 E32 V46C19-M24 CarbonylContact C-O 3.54Å; C19-M24 WeakPolarHBondContact CB-O 3.33Å; C19-M24 PolarHBondContact O-N 3.04Å; C19-M24 VanDerWaalsContact O-N 3.16Å; L22-M24 HydrophobicContact CB-CB 4.41Å; L22-M24 HydrophobicContact CB-CG 3.85Å; L22-M24 HydrophobicContact CB-SD 3.91Å; L22-M24 HydrophobicContact CD1-SD 4.22Å; L22-M24 PolarHBondContact O-N 2.93Å; M24-E28 HydrophobicContact CB-CB 4.36Å; M24-E28 HydrophobicContact CE-CB 4.04Å; M24-F29 HydrophobicContact CB-CB 4.08Å; M24-F29 HydrophobicContact SD-CB 4.13Å; M24-F29 HydrophobicContact SD-CD2 4.25Å; M24-E32 HydrophobicContact CE-CB 4.05Å; M24-E32 HydrophobicContact CE-CG 3.88Å; M24-E32 WeakPolarHBondContact CE-OE1 3.37Å; M24-V46 HydrophobicContact CE-CG2 3.82Å; M24-V46 HydrophobicContact SD-CG2 3.64Å
25T87.2Confident86.1Confident69 Ų6965.6 Ų65.642%0.42332%0.318SS..  trans-67.516916162.70000111E27 E28 F29T25-E27 VanDerWaalsContact C-N 3.29Å; T25-E27 PolarHBondContact O-N 3.16Å; T25-E28 VanDerWaalsContact CB-OE2 3.25Å; T25-E28 WeakPolarHBondContact CB-OE2 3.17Å; T25-E28 VanDerWaalsContact CG2-OE2 3.29Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.43Å; T25-E28 PolarHBondContact N-OE2 2.94Å; T25-E28 WeakPolarHBondContact OG1-CB 3.25Å; T25-E28 WeakPolarHBondContact OG1-CG 3.4Å; T25-E28 PolarHBondContact OG1-N 3.34Å; T25-E28 PolarHBondContact OG1-OE2 3.33Å; T25-F29 WeakPolarHBondContact O-CB 3.36Å; T25-F29 PolarHBondContact O-N 3.33Å; T25-F29 VanDerWaalsContact O-N 3.13Å
26K84Confident86.7Confident82 Ų8265.5 Ų65.536%0.35732%0.318SS..Hα-helixtrans-68.6-34.3-178.4-149.2-155.6179.6-159.10111.5V15 R30 Y79V15-K26 HydrophobicContact CG1-CG 4.31Å; K26-R30 PolarHBondContact O-N 3.27Å; K26-Y79 VanDerWaalsContact C-OH 3.32Å; K26-Y79 HydrophobicContact CD-CE1 3.99Å; K26-Y79 HydrophobicContact CD-CE2 3.93Å; K26-Y79 VanDerWaalsContact CE-CE2 3.49Å; K26-Y79 VanDerWaalsContact CE-CZ 3.43Å; K26-Y79 HydrophobicContact CG-CE1 3.74Å; K26-Y79 WeakPolarHBondContact CG-OH 3.25Å; K26-Y79 PolarHBondContact O-OH 3.34Å
27E84.4Confident87.1Confident85 Ų8558 Ų5840%0.39729%0.286SS..Hα-helixtrans-64.9-60.7173.7-7162.8-146.700110.6T25 F29 R30 D31 N84T25-E27 VanDerWaalsContact C-N 3.29Å; T25-E27 PolarHBondContact O-N 3.16Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 PolarHBondContact O-N 3.23Å; E27-R30 PolarHBondContact O-N 3.13Å; E27-D31 PolarHBondContact O-N 3.4Å; E27-N84 PolarHBondContact OE1-ND2 3.4Å
28E87.7Confident87.6Confident100 Ų10057.8 Ų57.847%0.46729%0.29SS..Hα-helixtrans-55.6-45.3-177.4-69159148.800111.9M24 T25 R30 D31 E32M24-E28 HydrophobicContact CB-CB 4.36Å; M24-E28 HydrophobicContact CE-CB 4.04Å; T25-E28 VanDerWaalsContact CB-OE2 3.25Å; T25-E28 WeakPolarHBondContact CB-OE2 3.17Å; T25-E28 VanDerWaalsContact CG2-OE2 3.29Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.43Å; T25-E28 PolarHBondContact N-OE2 2.94Å; T25-E28 WeakPolarHBondContact OG1-CB 3.25Å; T25-E28 WeakPolarHBondContact OG1-CG 3.4Å; T25-E28 PolarHBondContact OG1-N 3.34Å; T25-E28 PolarHBondContact OG1-OE2 3.33Å; E28-R30 VanDerWaalsContact C-N 3.29Å; E28-R30 PolarHBondContact O-N 3.05Å; E28-D31 PolarHBondContact O-N 2.76Å; E28-E32 WeakPolarHBondContact O-CB 3.34Å; E28-E32 PolarHBondContact O-N 2.99Å
29F89.3Confident88Confident0 Ų061.4 Ų61.40%031%0.31CS..Hα-helixtrans-58.5-39.9177.6170.8-119.1000112.8V18 C19 L22 M24 T25 E27 F33 V46 V50 L76 L80V18-F29 HydrophobicContact CG1-CE1 4.01Å; V18-F29 HydrophobicContact CG1-CE2 4.3Å; V18-F29 HydrophobicContact CG1-CZ 3.68Å; C19-F29 VanDerWaalsContact SG-CD1 3.52Å; L22-F29 HydrophobicContact CD1-CD2 3.43Å; L22-F29 VanDerWaalsContact CD1-CD2 3.43Å; L22-F29 HydrophobicContact CD1-CE2 3.42Å; L22-F29 VanDerWaalsContact CD1-CE2 3.42Å; L22-F29 HydrophobicContact CD1-CZ 4.48Å; M24-F29 HydrophobicContact CB-CB 4.08Å; M24-F29 HydrophobicContact SD-CB 4.13Å; M24-F29 HydrophobicContact SD-CD2 4.25Å; T25-F29 WeakPolarHBondContact O-CB 3.36Å; T25-F29 PolarHBondContact O-N 3.33Å; T25-F29 VanDerWaalsContact O-N 3.13Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 PolarHBondContact O-N 3.23Å; F29-F33 VanDerWaalsContact O-CB 3.28Å; F29-F33 WeakPolarHBondContact O-CB 3.45Å; F29-F33 PolarHBondContact O-N 3.02Å; F29-V46 HydrophobicContact CD2-CG1 3.85Å; F29-V46 HydrophobicContact CE2-CG1 3.93Å; F29-V50 HydrophobicContact CE2-CG2 3.74Å; F29-V50 HydrophobicContact CZ-CG2 3.72Å; F29-L76 HydrophobicContact CE1-CD1 4.21Å; F29-L80 HydrophobicContact CD1-CD2 4.42Å; F29-L80 HydrophobicContact CE1-CD2 3.78Å; F29-L80 HydrophobicContact CZ-CD2 4.06Å
30R88.1Confident88.3Confident38 Ų3862.7 Ų62.714%0.14332%0.324CS..Hα-helixtrans-75.5-40.6178.7178.5-86.1-176167.23.4111.4K26 E27 E28 F33 R34 Y79 S82K26-R30 PolarHBondContact O-N 3.27Å; E27-R30 PolarHBondContact O-N 3.13Å; E28-R30 VanDerWaalsContact C-N 3.29Å; E28-R30 PolarHBondContact O-N 3.05Å; R30-F33 PolarHBondContact O-N 3.29Å; R30-R34 VanDerWaalsContact O-CB 3.28Å; R30-R34 WeakPolarHBondContact O-CB 3.36Å; R30-R34 PolarHBondContact O-N 3.44Å; R30-Y79 HydrophobicContact CB-CE1 3.95Å; R30-Y79 HydrophobicContact CG-CE1 4.4Å; R30-S82 PolarHBondContact NH2-O 2.62Å
31D89Confident88.8Confident73 Ų7365.7 Ų65.739%0.3933%0.326SS..Hα-helixtrans-77.7-38.1-174.1-73.3-21.8000112.3E27 E28 F33 R34 E35E27-D31 PolarHBondContact O-N 3.4Å; E28-D31 PolarHBondContact O-N 2.76Å; D31-F33 VanDerWaalsContact C-N 3.35Å; D31-F33 PolarHBondContact O-N 2.75Å; D31-R34 PolarHBondContact O-N 2.89Å; D31-E35 WeakPolarHBondContact O-CB 3.25Å; D31-E35 PolarHBondContact O-N 2.8Å
32E90.3Very high89.1Confident98 Ų9863.7 Ų63.746%0.45832%0.321SS..Hα-helixtrans-62.8-39.9167.3-81.2-166-151.300111.9M24 E28 R34 E35 A36 V46M24-E32 HydrophobicContact CE-CB 4.05Å; M24-E32 HydrophobicContact CE-CG 3.88Å; M24-E32 WeakPolarHBondContact CE-OE1 3.37Å; E28-E32 WeakPolarHBondContact O-CB 3.34Å; E28-E32 PolarHBondContact O-N 2.99Å; E32-R34 VanDerWaalsContact C-N 3.33Å; E32-R34 PolarHBondContact O-N 2.86Å; E32-E35 PolarHBondContact O-N 2.87Å; E32-A36 VanDerWaalsContact O-CB 3.27Å; E32-A36 WeakPolarHBondContact O-CB 3.4Å; E32-A36 PolarHBondContact O-N 3.3Å; E32-V46 HydrophobicContact CB-CG2 4.12Å; E32-V46 VanDerWaalsContact OE2-CG2 3.25Å; E32-V46 WeakPolarHBondContact OE2-CG2 3.23Å
33F92.5Very high89.2Confident1 Ų169 Ų690%0.00435%0.35CS..Hα-helixtrans-62.8-42.8175.5179.5-106.8000111.4F29 R30 D31 A36 C37 V46 F47 V50 L80 P188 L192F29-F33 VanDerWaalsContact O-CB 3.28Å; F29-F33 WeakPolarHBondContact O-CB 3.45Å; F29-F33 PolarHBondContact O-N 3.02Å; R30-F33 PolarHBondContact O-N 3.29Å; D31-F33 VanDerWaalsContact C-N 3.35Å; D31-F33 PolarHBondContact O-N 2.75Å; F33-A36 PolarHBondContact O-N 3.25Å; F33-C37 WeakPolarHBondContact CZ-SG 3.43Å; F33-C37 PolarHBondContact O-N 3.48Å; F33-C37 PolarHBondContact O-SG 2.71Å; F33-V46 HydrophobicContact CB-CG1 3.8Å; F33-V46 HydrophobicContact CD2-CG1 4.44Å; F33-F47 HydrophobicContact CD2-CD2 4Å; F33-F47 AromaticContact CE2-CD2 3.47Å; F33-F47 HydrophobicContact CE2-CD2 3.47Å; F33-F47 VanDerWaalsContact CE2-CD2 3.47Å; F33-F47 AromaticContact CE2-CE2 3.84Å; F33-F47 HydrophobicContact CE2-CE2 3.84Å; F33-F47 HydrophobicContact CE2-CG 4.24Å; F33-F47 HydrophobicContact CZ-CD2 4.31Å; F33-F47 HydrophobicContact CZ-CE2 4.27Å; F33-V50 HydrophobicContact CD2-CB 3.94Å; F33-V50 HydrophobicContact CD2-CG1 4.11Å; F33-V50 HydrophobicContact CD2-CG2 3.74Å; F33-V50 HydrophobicContact CE2-CB 3.73Å; F33-V50 HydrophobicContact CE2-CG1 3.56Å; F33-V50 HydrophobicContact CE2-CG2 4.05Å; F33-V50 HydrophobicContact CG-CG2 4.33Å; F33-V50 HydrophobicContact CZ-CG1 3.85Å; F33-L80 HydrophobicContact CB-CD2 4.44Å; F33-L80 HydrophobicContact CD1-CB 4.38Å; F33-L80 HydrophobicContact CD1-CD2 3.85Å; F33-L80 HydrophobicContact CE1-CB 4.33Å; F33-L80 HydrophobicContact CE1-CD2 4.44Å; F33-L80 HydrophobicContact CG-CD2 4.19Å; F33-P188 HydrophobicContact CE1-CB 4.12Å; F33-L192 HydrophobicContact CE1-CD1 3.85Å; F33-L192 HydrophobicContact CE1-CD2 4.4Å; F33-L192 HydrophobicContact CE1-CG 4.1Å; F33-L192 HydrophobicContact CZ-CD1 4.01Å; F33-L192 HydrophobicContact CZ-CD2 3.72Å; F33-L192 HydrophobicContact CZ-CG 3.78Å
34R92.3Very high89.4Confident61 Ų6162.5 Ų62.523%0.2332%0.316CS..Hα-helixtrans-63.4-47.9177.2179.9-177.6-171.9-105.88.7111.6R30 D31 E32 A36 C37 V38 D184 P188R30-R34 VanDerWaalsContact O-CB 3.28Å; R30-R34 WeakPolarHBondContact O-CB 3.36Å; R30-R34 PolarHBondContact O-N 3.44Å; D31-R34 PolarHBondContact O-N 2.89Å; E32-R34 VanDerWaalsContact C-N 3.33Å; E32-R34 PolarHBondContact O-N 2.86Å; R34-A36 VanDerWaalsContact C-N 3.34Å; R34-A36 PolarHBondContact O-N 2.62Å; R34-C37 WeakPolarHBondContact O-CB 3.29Å; R34-C37 PolarHBondContact O-N 3.13Å; R34-C37 VanDerWaalsContact O-N 3.16Å; R34-V38 WeakPolarHBondContact O-CG2 3.44Å; R34-V38 PolarHBondContact O-N 3.35Å; R34-D184 VanDerWaalsContact CZ-CG 3.41Å; R34-D184 VanDerWaalsContact CZ-O 3.26Å; R34-D184 IonicContact CZ-OD1 3.27Å; R34-D184 IonicContact CZ-OD2 3.43Å; R34-D184 PolarHBondContact NE-O 2.81Å; R34-D184 VanDerWaalsContact NE-O 3.12Å; R34-D184 IonicContact NH1-OD1 2.84Å; R34-D184 PolarHBondContact NH1-OD1 3.34Å; R34-D184 IonicContact NH1-OD2 3.43Å; R34-D184 PolarHBondContact NH1-OD2 3.08Å; R34-D184 PolarHBondContact NH2-O 3.48Å; R34-D184 IonicContact NH2-OD1 2.66Å; R34-D184 IonicContact NH2-OD2 3Å; R34-D184 PolarHBondContact NH2-OD2 3.03Å; R34-P188 HydrophobicContact CB-CG 4.32Å; R34-P188 HydrophobicContact CG-CG 4.06Å
35E91.6Very high89.3Confident114 Ų11466 Ų6653%0.53334%0.341SS..Hα-helixtrans-61.1-43.7176.8-172.4-179.5162.700111.1D31 E32 C37 V38 N39D31-E35 WeakPolarHBondContact O-CB 3.25Å; D31-E35 PolarHBondContact O-N 2.8Å; E32-E35 PolarHBondContact O-N 2.87Å; E35-C37 VanDerWaalsContact C-N 3.28Å; E35-C37 PolarHBondContact O-N 3.27Å; E35-V38 PolarHBondContact O-N 3.27Å; E35-N39 VanDerWaalsContact CG-ND2 3.26Å; E35-N39 WeakPolarHBondContact CG-ND2 3.28Å; E35-N39 WeakPolarHBondContact O-CB 3.49Å; E35-N39 PolarHBondContact O-N 3.15Å; E35-N39 PolarHBondContact OE1-ND2 2.89Å
36A92.8Very high89.4Confident4 Ų462.9 Ų62.93%0.03332%0.322CS..Hα-helixtrans-61.9-34175.400000112.9E32 F33 R34 G40 H41 F47E32-A36 VanDerWaalsContact O-CB 3.27Å; E32-A36 WeakPolarHBondContact O-CB 3.4Å; E32-A36 PolarHBondContact O-N 3.3Å; F33-A36 PolarHBondContact O-N 3.25Å; R34-A36 VanDerWaalsContact C-N 3.34Å; R34-A36 PolarHBondContact O-N 2.62Å; A36-G40 CarbonylContact O-C 3.5Å; A36-G40 WeakPolarHBondContact O-CA 3.21Å; A36-G40 PolarHBondContact O-N 3.15Å; A36-G40 VanDerWaalsContact O-N 3.14Å; A36-H41 HydrophobicContact CB-CB 4.31Å; A36-H41 PolarHBondContact O-N 3.44Å; A36-F47 HydrophobicContact CB-CB 4.21Å; A36-F47 HydrophobicContact CB-CD2 4.44Å
37C93.3Very high89.7Confident8 Ų859.7 Ų59.75%0.05431%0.308CS..Hα-helixtrans-70.7-41.5173.3-67.80000113.1F33 R34 E35 A187 P188F33-C37 WeakPolarHBondContact CZ-SG 3.43Å; F33-C37 PolarHBondContact O-N 3.48Å; F33-C37 PolarHBondContact O-SG 2.71Å; R34-C37 WeakPolarHBondContact O-CB 3.29Å; R34-C37 PolarHBondContact O-N 3.13Å; R34-C37 VanDerWaalsContact O-N 3.16Å; E35-C37 VanDerWaalsContact C-N 3.28Å; E35-C37 PolarHBondContact O-N 3.27Å; C37-A187 HydrophobicContact CB-CB 3.98Å; C37-P188 HydrophobicContact CB-CG 4.41Å
38V92.4Very high89.8Confident50 Ų5057.5 Ų57.530%0.30330%0.302SS..Hα-helixtrans-72.7-43.1-178.1172.50000111.4R34 E35 A187R34-V38 WeakPolarHBondContact O-CG2 3.44Å; R34-V38 PolarHBondContact O-N 3.35Å; E35-V38 PolarHBondContact O-N 3.27Å; V38-A187 HydrophobicContact CG2-CB 3.93Å
39N92.7Very high89.8Confident84 Ų8453.9 Ų53.945%0.44929%0.287SS..THydrogen-bonded Turntrans-85.9-3.7-179.1-66.7-23.4000113.7E35 H41E35-N39 VanDerWaalsContact CG-ND2 3.26Å; E35-N39 WeakPolarHBondContact CG-ND2 3.28Å; E35-N39 WeakPolarHBondContact O-CB 3.49Å; E35-N39 PolarHBondContact O-N 3.15Å; E35-N39 PolarHBondContact OE1-ND2 2.89Å; N39-H41 VanDerWaalsContact C-N 3.31Å; N39-H41 PolarHBondContact O-N 2.94Å
40G88.5Confident89.8Confident32 Ų3253.9 Ų53.933%0.3329%0.287SS..THydrogen-bonded Turntrans71.918.6-179.400000115A36 F42A36-G40 CarbonylContact O-C 3.5Å; A36-G40 WeakPolarHBondContact O-CA 3.21Å; A36-G40 PolarHBondContact O-N 3.15Å; A36-G40 VanDerWaalsContact O-N 3.14Å; G40-F42 WeakPolarHBondContact O-CD2 3.43Å; G40-F42 PolarHBondContact O-N 2.98Å
41H91.8Very high89.8Confident108 Ų10858.5 Ų58.550%0.531%0.305SS..  trans-77.459-179.4-60158.5000112.2A36 N39 D43 S44A36-H41 HydrophobicContact CB-CB 4.31Å; A36-H41 PolarHBondContact O-N 3.44Å; N39-H41 VanDerWaalsContact C-N 3.31Å; N39-H41 PolarHBondContact O-N 2.94Å; H41-D43 PolarHBondContact O-N 3.33Å; H41-D43 VanDerWaalsContact O-N 3.09Å; H41-S44 WeakPolarHBondContact O-CB 3.08Å; H41-S44 PolarHBondContact O-N 3.47Å
42F87.5Confident89.6Confident92 Ų9260.4 Ų60.440%0.40431%0.31SS..THydrogen-bonded Turntrans-66.1-11.9-172.8-53.8-47.4000115.1G40 F47G40-F42 WeakPolarHBondContact O-CD2 3.43Å; G40-F42 PolarHBondContact O-N 2.98Å; F42-F47 HydrophobicContact CB-CD1 3.99Å; F42-F47 HydrophobicContact CB-CE1 3.88Å; F42-F47 HydrophobicContact CB-CZ 4.45Å; F42-F47 HydrophobicContact CD1-CD1 4.26Å; F42-F47 HydrophobicContact CD1-CD2 4.16Å; F42-F47 AromaticContact CD1-CE1 3.76Å; F42-F47 HydrophobicContact CD1-CE1 3.76Å; F42-F47 AromaticContact CD1-CE2 3.66Å; F42-F47 HydrophobicContact CD1-CE2 3.66Å; F42-F47 HydrophobicContact CD1-CG 4.44Å; F42-F47 AromaticContact CD1-CZ 3.44Å; F42-F47 HydrophobicContact CD1-CZ 3.44Å; F42-F47 VanDerWaalsContact CD1-CZ 3.44Å; F42-F47 HydrophobicContact CE1-CE2 4.13Å; F42-F47 HydrophobicContact CE1-CZ 4.07Å; F42-F47 HydrophobicContact CG-CE1 4.17Å; F42-F47 HydrophobicContact CG-CZ 4.26Å; F42-F47 WeakPolarHBondContact O-CD1 3.46Å
43D85.5Confident89.5Confident160 Ų16056.7 Ų56.786%0.85629%0.293SS*.THydrogen-bonded Turntrans-88.1-0.9174.4-63.4-48.6000113.5H41H41-D43 PolarHBondContact O-N 3.33Å; H41-D43 VanDerWaalsContact O-N 3.09Å
44S88.4Confident89.4Confident24 Ų2456.7 Ų56.717%0.16829%0.293CS..SBendtrans-60.7148.5-179.1880000112H41 V46 F47 S48H41-S44 WeakPolarHBondContact O-CB 3.08Å; H41-S44 PolarHBondContact O-N 3.47Å; S44-V46 PolarHBondContact O-N 3.42Å; S44-F47 PolarHBondContact O-N 2.87Å; S44-F47 WeakPolarHBondContact OG-CB 3.21Å; S44-F47 PolarHBondContact OG-N 3.34Å; S44-S48 WeakPolarHBondContact O-CB 3.39Å; S44-S48 PolarHBondContact O-N 3.15Å
45P86Confident89.3Confident102 Ų10259.1 Ų59.166%0.66230%0.302SS*.Hα-helixtrans-56.8-37.5179.9-26.235.3000113T49P45-T49 WeakPolarHBondContact O-CB 3.18Å; P45-T49 PolarHBondContact O-N 2.84Å; P45-T49 PolarHBondContact O-OG1 3.16Å
46V89.1Confident89.2Confident4 Ų454.3 Ų54.32%0.02428%0.279CS..Hα-helixtrans-67.3-53.2176.1178.80000111M24 F29 E32 F33 S44 S48 T49 V50M24-V46 HydrophobicContact CE-CG2 3.82Å; M24-V46 HydrophobicContact SD-CG2 3.64Å; F29-V46 HydrophobicContact CD2-CG1 3.85Å; F29-V46 HydrophobicContact CE2-CG1 3.93Å; E32-V46 HydrophobicContact CB-CG2 4.12Å; E32-V46 VanDerWaalsContact OE2-CG2 3.25Å; E32-V46 WeakPolarHBondContact OE2-CG2 3.23Å; F33-V46 HydrophobicContact CB-CG1 3.8Å; F33-V46 HydrophobicContact CD2-CG1 4.44Å; S44-V46 PolarHBondContact O-N 3.42Å; V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 PolarHBondContact O-N 2.73Å; V46-T49 PolarHBondContact O-N 3.25Å; V46-V50 HydrophobicContact CG1-CG2 4.46Å; V46-V50 WeakPolarHBondContact O-CG2 3.34Å; V46-V50 PolarHBondContact O-N 3.22Å
47F90.3Very high88.9Confident15 Ų1557.3 Ų57.37%0.06629%0.292CS..Hα-helixtrans-62.4-41.5-179.8-167.9-81.7000111.6F33 A36 F42 S44 T49 V50 R51 C191F33-F47 HydrophobicContact CD2-CD2 4Å; F33-F47 AromaticContact CE2-CD2 3.47Å; F33-F47 HydrophobicContact CE2-CD2 3.47Å; F33-F47 VanDerWaalsContact CE2-CD2 3.47Å; F33-F47 AromaticContact CE2-CE2 3.84Å; F33-F47 HydrophobicContact CE2-CE2 3.84Å; F33-F47 HydrophobicContact CE2-CG 4.24Å; F33-F47 HydrophobicContact CZ-CD2 4.31Å; F33-F47 HydrophobicContact CZ-CE2 4.27Å; A36-F47 HydrophobicContact CB-CB 4.21Å; A36-F47 HydrophobicContact CB-CD2 4.44Å; F42-F47 HydrophobicContact CB-CD1 3.99Å; F42-F47 HydrophobicContact CB-CE1 3.88Å; F42-F47 HydrophobicContact CB-CZ 4.45Å; F42-F47 HydrophobicContact CD1-CD1 4.26Å; F42-F47 HydrophobicContact CD1-CD2 4.16Å; F42-F47 AromaticContact CD1-CE1 3.76Å; F42-F47 HydrophobicContact CD1-CE1 3.76Å; F42-F47 AromaticContact CD1-CE2 3.66Å; F42-F47 HydrophobicContact CD1-CE2 3.66Å; F42-F47 HydrophobicContact CD1-CG 4.44Å; F42-F47 AromaticContact CD1-CZ 3.44Å; F42-F47 HydrophobicContact CD1-CZ 3.44Å; F42-F47 VanDerWaalsContact CD1-CZ 3.44Å; F42-F47 HydrophobicContact CE1-CE2 4.13Å; F42-F47 HydrophobicContact CE1-CZ 4.07Å; F42-F47 HydrophobicContact CG-CE1 4.17Å; F42-F47 HydrophobicContact CG-CZ 4.26Å; F42-F47 WeakPolarHBondContact O-CD1 3.46Å; S44-F47 PolarHBondContact O-N 2.87Å; S44-F47 WeakPolarHBondContact OG-CB 3.21Å; S44-F47 PolarHBondContact OG-N 3.34Å; F47-T49 VanDerWaalsContact C-N 3.28Å; F47-T49 PolarHBondContact O-N 3.06Å; F47-V50 PolarHBondContact O-N 3.39Å; F47-R51 HydrophobicContact CD1-CB 4.5Å; F47-R51 HydrophobicContact CE1-CB 4.46Å; F47-R51 WeakPolarHBondContact O-CB 3.35Å; F47-R51 PolarHBondContact O-N 3.22Å; F47-C191 HydrophobicContact CE2-CB 3.87Å; F47-C191 HydrophobicContact CZ-CB 4.11Å
48S87.2Confident88.7Confident39 Ų3957.3 Ų57.327%0.27329%0.292SS..Hα-helixtrans-60-35.7173.9-168.50000112.4S44 V46 K52S44-S48 WeakPolarHBondContact O-CB 3.39Å; S44-S48 PolarHBondContact O-N 3.15Å; V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 PolarHBondContact O-N 2.73Å; S48-K52 VanDerWaalsContact O-CD 3.22Å; S48-K52 WeakPolarHBondContact O-CD 3.41Å; S48-K52 WeakPolarHBondContact O-CG 3.28Å; S48-K52 PolarHBondContact O-N 2.84Å; S48-K52 PolarHBondContact OG-NZ 3.12Å
49T86.9Confident88.5Confident24 Ų2455.2 Ų55.215%0.14728%0.279CS..Hα-helixtrans-75-45.9176.5-59.10000111.6M1 L22 P45 V46 F47 R51 K52 L53M1-T49 HydrophobicContact CE-CG2 4.38Å; L22-T49 HydrophobicContact CD1-CG2 4.29Å; L22-T49 HydrophobicContact CD2-CG2 4.15Å; P45-T49 WeakPolarHBondContact O-CB 3.18Å; P45-T49 PolarHBondContact O-N 2.84Å; P45-T49 PolarHBondContact O-OG1 3.16Å; V46-T49 PolarHBondContact O-N 3.25Å; F47-T49 VanDerWaalsContact C-N 3.28Å; F47-T49 PolarHBondContact O-N 3.06Å; T49-R51 VanDerWaalsContact C-N 3.32Å; T49-R51 PolarHBondContact O-N 2.73Å; T49-K52 WeakPolarHBondContact O-CB 3.46Å; T49-K52 PolarHBondContact O-N 3.46Å; T49-L53 WeakPolarHBondContact O-CG 3.36Å; T49-L53 PolarHBondContact O-N 3.36Å
50V89.6Confident87.9Confident1 Ų151.8 Ų51.81%0.00626%0.261CS..Hα-helixtrans-60.3-42.2175.7176.30000111F29 F33 V46 F47 K52 L53 F54 L80 L192F29-V50 HydrophobicContact CE2-CG2 3.74Å; F29-V50 HydrophobicContact CZ-CG2 3.72Å; F33-V50 HydrophobicContact CD2-CB 3.94Å; F33-V50 HydrophobicContact CD2-CG1 4.11Å; F33-V50 HydrophobicContact CD2-CG2 3.74Å; F33-V50 HydrophobicContact CE2-CB 3.73Å; F33-V50 HydrophobicContact CE2-CG1 3.56Å; F33-V50 HydrophobicContact CE2-CG2 4.05Å; F33-V50 HydrophobicContact CG-CG2 4.33Å; F33-V50 HydrophobicContact CZ-CG1 3.85Å; V46-V50 HydrophobicContact CG1-CG2 4.46Å; V46-V50 WeakPolarHBondContact O-CG2 3.34Å; V46-V50 PolarHBondContact O-N 3.22Å; F47-V50 PolarHBondContact O-N 3.39Å; V50-K52 VanDerWaalsContact C-N 3.25Å; V50-K52 PolarHBondContact O-N 3.36Å; V50-L53 WeakPolarHBondContact O-CB 3.4Å; V50-L53 PolarHBondContact O-N 3.02Å; V50-L53 VanDerWaalsContact O-N 3.11Å; V50-F54 HydrophobicContact CG1-CD2 3.79Å; V50-F54 HydrophobicContact CG1-CE2 4.08Å; V50-F54 WeakPolarHBondContact O-CD2 3.47Å; V50-F54 PolarHBondContact O-N 2.82Å; V50-L80 HydrophobicContact CG1-CD1 3.79Å; V50-L80 HydrophobicContact CG2-CD1 4.42Å; V50-L192 HydrophobicContact CG1-CD2 3.63Å
51R87.7Confident86.9Confident134 Ų13452.6 Ų52.651%0.50626%0.262SS..Hα-helixtrans-64.4-24.6174.5-175.9171.8172.9169.2-1113.7F47 T49F47-R51 HydrophobicContact CD1-CB 4.5Å; F47-R51 HydrophobicContact CE1-CB 4.46Å; F47-R51 WeakPolarHBondContact O-CB 3.35Å; F47-R51 PolarHBondContact O-N 3.22Å; T49-R51 VanDerWaalsContact C-N 3.32Å; T49-R51 PolarHBondContact O-N 2.73Å
52K85.8Confident84.9Confident114 Ų11451.1 Ų51.150%0.49626%0.264SS..Hα-helixtrans-79-34.4171.2-73.1159.1-174140.70112.3S48 T49 V50S48-K52 VanDerWaalsContact O-CD 3.22Å; S48-K52 WeakPolarHBondContact O-CD 3.41Å; S48-K52 WeakPolarHBondContact O-CG 3.28Å; S48-K52 PolarHBondContact O-N 2.84Å; S48-K52 PolarHBondContact OG-NZ 3.12Å; T49-K52 WeakPolarHBondContact O-CB 3.46Å; T49-K52 PolarHBondContact O-N 3.46Å; V50-K52 VanDerWaalsContact C-N 3.25Å; V50-K52 PolarHBondContact O-N 3.36Å
53L87.7Confident82.7Confident19 Ų1958 Ų5810%0.09929%0.287CS..Hα-helixtrans-67.6-45.6174.2-66.4170.8000111.1M1 I3 V18 T49 V50 R55 C58 L76M1-L53 HydrophobicContact CE-CD2 3.96Å; I3-L53 HydrophobicContact CD1-CD2 3.44Å; I3-L53 VanDerWaalsContact CD1-CD2 3.44Å; V18-L53 HydrophobicContact CG1-CD1 3.69Å; V18-L53 HydrophobicContact CG2-CD1 4.19Å; T49-L53 WeakPolarHBondContact O-CG 3.36Å; T49-L53 PolarHBondContact O-N 3.36Å; V50-L53 WeakPolarHBondContact O-CB 3.4Å; V50-L53 PolarHBondContact O-N 3.02Å; V50-L53 VanDerWaalsContact O-N 3.11Å; L53-R55 VanDerWaalsContact C-N 3.33Å; L53-R55 PolarHBondContact O-N 2.97Å; L53-C58 WeakPolarHBondContact O-CB 3.33Å; L53-L76 HydrophobicContact CD1-CD2 4.05Å
54F90.3Very high80.3Confident1 Ų158.3 Ų58.30%0.00428%0.281CS..THydrogen-bonded Turntrans-90.658.1176.7-66.3-82.5000112.4V50 T73 L76 F77 L80 L192 S195 F196V50-F54 HydrophobicContact CG1-CD2 3.79Å; V50-F54 HydrophobicContact CG1-CE2 4.08Å; V50-F54 WeakPolarHBondContact O-CD2 3.47Å; V50-F54 PolarHBondContact O-N 2.82Å; F54-T73 HydrophobicContact CD1-CG2 4Å; F54-T73 HydrophobicContact CE1-CG2 3.55Å; F54-T73 HydrophobicContact CZ-CG2 4.28Å; F54-L76 HydrophobicContact CE2-CD2 3.96Å; F54-L76 HydrophobicContact CE2-CG 4.13Å; F54-L76 HydrophobicContact CZ-CB 4.31Å; F54-L76 HydrophobicContact CZ-CD2 4.06Å; F54-L76 HydrophobicContact CZ-CG 4Å; F54-F77 HydrophobicContact CE1-CB 3.8Å; F54-F77 HydrophobicContact CE1-CD2 4.41Å; F54-F77 HydrophobicContact CZ-CB 3.81Å; F54-L80 HydrophobicContact CE2-CD1 3.71Å; F54-L80 HydrophobicContact CZ-CD1 4.35Å; F54-L192 HydrophobicContact CD2-CD2 3.94Å; F54-L192 HydrophobicContact CE2-CD2 4.37Å; F54-L192 HydrophobicContact CG-CD2 4.38Å; F54-S195 WeakPolarHBondContact O-CB 3.21Å; F54-S195 PolarHBondContact O-OG 3.05Å; F54-F196 HydrophobicContact CD1-CD2 4.46Å; F54-F196 HydrophobicContact CE1-CD2 4.28Å
55R90Very high78Confident113 Ų11366.9 Ų66.943%0.42631%0.31SS..SBendtrans-90.4164.8162.2-72.6-168.893.1169.77.4111.1L53 H57 C58 E257L53-R55 VanDerWaalsContact C-N 3.33Å; L53-R55 PolarHBondContact O-N 2.97Å; R55-H57 PolarHBondContact O-N 2.98Å; R55-C58 VanDerWaalsContact O-CB 3.24Å; R55-C58 WeakPolarHBondContact O-CB 3.35Å; R55-C58 PolarHBondContact O-N 2.75Å; R55-C58 PolarHBondContact O-SG 3.07Å; R55-E257 IonicContact CZ-OE2 3.84Å; R55-E257 VanDerWaalsContact CZ-OE2 3.25Å; R55-E257 IonicContact NE-OE2 3.4Å; R55-E257 PolarHBondContact NE-OE2 2.87Å; R55-E257 IonicContact NH2-OE2 2.63Å; R55-E257 PolarHBondContact NH2-OE2 3.49Å
56F89.4Confident76.2Confident13 Ų1363.6 Ų63.66%0.05729%0.288CS..THydrogen-bonded Turntrans-49.6-22.5-174.863.3-97.9000116.6A199 Y202 L254 E257 T258 R261F56-A199 WeakPolarHBondContact O-CA 3.27Å; F56-Y202 HydrophobicContact CB-CG 4.43Å; F56-Y202 HydrophobicContact CD2-CD1 4Å; F56-Y202 AromaticContact CD2-CD2 3.94Å; F56-Y202 HydrophobicContact CD2-CD2 3.94Å; F56-Y202 HydrophobicContact CD2-CE1 4.16Å; F56-Y202 HydrophobicContact CD2-CE2 4.06Å; F56-Y202 AromaticContact CD2-CG 3.92Å; F56-Y202 HydrophobicContact CD2-CG 3.92Å; F56-Y202 HydrophobicContact CE2-CE1 4.48Å; F56-Y202 HydrophobicContact CE2-CE2 4.24Å; F56-Y202 WeakPolarHBondContact O-CB 3.01Å; F56-Y202 WeakPolarHBondContact O-CD1 3.23Å; F56-L254 HydrophobicContact CB-CD1 3.87Å; F56-E257 HydrophobicContact CD1-CB 3.9Å; F56-E257 HydrophobicContact CE1-CB 3.97Å; F56-E257 WeakPolarHBondContact CE1-O 3.34Å; F56-E257 WeakPolarHBondContact CZ-O 3.27Å; F56-T258 HydrophobicContact CB-CG2 4.04Å; F56-T258 HydrophobicContact CD1-CG2 3.81Å; F56-T258 HydrophobicContact CD2-CG2 3.49Å; F56-T258 VanDerWaalsContact CD2-CG2 3.49Å; F56-T258 HydrophobicContact CE1-CG2 4.09Å; F56-T258 HydrophobicContact CE2-CG2 3.8Å; F56-T258 HydrophobicContact CG-CG2 3.5Å; F56-T258 VanDerWaalsContact CG-CG2 3.5Å; F56-T258 HydrophobicContact CZ-CG2 4.08Å; F56-R261 HydrophobicContact CE2-CG 4.27Å; F56-R261 HydrophobicContact CZ-CG 4.48Å
57H87.9Confident74.4Confident67 Ų6773.4 Ų73.431%0.3133%0.33SS..THydrogen-bonded Turntrans-104.915.9-179.356.9-85.9000113.3R55 F59 C60 Y202R55-H57 PolarHBondContact O-N 2.98Å; H57-F59 PolarHBondContact O-N 3.03Å; H57-C60 HydrophobicContact CB-CB 4.33Å; H57-C60 PolarHBondContact O-N 3.01Å; H57-Y202 HydrophobicContact CB-CE1 4.37Å
58C88.1Confident73.5Confident8 Ų875.4 Ų75.45%0.05434%0.342CS..THydrogen-bonded Turntrans-67.9-13.7-175.966.80000114.9L53 R55 T73 A199L53-C58 WeakPolarHBondContact O-CB 3.33Å; R55-C58 VanDerWaalsContact O-CB 3.24Å; R55-C58 WeakPolarHBondContact O-CB 3.35Å; R55-C58 PolarHBondContact O-N 2.75Å; R55-C58 PolarHBondContact O-SG 3.07Å; C58-T73 HydrophobicContact CB-CG2 3.91Å; C58-T73 PolarHBondContact O-OG1 2.94Å; C58-A199 WeakPolarHBondContact SG-CB 3.43Å
59F87.7Confident73.2Confident6 Ų675.1 Ų75.13%0.02634%0.336CS..THydrogen-bonded Turntrans-98.4-12171.7-56-41.2000113.5H57 M70 T73 F196 A199 L200 W203 A223H57-F59 PolarHBondContact O-N 3.03Å; F59-M70 HydrophobicContact CB-CB 4.31Å; F59-M70 HydrophobicContact CB-CG 4.14Å; F59-M70 HydrophobicContact CD1-CB 4.36Å; F59-M70 HydrophobicContact CD1-CG 3.93Å; F59-M70 HydrophobicContact CG-CG 4.07Å; F59-T73 HydrophobicContact CD1-CG2 3.93Å; F59-T73 HydrophobicContact CE1-CG2 3.63Å; F59-F196 HydrophobicContact CE1-CE2 4.17Å; F59-F196 AromaticContact CZ-CD2 3.94Å; F59-F196 HydrophobicContact CZ-CD2 3.94Å; F59-F196 HydrophobicContact CZ-CE1 4.3Å; F59-F196 AromaticContact CZ-CE2 3.66Å; F59-F196 HydrophobicContact CZ-CE2 3.66Å; F59-F196 HydrophobicContact CZ-CG 4.39Å; F59-F196 AromaticContact CZ-CZ 3.85Å; F59-F196 HydrophobicContact CZ-CZ 3.85Å; F59-A199 HydrophobicContact CD2-CB 3.9Å; F59-A199 HydrophobicContact CE2-CB 3.79Å; F59-L200 HydrophobicContact CE2-CB 4.02Å; F59-W203 HydrophobicContact CB-CB 4.28Å; F59-W203 HydrophobicContact CB-CG 4.17Å; F59-W203 HydrophobicContact CD2-CB 4.46Å; F59-A223 HydrophobicContact CE1-CB 4.4Å; F59-A223 HydrophobicContact CE2-CB 4.15Å; F59-A223 HydrophobicContact CZ-CB 3.9Å
60C80.3Confident73.1Confident11 Ų1174.3 Ų74.37%0.07433%0.33CS..  trans-92.6129.5-170.4-53.90000111.8H57 K69 E206H57-C60 HydrophobicContact CB-CB 4.33Å; H57-C60 PolarHBondContact O-N 3.01Å; C60-K69 WeakPolarHBondContact O-CD 3.32Å; C60-K69 WeakPolarHBondContact O-CE 3.36Å; C60-K69 PolarHBondContact O-NZ 2.85Å; C60-E206 VanDerWaalsContact CB-OE2 3.27Å; C60-E206 WeakPolarHBondContact CB-OE2 3.47Å; C60-E206 PolarHBondContact SG-OE2 2.81Å
61S66.9Low72.9Confident50 Ų5076.6 Ų76.635%0.3534%0.342SS..  trans-101.3129.5179-740000112.3R63 T66 K69S61-R63 PolarHBondContact O-N 3.25Å; S61-T66 WeakPolarHBondContact CB-OG1 3.38Å; S61-T66 PolarHBondContact OG-OG1 3.1Å; S61-K69 WeakPolarHBondContact OG-CB 3.34Å
62S51.6Low72.8Confident76 Ų7671 Ų7153%0.53132%0.323SS..  trans-77.977.6-173.752.70000113.7F64S62-F64 PolarHBondContact O-N 3.22Å
63R41.3Very low73Confident236 Ų23666 Ų6689%0.89130%0.302SS*.SBendtrans59.8-13.7168.3-102.9-177.6176.5-175.2-3.2119.3S61S61-R63 PolarHBondContact O-N 3.25Å
64F34.9Very low73.2Confident168 Ų16865.2 Ų65.274%0.73730%0.298SS*.SBendtrans-140.3141.8174.6-73.6-81.1000112.6S62 T66S62-F64 PolarHBondContact O-N 3.22Å; F64-T66 PolarHBondContact O-N 3.23Å
65R39Very low73.1Confident204 Ų20469 Ų6977%0.7731%0.314SS*.SBendtrans34.472.6159.4-59.4-171.2-174.3-178.62.6118E7E7-R65 VanDerWaalsContact CG-O 3.25Å; E7-R65 WeakPolarHBondContact CG-O 3.29Å
66T47.6Very low73.1Confident32 Ų3263.6 Ų63.620%0.19629%0.294CS..  trans-146.4102.9146.729.80000108.2E7 S61 F64 N68E7-T66 HydrophobicContact CG-CG2 4.16Å; S61-T66 WeakPolarHBondContact CB-OG1 3.38Å; S61-T66 PolarHBondContact OG-OG1 3.1Å; F64-T66 PolarHBondContact O-N 3.23Å; T66-N68 VanDerWaalsContact C-N 3.32Å; T66-N68 PolarHBondContact O-N 3.16Å
67K53Low73.3Confident210 Ų21063 Ų6391%0.91329%0.292SS*.THydrogen-bonded Turntrans-72.8-14.5-166.5-127.8-172.6-177-169.70116
68N70.5Confident73.6Confident57 Ų5761.8 Ų61.831%0.30529%0.286SS..THydrogen-bonded Turntrans-155.861.9172.7-145.9-29.3000114.5T66 M70 L71 C72 D219T66-N68 VanDerWaalsContact C-N 3.32Å; T66-N68 PolarHBondContact O-N 3.16Å; N68-M70 VanDerWaalsContact C-N 3.26Å; N68-M70 PolarHBondContact O-N 3.37Å; N68-L71 HydrophobicContact CB-CB 3.98Å; N68-L71 HydrophobicContact CB-CD2 4.44Å; N68-L71 PolarHBondContact O-N 2.76Å; N68-L71 WeakPolarHBondContact OD1-CB 3.44Å; N68-L71 PolarHBondContact OD1-N 3.24Å; N68-C72 PolarHBondContact O-N 3.24Å; N68-D219 PolarHBondContact ND2-O 3.05Å; N68-D219 VanDerWaalsContact ND2-O 3.08Å
69K80.1Confident73.7Confident34 Ų3462.2 Ų62.215%0.14829%0.287CS..Hα-helixtrans-59.7-37.1174.2-174.3175.8176.1-178.90112D4 C60 S61 C72 T73D4-K69 IonicContact OD1-NZ 2.88Å; D4-K69 PolarHBondContact OD1-NZ 3.01Å; C60-K69 WeakPolarHBondContact O-CD 3.32Å; C60-K69 WeakPolarHBondContact O-CE 3.36Å; C60-K69 PolarHBondContact O-NZ 2.85Å; S61-K69 WeakPolarHBondContact OG-CB 3.34Å; K69-C72 PolarHBondContact O-N 2.88Å; K69-T73 PolarHBondContact O-N 2.86Å; K69-T73 PolarHBondContact O-OG1 3.25Å
70M86.4Confident73.9Confident7 Ų762 Ų623%0.03429%0.286CS..Hα-helixtrans-60-44.7176.9-170.8176.9-176.400112.6F59 N68 T74 L200 W203 P222 A223F59-M70 HydrophobicContact CB-CB 4.31Å; F59-M70 HydrophobicContact CB-CG 4.14Å; F59-M70 HydrophobicContact CD1-CB 4.36Å; F59-M70 HydrophobicContact CD1-CG 3.93Å; F59-M70 HydrophobicContact CG-CG 4.07Å; N68-M70 VanDerWaalsContact C-N 3.26Å; N68-M70 PolarHBondContact O-N 3.37Å; M70-T74 VanDerWaalsContact O-CB 3.28Å; M70-T74 WeakPolarHBondContact O-CB 3.26Å; M70-T74 PolarHBondContact O-N 3.06Å; M70-T74 PolarHBondContact O-OG1 2.89Å; M70-L200 HydrophobicContact CE-CD1 4.09Å; M70-W203 HydrophobicContact CE-CD2 4.45Å; M70-W203 HydrophobicContact CE-CE3 4.4Å; M70-W203 HydrophobicContact CE-CZ3 4.46Å; M70-W203 HydrophobicContact SD-CD2 4.44Å; M70-W203 HydrophobicContact SD-CZ2 4.05Å; M70-P222 HydrophobicContact CG-CG 4.27Å; M70-A223 HydrophobicContact CE-CB 3.51Å
71L85.7Confident74.5Confident48 Ų4861.8 Ų61.825%0.25128%0.284SS..Hα-helixtrans-61.6-45.8174.6178.766.1000112.4P11 N68 T74 K75 P222P11-L71 HydrophobicContact CG-CD2 4.06Å; P11-L71 HydrophobicContact CG-CG 3.95Å; N68-L71 HydrophobicContact CB-CB 3.98Å; N68-L71 HydrophobicContact CB-CD2 4.44Å; N68-L71 PolarHBondContact O-N 2.76Å; N68-L71 WeakPolarHBondContact OD1-CB 3.44Å; N68-L71 PolarHBondContact OD1-N 3.24Å; L71-T74 PolarHBondContact O-N 3.47Å; L71-K75 HydrophobicContact CD1-CG 4.09Å; L71-K75 WeakPolarHBondContact O-CB 3.5Å; L71-K75 WeakPolarHBondContact O-CG 3.43Å; L71-K75 PolarHBondContact O-N 2.87Å; L71-P222 HydrophobicContact CB-CG 4.05Å; L71-P222 HydrophobicContact CD1-CB 4.09Å; L71-P222 HydrophobicContact CD1-CG 4.08Å
72C85.6Confident75.5Confident16 Ų1659.6 Ų59.611%0.10827%0.269CS..Hα-helixtrans-61.6-47-179.7-65.80000111.8F14 N68 K69 K75 L76F14-C72 HydrophobicContact CB-CB 4.19Å; F14-C72 HydrophobicContact CD1-CB 3.72Å; F14-C72 HydrophobicContact CE1-CB 4.23Å; F14-C72 HydrophobicContact CG-CB 3.93Å; N68-C72 PolarHBondContact O-N 3.24Å; K69-C72 PolarHBondContact O-N 2.88Å; C72-K75 PolarHBondContact O-N 3.27Å; C72-L76 PolarHBondContact O-N 3.04Å
73T89.4Confident77.1Confident9 Ų956.1 Ų56.16%0.05525%0.245CC..Hα-helixtrans-65.1-37.9175.7-57.70000112.1F54 C58 F59 K69 L76 F77F54-T73 HydrophobicContact CD1-CG2 4Å; F54-T73 HydrophobicContact CE1-CG2 3.55Å; F54-T73 HydrophobicContact CZ-CG2 4.28Å; C58-T73 HydrophobicContact CB-CG2 3.91Å; C58-T73 PolarHBondContact O-OG1 2.94Å; F59-T73 HydrophobicContact CD1-CG2 3.93Å; F59-T73 HydrophobicContact CE1-CG2 3.63Å; K69-T73 PolarHBondContact O-N 2.86Å; K69-T73 PolarHBondContact O-OG1 3.25Å; T73-L76 PolarHBondContact O-N 3.42Å; T73-F77 PolarHBondContact O-N 3.02Å
74T91Very high78.7Confident3 Ų349.8 Ų49.82%0.01823%0.228CC..Hα-helixtrans-66-42.3176.7-58.50000112M70 L71 F77 E78 F196 P222 I226M70-T74 VanDerWaalsContact O-CB 3.28Å; M70-T74 WeakPolarHBondContact O-CB 3.26Å; M70-T74 PolarHBondContact O-N 3.06Å; M70-T74 PolarHBondContact O-OG1 2.89Å; L71-T74 PolarHBondContact O-N 3.47Å; T74-F77 WeakPolarHBondContact O-CB 3.43Å; T74-F77 PolarHBondContact O-N 3.08Å; T74-E78 PolarHBondContact O-N 3.07Å; T74-F196 HydrophobicContact CG2-CZ 4.33Å; T74-P222 HydrophobicContact CG2-CB 4.19Å; T74-I226 HydrophobicContact CG2-CB 4.13Å; T74-I226 HydrophobicContact CG2-CD1 4.22Å; T74-I226 HydrophobicContact CG2-CG2 3.75Å
75K88.7Confident80.6Confident80 Ų8045.7 Ų45.735%0.34821%0.214SC..Hα-helixtrans-72.6-26.6177.3-70.6-68.9174.2-167.20113.1P11 L71 C72 E78 Y79P11-K75 HydrophobicContact CB-CB 3.63Å; P11-K75 HydrophobicContact CB-CG 3.88Å; P11-K75 HydrophobicContact CG-CB 4.39Å; P11-K75 HydrophobicContact CG-CG 4.12Å; L71-K75 HydrophobicContact CD1-CG 4.09Å; L71-K75 WeakPolarHBondContact O-CB 3.5Å; L71-K75 WeakPolarHBondContact O-CG 3.43Å; L71-K75 PolarHBondContact O-N 2.87Å; C72-K75 PolarHBondContact O-N 3.27Å; K75-E78 WeakPolarHBondContact CD-OE2 3.44Å; K75-E78 WeakPolarHBondContact CE-OE2 3.39Å; K75-E78 IonicContact NZ-OE1 2.78Å; K75-E78 PolarHBondContact NZ-OE1 3.47Å; K75-E78 IonicContact NZ-OE2 3.54Å; K75-E78 PolarHBondContact NZ-OE2 3.31Å; K75-Y79 WeakPolarHBondContact O-CB 3.19Å; K75-Y79 PolarHBondContact O-N 3.41Å
76L90.5Very high82.7Confident1 Ų137.5 Ų37.51%0.00519%0.193CC..Hα-helixtrans-66.2-43.3166.7177.263.3000111.5F14 V15 F29 L53 F54 C72 T73 Y79 L80F14-L76 HydrophobicContact CD1-CB 4.41Å; F14-L76 HydrophobicContact CE1-CB 4.05Å; F14-L76 HydrophobicContact CE1-CD2 3.84Å; F14-L76 HydrophobicContact CZ-CD2 4.38Å; V15-L76 HydrophobicContact CG1-CD1 4.35Å; V15-L76 HydrophobicContact CG2-CB 4.28Å; V15-L76 HydrophobicContact CG2-CD1 4.06Å; F29-L76 HydrophobicContact CE1-CD1 4.21Å; L53-L76 HydrophobicContact CD1-CD2 4.05Å; F54-L76 HydrophobicContact CE2-CD2 3.96Å; F54-L76 HydrophobicContact CE2-CG 4.13Å; F54-L76 HydrophobicContact CZ-CB 4.31Å; F54-L76 HydrophobicContact CZ-CD2 4.06Å; F54-L76 HydrophobicContact CZ-CG 4Å; C72-L76 PolarHBondContact O-N 3.04Å; T73-L76 PolarHBondContact O-N 3.42Å; L76-Y79 PolarHBondContact O-N 2.68Å; L76-L80 HydrophobicContact CD1-CD1 4.12Å; L76-L80 HydrophobicContact CD1-CG 4.23Å; L76-L80 HydrophobicContact CG-CD1 4.03Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 2.86Å
77F94.1Very high84.7Confident0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-60.8-48.3175173.6-94.2000111.2F54 T73 T74 Y79 L80 I81 L189 L192 L193 F196 I226 L230F54-F77 HydrophobicContact CE1-CB 3.8Å; F54-F77 HydrophobicContact CE1-CD2 4.41Å; F54-F77 HydrophobicContact CZ-CB 3.81Å; T73-F77 PolarHBondContact O-N 3.02Å; T74-F77 WeakPolarHBondContact O-CB 3.43Å; T74-F77 PolarHBondContact O-N 3.08Å; F77-Y79 VanDerWaalsContact C-N 3.32Å; F77-Y79 PolarHBondContact O-N 3.14Å; F77-L80 PolarHBondContact O-N 3.33Å; F77-I81 HydrophobicContact CD1-CD1 4.19Å; F77-I81 HydrophobicContact CE1-CD1 3.83Å; F77-I81 HydrophobicContact CE2-CG2 4.41Å; F77-I81 HydrophobicContact CZ-CD1 4.42Å; F77-I81 HydrophobicContact CZ-CG2 4.42Å; F77-I81 WeakPolarHBondContact O-CG1 3.31Å; F77-I81 PolarHBondContact O-N 3.42Å; F77-L189 HydrophobicContact CE1-CD1 4.42Å; F77-L189 HydrophobicContact CE2-CD1 4.46Å; F77-L189 HydrophobicContact CZ-CD1 3.71Å; F77-L192 HydrophobicContact CD2-CB 3.85Å; F77-L192 HydrophobicContact CD2-CD1 4Å; F77-L192 HydrophobicContact CE2-CB 3.6Å; F77-L192 HydrophobicContact CE2-CD1 4.4Å; F77-L193 HydrophobicContact CZ-CD1 4.4Å; F77-F196 HydrophobicContact CB-CD2 3.95Å; F77-F196 HydrophobicContact CB-CE2 3.7Å; F77-F196 HydrophobicContact CD1-CD2 4.01Å; F77-F196 AromaticContact CD1-CE2 3.72Å; F77-F196 HydrophobicContact CD1-CE2 3.72Å; F77-F196 HydrophobicContact CD1-CZ 4.15Å; F77-F196 HydrophobicContact CD2-CB 4.25Å; F77-F196 AromaticContact CD2-CD2 3.38Å; F77-F196 HydrophobicContact CD2-CD2 3.38Å; F77-F196 AromaticContact CD2-CE2 3.91Å; F77-F196 HydrophobicContact CD2-CE2 3.91Å; F77-F196 AromaticContact CD2-CG 3.99Å; F77-F196 HydrophobicContact CD2-CG 3.99Å; F77-F196 HydrophobicContact CE1-CD2 4.3Å; F77-F196 HydrophobicContact CE1-CE2 4.24Å; F77-F196 HydrophobicContact CE1-CZ 4.4Å; F77-F196 HydrophobicContact CE2-CB 3.88Å; F77-F196 AromaticContact CE2-CD2 3.72Å; F77-F196 HydrophobicContact CE2-CD2 3.72Å; F77-F196 HydrophobicContact CE2-CE2 4.41Å; F77-F196 AromaticContact CE2-CG 3.83Å; F77-F196 HydrophobicContact CE2-CG 3.83Å; F77-F196 AromaticContact CG-CD2 3.53Å; F77-F196 HydrophobicContact CG-CD2 3.53Å; F77-F196 AromaticContact CG-CE2 3.52Å; F77-F196 HydrophobicContact CG-CE2 3.52Å; F77-F196 HydrophobicContact CG-CG 4.4Å; F77-F196 HydrophobicContact CG-CZ 4.4Å; F77-F196 HydrophobicContact CZ-CB 4.43Å; F77-F196 HydrophobicContact CZ-CD1 4.46Å; F77-F196 HydrophobicContact CZ-CD2 4.17Å; F77-F196 HydrophobicContact CZ-CG 4.11Å; F77-I226 HydrophobicContact CD1-CD1 3.99Å; F77-I226 HydrophobicContact CE1-CD1 4.38Å; F77-L230 HydrophobicContact CE1-CD1 3.99Å; F77-L230 HydrophobicContact CZ-CD1 4.27Å
78E92.5Very high86.4Confident41 Ų4131.7 Ų31.719%0.19217%0.17CC..Hα-helixtrans-52.3-48.1174.2-168.9179.3128.400111.9T74 K75 I81 S82 F87 I226T74-E78 PolarHBondContact O-N 3.07Å; K75-E78 WeakPolarHBondContact CD-OE2 3.44Å; K75-E78 WeakPolarHBondContact CE-OE2 3.39Å; K75-E78 IonicContact NZ-OE1 2.78Å; K75-E78 PolarHBondContact NZ-OE1 3.47Å; K75-E78 IonicContact NZ-OE2 3.54Å; K75-E78 PolarHBondContact NZ-OE2 3.31Å; E78-I81 WeakPolarHBondContact O-CG1 3.5Å; E78-S82 PolarHBondContact O-N 2.93Å; E78-S82 VanDerWaalsContact O-N 3.07Å; E78-S82 PolarHBondContact O-OG 3.25Å; E78-S82 VanDerWaalsContact O-OG 3.07Å; E78-F87 HydrophobicContact CG-CB 3.71Å; E78-F87 HydrophobicContact CG-CD1 4.15Å; E78-F87 HydrophobicContact CG-CD2 4.16Å; E78-F87 HydrophobicContact CG-CG 3.78Å; E78-I226 HydrophobicContact CB-CD1 3.61Å; E78-I226 HydrophobicContact CG-CD1 3.89Å
79Y90.8Very high87.2Confident17 Ų1731.9 Ų31.97%0.06717%0.171CC..Hα-helixtrans-66.1-41.1178.6179.3-110.1000113.2V15 K26 R30 K75 L76 F77 G83 N84V15-Y79 HydrophobicContact CG1-CD1 3.85Å; V15-Y79 HydrophobicContact CG1-CE1 4.32Å; V15-Y79 HydrophobicContact CG1-CG 4.46Å; K26-Y79 VanDerWaalsContact C-OH 3.32Å; K26-Y79 HydrophobicContact CD-CE1 3.99Å; K26-Y79 HydrophobicContact CD-CE2 3.93Å; K26-Y79 VanDerWaalsContact CE-CE2 3.49Å; K26-Y79 VanDerWaalsContact CE-CZ 3.43Å; K26-Y79 HydrophobicContact CG-CE1 3.74Å; K26-Y79 WeakPolarHBondContact CG-OH 3.25Å; K26-Y79 PolarHBondContact O-OH 3.34Å; R30-Y79 HydrophobicContact CB-CE1 3.95Å; R30-Y79 HydrophobicContact CG-CE1 4.4Å; K75-Y79 WeakPolarHBondContact O-CB 3.19Å; K75-Y79 PolarHBondContact O-N 3.41Å; L76-Y79 PolarHBondContact O-N 2.68Å; F77-Y79 VanDerWaalsContact C-N 3.32Å; F77-Y79 PolarHBondContact O-N 3.14Å; Y79-G83 VanDerWaalsContact O-CA 3.26Å; Y79-G83 WeakPolarHBondContact O-CA 3.35Å; Y79-G83 PolarHBondContact O-N 3.2Å; Y79-N84 PolarHBondContact OH-OD1 2.78Å
80L91.9Very high87.7Confident1 Ų130.6 Ų30.61%0.00517%0.166CC..Hα-helixtrans-65.7-38.4180-73.9168.6000112.3F29 F33 V50 F54 L76 F77 L192F29-L80 HydrophobicContact CD1-CD2 4.42Å; F29-L80 HydrophobicContact CE1-CD2 3.78Å; F29-L80 HydrophobicContact CZ-CD2 4.06Å; F33-L80 HydrophobicContact CB-CD2 4.44Å; F33-L80 HydrophobicContact CD1-CB 4.38Å; F33-L80 HydrophobicContact CD1-CD2 3.85Å; F33-L80 HydrophobicContact CE1-CB 4.33Å; F33-L80 HydrophobicContact CE1-CD2 4.44Å; F33-L80 HydrophobicContact CG-CD2 4.19Å; V50-L80 HydrophobicContact CG1-CD1 3.79Å; V50-L80 HydrophobicContact CG2-CD1 4.42Å; F54-L80 HydrophobicContact CE2-CD1 3.71Å; F54-L80 HydrophobicContact CZ-CD1 4.35Å; L76-L80 HydrophobicContact CD1-CD1 4.12Å; L76-L80 HydrophobicContact CD1-CG 4.23Å; L76-L80 HydrophobicContact CG-CD1 4.03Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 2.86Å; F77-L80 PolarHBondContact O-N 3.33Å; L80-L192 HydrophobicContact CB-CD1 3.85Å; L80-L192 HydrophobicContact CD1-CD1 4.09Å
81I92.7Very high87.9Confident8 Ų833.7 Ų33.74%0.04118%0.177CC..Hα-helixtrans-77.4-36.3179.367.7177.7000112.8F77 E78 F87 L90 L189 L192 L230F77-I81 HydrophobicContact CD1-CD1 4.19Å; F77-I81 HydrophobicContact CE1-CD1 3.83Å; F77-I81 HydrophobicContact CE2-CG2 4.41Å; F77-I81 HydrophobicContact CZ-CD1 4.42Å; F77-I81 HydrophobicContact CZ-CG2 4.42Å; F77-I81 WeakPolarHBondContact O-CG1 3.31Å; F77-I81 PolarHBondContact O-N 3.42Å; E78-I81 WeakPolarHBondContact O-CG1 3.5Å; I81-F87 HydrophobicContact CD1-CD2 4.36Å; I81-F87 HydrophobicContact CD1-CE2 3.96Å; I81-L90 HydrophobicContact CB-CD2 4.09Å; I81-L90 HydrophobicContact CD1-CD2 4.04Å; I81-L90 HydrophobicContact CG1-CD2 3.77Å; I81-L189 HydrophobicContact CD1-CD1 4.21Å; I81-L189 HydrophobicContact CG2-CB 4.1Å; I81-L189 HydrophobicContact CG2-CD1 4.11Å; I81-L192 HydrophobicContact CG2-CD1 4.13Å; I81-L230 HydrophobicContact CD1-CD2 4.15Å
82S89.1Confident88Confident4 Ų438.1 Ų38.13%0.02819%0.19CC..Hα-helixtrans-94.6-31.7-177.2750000114.6R30 E78R30-S82 PolarHBondContact NH2-O 2.62Å; E78-S82 PolarHBondContact O-N 2.93Å; E78-S82 VanDerWaalsContact O-N 3.07Å; E78-S82 PolarHBondContact O-OG 3.25Å; E78-S82 VanDerWaalsContact O-OG 3.07Å
83G83.8Confident88.2Confident3 Ų341.6 Ų41.63%0.03120%0.204CC..G310 helixtrans55.2-152.8-166.100000113.1Y79 L85 G86Y79-G83 VanDerWaalsContact O-CA 3.26Å; Y79-G83 WeakPolarHBondContact O-CA 3.35Å; Y79-G83 PolarHBondContact O-N 3.2Å; G83-L85 PolarHBondContact O-N 3.07Å; G83-L85 VanDerWaalsContact O-N 3.08Å; G83-G86 PolarHBondContact O-N 3.05Å
84N76.1Confident88.2Confident102 Ų10241.3 Ų41.355%0.54520%0.201SC..G310 helixtrans-67.2-6-177.3-70.52000114.9E27 Y79 G86E27-N84 PolarHBondContact OE1-ND2 3.4Å; Y79-N84 PolarHBondContact OH-OD1 2.78Å; N84-G86 VanDerWaalsContact C-N 3.26Å
85L73.5Confident88Confident83 Ų8346.4 Ų46.444%0.43522%0.224SC..G310 helixtrans-68.2-27.6167.6-72.6167.6000112G83 N89G83-L85 PolarHBondContact O-N 3.07Å; G83-L85 VanDerWaalsContact O-N 3.08Å; L85-N89 HydrophobicContact CB-CB 4.17Å; L85-N89 WeakPolarHBondContact O-CB 3.49Å; L85-N89 PolarHBondContact O-ND2 3.39Å
86G84.8Confident87.8Confident32 Ų3248 Ų4833%0.3323%0.232SC..  trans75.6155-171.500000113.4G83 N84 D88 N89 L90G83-G86 PolarHBondContact O-N 3.05Å; N84-G86 VanDerWaalsContact C-N 3.26Å; G86-D88 PolarHBondContact O-N 3.19Å; G86-N89 PolarHBondContact O-N 3.46Å; G86-L90 PolarHBondContact O-N 3.38Å
87F89.7Confident87.7Confident22 Ų2250.1 Ų50.110%0.09624%0.24CC..Hα-helixtrans-62.5-44.3-166.4-172.6-137.2000113.4E78 I81 N89 L90 R91 I226 A229 L230E78-F87 HydrophobicContact CG-CB 3.71Å; E78-F87 HydrophobicContact CG-CD1 4.15Å; E78-F87 HydrophobicContact CG-CD2 4.16Å; E78-F87 HydrophobicContact CG-CG 3.78Å; I81-F87 HydrophobicContact CD1-CD2 4.36Å; I81-F87 HydrophobicContact CD1-CE2 3.96Å; F87-N89 VanDerWaalsContact C-N 3.27Å; F87-N89 PolarHBondContact O-N 2.96Å; F87-L90 HydrophobicContact CD2-CD2 4.31Å; F87-L90 WeakPolarHBondContact O-CA 3.45Å; F87-L90 WeakPolarHBondContact O-CB 3.47Å; F87-L90 PolarHBondContact O-N 3.34Å; F87-R91 HydrophobicContact CD1-CG 4.46Å; F87-R91 HydrophobicContact CD2-CG 4.13Å; F87-R91 HydrophobicContact CE1-CG 4.33Å; F87-R91 HydrophobicContact CE2-CG 3.96Å; F87-R91 HydrophobicContact CG-CG 4.36Å; F87-R91 HydrophobicContact CZ-CG 4.05Å; F87-R91 VanDerWaalsContact O-CG 3.3Å; F87-R91 WeakPolarHBondContact O-CG 3.25Å; F87-R91 PolarHBondContact O-N 3.16Å; F87-I226 HydrophobicContact CE1-CD1 4.25Å; F87-I226 HydrophobicContact CE1-CG1 3.85Å; F87-I226 HydrophobicContact CE2-CD1 4.48Å; F87-I226 HydrophobicContact CE2-CG1 4.29Å; F87-I226 HydrophobicContact CZ-CD1 4.12Å; F87-I226 HydrophobicContact CZ-CG1 3.57Å; F87-A229 HydrophobicContact CE1-CB 3.54Å; F87-A229 HydrophobicContact CZ-CB 3.82Å; F87-L230 HydrophobicContact CE2-CD2 4.01Å; F87-L230 HydrophobicContact CE2-CG 4.33Å; F87-L230 HydrophobicContact CZ-CD2 4.32Å; F87-L230 HydrophobicContact CZ-CG 4.18Å
88D87.1Confident87.2Confident97 Ų9752.4 Ų52.452%0.51925%0.253SS..Hα-helixtrans-66.5-24.1-179.8-68.8-55.2000114.5G86 R91 R92G86-D88 PolarHBondContact O-N 3.19Å; D88-R91 IonicContact OD1-CZ 2.76Å; D88-R91 IonicContact OD1-NH1 3.47Å; D88-R91 PolarHBondContact OD1-NH1 2.95Å; D88-R92 WeakPolarHBondContact O-CB 3.47Å; D88-R92 PolarHBondContact O-N 3.26Å
89N88.3Confident86.6Confident61 Ų6155.2 Ų55.233%0.32626%0.262SS..Hα-helixtrans-75.3-35.9171.1-74.4-32.9000111.7L85 G86 F87 R92 K93L85-N89 HydrophobicContact CB-CB 4.17Å; L85-N89 WeakPolarHBondContact O-CB 3.49Å; L85-N89 PolarHBondContact O-ND2 3.39Å; G86-N89 PolarHBondContact O-N 3.46Å; F87-N89 VanDerWaalsContact C-N 3.27Å; F87-N89 PolarHBondContact O-N 2.96Å; N89-R92 VanDerWaalsContact OD1-CZ 3.26Å; N89-R92 PolarHBondContact OD1-NH1 3.45Å; N89-R92 PolarHBondContact OD1-NH2 2.95Å; N89-K93 PolarHBondContact O-N 3.41Å; N89-K93 VanDerWaalsContact O-N 3.1Å
90L89.8Confident86.3Confident8 Ų854.6 Ų54.64%0.04226%0.26CS..Hα-helixtrans-61.9-49.7169.5174.567000110.5I81 G86 F87 R92 K93 L94 L185I81-L90 HydrophobicContact CB-CD2 4.09Å; I81-L90 HydrophobicContact CD1-CD2 4.04Å; I81-L90 HydrophobicContact CG1-CD2 3.77Å; G86-L90 PolarHBondContact O-N 3.38Å; F87-L90 HydrophobicContact CD2-CD2 4.31Å; F87-L90 WeakPolarHBondContact O-CA 3.45Å; F87-L90 WeakPolarHBondContact O-CB 3.47Å; F87-L90 PolarHBondContact O-N 3.34Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 3.13Å; L90-K93 PolarHBondContact O-N 3.02Å; L90-L94 HydrophobicContact CD1-CD1 3.89Å; L90-L94 HydrophobicContact CD1-CG 4.13Å; L90-L94 HydrophobicContact CD2-CD1 4.4Å; L90-L94 HydrophobicContact CG-CD1 3.75Å; L90-L94 HydrophobicContact CG-CG 4.4Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.3Å; L90-L185 HydrophobicContact CD1-CD1 3.65Å; L90-L185 HydrophobicContact CD1-CG 4.23Å
91R91.4Very high86Confident71 Ų7155.7 Ų55.727%0.26827%0.27SS..Hα-helixtrans-57.3-43.2178.7-63.5172.572.3-155.58.9112F87 D88 L94 K95 A229 S233F87-R91 HydrophobicContact CD1-CG 4.46Å; F87-R91 HydrophobicContact CD2-CG 4.13Å; F87-R91 HydrophobicContact CE1-CG 4.33Å; F87-R91 HydrophobicContact CE2-CG 3.96Å; F87-R91 HydrophobicContact CG-CG 4.36Å; F87-R91 HydrophobicContact CZ-CG 4.05Å; F87-R91 VanDerWaalsContact O-CG 3.3Å; F87-R91 WeakPolarHBondContact O-CG 3.25Å; F87-R91 PolarHBondContact O-N 3.16Å; D88-R91 IonicContact OD1-CZ 2.76Å; D88-R91 IonicContact OD1-NH1 3.47Å; D88-R91 PolarHBondContact OD1-NH1 2.95Å; R91-L94 PolarHBondContact O-N 2.88Å; R91-K95 WeakPolarHBondContact O-CB 3.44Å; R91-K95 PolarHBondContact O-N 2.7Å; R91-A229 PolarHBondContact NE-O 3.47Å; R91-A229 PolarHBondContact NH2-O 3.35Å; R91-S233 WeakPolarHBondContact CB-OG 3.34Å; R91-S233 WeakPolarHBondContact CG-OG 3.45Å
92R87.8Confident85.8Confident142 Ų14257.6 Ų57.654%0.53628%0.276SS..Hα-helixtrans-64.5-45.5177.2-158.4-175.1-43.7100.211112.2D88 N89 L90 K95 E96D88-R92 WeakPolarHBondContact O-CB 3.47Å; D88-R92 PolarHBondContact O-N 3.26Å; N89-R92 VanDerWaalsContact OD1-CZ 3.26Å; N89-R92 PolarHBondContact OD1-NH1 3.45Å; N89-R92 PolarHBondContact OD1-NH2 2.95Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 3.13Å; R92-K95 WeakPolarHBondContact O-CB 3.28Å; R92-K95 PolarHBondContact O-N 3.08Å; R92-K95 VanDerWaalsContact O-N 3.16Å; R92-E96 PolarHBondContact O-N 3.33Å
93K88.7Confident85.8Confident89 Ų8958.3 Ų58.339%0.38728%0.281SS..Hα-helixtrans-62.6-41.2175.9-78.9-169.8173-169.10112.9N89 L90 K95 E96 Y97 L185N89-K93 PolarHBondContact O-N 3.41Å; N89-K93 VanDerWaalsContact O-N 3.1Å; L90-K93 PolarHBondContact O-N 3.02Å; K93-K95 PolarHBondContact O-N 3.38Å; K93-E96 WeakPolarHBondContact O-CB 3.49Å; K93-E96 PolarHBondContact O-N 3.41Å; K93-Y97 VanDerWaalsContact O-CD2 3.23Å; K93-Y97 WeakPolarHBondContact O-CD2 3.42Å; K93-Y97 WeakPolarHBondContact O-CE2 3.41Å; K93-L185 HydrophobicContact CB-CD1 4.16Å; K93-L185 HydrophobicContact CB-CD2 4.27Å; K93-L185 HydrophobicContact CD-CD1 4.21Å
94L90Very high86Confident2 Ų259.2 Ų59.21%0.0129%0.287CS..Hα-helixtrans-63-34.8175.3-70.8166.3000111.4L90 R91 E96 Y97 L185 V186 S233 V236 T237L90-L94 HydrophobicContact CD1-CD1 3.89Å; L90-L94 HydrophobicContact CD1-CG 4.13Å; L90-L94 HydrophobicContact CD2-CD1 4.4Å; L90-L94 HydrophobicContact CG-CD1 3.75Å; L90-L94 HydrophobicContact CG-CG 4.4Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.3Å; R91-L94 PolarHBondContact O-N 2.88Å; L94-E96 VanDerWaalsContact C-N 3.26Å; L94-E96 PolarHBondContact O-N 3.36Å; L94-Y97 PolarHBondContact O-N 2.93Å; L94-L185 HydrophobicContact CD2-CD2 3.95Å; L94-L185 HydrophobicContact CD2-CG 4.1Å; L94-L185 HydrophobicContact CG-CD2 4.44Å; L94-V186 HydrophobicContact CD2-CG1 3.79Å; L94-S233 CarbonylContact C-O 3.48Å; L94-V236 HydrophobicContact CD2-CG1 4.46Å; L94-T237 HydrophobicContact CD1-CG2 3.78Å
95K86.4Confident86.5Confident111 Ų11157.6 Ų57.648%0.48328%0.278SS..Hα-helixtrans-70.8-16.1178.8-160.1159.1-163.8131.60114.7R91 R92 K93 Y97 D98 A232 S233R91-K95 WeakPolarHBondContact O-CB 3.44Å; R91-K95 PolarHBondContact O-N 2.7Å; R92-K95 WeakPolarHBondContact O-CB 3.28Å; R92-K95 PolarHBondContact O-N 3.08Å; R92-K95 VanDerWaalsContact O-N 3.16Å; K93-K95 PolarHBondContact O-N 3.38Å; K95-Y97 PolarHBondContact O-N 2.86Å; K95-D98 WeakPolarHBondContact CE-OD2 3.49Å; K95-D98 HydrophobicContact CG-CB 3.97Å; K95-D98 IonicContact NZ-OD2 2.68Å; K95-D98 VanDerWaalsContact O-CB 3.28Å; K95-D98 WeakPolarHBondContact O-CB 3.41Å; K95-D98 PolarHBondContact O-N 3.23Å; K95-A232 PolarHBondContact NZ-O 3.22Å; K95-S233 VanDerWaalsContact CA-O 3.23Å; K95-S233 WeakPolarHBondContact CA-O 3.32Å; K95-S233 PolarHBondContact N-O 3.26Å
96E85.9Confident87.1Confident114 Ų11454.8 Ų54.853%0.53326%0.264SS..THydrogen-bonded Turntrans-67-13.4168.9-64.9156.4-159.600112.1R92 K93 L94R92-E96 PolarHBondContact O-N 3.33Å; K93-E96 WeakPolarHBondContact O-CB 3.49Å; K93-E96 PolarHBondContact O-N 3.41Å; L94-E96 VanDerWaalsContact C-N 3.26Å; L94-E96 PolarHBondContact O-N 3.36Å
97Y87.5Confident87Confident44 Ų4453.8 Ų53.817%0.17325%0.25CS..THydrogen-bonded Turntrans-110.114.5176.7-54.3-98.5000112.5K93 L94 K95 Y99 P179 P181 P182 L185K93-Y97 VanDerWaalsContact O-CD2 3.23Å; K93-Y97 WeakPolarHBondContact O-CD2 3.42Å; K93-Y97 WeakPolarHBondContact O-CE2 3.41Å; L94-Y97 PolarHBondContact O-N 2.93Å; K95-Y97 PolarHBondContact O-N 2.86Å; Y97-Y99 VanDerWaalsContact C-N 3.28Å; Y97-Y99 PolarHBondContact O-N 2.96Å; Y97-P179 HydrophobicContact CD1-CB 4.08Å; Y97-P179 HydrophobicContact CD1-CG 3.93Å; Y97-P179 HydrophobicContact CE1-CB 4.25Å; Y97-P179 HydrophobicContact CE1-CG 4.45Å; Y97-P181 HydrophobicContact CD1-CB 4.01Å; Y97-P181 HydrophobicContact CD2-CB 4.37Å; Y97-P181 HydrophobicContact CE1-CB 4.19Å; Y97-P181 HydrophobicContact CG-CB 4.13Å; Y97-P182 WeakPolarHBondContact OH-CD 3.22Å; Y97-L185 HydrophobicContact CE2-CD2 4.25Å
98D83.2Confident86.3Confident49 Ų4955.8 Ų55.826%0.26227%0.265SS..  trans-80.165.3-177-164.116.6000113.1K95 G234 W235K95-D98 WeakPolarHBondContact CE-OD2 3.49Å; K95-D98 HydrophobicContact CG-CB 3.97Å; K95-D98 IonicContact NZ-OD2 2.68Å; K95-D98 VanDerWaalsContact O-CB 3.28Å; K95-D98 WeakPolarHBondContact O-CB 3.41Å; K95-D98 PolarHBondContact O-N 3.23Å; D98-G234 WeakPolarHBondContact OD1-CA 3.45Å; D98-G234 WeakPolarHBondContact OD2-CA 3.34Å; D98-W235 PolarHBondContact OD1-N 3.13Å
99Y81.2Confident85.5Confident100 Ų10054 Ų5439%0.39226%0.258SS..  trans-99.8106.6173.2-61.5-100.6000108.8Y97 R178 P179Y97-Y99 VanDerWaalsContact C-N 3.28Å; Y97-Y99 PolarHBondContact O-N 2.96Å; Y99-R178 HydrophobicContact CD2-CG 4.4Å; Y99-R178 VanDerWaalsContact O-CZ 3.24Å; Y99-R178 PolarHBondContact O-NE 3.48Å; Y99-R178 PolarHBondContact O-NH2 2.92Å; Y99-P179 HydrophobicContact CD2-CG 4.05Å; Y99-P179 HydrophobicContact CE2-CG 3.59Å
100S83Confident84.5Confident3 Ų355.3 Ų55.32%0.02127%0.265CS..  trans-125146.7-178.6-172.50000112R102S100-R102 VanDerWaalsContact CB-O 3.29Å; S100-R102 WeakPolarHBondContact CB-O 3.21Å; S100-R102 PolarHBondContact OG-N 3.34Å; S100-R102 PolarHBondContact OG-O 3.17Å
101A85.4Confident83.9Confident25 Ų2558.1 Ų58.121%0.20728%0.275CS..SBendtrans-67.2-38.8172.600000111.3G156 G171 L172 V175A101-G156 WeakPolarHBondContact O-CA 3.46Å; A101-G171 PolarHBondContact O-N 3.29Å; A101-L172 HydrophobicContact CB-CD2 4.37Å; A101-V175 HydrophobicContact CB-CG2 3.9Å
102R88.5Confident83.3Confident47 Ų4756 Ų5618%0.17727%0.268CS..SBendtrans-121.3151.7-179.7-67.6-177.8175.2102-4.8111.6S100 C155 D157 A319 E321S100-R102 VanDerWaalsContact CB-O 3.29Å; S100-R102 WeakPolarHBondContact CB-O 3.21Å; S100-R102 PolarHBondContact OG-N 3.34Å; S100-R102 PolarHBondContact OG-O 3.17Å; R102-C155 CarbonylContact C-O 3.53Å; R102-C155 WeakPolarHBondContact CA-O 3.08Å; R102-D157 HydrophobicContact CG-CB 4.32Å; R102-D157 IonicContact CZ-OD2 2.88Å; R102-D157 IonicContact NE-OD1 2.63Å; R102-D157 IonicContact NE-OD2 2.63Å; R102-D157 PolarHBondContact NE-OD2 3.34Å; R102-D157 IonicContact NH2-OD1 3.73Å; R102-D157 IonicContact NH2-OD2 3.23Å; R102-D157 PolarHBondContact NH2-OD2 2.93Å; R102-A319 HydrophobicContact CB-CB 4.5Å; R102-E321 IonicContact CZ-OE2 3.95Å; R102-E321 IonicContact NH1-OE2 2.74Å; R102-E321 PolarHBondContact NH1-OE2 2.99Å
103C89.3Confident83.2Confident20 Ų2049.3 Ų49.314%0.13524%0.242CC..  trans-73.3124.3170.6-168.50000111.1L105 C131 C153 C155 H170C103-L105 VanDerWaalsContact C-N 3.33Å; C103-C131 VanDerWaalsContact SG-SG 3.61Å; C103-C153 HydrophobicContact CB-CB 3.75Å; C103-C155 HydrophobicContact CB-CB 3.98Å; C103-C155 PolarHBondContact N-O 2.86Å; C103-H170 WeakPolarHBondContact CA-NE2 3.14Å; C103-H170 VanDerWaalsContact CB-CE1 3.41Å; C103-H170 WeakPolarHBondContact CB-CE1 3.32Å
104S87.6Confident83.1Confident21 Ų2145 Ų4515%0.14722%0.224CC..  trans-886.7178.864.10000114.4V106 H231 Q238S104-V106 PolarHBondContact O-N 3.21Å; S104-V106 VanDerWaalsContact O-N 3.13Å; S104-H231 PolarHBondContact O-CE1 3.21Å; S104-H231 VanDerWaalsContact O-CE1 3.28Å; S104-Q238 PolarHBondContact OG-NE2 3.32Å; S104-Q238 PolarHBondContact OG-OE1 2.97Å
105L87.8Confident83Confident68 Ų6849 Ų4936%0.35624%0.239SC..  trans-73.1110.5-175.6-172.972.2000111.3C103 W107 C128 C153C103-L105 VanDerWaalsContact C-N 3.33Å; L105-W107 HydrophobicContact CD2-CE3 4.45Å; L105-W107 HydrophobicContact CG-CE3 4.48Å; L105-C128 HydrophobicContact CD2-CB 3.59Å; L105-C153 HydrophobicContact CB-CB 4.42Å; L105-C153 PolarHBondContact O-N 3.33Å
106V85.7Confident83.1Confident25 Ų2543.8 Ų43.815%0.15222%0.216CC..EExtended strand (participates in β ladder)trans-99.5145166.9-172.20000109S104 G151 A152 T312 I315S104-V106 PolarHBondContact O-N 3.21Å; S104-V106 VanDerWaalsContact O-N 3.13Å; V106-G151 CarbonylContact C-O 3.57Å; V106-G151 WeakPolarHBondContact CA-O 3.48Å; V106-G151 WeakPolarHBondContact CG1-O 3.43Å; V106-A152 HydrophobicContact CG2-CB 4.18Å; V106-T312 HydrophobicContact CG1-CG2 3.87Å; V106-I315 HydrophobicContact CG1-CB 4.48Å; V106-I315 HydrophobicContact CG1-CG2 4.27Å; V106-I315 HydrophobicContact CG2-CB 4.13Å; V106-I315 HydrophobicContact CG2-CG2 3.68Å
107W83.4Confident82.8Confident10 Ų1044.4 Ų44.44%0.03821%0.214CC..EExtended strand (participates in β ladder)trans-132.8156.9178.259.977.2000112.6L105 Y111 A113 C128 G150 G151 A152 C153L105-W107 HydrophobicContact CD2-CE3 4.45Å; L105-W107 HydrophobicContact CG-CE3 4.48Å; W107-Y111 HydrophobicContact CB-CD1 3.71Å; W107-Y111 HydrophobicContact CB-CD2 3.87Å; W107-Y111 HydrophobicContact CB-CE1 4.3Å; W107-Y111 HydrophobicContact CB-CE2 4.45Å; W107-Y111 HydrophobicContact CB-CG 3.48Å; W107-Y111 VanDerWaalsContact CB-CG 3.48Å; W107-Y111 AromaticContact CD1-CD1 3.66Å; W107-Y111 AromaticContact CD1-CG 3.87Å; W107-Y111 AromaticContact CD2-CD1 3.36Å; W107-Y111 HydrophobicContact CD2-CD1 3.36Å; W107-Y111 AromaticContact CD2-CE1 3.66Å; W107-Y111 HydrophobicContact CD2-CE1 3.66Å; W107-Y111 HydrophobicContact CD2-CG 4.11Å; W107-Y111 AromaticContact CE2-CD1 3.8Å; W107-Y111 AromaticContact CE3-CD1 3.88Å; W107-Y111 HydrophobicContact CE3-CD1 3.88Å; W107-Y111 AromaticContact CE3-CE1 3.64Å; W107-Y111 HydrophobicContact CE3-CE1 3.64Å; W107-Y111 AromaticContact CG-CD1 3.28Å; W107-Y111 HydrophobicContact CG-CD1 3.28Å; W107-Y111 HydrophobicContact CG-CD2 4.36Å; W107-Y111 AromaticContact CG-CE1 3.98Å; W107-Y111 HydrophobicContact CG-CE1 3.98Å; W107-Y111 AromaticContact CG-CG 3.52Å; W107-Y111 HydrophobicContact CG-CG 3.52Å; W107-Y111 HydrophobicContact CZ3-CE1 4.21Å; W107-Y111 AromaticContact NE1-CD1 3.93Å; W107-A113 HydrophobicContact CH2-CB 3.9Å; W107-A113 HydrophobicContact CZ2-CB 3.44Å; W107-A113 VanDerWaalsContact CZ2-CB 3.44Å; W107-C128 HydrophobicContact CE3-CB 4.39Å; W107-C128 HydrophobicContact CZ3-CB 3.85Å; W107-G150 VanDerWaalsContact CD1-C 3.5Å; W107-G150 PolarHBondContact NE1-O 3.41Å; W107-G150 CarbonylContact O-C 3.49Å; W107-G150 WeakPolarHBondContact O-CA 3.42Å; W107-G151 PolarHBondContact N-O 2.9Å; W107-G151 PolarHBondContact O-N 2.87Å; W107-A152 WeakPolarHBondContact CH2-O 3.31Å; W107-A152 VanDerWaalsContact CZ3-C 3.46Å; W107-C153 HydrophobicContact CZ3-CB 3.92Å
108T75Confident82.6Confident65 Ų6545 Ų4540%0.39922%0.222SC..  trans-95.4-169.7178.7530000111.2E308 T312T108-E308 VanDerWaalsContact CB-OE1 3.3Å; T108-E308 WeakPolarHBondContact CB-OE1 3.36Å; T108-E308 HydrophobicContact CG2-CG 4.12Å; T108-E308 VanDerWaalsContact CG2-OE1 3.27Å; T108-E308 WeakPolarHBondContact CG2-OE1 3.4Å; T108-T312 HydrophobicContact CG2-CG2 4.07Å
109T68.8Low83Confident60 Ų6042.7 Ų42.737%0.36821%0.209SC..THydrogen-bonded Turntrans-59.8153.9176.875.20000112.4Y111 H148T109-Y111 VanDerWaalsContact C-N 3.28Å; T109-Y111 PolarHBondContact O-N 3.01Å; T109-H148 WeakPolarHBondContact CG2-O 3.31Å
110N68.4Low83.1Confident88 Ų8838.6 Ų38.647%0.47120%0.198SC..THydrogen-bonded Turntrans70.40.4-179.7-62.4-80.6000117.5K146 S147N110-K146 VanDerWaalsContact O-CE 3.24Å; N110-K146 WeakPolarHBondContact O-CE 3.45Å; N110-K146 VanDerWaalsContact OD1-CE 3.25Å; N110-K146 WeakPolarHBondContact OD1-CE 3.45Å; N110-K146 PolarHBondContact OD1-NZ 2.87Å; N110-S147 WeakPolarHBondContact CA-O 3.37Å; N110-S147 PolarHBondContact N-O 2.72Å
111Y77.3Confident82.7Confident67 Ų6743.7 Ų43.726%0.26322%0.223SC..  trans-69.9146.8172.5-172.2-94.7000112.8W107 T109 A113 C128 K146 S147W107-Y111 HydrophobicContact CB-CD1 3.71Å; W107-Y111 HydrophobicContact CB-CD2 3.87Å; W107-Y111 HydrophobicContact CB-CE1 4.3Å; W107-Y111 HydrophobicContact CB-CE2 4.45Å; W107-Y111 HydrophobicContact CB-CG 3.48Å; W107-Y111 VanDerWaalsContact CB-CG 3.48Å; W107-Y111 AromaticContact CD1-CD1 3.66Å; W107-Y111 AromaticContact CD1-CG 3.87Å; W107-Y111 AromaticContact CD2-CD1 3.36Å; W107-Y111 HydrophobicContact CD2-CD1 3.36Å; W107-Y111 AromaticContact CD2-CE1 3.66Å; W107-Y111 HydrophobicContact CD2-CE1 3.66Å; W107-Y111 HydrophobicContact CD2-CG 4.11Å; W107-Y111 AromaticContact CE2-CD1 3.8Å; W107-Y111 AromaticContact CE3-CD1 3.88Å; W107-Y111 HydrophobicContact CE3-CD1 3.88Å; W107-Y111 AromaticContact CE3-CE1 3.64Å; W107-Y111 HydrophobicContact CE3-CE1 3.64Å; W107-Y111 AromaticContact CG-CD1 3.28Å; W107-Y111 HydrophobicContact CG-CD1 3.28Å; W107-Y111 HydrophobicContact CG-CD2 4.36Å; W107-Y111 AromaticContact CG-CE1 3.98Å; W107-Y111 HydrophobicContact CG-CE1 3.98Å; W107-Y111 AromaticContact CG-CG 3.52Å; W107-Y111 HydrophobicContact CG-CG 3.52Å; W107-Y111 HydrophobicContact CZ3-CE1 4.21Å; W107-Y111 AromaticContact NE1-CD1 3.93Å; T109-Y111 VanDerWaalsContact C-N 3.28Å; T109-Y111 PolarHBondContact O-N 3.01Å; Y111-A113 HydrophobicContact CD1-CB 4.42Å; Y111-C128 HydrophobicContact CE1-CB 4.29Å; Y111-K146 CarbonylContact O-C 3.6Å; Y111-K146 WeakPolarHBondContact O-CA 3.49Å; Y111-S147 PolarHBondContact O-N 3.47Å
112F78.1Confident81.8Confident27 Ų2744.6 Ų44.612%0.11823%0.228CC..EExtended strand (participates in β ladder)trans-96.4120.9176.5-77.6-81.7000112K144 F145 K146 F2349 H2353F112-K144 HydrophobicContact CD1-CG 4.42Å; F112-F145 WeakPolarHBondContact CA-O 3.38Å; F112-K146 HydrophobicContact CD1-CB 4.09Å; F112-K146 HydrophobicContact CD1-CG 4.46Å; F112-K146 HydrophobicContact CE1-CB 3.87Å; F112-K146 HydrophobicContact CE1-CD 4.32Å; F112-K146 HydrophobicContact CE1-CG 4.23Å; F112-K146 HydrophobicContact CE2-CD 4.31Å; F112-K146 HydrophobicContact CZ-CB 4.36Å; F112-K146 HydrophobicContact CZ-CD 3.96Å; F112-K146 HydrophobicContact CZ-CG 4.26Å; F112-F2349 HydrophobicContact CB-CZ 4.39Å; F112-F2349 AromaticContact CD1-CZ 4Å; F112-F2349 HydrophobicContact CD1-CZ 4Å; F112-F2349 HydrophobicContact CD2-CZ 4.05Å; F112-F2349 HydrophobicContact CE1-CZ 4.2Å; F112-F2349 HydrophobicContact CE2-CZ 4.26Å; F112-F2349 AromaticContact CG-CZ 3.91Å; F112-F2349 HydrophobicContact CG-CZ 3.91Å; F112-F2349 HydrophobicContact CZ-CZ 4.32Å; F112-H2353 AromaticContact CD2-CE1 3.86Å
113A85.1Confident80.6Confident0 Ų047.9 Ų47.90%026%0.255CS..EExtended strand (participates in β ladder)trans-126.4167.7178.700000111.4W107 Y111 L127 K144 F145W107-A113 HydrophobicContact CH2-CB 3.9Å; W107-A113 HydrophobicContact CZ2-CB 3.44Å; W107-A113 VanDerWaalsContact CZ2-CB 3.44Å; Y111-A113 HydrophobicContact CD1-CB 4.42Å; A113-L127 WeakPolarHBondContact CA-O 3.47Å; A113-L127 WeakPolarHBondContact CB-O 3.41Å; A113-K144 CarbonylContact O-C 3.48Å; A113-K144 WeakPolarHBondContact O-CA 3.46Å; A113-F145 HydrophobicContact CB-CD1 4.34Å; A113-F145 HydrophobicContact CB-CE1 3.62Å; A113-F145 HydrophobicContact CB-CE2 4.38Å; A113-F145 HydrophobicContact CB-CZ 3.66Å; A113-F145 PolarHBondContact N-O 3.16Å; A113-F145 VanDerWaalsContact O-CD1 3.3Å; A113-F145 WeakPolarHBondContact O-CD1 3.47Å; A113-F145 PolarHBondContact O-N 2.88Å
114Y88.4Confident79.8Confident0 Ų048.7 Ų48.70%026%0.261CS..EExtended strand (participates in β ladder)trans-121.8140.1-177.5-69-95.7000110.3S126 L127 F132 F142 N143 K144 N2350Y114-S126 CarbonylContact O-C 3.48Å; Y114-S126 WeakPolarHBondContact O-CA 3.3Å; Y114-L127 PolarHBondContact N-O 2.86Å; Y114-L127 PolarHBondContact O-N 3.13Å; Y114-F132 AromaticContact CD1-CD1 3.61Å; Y114-F132 HydrophobicContact CD1-CD1 3.61Å; Y114-F132 HydrophobicContact CD1-CD2 4.24Å; Y114-F132 AromaticContact CD1-CE1 3.6Å; Y114-F132 HydrophobicContact CD1-CE1 3.6Å; Y114-F132 HydrophobicContact CD1-CE2 4.22Å; Y114-F132 AromaticContact CD1-CG 3.95Å; Y114-F132 HydrophobicContact CD1-CG 3.95Å; Y114-F132 AromaticContact CD1-CZ 3.92Å; Y114-F132 HydrophobicContact CD1-CZ 3.92Å; Y114-F132 HydrophobicContact CD2-CB 3.94Å; Y114-F132 AromaticContact CD2-CD1 3.96Å; Y114-F132 HydrophobicContact CD2-CD1 3.96Å; Y114-F132 AromaticContact CD2-CG 3.97Å; Y114-F132 HydrophobicContact CD2-CG 3.97Å; Y114-F132 AromaticContact CE1-CD1 3.75Å; Y114-F132 HydrophobicContact CE1-CD1 3.75Å; Y114-F132 AromaticContact CE1-CE1 3.65Å; Y114-F132 HydrophobicContact CE1-CE1 3.65Å; Y114-F132 HydrophobicContact CE1-CG 4.5Å; Y114-F132 HydrophobicContact CE1-CZ 4.33Å; Y114-F132 HydrophobicContact CE2-CD1 4.09Å; Y114-F132 HydrophobicContact CG-CB 4.05Å; Y114-F132 AromaticContact CG-CD1 3.73Å; Y114-F132 HydrophobicContact CG-CD1 3.73Å; Y114-F132 HydrophobicContact CG-CD2 4.04Å; Y114-F132 HydrophobicContact CG-CE1 4.18Å; Y114-F132 HydrophobicContact CG-CE2 4.46Å; Y114-F132 AromaticContact CG-CG 3.65Å; Y114-F132 HydrophobicContact CG-CG 3.65Å; Y114-F132 AromaticContact CZ-CD1 3.98Å; Y114-F142 HydrophobicContact CD1-CD2 4.05Å; Y114-F142 HydrophobicContact CD1-CE2 4.26Å; Y114-F142 HydrophobicContact CE1-CE2 4.27Å; Y114-N143 CarbonylContact C-O 3.58Å; Y114-K144 HydrophobicContact CD1-CB 3.87Å; Y114-K144 HydrophobicContact CD1-CG 4.23Å; Y114-K144 HydrophobicContact CE1-CB 3.73Å; Y114-K144 HydrophobicContact CE1-CD 3.75Å; Y114-K144 HydrophobicContact CE1-CG 3.86Å; Y114-K144 HydrophobicContact CE2-CD 4.35Å; Y114-K144 HydrophobicContact CE2-CG 4.44Å; Y114-K144 WeakPolarHBondContact OH-CD 3.14Å; Y114-N2350 PolarHBondContact OH-ND2 3.34Å; Y114-N2350 PolarHBondContact OH-OD1 3.43Å
115R86.3Confident79.7Confident85 Ų8547.8 Ų47.832%0.32126%0.255SS..EExtended strand (participates in β ladder)trans-115116.7165.3-52.4-155172155.16109.2P123 S124 M125 S126 F142 N143 F145R115-P123 VanDerWaalsContact CD-O 3.3Å; R115-P123 WeakPolarHBondContact CD-O 3.45Å; R115-P123 PolarHBondContact NH1-O 3.23Å; R115-S124 PolarHBondContact NE-O 3.37Å; R115-M125 VanDerWaalsContact CB-O 3.28Å; R115-M125 WeakPolarHBondContact CB-O 3.07Å; R115-M125 WeakPolarHBondContact CD-O 3.43Å; R115-M125 WeakPolarHBondContact CG-O 3.48Å; R115-S126 PolarHBondContact NE-OG 3.45Å; R115-F142 CarbonylContact O-C 3.47Å; R115-F142 WeakPolarHBondContact O-CA 3.31Å; R115-F142 WeakPolarHBondContact O-CB 3.14Å; R115-N143 PolarHBondContact N-O 3.29Å; R115-N143 PolarHBondContact O-N 3.46Å; R115-F145 HydrophobicContact CG-CD1 3.9Å; R115-F145 HydrophobicContact CG-CE1 3.46Å; R115-F145 VanDerWaalsContact CG-CE1 3.46Å; R115-F145 HydrophobicContact CG-CZ 4.33Å
116C88.5Confident79.8Confident1 Ų145.1 Ų45.11%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-94.1107.8174.5-177.50000109.6T118 C119 G120 M125 H137 H140 F142C116-T118 VanDerWaalsContact C-N 3.27Å; C116-T118 PolarHBondContact O-N 3.4Å; C116-C119 HydrophobicContact CB-CB 4.15Å; C116-C119 PolarHBondContact O-N 2.92Å; C116-G120 PolarHBondContact O-N 3.3Å; C116-M125 HydrophobicContact CB-CE 4.11Å; C116-M125 WeakPolarHBondContact O-CE 3.36Å; C116-H137 PolarHBondContact SG-ND1 2.74Å; C116-H137 VanDerWaalsContact SG-ND1 3.37Å; C116-H140 VanDerWaalsContact SG-CB 3.6Å; C116-F142 HydrophobicContact CB-CB 4.15Å
117R80Confident80Confident128 Ų12844 Ų4448%0.48323%0.234SC..THydrogen-bonded Turntrans-70.8-24.9-177.5-54.7-171.4-164.9133.5-5.9112.4D141R117-D141 WeakPolarHBondContact CD-OD2 3.3Å; R117-D141 IonicContact CZ-OD2 3.46Å; R117-D141 PolarHBondContact N-O 2.84Å; R117-D141 IonicContact NE-OD2 3.13Å; R117-D141 IonicContact NH1-OD1 2.81Å; R117-D141 IonicContact NH1-OD2 3.83Å; R117-D141 PolarHBondContact NH1-OD2 3.05Å
118T84.8Confident80.3Confident55 Ų5543.6 Ų43.634%0.33723%0.233SC..THydrogen-bonded Turntrans-70.3-37.9172.8-50.20000112.2C116 H140 D141 K162C116-T118 VanDerWaalsContact C-N 3.27Å; C116-T118 PolarHBondContact O-N 3.4Å; T118-H140 HydrophobicContact CG2-CB 4.35Å; T118-D141 PolarHBondContact N-O 3.35Å; T118-D141 PolarHBondContact OG1-N 2.91Å; T118-K162 PolarHBondContact O-NZ 3.37Å
119C90.1Very high80.7Confident1 Ų141.5 Ų41.51%0.00722%0.221CC..THydrogen-bonded Turntrans-91.3-33.4-178.5-61.20000113.9C116 H140 M161 K162C116-C119 HydrophobicContact CB-CB 4.15Å; C116-C119 PolarHBondContact O-N 2.92Å; C119-H140 VanDerWaalsContact SG-CE1 3.5Å; C119-H140 PolarHBondContact SG-ND1 3.5Å; C119-M161 HydrophobicContact CB-CE 4.23Å; C119-M161 WeakPolarHBondContact O-CA 3.14Å; C119-K162 WeakPolarHBondContact O-CG 3.21Å; C119-K162 PolarHBondContact O-N 3.11Å
120G83.2Confident81.4Confident15 Ų1542.5 Ų42.516%0.15523%0.231CC..BIsolated β-bridgetrans-70146.2-177.200000112.7C116 M125C116-G120 PolarHBondContact O-N 3.3Å; G120-M125 VanDerWaalsContact CA-CE 3.42Å
121M76Confident82.5Confident110 Ų11038.5 Ų38.554%0.54221%0.209SC..SBendtrans-99.2-17.9170.5-55.9-160.6-62.500112A158 T159 V160 K162M121-A158 WeakPolarHBondContact CE-O 3.32Å; M121-T159 VanDerWaalsContact CE-C 3.46Å; M121-T159 VanDerWaalsContact CE-O 3.27Å; M121-T159 WeakPolarHBondContact CE-O 3.48Å; M121-V160 PolarHBondContact N-O 2.96Å; M121-K162 HydrophobicContact CG-CG 4.44Å
122S66.5Low83.1Confident44 Ų4436.2 Ų36.231%0.30820%0.201SC..SBendtrans-123.4146.2173174.70000111.8S124 M125S122-S124 PolarHBondContact O-N 3.04Å; S122-S124 PolarHBondContact OG-N 3.31Å; S122-S124 PolarHBondContact OG-OG 3Å; S122-M125 VanDerWaalsContact O-CB 3.32Å; S122-M125 WeakPolarHBondContact O-CB 3.16Å; S122-M125 PolarHBondContact O-N 3.25Å; S122-M125 VanDerWaalsContact O-N 3.16Å
123P63.3Low83.4Confident116 Ų11639.1 Ų39.175%0.75322%0.221SC*.THydrogen-bonded Turntrans-60.6-16169.3-22.734.2000115.2R115R115-P123 VanDerWaalsContact CD-O 3.3Å; R115-P123 WeakPolarHBondContact CD-O 3.45Å; R115-P123 PolarHBondContact NH1-O 3.23Å
124S70.9Confident83.5Confident37 Ų3739.9 Ų39.926%0.25923%0.228SC..THydrogen-bonded Turntrans-74.3-25.2174.756.30000113.3R115 S122 S126R115-S124 PolarHBondContact NE-O 3.37Å; S122-S124 PolarHBondContact O-N 3.04Å; S122-S124 PolarHBondContact OG-N 3.31Å; S122-S124 PolarHBondContact OG-OG 3Å; S124-S126 PolarHBondContact O-N 3.48Å; S124-S126 PolarHBondContact O-OG 2.88Å
125M85.9Confident83.4Confident2 Ų240.8 Ų40.81%0.0124%0.236CC..  trans-54.3122.7-169.2-172.1-76.4-74.300112.5R115 C116 G120 S122 L127 D154 M161R115-M125 VanDerWaalsContact CB-O 3.28Å; R115-M125 WeakPolarHBondContact CB-O 3.07Å; R115-M125 WeakPolarHBondContact CD-O 3.43Å; R115-M125 WeakPolarHBondContact CG-O 3.48Å; C116-M125 HydrophobicContact CB-CE 4.11Å; C116-M125 WeakPolarHBondContact O-CE 3.36Å; G120-M125 VanDerWaalsContact CA-CE 3.42Å; S122-M125 VanDerWaalsContact O-CB 3.32Å; S122-M125 WeakPolarHBondContact O-CB 3.16Å; S122-M125 PolarHBondContact O-N 3.25Å; S122-M125 VanDerWaalsContact O-N 3.16Å; M125-L127 HydrophobicContact CE-CD1 4.42Å; M125-L127 HydrophobicContact SD-CD1 4.2Å; M125-L127 HydrophobicContact SD-CD2 4.24Å; M125-L127 HydrophobicContact SD-CG 3.8Å; M125-D154 VanDerWaalsContact CA-OD2 3.25Å; M125-D154 WeakPolarHBondContact CA-OD2 3.44Å; M125-D154 HydrophobicContact CG-CB 4.03Å; M125-D154 HydrophobicContact SD-CB 4.48Å; M125-M161 HydrophobicContact CE-CB 4.39Å; M125-M161 HydrophobicContact CG-CB 3.99Å; M125-M161 HydrophobicContact SD-CB 4.36Å; M125-M161 HydrophobicContact SD-SD 4.47Å
126S89.5Confident83.4Confident11 Ų1141.8 Ų41.88%0.07725%0.248CC..  trans-134.7131.4-171.2-600000112.1Y114 R115 S124 F145 D154Y114-S126 CarbonylContact O-C 3.48Å; Y114-S126 WeakPolarHBondContact O-CA 3.3Å; R115-S126 PolarHBondContact NE-OG 3.45Å; S124-S126 PolarHBondContact O-N 3.48Å; S124-S126 PolarHBondContact O-OG 2.88Å; S126-F145 WeakPolarHBondContact OG-CZ 3.36Å; S126-D154 PolarHBondContact N-OD2 3.32Å; S126-D154 PolarHBondContact O-N 2.93Å
127L91Very high83.3Confident1 Ų142.3 Ų42.31%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-115.4139.7-179.1-63.9169.3000110.5A113 Y114 M125 F132 C155 M161A113-L127 WeakPolarHBondContact CA-O 3.47Å; A113-L127 WeakPolarHBondContact CB-O 3.41Å; Y114-L127 PolarHBondContact N-O 2.86Å; Y114-L127 PolarHBondContact O-N 3.13Å; M125-L127 HydrophobicContact CE-CD1 4.42Å; M125-L127 HydrophobicContact SD-CD1 4.2Å; M125-L127 HydrophobicContact SD-CD2 4.24Å; M125-L127 HydrophobicContact SD-CG 3.8Å; L127-F132 HydrophobicContact CB-CB 4.29Å; L127-F132 HydrophobicContact CD1-CD2 4.22Å; L127-C155 HydrophobicContact CD2-CB 3.69Å; L127-M161 HydrophobicContact CD1-CE 4.23Å; L127-M161 HydrophobicContact CD2-CE 4.13Å; L127-M161 HydrophobicContact CD2-SD 3.84Å
128C90.2Very high83.2Confident2 Ų244.5 Ų44.51%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-72.3154.5168.374.50000111.3L105 W107 Y111 S130 C131 F132 C153L105-C128 HydrophobicContact CD2-CB 3.59Å; W107-C128 HydrophobicContact CE3-CB 4.39Å; W107-C128 HydrophobicContact CZ3-CB 3.85Å; Y111-C128 HydrophobicContact CE1-CB 4.29Å; C128-S130 PolarHBondContact O-N 3.44Å; C128-C131 PolarHBondContact O-N 3.45Å; C128-C131 PolarHBondContact SG-N 3.38Å; C128-C131 VanDerWaalsContact SG-N 3.44Å; C128-F132 PolarHBondContact O-N 2.98Å; C128-C153 HydrophobicContact CB-CB 4.29Å; C128-C153 PolarHBondContact N-SG 3.13Å
129S83.1Confident82.8Confident21 Ų2145.9 Ų45.915%0.14729%0.292CS..Hα-helixtrans-51.4-40.8178.4166.80000112.3C131 T133 N2350S129-C131 PolarHBondContact O-N 3.02Å; S129-T133 VanDerWaalsContact O-CB 3.27Å; S129-T133 WeakPolarHBondContact O-CB 3.41Å; S129-T133 PolarHBondContact O-N 2.92Å; S129-T133 PolarHBondContact O-OG1 3.1Å; S129-N2350 PolarHBondContact OG-OD1 3.1Å
130S84Confident82.5Confident81 Ų8148.2 Ų48.257%0.56630%0.302SS*.Hα-helixtrans-61.4-40.4178.3-43.60000113.4C128 A134C128-S130 PolarHBondContact O-N 3.44Å; S130-A134 WeakPolarHBondContact O-CB 3.15Å; S130-A134 PolarHBondContact O-N 3.43Å
131C90.8Very high82.1Confident4 Ų449.6 Ų49.63%0.02731%0.306CS..Hα-helixtrans-78.9-43.5179.9-70.80000111.6C103 C128 S129 T133 A134 G135 C155 C167 H170C103-C131 VanDerWaalsContact SG-SG 3.61Å; C128-C131 PolarHBondContact O-N 3.45Å; C128-C131 PolarHBondContact SG-N 3.38Å; C128-C131 VanDerWaalsContact SG-N 3.44Å; S129-C131 PolarHBondContact O-N 3.02Å; C131-T133 VanDerWaalsContact C-N 3.3Å; C131-T133 PolarHBondContact O-N 3.25Å; C131-A134 CarbonylContact O-C 3.52Å; C131-A134 PolarHBondContact O-N 3.32Å; C131-A134 VanDerWaalsContact O-N 3.1Å; C131-G135 PolarHBondContact O-N 3.12Å; C131-C155 HydrophobicContact CB-CB 3.67Å; C131-C167 HydrophobicContact CB-CB 4.09Å; C131-C167 WeakPolarHBondContact O-CB 3.45Å; C131-H170 VanDerWaalsContact SG-CE1 3.5Å
132F89.9Confident82.4Confident19 Ų1945.4 Ų45.48%0.08329%0.285CS..Hα-helixtrans-58.6-41.4175.8-177.8-99.7000112Y114 L127 C128 A134 H137 F142Y114-F132 AromaticContact CD1-CD1 3.61Å; Y114-F132 HydrophobicContact CD1-CD1 3.61Å; Y114-F132 HydrophobicContact CD1-CD2 4.24Å; Y114-F132 AromaticContact CD1-CE1 3.6Å; Y114-F132 HydrophobicContact CD1-CE1 3.6Å; Y114-F132 HydrophobicContact CD1-CE2 4.22Å; Y114-F132 AromaticContact CD1-CG 3.95Å; Y114-F132 HydrophobicContact CD1-CG 3.95Å; Y114-F132 AromaticContact CD1-CZ 3.92Å; Y114-F132 HydrophobicContact CD1-CZ 3.92Å; Y114-F132 HydrophobicContact CD2-CB 3.94Å; Y114-F132 AromaticContact CD2-CD1 3.96Å; Y114-F132 HydrophobicContact CD2-CD1 3.96Å; Y114-F132 AromaticContact CD2-CG 3.97Å; Y114-F132 HydrophobicContact CD2-CG 3.97Å; Y114-F132 AromaticContact CE1-CD1 3.75Å; Y114-F132 HydrophobicContact CE1-CD1 3.75Å; Y114-F132 AromaticContact CE1-CE1 3.65Å; Y114-F132 HydrophobicContact CE1-CE1 3.65Å; Y114-F132 HydrophobicContact CE1-CG 4.5Å; Y114-F132 HydrophobicContact CE1-CZ 4.33Å; Y114-F132 HydrophobicContact CE2-CD1 4.09Å; Y114-F132 HydrophobicContact CG-CB 4.05Å; Y114-F132 AromaticContact CG-CD1 3.73Å; Y114-F132 HydrophobicContact CG-CD1 3.73Å; Y114-F132 HydrophobicContact CG-CD2 4.04Å; Y114-F132 HydrophobicContact CG-CE1 4.18Å; Y114-F132 HydrophobicContact CG-CE2 4.46Å; Y114-F132 AromaticContact CG-CG 3.65Å; Y114-F132 HydrophobicContact CG-CG 3.65Å; Y114-F132 AromaticContact CZ-CD1 3.98Å; L127-F132 HydrophobicContact CB-CB 4.29Å; L127-F132 HydrophobicContact CD1-CD2 4.22Å; C128-F132 PolarHBondContact O-N 2.98Å; F132-A134 VanDerWaalsContact C-N 3.3Å; F132-A134 PolarHBondContact O-N 3.38Å; F132-H137 HydrophobicContact CD2-CB 4.23Å; F132-H137 AromaticContact CD2-CD2 3.62Å; F132-H137 AromaticContact CD2-CG 3.72Å; F132-H137 AromaticContact CD2-NE2 3.88Å; F132-H137 HydrophobicContact CE2-CB 3.61Å; F132-H137 AromaticContact CE2-CD2 3.92Å; F132-H137 AromaticContact CE2-CG 3.53Å; F132-H137 AromaticContact CE2-ND1 3.89Å; F132-H137 HydrophobicContact CZ-CB 3.96Å; F132-H137 PolarHBondContact O-CD2 3.1Å; F132-H137 VanDerWaalsContact O-CD2 3.32Å; F132-F142 HydrophobicContact CE1-CD2 4.43Å; F132-F142 HydrophobicContact CE1-CE2 4.22Å; F132-F142 HydrophobicContact CE1-CZ 4.35Å; F132-F142 HydrophobicContact CE2-CB 4.15Å; F132-F142 HydrophobicContact CE2-CD1 4.22Å; F132-F142 HydrophobicContact CE2-CD2 4.23Å; F132-F142 AromaticContact CE2-CG 3.95Å; F132-F142 HydrophobicContact CE2-CG 3.95Å; F132-F142 HydrophobicContact CZ-CB 4.35Å; F132-F142 AromaticContact CZ-CD1 3.73Å; F132-F142 HydrophobicContact CZ-CD1 3.73Å; F132-F142 AromaticContact CZ-CD2 3.67Å; F132-F142 HydrophobicContact CZ-CD2 3.67Å; F132-F142 AromaticContact CZ-CE1 3.85Å; F132-F142 HydrophobicContact CZ-CE1 3.85Å; F132-F142 AromaticContact CZ-CE2 3.78Å; F132-F142 HydrophobicContact CZ-CE2 3.78Å; F132-F142 AromaticContact CZ-CG 3.65Å; F132-F142 HydrophobicContact CZ-CG 3.65Å; F132-F142 AromaticContact CZ-CZ 3.87Å; F132-F142 HydrophobicContact CZ-CZ 3.87Å
133T83.5Confident83Confident89 Ų8944.7 Ų44.755%0.54628%0.278SS..Hα-helixtrans-74.1-19.4178.2-48.70000113.2S129 C131S129-T133 VanDerWaalsContact O-CB 3.27Å; S129-T133 WeakPolarHBondContact O-CB 3.41Å; S129-T133 PolarHBondContact O-N 2.92Å; S129-T133 PolarHBondContact O-OG1 3.1Å; C131-T133 VanDerWaalsContact C-N 3.3Å; C131-T133 PolarHBondContact O-N 3.25Å
134A87.4Confident83.8Confident16 Ų1639.5 Ų39.513%0.13224%0.243CC..Hα-helixtrans-105.52.8-178.800000113.9S130 C131 F132 C167 R168 F169S130-A134 WeakPolarHBondContact O-CB 3.15Å; S130-A134 PolarHBondContact O-N 3.43Å; C131-A134 CarbonylContact O-C 3.52Å; C131-A134 PolarHBondContact O-N 3.32Å; C131-A134 VanDerWaalsContact O-N 3.1Å; F132-A134 VanDerWaalsContact C-N 3.3Å; F132-A134 PolarHBondContact O-N 3.38Å; A134-C167 HydrophobicContact CB-CB 3.93Å; A134-C167 WeakPolarHBondContact O-CA 3.49Å; A134-R168 HydrophobicContact CB-CG 4.4Å; A134-R168 PolarHBondContact O-N 2.93Å; A134-F169 HydrophobicContact CB-CD2 3.89Å; A134-F169 HydrophobicContact CB-CE2 3.67Å
135G86.7Confident84Confident18 Ų1839.8 Ų39.819%0.18624%0.24CC..BIsolated β-bridgetrans-110.7165173.300000111.8C131 H137 F166C131-G135 PolarHBondContact O-N 3.12Å; G135-H137 PolarHBondContact O-N 3.17Å; G135-F166 WeakPolarHBondContact CA-O 3.34Å
136N87Confident83.4Confident106 Ų10644 Ų4457%0.56726%0.258SS*.  trans-85.597.5179.1-168.75000110.8E138 H140N136-E138 PolarHBondContact OD1-N 2.76Å; N136-H140 PolarHBondContact O-CE1 3.36Å
137H84.9Confident82.7Confident13 Ų1343.9 Ų43.96%0.0626%0.257CS..  trans-117.217.5175.2-61.6-86.5000113.3C116 F132 G135 G139 H140 G165C116-H137 PolarHBondContact SG-ND1 2.74Å; C116-H137 VanDerWaalsContact SG-ND1 3.37Å; F132-H137 HydrophobicContact CD2-CB 4.23Å; F132-H137 AromaticContact CD2-CD2 3.62Å; F132-H137 AromaticContact CD2-CG 3.72Å; F132-H137 AromaticContact CD2-NE2 3.88Å; F132-H137 HydrophobicContact CE2-CB 3.61Å; F132-H137 AromaticContact CE2-CD2 3.92Å; F132-H137 AromaticContact CE2-CG 3.53Å; F132-H137 AromaticContact CE2-ND1 3.89Å; F132-H137 HydrophobicContact CZ-CB 3.96Å; F132-H137 PolarHBondContact O-CD2 3.1Å; F132-H137 VanDerWaalsContact O-CD2 3.32Å; G135-H137 PolarHBondContact O-N 3.17Å; H137-G139 PolarHBondContact O-N 2.87Å; H137-H140 AromaticContact ND1-ND1 3.99Å; H137-H140 PolarHBondContact O-N 3.17Å; H137-G165 PolarHBondContact NE2-O 3.24Å
138E78.8Confident81.7Confident173 Ų17351 Ų5181%0.80829%0.29SS*.THydrogen-bonded Turntrans-65.6129.8178.7-169.5167.3-163.600110.9N136 H140N136-E138 PolarHBondContact OD1-N 2.76Å; E138-H140 VanDerWaalsContact C-N 3.3Å; E138-H140 PolarHBondContact O-N 3.07Å
139G76.8Confident80.5Confident85 Ų8553 Ų5388%0.87631%0.308SS*.THydrogen-bonded Turntrans73.87.5-178.800000116.4H137H137-G139 PolarHBondContact O-N 2.87Å
140H82.8Confident80.2Confident50 Ų5052.7 Ų52.723%0.23131%0.307CS..  trans-88.6152.4179.8-67173000113.6C116 T118 C119 N136 H137 E138 F142C116-H140 VanDerWaalsContact SG-CB 3.6Å; T118-H140 HydrophobicContact CG2-CB 4.35Å; C119-H140 VanDerWaalsContact SG-CE1 3.5Å; C119-H140 PolarHBondContact SG-ND1 3.5Å; N136-H140 PolarHBondContact O-CE1 3.36Å; H137-H140 AromaticContact ND1-ND1 3.99Å; H137-H140 PolarHBondContact O-N 3.17Å; E138-H140 VanDerWaalsContact C-N 3.3Å; E138-H140 PolarHBondContact O-N 3.07Å; H140-F142 WeakPolarHBondContact O-CD1 3.45Å; H140-F142 PolarHBondContact O-N 2.95Å
141D75.2Confident80.1Confident43 Ų4349.4 Ų49.423%0.2329%0.286CS..  trans-78.8119.4165.6-177.437.6000108.7R117 T118 K2440R117-D141 WeakPolarHBondContact CD-OD2 3.3Å; R117-D141 IonicContact CZ-OD2 3.46Å; R117-D141 PolarHBondContact N-O 2.84Å; R117-D141 IonicContact NE-OD2 3.13Å; R117-D141 IonicContact NH1-OD1 2.81Å; R117-D141 IonicContact NH1-OD2 3.83Å; R117-D141 PolarHBondContact NH1-OD2 3.05Å; T118-D141 PolarHBondContact N-O 3.35Å; T118-D141 PolarHBondContact OG1-N 2.91Å; D141-K2440 IonicContact OD1-NZ 3.77Å; D141-K2440 PolarHBondContact OD1-NZ 3.04Å; D141-K2440 IonicContact OD2-NZ 3.94Å
142F82.9Confident80Confident22 Ų2249.6 Ų49.610%0.09629%0.288CS..EExtended strand (participates in β ladder)trans-138.8162176.765-94.3000110.4Y114 R115 C116 F132 H140 P2441Y114-F142 HydrophobicContact CD1-CD2 4.05Å; Y114-F142 HydrophobicContact CD1-CE2 4.26Å; Y114-F142 HydrophobicContact CE1-CE2 4.27Å; R115-F142 CarbonylContact O-C 3.47Å; R115-F142 WeakPolarHBondContact O-CA 3.31Å; R115-F142 WeakPolarHBondContact O-CB 3.14Å; C116-F142 HydrophobicContact CB-CB 4.15Å; F132-F142 HydrophobicContact CE1-CD2 4.43Å; F132-F142 HydrophobicContact CE1-CE2 4.22Å; F132-F142 HydrophobicContact CE1-CZ 4.35Å; F132-F142 HydrophobicContact CE2-CB 4.15Å; F132-F142 HydrophobicContact CE2-CD1 4.22Å; F132-F142 HydrophobicContact CE2-CD2 4.23Å; F132-F142 AromaticContact CE2-CG 3.95Å; F132-F142 HydrophobicContact CE2-CG 3.95Å; F132-F142 HydrophobicContact CZ-CB 4.35Å; F132-F142 AromaticContact CZ-CD1 3.73Å; F132-F142 HydrophobicContact CZ-CD1 3.73Å; F132-F142 AromaticContact CZ-CD2 3.67Å; F132-F142 HydrophobicContact CZ-CD2 3.67Å; F132-F142 AromaticContact CZ-CE1 3.85Å; F132-F142 HydrophobicContact CZ-CE1 3.85Å; F132-F142 AromaticContact CZ-CE2 3.78Å; F132-F142 HydrophobicContact CZ-CE2 3.78Å; F132-F142 AromaticContact CZ-CG 3.65Å; F132-F142 HydrophobicContact CZ-CG 3.65Å; F132-F142 AromaticContact CZ-CZ 3.87Å; F132-F142 HydrophobicContact CZ-CZ 3.87Å; H140-F142 WeakPolarHBondContact O-CD1 3.45Å; H140-F142 PolarHBondContact O-N 2.95Å; F142-P2441 HydrophobicContact CD1-CG 4.13Å; F142-P2441 HydrophobicContact CD2-CG 4.14Å; F142-P2441 HydrophobicContact CE1-CB 4.23Å; F142-P2441 HydrophobicContact CE1-CG 3.86Å; F142-P2441 HydrophobicContact CE2-CB 4.18Å; F142-P2441 HydrophobicContact CE2-CG 3.88Å; F142-P2441 HydrophobicContact CG-CG 4.26Å; F142-P2441 HydrophobicContact CZ-CB 3.81Å; F142-P2441 HydrophobicContact CZ-CG 3.73Å; F142-P2441 VanDerWaalsContact O-CD 3.29Å; F142-P2441 WeakPolarHBondContact O-CD 3.45Å; F142-P2441 WeakPolarHBondContact O-CG 3.26Å
143N78.1Confident80.1Confident30 Ų3049 Ų4916%0.1629%0.287CS..EExtended strand (participates in β ladder)trans-135.2136.7165.366.4-43.6000113Y114 R115 R2438 G2439Y114-N143 CarbonylContact C-O 3.58Å; R115-N143 PolarHBondContact N-O 3.29Å; R115-N143 PolarHBondContact O-N 3.46Å; N143-R2438 PolarHBondContact ND2-O 3.4Å; N143-G2439 CarbonylContact C-O 3.56Å; N143-G2439 WeakPolarHBondContact CA-O 3.44Å; N143-G2439 WeakPolarHBondContact CB-O 3.23Å
144K80.1Confident80.3Confident7 Ų745.7 Ų45.73%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-89.3132.3175.1-178.5173.967.5-157.30109.6F112 A113 Y114 D2346 F2349 G2439F112-K144 HydrophobicContact CD1-CG 4.42Å; A113-K144 CarbonylContact O-C 3.48Å; A113-K144 WeakPolarHBondContact O-CA 3.46Å; Y114-K144 HydrophobicContact CD1-CB 3.87Å; Y114-K144 HydrophobicContact CD1-CG 4.23Å; Y114-K144 HydrophobicContact CE1-CB 3.73Å; Y114-K144 HydrophobicContact CE1-CD 3.75Å; Y114-K144 HydrophobicContact CE1-CG 3.86Å; Y114-K144 HydrophobicContact CE2-CD 4.35Å; Y114-K144 HydrophobicContact CE2-CG 4.44Å; Y114-K144 WeakPolarHBondContact OH-CD 3.14Å; K144-D2346 IonicContact NZ-OD1 2.74Å; K144-D2346 PolarHBondContact NZ-OD1 3.15Å; K144-F2349 HydrophobicContact CD-CD1 3.94Å; K144-F2349 HydrophobicContact CD-CE1 3.7Å; K144-F2349 HydrophobicContact CD-CG 4.46Å; K144-F2349 HydrophobicContact CD-CZ 4.02Å; K144-G2439 PolarHBondContact N-O 2.79Å; K144-G2439 WeakPolarHBondContact O-CA 3.33Å
145F75Confident80.5Confident43 Ų4344.9 Ų44.919%0.18926%0.259CS..EExtended strand (participates in β ladder)trans-137.3149.6-178.271.1-76.6000111.5F112 A113 R115 S126F112-F145 WeakPolarHBondContact CA-O 3.38Å; A113-F145 HydrophobicContact CB-CD1 4.34Å; A113-F145 HydrophobicContact CB-CE1 3.62Å; A113-F145 HydrophobicContact CB-CE2 4.38Å; A113-F145 HydrophobicContact CB-CZ 3.66Å; A113-F145 PolarHBondContact N-O 3.16Å; A113-F145 VanDerWaalsContact O-CD1 3.3Å; A113-F145 WeakPolarHBondContact O-CD1 3.47Å; A113-F145 PolarHBondContact O-N 2.88Å; R115-F145 HydrophobicContact CG-CD1 3.9Å; R115-F145 HydrophobicContact CG-CE1 3.46Å; R115-F145 VanDerWaalsContact CG-CE1 3.46Å; R115-F145 HydrophobicContact CG-CZ 4.33Å; S126-F145 WeakPolarHBondContact OG-CZ 3.36Å
146K74.8Confident80.6Confident89 Ų8944.6 Ų44.639%0.38726%0.255SS..EExtended strand (participates in β ladder)trans-90.6116.7169.9-165.6173.7-174.8-179.40107.9N110 Y111 F112N110-K146 VanDerWaalsContact O-CE 3.24Å; N110-K146 WeakPolarHBondContact O-CE 3.45Å; N110-K146 VanDerWaalsContact OD1-CE 3.25Å; N110-K146 WeakPolarHBondContact OD1-CE 3.45Å; N110-K146 PolarHBondContact OD1-NZ 2.87Å; Y111-K146 CarbonylContact O-C 3.6Å; Y111-K146 WeakPolarHBondContact O-CA 3.49Å; F112-K146 HydrophobicContact CD1-CB 4.09Å; F112-K146 HydrophobicContact CD1-CG 4.46Å; F112-K146 HydrophobicContact CE1-CB 3.87Å; F112-K146 HydrophobicContact CE1-CD 4.32Å; F112-K146 HydrophobicContact CE1-CG 4.23Å; F112-K146 HydrophobicContact CE2-CD 4.31Å; F112-K146 HydrophobicContact CZ-CB 4.36Å; F112-K146 HydrophobicContact CZ-CD 3.96Å; F112-K146 HydrophobicContact CZ-CG 4.26Å
147S74.7Confident80.5Confident9 Ų940.2 Ų40.26%0.06323%0.232CC..  trans-71.9133.9179.9-177.50000111N110 Y111 A149 G150N110-S147 WeakPolarHBondContact CA-O 3.37Å; N110-S147 PolarHBondContact N-O 2.72Å; Y111-S147 PolarHBondContact O-N 3.47Å; S147-A149 PolarHBondContact OG-N 3.3Å; S147-G150 WeakPolarHBondContact CB-O 3.48Å; S147-G150 PolarHBondContact OG-N 2.61Å; S147-G150 PolarHBondContact OG-O 2.85Å
148H68.4Low80.4Confident150 Ų15042 Ų4269%0.69425%0.249SC*.SBendtrans-98.9-2.9173.5-65.9-64.3000113.6T109T109-H148 WeakPolarHBondContact CG2-O 3.31Å
149A66.3Low80.4Confident46 Ų4636.8 Ų36.838%0.3823%0.229SC..SBendtrans-133.7-1.2-173.800000114.7S147 N360S147-A149 PolarHBondContact OG-N 3.3Å; A149-N360 HydrophobicContact CB-CB 4.34Å
150G75.9Confident80.4Confident13 Ų1333.1 Ų33.113%0.13419%0.19CC..  trans98.3-167.2-170.500000113.4W107 S147W107-G150 VanDerWaalsContact CD1-C 3.5Å; W107-G150 PolarHBondContact NE1-O 3.41Å; W107-G150 CarbonylContact O-C 3.49Å; W107-G150 WeakPolarHBondContact O-CA 3.42Å; S147-G150 WeakPolarHBondContact CB-O 3.48Å; S147-G150 PolarHBondContact OG-N 2.61Å; S147-G150 PolarHBondContact OG-O 2.85Å
151G82.5Confident80.6Confident13 Ų1330.8 Ų30.813%0.13418%0.179CC..EExtended strand (participates in β ladder)trans163.3171.1176.900000112.2V106 W107 H364V106-G151 CarbonylContact C-O 3.57Å; V106-G151 WeakPolarHBondContact CA-O 3.48Å; V106-G151 WeakPolarHBondContact CG1-O 3.43Å; W107-G151 PolarHBondContact N-O 2.9Å; W107-G151 PolarHBondContact O-N 2.87Å; G151-H364 WeakPolarHBondContact CA-NE2 3.4Å; G151-H364 PolarHBondContact N-CE1 2.83Å; G151-H364 PolarHBondContact N-NE2 3.39Å; G151-H364 PolarHBondContact O-NE2 3.33Å
152A88.2Confident81.2Confident8 Ų833.5 Ų33.57%0.06619%0.189CC..EExtended strand (participates in β ladder)trans-128.8161.917400000110.3V106 W107 I315V106-A152 HydrophobicContact CG2-CB 4.18Å; W107-A152 WeakPolarHBondContact CH2-O 3.31Å; W107-A152 VanDerWaalsContact CZ3-C 3.46Å; A152-I315 HydrophobicContact CB-CG2 4.44Å
153C91.2Very high81.5Confident7 Ų738.8 Ų38.85%0.04721%0.214CC..  trans-91.1109.9-177.9-168.50000112C103 L105 W107 C128 C155C103-C153 HydrophobicContact CB-CB 3.75Å; L105-C153 HydrophobicContact CB-CB 4.42Å; L105-C153 PolarHBondContact O-N 3.33Å; W107-C153 HydrophobicContact CZ3-CB 3.92Å; C128-C153 HydrophobicContact CB-CB 4.29Å; C128-C153 PolarHBondContact N-SG 3.13Å; C153-C155 PolarHBondContact O-N 2.85Å; C153-C155 VanDerWaalsContact SG-CB 3.59Å
154D89.3Confident82Confident18 Ų1841.4 Ų41.410%0.09623%0.234CC..  trans-72.74-179.6-61.9-50.6000114.3M125 S126 G156 D157 V160M125-D154 VanDerWaalsContact CA-OD2 3.25Å; M125-D154 WeakPolarHBondContact CA-OD2 3.44Å; M125-D154 HydrophobicContact CG-CB 4.03Å; M125-D154 HydrophobicContact SD-CB 4.48Å; S126-D154 PolarHBondContact N-OD2 3.32Å; S126-D154 PolarHBondContact O-N 2.93Å; D154-G156 PolarHBondContact O-N 3.43Å; D154-D157 PolarHBondContact O-N 3.47Å; D154-D157 VanDerWaalsContact O-N 3.1Å; D154-V160 HydrophobicContact CB-CG2 3.78Å
155C91.4Very high82.4Confident0 Ų041.1 Ų41.10%023%0.233CC..THydrogen-bonded Turntrans-63.6121-176.5-176.20000112R102 C103 L127 C131 C153 C167R102-C155 CarbonylContact C-O 3.53Å; R102-C155 WeakPolarHBondContact CA-O 3.08Å; C103-C155 HydrophobicContact CB-CB 3.98Å; C103-C155 PolarHBondContact N-O 2.86Å; L127-C155 HydrophobicContact CD2-CB 3.69Å; C131-C155 HydrophobicContact CB-CB 3.67Å; C153-C155 PolarHBondContact O-N 2.85Å; C153-C155 VanDerWaalsContact SG-CB 3.59Å; C155-C167 PolarHBondContact SG-N 3.23Å; C155-C167 VanDerWaalsContact SG-N 3.36Å; C155-C167 VanDerWaalsContact SG-SG 3.66Å
156G88Confident83.2Confident11 Ų1140.5 Ų40.511%0.11323%0.231CC..THydrogen-bonded Turntrans96.2-3.3-178.100000114.1A101 D154 F166A101-G156 WeakPolarHBondContact O-CA 3.46Å; D154-G156 PolarHBondContact O-N 3.43Å; G156-F166 VanDerWaalsContact C-CE1 3.49Å; G156-F166 VanDerWaalsContact C-CZ 3.42Å; G156-F166 VanDerWaalsContact CA-CE1 3.45Å; G156-F166 WeakPolarHBondContact O-CZ 3.28Å
157D84.8Confident84Confident14 Ų1436.4 Ų36.48%0.07521%0.213CC..  trans-94.9104.2173.6-162.3-29.7000112R102 D154 T159 V160 M161R102-D157 HydrophobicContact CG-CB 4.32Å; R102-D157 IonicContact CZ-OD2 2.88Å; R102-D157 IonicContact NE-OD1 2.63Å; R102-D157 IonicContact NE-OD2 2.63Å; R102-D157 PolarHBondContact NE-OD2 3.34Å; R102-D157 IonicContact NH2-OD1 3.73Å; R102-D157 IonicContact NH2-OD2 3.23Å; R102-D157 PolarHBondContact NH2-OD2 2.93Å; D154-D157 PolarHBondContact O-N 3.47Å; D154-D157 VanDerWaalsContact O-N 3.1Å; D157-T159 VanDerWaalsContact CG-OG1 3.29Å; D157-T159 PolarHBondContact O-N 3.36Å; D157-T159 VanDerWaalsContact O-N 3.16Å; D157-T159 VanDerWaalsContact OD1-CB 3.31Å; D157-T159 WeakPolarHBondContact OD1-CB 3.44Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.47Å; D157-T159 PolarHBondContact OD1-N 2.63Å; D157-T159 PolarHBondContact OD1-OG1 3.36Å; D157-V160 HydrophobicContact CB-CG2 3.78Å; D157-V160 PolarHBondContact O-N 3.04Å; D157-M161 PolarHBondContact O-N 3.19Å; D157-M161 VanDerWaalsContact O-N 3.17Å
158A84.3Confident84.6Confident50 Ų5044.5 Ų44.541%0.41324%0.242SC..THydrogen-bonded Turntrans-65-12.8178.900000113.8M121 M161 E163 F166M121-A158 WeakPolarHBondContact CE-O 3.32Å; A158-M161 WeakPolarHBondContact CA-O 3.47Å; A158-E163 HydrophobicContact CB-CG 4.43Å; A158-F166 HydrophobicContact CB-CZ 4.1Å
159T77.1Confident85.4Confident64 Ų6442.7 Ų42.739%0.39323%0.233SC..THydrogen-bonded Turntrans-81.2-18.3178.968.60000113.5M121 D157M121-T159 VanDerWaalsContact CE-C 3.46Å; M121-T159 VanDerWaalsContact CE-O 3.27Å; M121-T159 WeakPolarHBondContact CE-O 3.48Å; D157-T159 VanDerWaalsContact CG-OG1 3.29Å; D157-T159 PolarHBondContact O-N 3.36Å; D157-T159 VanDerWaalsContact O-N 3.16Å; D157-T159 VanDerWaalsContact OD1-CB 3.31Å; D157-T159 WeakPolarHBondContact OD1-CB 3.44Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.47Å; D157-T159 PolarHBondContact OD1-N 2.63Å; D157-T159 PolarHBondContact OD1-OG1 3.36Å
160V77.7Confident86.5Confident9 Ų941.7 Ų41.76%0.05522%0.22CC..THydrogen-bonded Turntrans-124.7-17.2-176.9-70.90000114.2M121 D154 D157M121-V160 PolarHBondContact N-O 2.96Å; D154-V160 HydrophobicContact CB-CG2 3.78Å; D157-V160 HydrophobicContact CB-CG2 3.78Å; D157-V160 PolarHBondContact O-N 3.04Å
161M86.4Confident87Confident0 Ų041.1 Ų41.10%021%0.214CC..BIsolated β-bridgetrans-142.1154.917172.3-178.3-64.400112.8C119 M125 L127 D157 A158 G165 F166C119-M161 HydrophobicContact CB-CE 4.23Å; C119-M161 WeakPolarHBondContact O-CA 3.14Å; M125-M161 HydrophobicContact CE-CB 4.39Å; M125-M161 HydrophobicContact CG-CB 3.99Å; M125-M161 HydrophobicContact SD-CB 4.36Å; M125-M161 HydrophobicContact SD-SD 4.47Å; L127-M161 HydrophobicContact CD1-CE 4.23Å; L127-M161 HydrophobicContact CD2-CE 4.13Å; L127-M161 HydrophobicContact CD2-SD 3.84Å; D157-M161 PolarHBondContact O-N 3.19Å; D157-M161 VanDerWaalsContact O-N 3.17Å; A158-M161 WeakPolarHBondContact CA-O 3.47Å; M161-G165 WeakPolarHBondContact CE-O 3.48Å; M161-F166 HydrophobicContact CE-CD1 4.18Å; M161-F166 HydrophobicContact CG-CD1 3.95Å; M161-F166 HydrophobicContact CG-CE1 3.62Å; M161-F166 HydrophobicContact SD-CD1 3.9Å; M161-F166 HydrophobicContact SD-CE1 4.11Å
162K87.6Confident87Confident100 Ų10046.5 Ų46.544%0.43524%0.239SC..  trans-67.7138.5174.3-60.6165.9-168.3164.60110.7T118 C119 M121 S164 G165T118-K162 PolarHBondContact O-NZ 3.37Å; C119-K162 WeakPolarHBondContact O-CG 3.21Å; C119-K162 PolarHBondContact O-N 3.11Å; M121-K162 HydrophobicContact CG-CG 4.44Å; K162-S164 PolarHBondContact O-N 2.91Å; K162-S164 VanDerWaalsContact O-N 3.12Å; K162-G165 PolarHBondContact O-N 2.92Å
163E89.2Confident86.6Confident133 Ų13350.9 Ų50.962%0.62126%0.262SS*.G310 helixtrans-55-32178.6-55.2-175143.700113.2A158 G165 F166A158-E163 HydrophobicContact CB-CG 4.43Å; E163-G165 PolarHBondContact O-N 2.95Å; E163-F166 HydrophobicContact CB-CD2 4.12Å; E163-F166 HydrophobicContact CB-CE2 3.91Å; E163-F166 HydrophobicContact CB-CZ 4.3Å; E163-F166 HydrophobicContact CG-CE2 3.8Å; E163-F166 HydrophobicContact CG-CZ 4Å; E163-F166 WeakPolarHBondContact O-CB 3.26Å; E163-F166 WeakPolarHBondContact O-CG 3.37Å; E163-F166 PolarHBondContact O-N 3.03Å
164S88.9Confident86Confident85 Ų8553.8 Ų53.859%0.59427%0.273SS*.G310 helixtrans-61.2-15.8176.365.40000114.3K162K162-S164 PolarHBondContact O-N 2.91Å; K162-S164 VanDerWaalsContact O-N 3.12Å
165G88.9Confident85.6Confident1 Ų154.9 Ų54.91%0.0128%0.281CS..G310 helixtrans-99.50.4173.500000114.5H137 M161 K162 E163H137-G165 PolarHBondContact NE2-O 3.24Å; M161-G165 WeakPolarHBondContact CE-O 3.48Å; K162-G165 PolarHBondContact O-N 2.92Å; E163-G165 PolarHBondContact O-N 2.95Å
166F92.5Very high84.5Confident30 Ų3061.7 Ų61.713%0.13231%0.312CS..  trans-64.4149.4177.2-67.1-12.8000111.2G135 G156 A158 M161 E163G135-F166 WeakPolarHBondContact CA-O 3.34Å; G156-F166 VanDerWaalsContact C-CE1 3.49Å; G156-F166 VanDerWaalsContact C-CZ 3.42Å; G156-F166 VanDerWaalsContact CA-CE1 3.45Å; G156-F166 WeakPolarHBondContact O-CZ 3.28Å; A158-F166 HydrophobicContact CB-CZ 4.1Å; M161-F166 HydrophobicContact CE-CD1 4.18Å; M161-F166 HydrophobicContact CG-CD1 3.95Å; M161-F166 HydrophobicContact CG-CE1 3.62Å; M161-F166 HydrophobicContact SD-CD1 3.9Å; M161-F166 HydrophobicContact SD-CE1 4.11Å; E163-F166 HydrophobicContact CB-CD2 4.12Å; E163-F166 HydrophobicContact CB-CE2 3.91Å; E163-F166 HydrophobicContact CB-CZ 4.3Å; E163-F166 HydrophobicContact CG-CE2 3.8Å; E163-F166 HydrophobicContact CG-CZ 4Å; E163-F166 WeakPolarHBondContact O-CB 3.26Å; E163-F166 WeakPolarHBondContact O-CG 3.37Å; E163-F166 PolarHBondContact O-N 3.03Å
167C91.1Very high83.7Confident3 Ų368.9 Ų68.92%0.0235%0.348CS..BIsolated β-bridgetrans-80.9152.8172.394.80000110.9C131 A134 C155 F169 H170C131-C167 HydrophobicContact CB-CB 4.09Å; C131-C167 WeakPolarHBondContact O-CB 3.45Å; A134-C167 HydrophobicContact CB-CB 3.93Å; A134-C167 WeakPolarHBondContact O-CA 3.49Å; C155-C167 PolarHBondContact SG-N 3.23Å; C155-C167 VanDerWaalsContact SG-N 3.36Å; C155-C167 VanDerWaalsContact SG-SG 3.66Å; C167-F169 PolarHBondContact O-N 3.41Å; C167-H170 PolarHBondContact O-N 3Å; C167-H170 VanDerWaalsContact O-O 3.07Å; C167-H170 PolarHBondContact SG-ND1 3.03Å
168R87Confident83.4Confident179 Ų17971.1 Ų71.168%0.67536%0.355SS*.THydrogen-bonded Turntrans-59.2-3.5-176.169.1-173.5174.3-166.5-4.9116.3A134 K174A134-R168 HydrophobicContact CB-CG 4.4Å; A134-R168 PolarHBondContact O-N 2.93Å; R168-K174 WeakPolarHBondContact O-CE 3.11Å
169F85.2Confident83.1Confident112 Ų11271.1 Ų71.149%0.49135%0.351SS..THydrogen-bonded Turntrans-108.4-9.7-179.7-53.2-66.5000114A134 C167A134-F169 HydrophobicContact CB-CD2 3.89Å; A134-F169 HydrophobicContact CB-CE2 3.67Å; C167-F169 PolarHBondContact O-N 3.41Å
170H89.2Confident83.4Confident26 Ų2674.1 Ų74.112%0.1237%0.369CS..  trans-128161-179.7-56.3114.6000110.8C103 C131 C167C103-H170 WeakPolarHBondContact CA-NE2 3.14Å; C103-H170 VanDerWaalsContact CB-CE1 3.41Å; C103-H170 WeakPolarHBondContact CB-CE1 3.32Å; C131-H170 VanDerWaalsContact SG-CE1 3.5Å; C167-H170 PolarHBondContact O-N 3Å; C167-H170 VanDerWaalsContact O-O 3.07Å; C167-H170 PolarHBondContact SG-ND1 3.03Å
171G86.9Confident84Confident1 Ų174.6 Ų74.61%0.0137%0.373CS..SBendtrans119.5155.8-169.800000112.2A101 D173 K174A101-G171 PolarHBondContact O-N 3.29Å; G171-D173 VanDerWaalsContact C-N 3.25Å; G171-D173 PolarHBondContact O-N 3.44Å; G171-K174 PolarHBondContact O-N 3.33Å; G171-K174 VanDerWaalsContact O-N 3.13Å
172L81.7Confident84.1Confident125 Ų12577.8 Ų77.865%0.65439%0.393SS*.G310 helixtrans-61.5-34.9-178.7-67172000112.2A101 K174 V175 H176A101-L172 HydrophobicContact CB-CD2 4.37Å; L172-K174 PolarHBondContact O-N 3.49Å; L172-V175 PolarHBondContact O-N 3.26Å; L172-V175 VanDerWaalsContact O-N 3.16Å; L172-H176 PolarHBondContact O-CD2 3.02Å
173D80.9Confident84.2Confident101 Ų10176.8 Ų76.854%0.5439%0.393SS..G310 helixtrans-64-21.7177.977.3-46.3000113.4G171G171-D173 VanDerWaalsContact C-N 3.25Å; G171-D173 PolarHBondContact O-N 3.44Å
174K78.5Confident84Confident67 Ų6774.1 Ų74.129%0.29138%0.383SS..G310 helixtrans-83.7-14.3177.4-47.8-49.5175.8-158.40113.8R168 G171 L172R168-K174 WeakPolarHBondContact O-CE 3.11Å; G171-K174 PolarHBondContact O-N 3.33Å; G171-K174 VanDerWaalsContact O-N 3.13Å; L172-K174 PolarHBondContact O-N 3.49Å
175V80.5Confident84Confident41 Ų4171.6 Ų71.625%0.24836%0.362CS..THydrogen-bonded Turntrans-90.7-26.5-179.4-179.40000111.9A101 L172 N177 R178A101-V175 HydrophobicContact CB-CG2 3.9Å; L172-V175 PolarHBondContact O-N 3.26Å; L172-V175 VanDerWaalsContact O-N 3.16Å; V175-N177 PolarHBondContact O-N 2.88Å; V175-R178 PolarHBondContact O-N 2.7Å; V175-R178 VanDerWaalsContact O-N 3.11Å
176H68.8Low84.2Confident144 Ų14471.5 Ų71.567%0.66736%0.362SS*.THydrogen-bonded Turntrans-62.1121.8173.5-73.4-74.1000110.7L172L172-H176 PolarHBondContact O-CD2 3.02Å
177N69.8Low84.2Confident162 Ų16270.1 Ų70.187%0.86636%0.356SS*.THydrogen-bonded Turntrans71.828.8-173.1-41.8-64000116V175V175-N177 PolarHBondContact O-N 2.88Å
178R78.5Confident84.3Confident60 Ų6070.2 Ų70.223%0.22636%0.357CS..PPolyproline II helixtrans-48.6124.5167.7177.9-173.6-64.1134.8-9.3110.8Y99 V175 W235Y99-R178 HydrophobicContact CD2-CG 4.4Å; Y99-R178 VanDerWaalsContact O-CZ 3.24Å; Y99-R178 PolarHBondContact O-NE 3.48Å; Y99-R178 PolarHBondContact O-NH2 2.92Å; V175-R178 PolarHBondContact O-N 2.7Å; V175-R178 VanDerWaalsContact O-N 3.11Å; R178-W235 VanDerWaalsContact CZ-CE3 3.41Å; R178-W235 VanDerWaalsContact NH1-CZ2 3.27Å; R178-W235 VanDerWaalsContact NH1-CZ3 3.35Å; R178-W235 VanDerWaalsContact NH2-CD2 3.29Å; R178-W235 VanDerWaalsContact NH2-CE2 3.31Å
179P78.4Confident84.7Confident50 Ų5062.1 Ų62.133%0.32533%0.326SS..PPolyproline II helixtrans-68.7144176.327.9-33.8000111.6Y97 Y99Y97-P179 HydrophobicContact CD1-CB 4.08Å; Y97-P179 HydrophobicContact CD1-CG 3.93Å; Y97-P179 HydrophobicContact CE1-CB 4.25Å; Y97-P179 HydrophobicContact CE1-CG 4.45Å; Y99-P179 HydrophobicContact CD2-CG 4.05Å; Y99-P179 HydrophobicContact CE2-CG 3.59Å
180V84.6Confident85.2Confident128 Ų12862.1 Ų62.178%0.77632%0.323SS*.PPolyproline II helixtrans-84.4128.1175.8-177.90000109.3
181P88.9Confident85.4Confident19 Ų1962.5 Ų62.512%0.12333%0.329CS..PPolyproline II helixtrans-69.1140.117529.8-35.7000110.7Y97 D183 V186 V236Y97-P181 HydrophobicContact CD1-CB 4.01Å; Y97-P181 HydrophobicContact CD2-CB 4.37Å; Y97-P181 HydrophobicContact CE1-CB 4.19Å; Y97-P181 HydrophobicContact CG-CB 4.13Å; P181-D183 PolarHBondContact O-N 3.09Å; P181-V186 HydrophobicContact CB-CG1 4.1Å; P181-V186 HydrophobicContact CG-CG1 4.17Å; P181-V236 HydrophobicContact CG-CG1 3.84Å; P181-V236 HydrophobicContact CG-CG2 4.1Å
182P89.9Confident85.8Confident67 Ų6762.9 Ų62.944%0.43533%0.33SS..PPolyproline II helixtrans-57.8136.2175.3-24.233.5000111.7Y97 D184 L185Y97-P182 WeakPolarHBondContact OH-CD 3.22Å; P182-D184 HydrophobicContact CB-CB 4.33Å; P182-D184 PolarHBondContact O-N 3.43Å; P182-D184 VanDerWaalsContact O-N 3.13Å; P182-L185 VanDerWaalsContact O-CB 3.28Å; P182-L185 WeakPolarHBondContact O-CB 3.44Å; P182-L185 PolarHBondContact O-N 3.12Å
183D88.3Confident86.5Confident78 Ų7857 Ų5742%0.41730%0.299SS..Hα-helixtrans-55.6-32.9176.6-78.8-62.2000112.5P181 L185 V186 A187 R190P181-D183 PolarHBondContact O-N 3.09Å; D183-L185 PolarHBondContact O-N 3.02Å; D183-V186 PolarHBondContact O-N 2.96Å; D183-A187 VanDerWaalsContact O-CB 3.27Å; D183-A187 WeakPolarHBondContact O-CB 3.48Å; D183-A187 PolarHBondContact O-N 3.4Å; D183-R190 IonicContact OD1-CZ 2.65Å; D183-R190 IonicContact OD1-NH1 2.98Å; D183-R190 PolarHBondContact OD1-NH1 3.08Å; D183-R190 IonicContact OD1-NH2 3.18Å; D183-R190 PolarHBondContact OD1-NH2 2.97Å
184D86.4Confident87.2Confident77 Ų7753.5 Ų53.541%0.41228%0.282SS..Hα-helixtrans-50.9-21170.3-123.236.4000114.8R34 P182R34-D184 VanDerWaalsContact CZ-CG 3.41Å; R34-D184 VanDerWaalsContact CZ-O 3.26Å; R34-D184 IonicContact CZ-OD1 3.27Å; R34-D184 IonicContact CZ-OD2 3.43Å; R34-D184 PolarHBondContact NE-O 2.81Å; R34-D184 VanDerWaalsContact NE-O 3.12Å; R34-D184 IonicContact NH1-OD1 2.84Å; R34-D184 PolarHBondContact NH1-OD1 3.34Å; R34-D184 IonicContact NH1-OD2 3.43Å; R34-D184 PolarHBondContact NH1-OD2 3.08Å; R34-D184 PolarHBondContact NH2-O 3.48Å; R34-D184 IonicContact NH2-OD1 2.66Å; R34-D184 IonicContact NH2-OD2 3Å; R34-D184 PolarHBondContact NH2-OD2 3.03Å; P182-D184 HydrophobicContact CB-CB 4.33Å; P182-D184 PolarHBondContact O-N 3.43Å; P182-D184 VanDerWaalsContact O-N 3.13Å
185L88.4Confident88Confident32 Ų3251.2 Ų51.217%0.16828%0.275CS..Hα-helixtrans-100.3-26.2178.1-172.267.2000113.1L90 K93 L94 Y97 P182 D183L90-L185 HydrophobicContact CD1-CD1 3.65Å; L90-L185 HydrophobicContact CD1-CG 4.23Å; K93-L185 HydrophobicContact CB-CD1 4.16Å; K93-L185 HydrophobicContact CB-CD2 4.27Å; K93-L185 HydrophobicContact CD-CD1 4.21Å; L94-L185 HydrophobicContact CD2-CD2 3.95Å; L94-L185 HydrophobicContact CD2-CG 4.1Å; L94-L185 HydrophobicContact CG-CD2 4.44Å; Y97-L185 HydrophobicContact CE2-CD2 4.25Å; P182-L185 VanDerWaalsContact O-CB 3.28Å; P182-L185 WeakPolarHBondContact O-CB 3.44Å; P182-L185 PolarHBondContact O-N 3.12Å; D183-L185 PolarHBondContact O-N 3.02Å
186V92.4Very high88.8Confident0 Ų049.3 Ų49.30%026%0.263CS..Hα-helixtrans-123.3-21.5-166-660000115.4L94 P181 D183 L189 R190 V236 M240L94-V186 HydrophobicContact CD2-CG1 3.79Å; P181-V186 HydrophobicContact CB-CG1 4.1Å; P181-V186 HydrophobicContact CG-CG1 4.17Å; D183-V186 PolarHBondContact O-N 2.96Å; V186-L189 WeakPolarHBondContact O-CB 3.47Å; V186-L189 PolarHBondContact O-N 3.32Å; V186-L189 VanDerWaalsContact O-N 3.15Å; V186-R190 WeakPolarHBondContact O-CB 3.41Å; V186-R190 PolarHBondContact O-N 2.93Å; V186-V236 HydrophobicContact CG1-CG1 4.18Å; V186-M240 HydrophobicContact CB-CE 3.85Å; V186-M240 HydrophobicContact CB-SD 4.3Å; V186-M240 HydrophobicContact CG1-CE 4.08Å; V186-M240 HydrophobicContact CG2-CE 4.07Å
187A93.4Very high90.1Very high1 Ų142.4 Ų42.41%0.00823%0.231CC..Hα-helixtrans-59.7-41.8-177.700000113.6C37 V38 D183 L189 R190 C191C37-A187 HydrophobicContact CB-CB 3.98Å; V38-A187 HydrophobicContact CG2-CB 3.93Å; D183-A187 VanDerWaalsContact O-CB 3.27Å; D183-A187 WeakPolarHBondContact O-CB 3.48Å; D183-A187 PolarHBondContact O-N 3.4Å; A187-L189 VanDerWaalsContact C-N 3.3Å; A187-L189 PolarHBondContact O-N 3.41Å; A187-R190 PolarHBondContact O-N 3.19Å; A187-C191 WeakPolarHBondContact O-CB 3.45Å; A187-C191 PolarHBondContact O-N 2.78Å; A187-C191 PolarHBondContact O-SG 2.73Å
188P93.8Very high91.3Very high5 Ų535.3 Ų35.33%0.03219%0.194CC..Hα-helixtrans-59.6-39174.6-25.135.9000113.2F33 R34 C37 L192F33-P188 HydrophobicContact CE1-CB 4.12Å; R34-P188 HydrophobicContact CB-CG 4.32Å; R34-P188 HydrophobicContact CG-CG 4.06Å; C37-P188 HydrophobicContact CB-CG 4.41Å; P188-L192 WeakPolarHBondContact O-CB 3.38Å; P188-L192 VanDerWaalsContact O-CG 3.31Å; P188-L192 WeakPolarHBondContact O-CG 3.27Å; P188-L192 PolarHBondContact O-N 3.21Å
189L94.5Very high92.1Very high8 Ų832.4 Ų32.44%0.04218%0.183CC..Hα-helixtrans-67.9-50175.4178.362.8000110.7F77 I81 V186 A187 C191 L192 L193 L230 T237F77-L189 HydrophobicContact CE1-CD1 4.42Å; F77-L189 HydrophobicContact CE2-CD1 4.46Å; F77-L189 HydrophobicContact CZ-CD1 3.71Å; I81-L189 HydrophobicContact CD1-CD1 4.21Å; I81-L189 HydrophobicContact CG2-CB 4.1Å; I81-L189 HydrophobicContact CG2-CD1 4.11Å; V186-L189 WeakPolarHBondContact O-CB 3.47Å; V186-L189 PolarHBondContact O-N 3.32Å; V186-L189 VanDerWaalsContact O-N 3.15Å; A187-L189 VanDerWaalsContact C-N 3.3Å; A187-L189 PolarHBondContact O-N 3.41Å; L189-C191 PolarHBondContact O-N 3.01Å; L189-L192 PolarHBondContact O-N 3.45Å; L189-L192 VanDerWaalsContact O-N 3.13Å; L189-L193 HydrophobicContact CD1-CD1 4.33Å; L189-L193 VanDerWaalsContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CB 3.39Å; L189-L193 PolarHBondContact O-N 3.47Å; L189-L230 HydrophobicContact CD1-CD1 3.88Å; L189-L230 HydrophobicContact CD1-CD2 4.29Å; L189-L230 HydrophobicContact CD2-CD2 4.01Å; L189-T237 HydrophobicContact CD2-CG2 3.85Å
190R94.7Very high92.8Very high112 Ų11230.1 Ų30.142%0.42317%0.168SC..Hα-helixtrans-54.4-39.4178.9-166.6-168.9-65.2139.1-4.6112.2D183 V186 A187 P194D183-R190 IonicContact OD1-CZ 2.65Å; D183-R190 IonicContact OD1-NH1 2.98Å; D183-R190 PolarHBondContact OD1-NH1 3.08Å; D183-R190 IonicContact OD1-NH2 3.18Å; D183-R190 PolarHBondContact OD1-NH2 2.97Å; V186-R190 WeakPolarHBondContact O-CB 3.41Å; V186-R190 PolarHBondContact O-N 2.93Å; A187-R190 PolarHBondContact O-N 3.19Å; R190-P194 WeakPolarHBondContact O-CD 3.48Å
191C94.4Very high93.3Very high35 Ų3524 Ų2424%0.23613%0.131CC..Hα-helixtrans-74.5-33.9178.5-69.60000114.2F47 A187 L189F47-C191 HydrophobicContact CE2-CB 3.87Å; F47-C191 HydrophobicContact CZ-CB 4.11Å; A187-C191 WeakPolarHBondContact O-CB 3.45Å; A187-C191 PolarHBondContact O-N 2.78Å; A187-C191 PolarHBondContact O-SG 2.73Å; L189-C191 PolarHBondContact O-N 3.01Å
192L95.6Very high93.5Very high8 Ų823.6 Ų23.64%0.04213%0.127CC..Hα-helixtrans-89.1-30.6-176-69.2175.7000113.7F33 V50 F54 F77 L80 I81 P188 L189 P194 S195 F196F33-L192 HydrophobicContact CE1-CD1 3.85Å; F33-L192 HydrophobicContact CE1-CD2 4.4Å; F33-L192 HydrophobicContact CE1-CG 4.1Å; F33-L192 HydrophobicContact CZ-CD1 4.01Å; F33-L192 HydrophobicContact CZ-CD2 3.72Å; F33-L192 HydrophobicContact CZ-CG 3.78Å; V50-L192 HydrophobicContact CG1-CD2 3.63Å; F54-L192 HydrophobicContact CD2-CD2 3.94Å; F54-L192 HydrophobicContact CE2-CD2 4.37Å; F54-L192 HydrophobicContact CG-CD2 4.38Å; F77-L192 HydrophobicContact CD2-CB 3.85Å; F77-L192 HydrophobicContact CD2-CD1 4Å; F77-L192 HydrophobicContact CE2-CB 3.6Å; F77-L192 HydrophobicContact CE2-CD1 4.4Å; L80-L192 HydrophobicContact CB-CD1 3.85Å; L80-L192 HydrophobicContact CD1-CD1 4.09Å; I81-L192 HydrophobicContact CG2-CD1 4.13Å; P188-L192 WeakPolarHBondContact O-CB 3.38Å; P188-L192 VanDerWaalsContact O-CG 3.31Å; P188-L192 WeakPolarHBondContact O-CG 3.27Å; P188-L192 PolarHBondContact O-N 3.21Å; L189-L192 PolarHBondContact O-N 3.45Å; L189-L192 VanDerWaalsContact O-N 3.13Å; L192-P194 VanDerWaalsContact C-CD 3.49Å; L192-S195 PolarHBondContact O-N 3.22Å; L192-F196 PolarHBondContact O-N 2.73Å
193L95.9Very high93.5Very high1 Ų121.2 Ų21.21%0.00511%0.11CC..Hα-helixtrans-57.1-39.5-171.1-165.764.7000114.7F77 L189 F196 L197 L227 M240 I241 V244F77-L193 HydrophobicContact CZ-CD1 4.4Å; L189-L193 HydrophobicContact CD1-CD1 4.33Å; L189-L193 VanDerWaalsContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CB 3.39Å; L189-L193 PolarHBondContact O-N 3.47Å; L193-F196 PolarHBondContact O-N 3.01Å; L193-L197 HydrophobicContact CD1-CD1 4.28Å; L193-L197 HydrophobicContact CD1-CG 4.44Å; L193-L197 HydrophobicContact CG-CD1 4.05Å; L193-L197 PolarHBondContact O-N 2.9Å; L193-L227 HydrophobicContact CD1-CD2 4.13Å; L193-M240 HydrophobicContact CD2-CB 4Å; L193-M240 WeakPolarHBondContact CD2-O 3.3Å; L193-I241 HydrophobicContact CD1-CG1 4.24Å; L193-I241 HydrophobicContact CD2-CB 4.47Å; L193-I241 HydrophobicContact CD2-CG1 3.84Å; L193-V244 HydrophobicContact CD2-CG2 4.38Å
194P96.3Very high93.6Very high28 Ų2817.7 Ų17.718%0.1829%0.091CC..Hα-helixtrans-61.4-48.1174.7-21.633000112.6R190 L192 F196 S198 V244 V250R190-P194 WeakPolarHBondContact O-CD 3.48Å; L192-P194 VanDerWaalsContact C-CD 3.49Å; P194-F196 VanDerWaalsContact C-N 3.31Å; P194-F196 PolarHBondContact O-N 3.04Å; P194-S198 VanDerWaalsContact O-CB 3.28Å; P194-S198 WeakPolarHBondContact O-CB 3.13Å; P194-S198 PolarHBondContact O-N 2.92Å; P194-S198 PolarHBondContact O-OG 2.89Å; P194-S198 VanDerWaalsContact O-OG 3.08Å; P194-V244 HydrophobicContact CB-CG1 3.97Å; P194-V244 HydrophobicContact CG-CG1 4Å; P194-V244 HydrophobicContact CG-CG2 3.94Å; P194-V250 HydrophobicContact CB-CG1 3.95Å; P194-V250 HydrophobicContact CB-CG2 4.14Å
195S95Very high93.8Very high20 Ų2014.7 Ų14.714%0.147%0.074CC..Hα-helixtrans-62.2-38.6176.5-97.40000112.3F54 L192 A199F54-S195 WeakPolarHBondContact O-CB 3.21Å; F54-S195 PolarHBondContact O-OG 3.05Å; L192-S195 PolarHBondContact O-N 3.22Å; S195-A199 WeakPolarHBondContact O-CB 3.36Å; S195-A199 PolarHBondContact O-N 2.93Å
196F96.1Very high93.6Very high0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-67.6-46.8-179.5-165.6-89.4000112.3F54 F59 T74 F77 L192 L193 P194 A199 L200 A223 I226 L227F54-F196 HydrophobicContact CD1-CD2 4.46Å; F54-F196 HydrophobicContact CE1-CD2 4.28Å; F59-F196 HydrophobicContact CE1-CE2 4.17Å; F59-F196 AromaticContact CZ-CD2 3.94Å; F59-F196 HydrophobicContact CZ-CD2 3.94Å; F59-F196 HydrophobicContact CZ-CE1 4.3Å; F59-F196 AromaticContact CZ-CE2 3.66Å; F59-F196 HydrophobicContact CZ-CE2 3.66Å; F59-F196 HydrophobicContact CZ-CG 4.39Å; F59-F196 AromaticContact CZ-CZ 3.85Å; F59-F196 HydrophobicContact CZ-CZ 3.85Å; T74-F196 HydrophobicContact CG2-CZ 4.33Å; F77-F196 HydrophobicContact CB-CD2 3.95Å; F77-F196 HydrophobicContact CB-CE2 3.7Å; F77-F196 HydrophobicContact CD1-CD2 4.01Å; F77-F196 AromaticContact CD1-CE2 3.72Å; F77-F196 HydrophobicContact CD1-CE2 3.72Å; F77-F196 HydrophobicContact CD1-CZ 4.15Å; F77-F196 HydrophobicContact CD2-CB 4.25Å; F77-F196 AromaticContact CD2-CD2 3.38Å; F77-F196 HydrophobicContact CD2-CD2 3.38Å; F77-F196 AromaticContact CD2-CE2 3.91Å; F77-F196 HydrophobicContact CD2-CE2 3.91Å; F77-F196 AromaticContact CD2-CG 3.99Å; F77-F196 HydrophobicContact CD2-CG 3.99Å; F77-F196 HydrophobicContact CE1-CD2 4.3Å; F77-F196 HydrophobicContact CE1-CE2 4.24Å; F77-F196 HydrophobicContact CE1-CZ 4.4Å; F77-F196 HydrophobicContact CE2-CB 3.88Å; F77-F196 AromaticContact CE2-CD2 3.72Å; F77-F196 HydrophobicContact CE2-CD2 3.72Å; F77-F196 HydrophobicContact CE2-CE2 4.41Å; F77-F196 AromaticContact CE2-CG 3.83Å; F77-F196 HydrophobicContact CE2-CG 3.83Å; F77-F196 AromaticContact CG-CD2 3.53Å; F77-F196 HydrophobicContact CG-CD2 3.53Å; F77-F196 AromaticContact CG-CE2 3.52Å; F77-F196 HydrophobicContact CG-CE2 3.52Å; F77-F196 HydrophobicContact CG-CG 4.4Å; F77-F196 HydrophobicContact CG-CZ 4.4Å; F77-F196 HydrophobicContact CZ-CB 4.43Å; F77-F196 HydrophobicContact CZ-CD1 4.46Å; F77-F196 HydrophobicContact CZ-CD2 4.17Å; F77-F196 HydrophobicContact CZ-CG 4.11Å; L192-F196 PolarHBondContact O-N 2.73Å; L193-F196 PolarHBondContact O-N 3.01Å; P194-F196 VanDerWaalsContact C-N 3.31Å; P194-F196 PolarHBondContact O-N 3.04Å; F196-A199 PolarHBondContact O-N 2.94Å; F196-L200 PolarHBondContact O-N 2.71Å; F196-A223 HydrophobicContact CE1-CB 3.9Å; F196-A223 HydrophobicContact CZ-CB 3.71Å; F196-I226 HydrophobicContact CE1-CG2 3.97Å; F196-I226 HydrophobicContact CZ-CG2 3.66Å; F196-L227 HydrophobicContact CD1-CD2 4.48Å; F196-L227 HydrophobicContact CE1-CD1 4.28Å; F196-L227 HydrophobicContact CE1-CG 4.14Å
197L96.6Very high93Very high0 Ų019.6 Ų19.60%010%0.096CC..Hα-helixtrans-68.3-40.8177.4-74.5168.9000112L193 A199 L200 L201 L227 V244 M245 L293 F297L193-L197 HydrophobicContact CD1-CD1 4.28Å; L193-L197 HydrophobicContact CD1-CG 4.44Å; L193-L197 HydrophobicContact CG-CD1 4.05Å; L193-L197 PolarHBondContact O-N 2.9Å; L197-A199 VanDerWaalsContact C-N 3.31Å; L197-A199 PolarHBondContact O-N 3.47Å; L197-L200 PolarHBondContact O-N 3.38Å; L197-L201 WeakPolarHBondContact O-CB 3.27Å; L197-L201 PolarHBondContact O-N 3.33Å; L197-L227 HydrophobicContact CD2-CD1 3.71Å; L197-L227 HydrophobicContact CD2-CD2 4.05Å; L197-V244 HydrophobicContact CD1-CB 4.26Å; L197-V244 HydrophobicContact CD1-CG1 3.73Å; L197-M245 HydrophobicContact CD1-CG 4.02Å; L197-L293 HydrophobicContact CB-CD1 4.09Å; L197-F297 HydrophobicContact CD2-CE2 4.4Å; L197-F297 HydrophobicContact CD2-CZ 4.29Å
198S96.3Very high91.7Very high12 Ų1220.1 Ų20.18%0.08410%0.101CC..Hα-helixtrans-61.3-36.8173.3-700000112.9P194 Y202P194-S198 VanDerWaalsContact O-CB 3.28Å; P194-S198 WeakPolarHBondContact O-CB 3.13Å; P194-S198 PolarHBondContact O-N 2.92Å; P194-S198 PolarHBondContact O-OG 2.89Å; P194-S198 VanDerWaalsContact O-OG 3.08Å; S198-Y202 PolarHBondContact O-N 3.33Å; S198-Y202 VanDerWaalsContact O-N 3.09Å
199A94.2Very high90.2Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-72.3-38175.900000113.1F56 C58 F59 S195 F196 L197 L201 W203F56-A199 WeakPolarHBondContact O-CA 3.27Å; C58-A199 WeakPolarHBondContact SG-CB 3.43Å; F59-A199 HydrophobicContact CD2-CB 3.9Å; F59-A199 HydrophobicContact CE2-CB 3.79Å; S195-A199 WeakPolarHBondContact O-CB 3.36Å; S195-A199 PolarHBondContact O-N 2.93Å; F196-A199 PolarHBondContact O-N 2.94Å; L197-A199 VanDerWaalsContact C-N 3.31Å; L197-A199 PolarHBondContact O-N 3.47Å; A199-L201 VanDerWaalsContact C-N 3.33Å; A199-W203 WeakPolarHBondContact O-CB 3.46Å; A199-W203 PolarHBondContact O-N 3.32Å
200L93.8Very high88.3Confident1 Ų129.6 Ų29.61%0.00514%0.144CC..Hα-helixtrans-62.4-43.2173.6177.959.7000110.8F59 M70 F196 L197 W203 L204 A223 I224 L227 F297F59-L200 HydrophobicContact CE2-CB 4.02Å; M70-L200 HydrophobicContact CE-CD1 4.09Å; F196-L200 PolarHBondContact O-N 2.71Å; L197-L200 PolarHBondContact O-N 3.38Å; L200-W203 HydrophobicContact CD1-CE3 4.2Å; L200-W203 WeakPolarHBondContact O-CB 3.38Å; L200-W203 PolarHBondContact O-N 3.4Å; L200-L204 HydrophobicContact CG-CD1 4.42Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.32Å; L200-A223 HydrophobicContact CD1-CB 4.34Å; L200-I224 HydrophobicContact CD1-CD1 4.24Å; L200-I224 HydrophobicContact CD1-CG1 4.13Å; L200-I224 HydrophobicContact CD2-CG1 3.82Å; L200-L227 HydrophobicContact CD2-CD1 3.6Å; L200-F297 HydrophobicContact CB-CZ 4.41Å; L200-F297 HydrophobicContact CD2-CE1 4.17Å; L200-F297 HydrophobicContact CD2-CZ 4.18Å; L200-F297 HydrophobicContact CG-CE1 4.24Å; L200-F297 HydrophobicContact CG-CZ 4.23Å
201L94.2Very high86Confident0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-64.4-45178.9-177.561.5000112.5L197 A199 W203 L204 W205 L254 L293 A296 F297L197-L201 WeakPolarHBondContact O-CB 3.27Å; L197-L201 PolarHBondContact O-N 3.33Å; A199-L201 VanDerWaalsContact C-N 3.33Å; L201-W203 VanDerWaalsContact C-N 3.33Å; L201-W203 PolarHBondContact O-N 3.07Å; L201-L204 WeakPolarHBondContact O-CB 3.33Å; L201-L204 PolarHBondContact O-N 3.37Å; L201-W205 HydrophobicContact CD1-CZ2 4.32Å; L201-W205 HydrophobicContact CD2-CH2 4.45Å; L201-W205 HydrophobicContact CD2-CZ2 3.76Å; L201-W205 HydrophobicContact CG-CZ2 3.76Å; L201-W205 PolarHBondContact O-N 2.85Å; L201-L254 HydrophobicContact CB-CD2 4.43Å; L201-L254 HydrophobicContact CD2-CD2 3.68Å; L201-L254 HydrophobicContact CG-CD2 4.3Å; L201-L293 HydrophobicContact CD2-CB 4.45Å; L201-L293 HydrophobicContact CD2-CD2 3.59Å; L201-A296 HydrophobicContact CD1-CB 3.84Å; L201-A296 HydrophobicContact CD2-CB 3.53Å; L201-A296 HydrophobicContact CG-CB 4.22Å; L201-F297 HydrophobicContact CB-CE2 3.93Å; L201-F297 HydrophobicContact CB-CZ 3.91Å; L201-F297 HydrophobicContact CD1-CD1 4.28Å; L201-F297 HydrophobicContact CD1-CD2 4.15Å; L201-F297 HydrophobicContact CD1-CE1 4.43Å; L201-F297 HydrophobicContact CD1-CE2 4.3Å; L201-F297 HydrophobicContact CD1-CG 4.14Å; L201-F297 HydrophobicContact CD1-CZ 4.44Å; L201-F297 HydrophobicContact CD2-CD2 4.46Å; L201-F297 HydrophobicContact CD2-CE2 4.43Å; L201-F297 HydrophobicContact CG-CE2 4.45Å
202Y93.7Very high83.8Confident10 Ų1034.4 Ų34.44%0.03918%0.183CC..Hα-helixtrans-62.7-38.8175.2179.6-87.8000112.1F56 H57 S198 L204 W205 E206 T258 R261 A263F56-Y202 HydrophobicContact CB-CG 4.43Å; F56-Y202 HydrophobicContact CD2-CD1 4Å; F56-Y202 AromaticContact CD2-CD2 3.94Å; F56-Y202 HydrophobicContact CD2-CD2 3.94Å; F56-Y202 HydrophobicContact CD2-CE1 4.16Å; F56-Y202 HydrophobicContact CD2-CE2 4.06Å; F56-Y202 AromaticContact CD2-CG 3.92Å; F56-Y202 HydrophobicContact CD2-CG 3.92Å; F56-Y202 HydrophobicContact CE2-CE1 4.48Å; F56-Y202 HydrophobicContact CE2-CE2 4.24Å; F56-Y202 WeakPolarHBondContact O-CB 3.01Å; F56-Y202 WeakPolarHBondContact O-CD1 3.23Å; H57-Y202 HydrophobicContact CB-CE1 4.37Å; S198-Y202 PolarHBondContact O-N 3.33Å; S198-Y202 VanDerWaalsContact O-N 3.09Å; Y202-L204 PolarHBondContact O-N 3.32Å; Y202-W205 HydrophobicContact CD2-CE3 4.16Å; Y202-W205 WeakPolarHBondContact O-CB 3.41Å; Y202-W205 PolarHBondContact O-N 3.32Å; Y202-E206 PolarHBondContact O-N 3.09Å; Y202-T258 HydrophobicContact CD2-CG2 3.62Å; Y202-T258 HydrophobicContact CE2-CG2 3.92Å; Y202-R261 HydrophobicContact CE2-CB 3.99Å; Y202-R261 HydrophobicContact CE2-CG 4.31Å; Y202-A263 HydrophobicContact CE2-CB 3.93Å
203W90.7Very high81.8Confident18 Ų1837.3 Ų37.37%0.06822%0.215CC..Hα-helixtrans-61.2-41.9173.817987.8000112.2F59 M70 A199 L200 L201 W205 E206 H207 L214 F216 T221F59-W203 HydrophobicContact CB-CB 4.28Å; F59-W203 HydrophobicContact CB-CG 4.17Å; F59-W203 HydrophobicContact CD2-CB 4.46Å; M70-W203 HydrophobicContact CE-CD2 4.45Å; M70-W203 HydrophobicContact CE-CE3 4.4Å; M70-W203 HydrophobicContact CE-CZ3 4.46Å; M70-W203 HydrophobicContact SD-CD2 4.44Å; M70-W203 HydrophobicContact SD-CZ2 4.05Å; A199-W203 WeakPolarHBondContact O-CB 3.46Å; A199-W203 PolarHBondContact O-N 3.32Å; L200-W203 HydrophobicContact CD1-CE3 4.2Å; L200-W203 WeakPolarHBondContact O-CB 3.38Å; L200-W203 PolarHBondContact O-N 3.4Å; L201-W203 VanDerWaalsContact C-N 3.33Å; L201-W203 PolarHBondContact O-N 3.07Å; W203-W205 VanDerWaalsContact C-N 3.31Å; W203-W205 PolarHBondContact O-N 3.36Å; W203-E206 PolarHBondContact O-N 3.37Å; W203-H207 AromaticContact CD1-CD2 3.5Å; W203-H207 AromaticContact CD1-NE2 3.75Å; W203-H207 AromaticContact CE2-CD2 3.56Å; W203-H207 AromaticContact CG-CD2 3.99Å; W203-H207 AromaticContact NE1-CD2 3.22Å; W203-H207 PolarHBondContact NE1-CD2 3.42Å; W203-H207 AromaticContact NE1-NE2 3.37Å; W203-H207 PolarHBondContact NE1-NE2 3.43Å; W203-H207 PolarHBondContact O-CD2 3.17Å; W203-H207 PolarHBondContact O-N 2.93Å; W203-H207 VanDerWaalsContact O-N 3.08Å; W203-L214 HydrophobicContact CH2-CD1 4.42Å; W203-L214 HydrophobicContact CH2-CD2 4.3Å; W203-F216 HydrophobicContact CZ3-CE1 4.29Å; W203-T221 HydrophobicContact CH2-CG2 3.77Å; W203-T221 HydrophobicContact CZ3-CG2 4.32Å
204L89.4Confident80.2Confident3 Ų339.5 Ų39.52%0.01623%0.227CC..Hα-helixtrans-62.6-35173.4-67.1169000112.4L200 L201 Y202 G208 F216 F297 L304 L310L200-L204 HydrophobicContact CG-CD1 4.42Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.32Å; L201-L204 WeakPolarHBondContact O-CB 3.33Å; L201-L204 PolarHBondContact O-N 3.37Å; Y202-L204 PolarHBondContact O-N 3.32Å; L204-G208 WeakPolarHBondContact O-CA 3.34Å; L204-G208 PolarHBondContact O-N 2.78Å; L204-F216 HydrophobicContact CD2-CE1 3.96Å; L204-F216 HydrophobicContact CD2-CZ 4Å; L204-F297 HydrophobicContact CD1-CD1 4Å; L204-F297 HydrophobicContact CD1-CE1 3.64Å; L204-L304 HydrophobicContact CD2-CD1 3.68Å; L204-L310 HydrophobicContact CD1-CD2 4.44Å
205W90.3Very high78.6Confident15 Ų1543 Ų436%0.05724%0.244CC..Hα-helixtrans-71.1-36175.1-61.1-12.6000113.2L201 Y202 W203 L254 I255 A263 C264 Y267 A296L201-W205 HydrophobicContact CD1-CZ2 4.32Å; L201-W205 HydrophobicContact CD2-CH2 4.45Å; L201-W205 HydrophobicContact CD2-CZ2 3.76Å; L201-W205 HydrophobicContact CG-CZ2 3.76Å; L201-W205 PolarHBondContact O-N 2.85Å; Y202-W205 HydrophobicContact CD2-CE3 4.16Å; Y202-W205 WeakPolarHBondContact O-CB 3.41Å; Y202-W205 PolarHBondContact O-N 3.32Å; W203-W205 VanDerWaalsContact C-N 3.31Å; W203-W205 PolarHBondContact O-N 3.36Å; W205-L254 HydrophobicContact CH2-CD2 3.84Å; W205-L254 HydrophobicContact CH2-CG 4.2Å; W205-L254 HydrophobicContact CZ2-CD2 4.4Å; W205-L254 HydrophobicContact CZ3-CD2 4.36Å; W205-L254 HydrophobicContact CZ3-CG 4.43Å; W205-I255 HydrophobicContact CH2-CD1 3.76Å; W205-I255 HydrophobicContact CZ3-CD1 4.34Å; W205-A263 HydrophobicContact CB-CB 4.26Å; W205-C264 HydrophobicContact CE3-CB 4.48Å; W205-C264 HydrophobicContact CZ3-CB 4.24Å; W205-Y267 AromaticContact CD1-CD2 3.98Å; W205-Y267 HydrophobicContact CD2-CD1 4.16Å; W205-Y267 HydrophobicContact CD2-CD2 4.29Å; W205-Y267 AromaticContact CD2-CG 3.92Å; W205-Y267 HydrophobicContact CD2-CG 3.92Å; W205-Y267 AromaticContact CE2-CD1 3.83Å; W205-Y267 AromaticContact CE2-CD2 3.73Å; W205-Y267 AromaticContact CE2-CE2 3.9Å; W205-Y267 AromaticContact CE2-CG 3.69Å; W205-Y267 HydrophobicContact CE3-CD1 4.28Å; W205-Y267 HydrophobicContact CE3-CG 4.41Å; W205-Y267 HydrophobicContact CG-CD2 4.43Å; W205-Y267 HydrophobicContact CG-CG 4.28Å; W205-Y267 AromaticContact CH2-CD1 3.84Å; W205-Y267 HydrophobicContact CH2-CD1 3.84Å; W205-Y267 AromaticContact CH2-CE1 3.73Å; W205-Y267 HydrophobicContact CH2-CE1 3.73Å; W205-Y267 AromaticContact CZ2-CD1 3.67Å; W205-Y267 HydrophobicContact CZ2-CD1 3.67Å; W205-Y267 HydrophobicContact CZ2-CD2 4.15Å; W205-Y267 AromaticContact CZ2-CE1 3.46Å; W205-Y267 HydrophobicContact CZ2-CE1 3.46Å; W205-Y267 VanDerWaalsContact CZ2-CE1 3.46Å; W205-Y267 AromaticContact CZ2-CE2 3.95Å; W205-Y267 HydrophobicContact CZ2-CE2 3.95Å; W205-Y267 HydrophobicContact CZ2-CG 4.02Å; W205-Y267 AromaticContact CZ2-CZ 3.59Å; W205-Y267 HydrophobicContact CZ3-CD1 4.13Å; W205-Y267 HydrophobicContact CZ3-CE1 4.47Å; W205-Y267 AromaticContact NE1-CD2 3.51Å; W205-Y267 AromaticContact NE1-CE2 3.71Å; W205-Y267 AromaticContact NE1-CG 3.91Å; W205-A296 HydrophobicContact CZ2-CB 4.01Å
206E84.7Confident77.4Confident75 Ų7543.7 Ų43.735%0.3524%0.244SC..Hα-helixtrans-71.4-46.9-179.2-173.6154-133.500111.8C60 Y202 W203 A263C60-E206 VanDerWaalsContact CB-OE2 3.27Å; C60-E206 WeakPolarHBondContact CB-OE2 3.47Å; C60-E206 PolarHBondContact SG-OE2 2.81Å; Y202-E206 PolarHBondContact O-N 3.09Å; W203-E206 PolarHBondContact O-N 3.37Å; E206-A263 HydrophobicContact CB-CB 4.21Å
207H78.8Confident76.1Confident60 Ų6046.2 Ų46.228%0.27826%0.258SS..Hα-helixtrans-86.8-12.7-179.4-68.9-74.8000114.7W203 R209 D210 L214W203-H207 AromaticContact CD1-CD2 3.5Å; W203-H207 AromaticContact CD1-NE2 3.75Å; W203-H207 AromaticContact CE2-CD2 3.56Å; W203-H207 AromaticContact CG-CD2 3.99Å; W203-H207 AromaticContact NE1-CD2 3.22Å; W203-H207 PolarHBondContact NE1-CD2 3.42Å; W203-H207 AromaticContact NE1-NE2 3.37Å; W203-H207 PolarHBondContact NE1-NE2 3.43Å; W203-H207 PolarHBondContact O-CD2 3.17Å; W203-H207 PolarHBondContact O-N 2.93Å; W203-H207 VanDerWaalsContact O-N 3.08Å; H207-R209 PolarHBondContact O-N 2.96Å; H207-D210 PolarHBondContact O-N 2.72Å; H207-L214 HydrophobicContact CB-CD1 3.96Å; H207-L214 HydrophobicContact CB-CD2 4.2Å
208G67.6Low74.6Confident12 Ų1252.7 Ų52.712%0.12429%0.288CS..THydrogen-bonded Turntrans-69.832.1177.900000115.9L204 K303L204-G208 WeakPolarHBondContact O-CA 3.34Å; L204-G208 PolarHBondContact O-N 2.78Å; G208-K303 VanDerWaalsContact O-CE 3.28Å; G208-K303 WeakPolarHBondContact O-CE 3.5Å
209R62.3Low73.2Confident106 Ų10658 Ų5840%0.432%0.315SS..THydrogen-bonded Turntrans-113.3-33.1172-56.1176.4-163.2-99.9-6.5112.4H207 S211 D266H207-R209 PolarHBondContact O-N 2.96Å; R209-S211 PolarHBondContact O-N 2.82Å; R209-D266 IonicContact CZ-OD2 2.78Å; R209-D266 IonicContact NH1-OD2 2.67Å; R209-D266 PolarHBondContact NH1-OD2 3.12Å; R209-D266 IonicContact NH2-OD2 3.92Å; R209-D266 PolarHBondContact NH2-OD2 2.93Å
210D54.9Low72.2Confident106 Ų10662 Ų6257%0.56734%0.337SS*.  trans-73.8121.2-168.1-61.2-35.1000109H207 D212H207-D210 PolarHBondContact O-N 2.72Å; D210-D212 VanDerWaalsContact C-N 3.27Å; D210-D212 PolarHBondContact O-N 2.84Å
211S45Very low71.8Confident103 Ų10362.1 Ų62.172%0.7234%0.337SS*.SBendtrans-73.7-19-17048.50000113.9R209R209-S211 PolarHBondContact O-N 2.82Å
212D47.6Very low71.5Confident145 Ų14562.5 Ų62.578%0.77534%0.34SS*.SBendtrans-85.7112174-64.3-47.8000108.8D210 L214D210-D212 VanDerWaalsContact C-N 3.27Å; D210-D212 PolarHBondContact O-N 2.84Å; D212-L214 PolarHBondContact O-N 3.27Å
213G54.2Low71.4Confident68 Ų6862 Ų6270%0.70134%0.338SS*.  trans-60.7126.9-157.100000115.4N215G213-N215 PolarHBondContact O-N 3.44Å
214L61.7Low71.4Confident48 Ų4861.4 Ų61.425%0.25134%0.336SS..  trans-48.6123.9167.9-73.2170.8000110.9W203 H207 D212 F216 L304W203-L214 HydrophobicContact CH2-CD1 4.42Å; W203-L214 HydrophobicContact CH2-CD2 4.3Å; H207-L214 HydrophobicContact CB-CD1 3.96Å; H207-L214 HydrophobicContact CB-CD2 4.2Å; D212-L214 PolarHBondContact O-N 3.27Å; L214-F216 HydrophobicContact CB-CD2 4.33Å; L214-F216 HydrophobicContact CB-CE2 3.65Å; L214-F216 HydrophobicContact CB-CZ 3.97Å; L214-F216 HydrophobicContact CD1-CZ 4.24Å; L214-F216 WeakPolarHBondContact O-CD2 3.45Å; L214-F216 WeakPolarHBondContact O-CE2 3.36Å; L214-L304 HydrophobicContact CD1-CD2 4.02Å
215N62.9Low71.3Confident102 Ų10262.5 Ų62.555%0.54534%0.344SS..  trans-93.5105.6-174.7-166.724.2000110G213 N217 D220G213-N215 PolarHBondContact O-N 3.44Å; N215-N217 VanDerWaalsContact C-N 3.27Å; N215-N217 PolarHBondContact ND2-ND2 3.17Å; N215-N217 VanDerWaalsContact ND2-ND2 3.12Å; N215-N217 PolarHBondContact O-N 3.03Å; N215-D220 PolarHBondContact ND2-OD2 2.81Å; N215-D220 VanDerWaalsContact O-CB 3.26Å; N215-D220 WeakPolarHBondContact O-CB 3.39Å
216F70.6Confident71.4Confident34 Ų3462.1 Ų62.115%0.14934%0.343CS..  trans-86.660.3-170.6-71.5-87.5000113.5W203 L204 L214 T221 I224 L304 P307 S309W203-F216 HydrophobicContact CZ3-CE1 4.29Å; L204-F216 HydrophobicContact CD2-CE1 3.96Å; L204-F216 HydrophobicContact CD2-CZ 4Å; L214-F216 HydrophobicContact CB-CD2 4.33Å; L214-F216 HydrophobicContact CB-CE2 3.65Å; L214-F216 HydrophobicContact CB-CZ 3.97Å; L214-F216 HydrophobicContact CD1-CZ 4.24Å; L214-F216 WeakPolarHBondContact O-CD2 3.45Å; L214-F216 WeakPolarHBondContact O-CE2 3.36Å; F216-T221 WeakPolarHBondContact CA-OG1 3.37Å; F216-T221 HydrophobicContact CD1-CG2 3.77Å; F216-T221 HydrophobicContact CE1-CG2 4.19Å; F216-T221 HydrophobicContact CG-CG2 4.42Å; F216-I224 HydrophobicContact CD1-CD1 3.56Å; F216-I224 HydrophobicContact CE1-CD1 3.68Å; F216-L304 HydrophobicContact CZ-CD1 4.08Å; F216-P307 HydrophobicContact CD2-CB 3.45Å; F216-P307 VanDerWaalsContact CD2-CB 3.45Å; F216-P307 HydrophobicContact CD2-CG 4.22Å; F216-P307 HydrophobicContact CE2-CB 3.57Å; F216-P307 HydrophobicContact CE2-CG 3.88Å; F216-P307 HydrophobicContact CG-CB 4.17Å; F216-P307 HydrophobicContact CZ-CB 4.38Å; F216-P307 HydrophobicContact CZ-CG 4.28Å; F216-S309 VanDerWaalsContact CB-OG 3.23Å; F216-S309 WeakPolarHBondContact CB-OG 3.32Å
217N69.2Low71.9Confident52 Ų5258.6 Ų58.628%0.27833%0.327SS..SBendtrans-99.4179.2173.374.147.8000111.6N215 D219 D220 T221N215-N217 VanDerWaalsContact C-N 3.27Å; N215-N217 PolarHBondContact ND2-ND2 3.17Å; N215-N217 VanDerWaalsContact ND2-ND2 3.12Å; N215-N217 PolarHBondContact O-N 3.03Å; N217-D219 PolarHBondContact OD1-N 2.93Å; N217-D220 PolarHBondContact ND2-OD2 2.86Å; N217-D220 WeakPolarHBondContact OD1-CB 3.45Å; N217-D220 PolarHBondContact OD1-N 3.03Å; N217-T221 WeakPolarHBondContact O-CA 3.49Å; N217-T221 PolarHBondContact O-N 3.28Å; N217-T221 PolarHBondContact O-OG1 3.13Å
218E63.9Low72.5Confident136 Ų13658.2 Ų58.264%0.63633%0.325SS*.THydrogen-bonded Turntrans-75.5-26.2-174.9-174.4158.4-143.700114.4P222 S225E218-P222 WeakPolarHBondContact O-CA 3.47Å; E218-P222 WeakPolarHBondContact O-CB 3.15Å; E218-S225 WeakPolarHBondContact CA-OG 3.27Å; E218-S225 WeakPolarHBondContact CB-OG 3.36Å; E218-S225 WeakPolarHBondContact CG-OG 3.43Å
219D68.2Low73.6Confident123 Ų12358.4 Ų58.466%0.65833%0.325SS*.THydrogen-bonded Turntrans-80.2-40.8177.5-60.7-61.9000112.1N68 N217N68-D219 PolarHBondContact ND2-O 3.05Å; N68-D219 VanDerWaalsContact ND2-O 3.08Å; N217-D219 PolarHBondContact OD1-N 2.93Å
220D73.2Confident75Confident84 Ų8453.4 Ų53.445%0.44931%0.307SS..THydrogen-bonded Turntrans-82.7-34.9-178.5-69.8-35000112.3N215 N217 P222N215-D220 PolarHBondContact ND2-OD2 2.81Å; N215-D220 VanDerWaalsContact O-CB 3.26Å; N215-D220 WeakPolarHBondContact O-CB 3.39Å; N217-D220 PolarHBondContact ND2-OD2 2.86Å; N217-D220 WeakPolarHBondContact OD1-CB 3.45Å; N217-D220 PolarHBondContact OD1-N 3.03Å; D220-P222 VanDerWaalsContact C-CD 3.47Å
221T84.4Confident76.8Confident4 Ų449 Ų493%0.02528%0.283CS..  trans-131.851.8-175.563.20000114.7W203 F216 N217 A223 I224W203-T221 HydrophobicContact CH2-CG2 3.77Å; W203-T221 HydrophobicContact CZ3-CG2 4.32Å; F216-T221 WeakPolarHBondContact CA-OG1 3.37Å; F216-T221 HydrophobicContact CD1-CG2 3.77Å; F216-T221 HydrophobicContact CE1-CG2 4.19Å; F216-T221 HydrophobicContact CG-CG2 4.42Å; N217-T221 WeakPolarHBondContact O-CA 3.49Å; N217-T221 PolarHBondContact O-N 3.28Å; N217-T221 PolarHBondContact O-OG1 3.13Å; T221-A223 PolarHBondContact O-N 3.33Å; T221-I224 PolarHBondContact O-N 2.87Å
222P88.1Confident78.8Confident9 Ų946.2 Ų46.26%0.05827%0.265CS..Hα-helixtrans-57.4-26.4-172.121.5-33.6000114.6M70 L71 T74 E218 D220 I224 S225 I226M70-P222 HydrophobicContact CG-CG 4.27Å; L71-P222 HydrophobicContact CB-CG 4.05Å; L71-P222 HydrophobicContact CD1-CB 4.09Å; L71-P222 HydrophobicContact CD1-CG 4.08Å; T74-P222 HydrophobicContact CG2-CB 4.19Å; E218-P222 WeakPolarHBondContact O-CA 3.47Å; E218-P222 WeakPolarHBondContact O-CB 3.15Å; D220-P222 VanDerWaalsContact C-CD 3.47Å; P222-I224 PolarHBondContact O-N 3.32Å; P222-S225 PolarHBondContact O-N 2.95Å; P222-I226 PolarHBondContact O-N 2.99Å
223A91.3Very high80.8Confident0 Ų039.4 Ų39.40%023%0.229CC..Hα-helixtrans-63.5-27.4175.900000113.4F59 M70 F196 L200 T221 I226 L227F59-A223 HydrophobicContact CE1-CB 4.4Å; F59-A223 HydrophobicContact CE2-CB 4.15Å; F59-A223 HydrophobicContact CZ-CB 3.9Å; M70-A223 HydrophobicContact CE-CB 3.51Å; F196-A223 HydrophobicContact CE1-CB 3.9Å; F196-A223 HydrophobicContact CZ-CB 3.71Å; L200-A223 HydrophobicContact CD1-CB 4.34Å; T221-A223 PolarHBondContact O-N 3.33Å; A223-I226 WeakPolarHBondContact O-CG2 3.47Å; A223-L227 WeakPolarHBondContact O-CD1 3.37Å; A223-L227 VanDerWaalsContact O-CG 3.28Å; A223-L227 WeakPolarHBondContact O-CG 3.46Å; A223-L227 PolarHBondContact O-N 2.66Å
224I90.5Very high82.4Confident4 Ų436.2 Ų36.22%0.02120%0.196CC..Hα-helixtrans-81.7-37.4174.3-72164.7000110.5L200 F216 T221 P222 I226 L227 H228L200-I224 HydrophobicContact CD1-CD1 4.24Å; L200-I224 HydrophobicContact CD1-CG1 4.13Å; L200-I224 HydrophobicContact CD2-CG1 3.82Å; F216-I224 HydrophobicContact CD1-CD1 3.56Å; F216-I224 HydrophobicContact CE1-CD1 3.68Å; T221-I224 PolarHBondContact O-N 2.87Å; P222-I224 PolarHBondContact O-N 3.32Å; I224-I226 PolarHBondContact O-N 3.47Å; I224-L227 PolarHBondContact O-N 3.42Å; I224-H228 PolarHBondContact O-CD2 3.27Å; I224-H228 PolarHBondContact O-N 2.78Å
225S88.9Confident83.6Confident26 Ų2636.3 Ų36.318%0.18219%0.193CC..Hα-helixtrans-62.1-40.5174.2-59.30000112.8E218 P222 L227 H228 A229E218-S225 WeakPolarHBondContact CA-OG 3.27Å; E218-S225 WeakPolarHBondContact CB-OG 3.36Å; E218-S225 WeakPolarHBondContact CG-OG 3.43Å; P222-S225 PolarHBondContact O-N 2.95Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-L227 PolarHBondContact O-N 3.46Å; S225-H228 WeakPolarHBondContact O-CB 3.32Å; S225-H228 PolarHBondContact O-N 3.33Å; S225-A229 WeakPolarHBondContact O-CB 3.4Å; S225-A229 PolarHBondContact O-N 2.58Å
226I92.1Very high85Confident7 Ų731.8 Ų31.84%0.03617%0.169CC..Hα-helixtrans-68.8-31.9176.4-161.6157.7000112.4T74 F77 E78 F87 F196 P222 A223 I224 A229 L230T74-I226 HydrophobicContact CG2-CB 4.13Å; T74-I226 HydrophobicContact CG2-CD1 4.22Å; T74-I226 HydrophobicContact CG2-CG2 3.75Å; F77-I226 HydrophobicContact CD1-CD1 3.99Å; F77-I226 HydrophobicContact CE1-CD1 4.38Å; E78-I226 HydrophobicContact CB-CD1 3.61Å; E78-I226 HydrophobicContact CG-CD1 3.89Å; F87-I226 HydrophobicContact CE1-CD1 4.25Å; F87-I226 HydrophobicContact CE1-CG1 3.85Å; F87-I226 HydrophobicContact CE2-CD1 4.48Å; F87-I226 HydrophobicContact CE2-CG1 4.29Å; F87-I226 HydrophobicContact CZ-CD1 4.12Å; F87-I226 HydrophobicContact CZ-CG1 3.57Å; F196-I226 HydrophobicContact CE1-CG2 3.97Å; F196-I226 HydrophobicContact CZ-CG2 3.66Å; P222-I226 PolarHBondContact O-N 2.99Å; A223-I226 WeakPolarHBondContact O-CG2 3.47Å; I224-I226 PolarHBondContact O-N 3.47Å; I226-A229 PolarHBondContact O-N 3.13Å; I226-L230 WeakPolarHBondContact O-CB 3.28Å; I226-L230 WeakPolarHBondContact O-CG 3.37Å; I226-L230 PolarHBondContact O-N 3.05Å
227L94.1Very high86Confident1 Ų130.2 Ų30.21%0.00516%0.162CC..Hα-helixtrans-68.2-39.1173.3-75.8170.4000112L193 F196 L197 L200 A223 I224 S225 L230 H231 I241 F313L193-L227 HydrophobicContact CD1-CD2 4.13Å; F196-L227 HydrophobicContact CD1-CD2 4.48Å; F196-L227 HydrophobicContact CE1-CD1 4.28Å; F196-L227 HydrophobicContact CE1-CG 4.14Å; L197-L227 HydrophobicContact CD2-CD1 3.71Å; L197-L227 HydrophobicContact CD2-CD2 4.05Å; L200-L227 HydrophobicContact CD2-CD1 3.6Å; A223-L227 WeakPolarHBondContact O-CD1 3.37Å; A223-L227 VanDerWaalsContact O-CG 3.28Å; A223-L227 WeakPolarHBondContact O-CG 3.46Å; A223-L227 PolarHBondContact O-N 2.66Å; I224-L227 PolarHBondContact O-N 3.42Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-L227 PolarHBondContact O-N 3.46Å; L227-L230 PolarHBondContact O-N 3.17Å; L227-H231 WeakPolarHBondContact O-CB 3.28Å; L227-H231 PolarHBondContact O-N 3.37Å; L227-I241 HydrophobicContact CD2-CD1 4.31Å; L227-F313 HydrophobicContact CB-CD2 4.23Å; L227-F313 HydrophobicContact CB-CE2 3.67Å; L227-F313 HydrophobicContact CB-CZ 3.95Å; L227-F313 HydrophobicContact CD1-CE1 4.49Å; L227-F313 HydrophobicContact CD1-CZ 4.16Å; L227-F313 HydrophobicContact CD2-CZ 4.22Å; L227-F313 HydrophobicContact CG-CZ 4.34Å
228H90.9Very high87.2Confident53 Ų5327.8 Ų27.825%0.24515%0.15CC..Hα-helixtrans-61.5-44.4167.8-89.5-77.2000112.3I224 S225 L230 H231 A232 S309 T312 F313I224-H228 PolarHBondContact O-CD2 3.27Å; I224-H228 PolarHBondContact O-N 2.78Å; S225-H228 WeakPolarHBondContact O-CB 3.32Å; S225-H228 PolarHBondContact O-N 3.33Å; H228-L230 VanDerWaalsContact C-N 3.32Å; H228-L230 PolarHBondContact O-N 3.2Å; H228-H231 PolarHBondContact O-N 3.38Å; H228-A232 WeakPolarHBondContact O-CB 3.08Å; H228-A232 PolarHBondContact O-N 3.01Å; H228-S309 PolarHBondContact NE2-O 3.38Å; H228-T312 PolarHBondContact CE1-OG1 3.34Å; H228-F313 PolarHBondContact CE1-N 3.05Å
229A90.7Very high88.6Confident16 Ų1622.7 Ų22.713%0.13213%0.125CC..Hα-helixtrans-65.8-34.6179.500000112.7F87 R91 S225 I226 S233F87-A229 HydrophobicContact CE1-CB 3.54Å; F87-A229 HydrophobicContact CZ-CB 3.82Å; R91-A229 PolarHBondContact NE-O 3.47Å; R91-A229 PolarHBondContact NH2-O 3.35Å; S225-A229 WeakPolarHBondContact O-CB 3.4Å; S225-A229 PolarHBondContact O-N 2.58Å; I226-A229 PolarHBondContact O-N 3.13Å; A229-S233 PolarHBondContact O-N 2.87Å; A229-S233 PolarHBondContact O-OG 2.92Å
230L92.9Very high89.9Confident1 Ų118.2 Ų18.21%0.00510%0.101CC..Hα-helixtrans-69.1-48.9170.3-77.9171.9000111.7F77 I81 F87 L189 I226 L227 H228 A232 S233 T237 I241F77-L230 HydrophobicContact CE1-CD1 3.99Å; F77-L230 HydrophobicContact CZ-CD1 4.27Å; I81-L230 HydrophobicContact CD1-CD2 4.15Å; F87-L230 HydrophobicContact CE2-CD2 4.01Å; F87-L230 HydrophobicContact CE2-CG 4.33Å; F87-L230 HydrophobicContact CZ-CD2 4.32Å; F87-L230 HydrophobicContact CZ-CG 4.18Å; L189-L230 HydrophobicContact CD1-CD1 3.88Å; L189-L230 HydrophobicContact CD1-CD2 4.29Å; L189-L230 HydrophobicContact CD2-CD2 4.01Å; I226-L230 WeakPolarHBondContact O-CB 3.28Å; I226-L230 WeakPolarHBondContact O-CG 3.37Å; I226-L230 PolarHBondContact O-N 3.05Å; L227-L230 PolarHBondContact O-N 3.17Å; H228-L230 VanDerWaalsContact C-N 3.32Å; H228-L230 PolarHBondContact O-N 3.2Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 3.46Å; L230-S233 WeakPolarHBondContact O-CA 3.38Å; L230-S233 WeakPolarHBondContact O-CB 3.4Å; L230-S233 PolarHBondContact O-N 3.42Å; L230-S233 PolarHBondContact O-OG 3.04Å; L230-T237 HydrophobicContact CD2-CG2 4.15Å; L230-T237 WeakPolarHBondContact O-CB 3.37Å; L230-T237 PolarHBondContact O-OG1 3.37Å; L230-I241 HydrophobicContact CB-CD1 4.32Å
231H91.9Very high91Very high14 Ų1414.2 Ų14.27%0.0658%0.08CC..Hα-helixtrans-51.4-48.8174.5167-76.7000111.5S104 L227 H228 S233 G234 Q238 G316S104-H231 PolarHBondContact O-CE1 3.21Å; S104-H231 VanDerWaalsContact O-CE1 3.28Å; L227-H231 WeakPolarHBondContact O-CB 3.28Å; L227-H231 PolarHBondContact O-N 3.37Å; H228-H231 PolarHBondContact O-N 3.38Å; H231-S233 PolarHBondContact O-N 2.7Å; H231-G234 PolarHBondContact O-N 2.74Å; H231-G234 VanDerWaalsContact O-N 3.17Å; H231-Q238 PolarHBondContact O-NE2 2.95Å; H231-G316 VanDerWaalsContact NE2-CA 3.33Å; H231-G316 WeakPolarHBondContact NE2-CA 3.37Å; H231-G316 PolarHBondContact NE2-O 2.93Å
232A88.2Confident91.6Very high43 Ų4314 Ų1436%0.3558%0.078SC..THydrogen-bonded Turntrans-68.5-5.1179.100000114.6K95 H228 L230K95-A232 PolarHBondContact NZ-O 3.22Å; H228-A232 WeakPolarHBondContact O-CB 3.08Å; H228-A232 PolarHBondContact O-N 3.01Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 3.46Å
233S89Confident92Very high2 Ų216.7 Ų16.71%0.0149%0.092CC..THydrogen-bonded Turntrans-82.1-11.5173.9-530000113.5R91 L94 K95 A229 L230 H231R91-S233 WeakPolarHBondContact CB-OG 3.34Å; R91-S233 WeakPolarHBondContact CG-OG 3.45Å; L94-S233 CarbonylContact C-O 3.48Å; K95-S233 VanDerWaalsContact CA-O 3.23Å; K95-S233 WeakPolarHBondContact CA-O 3.32Å; K95-S233 PolarHBondContact N-O 3.26Å; A229-S233 PolarHBondContact O-N 2.87Å; A229-S233 PolarHBondContact O-OG 2.92Å; L230-S233 WeakPolarHBondContact O-CA 3.38Å; L230-S233 WeakPolarHBondContact O-CB 3.4Å; L230-S233 PolarHBondContact O-N 3.42Å; L230-S233 PolarHBondContact O-OG 3.04Å; H231-S233 PolarHBondContact O-N 2.7Å
234G87.1Confident92.3Very high1 Ų117.6 Ų17.61%0.0110%0.098CC..  trans123.3-175.8166.700000115.8D98 H231 V236 T237 Q238D98-G234 WeakPolarHBondContact OD1-CA 3.45Å; D98-G234 WeakPolarHBondContact OD2-CA 3.34Å; H231-G234 PolarHBondContact O-N 2.74Å; H231-G234 VanDerWaalsContact O-N 3.17Å; G234-V236 VanDerWaalsContact C-N 3.26Å; G234-V236 PolarHBondContact O-N 3.01Å; G234-V236 VanDerWaalsContact O-N 3.14Å; G234-T237 PolarHBondContact O-N 3.01Å; G234-T237 PolarHBondContact O-OG1 2.93Å; G234-Q238 VanDerWaalsContact C-NE2 3.34Å; G234-Q238 WeakPolarHBondContact O-CG 3.36Å; G234-Q238 PolarHBondContact O-N 2.87Å; G234-Q238 PolarHBondContact O-NE2 3.02Å
235W88.1Confident92.7Very high50 Ų5017.4 Ų17.419%0.18910%0.097CC..Hα-helixtrans-53.2-38-172.6-176.386.2000114.4D98 R178 T237 Q238 K239D98-W235 PolarHBondContact OD1-N 3.13Å; R178-W235 VanDerWaalsContact CZ-CE3 3.41Å; R178-W235 VanDerWaalsContact NH1-CZ2 3.27Å; R178-W235 VanDerWaalsContact NH1-CZ3 3.35Å; R178-W235 VanDerWaalsContact NH2-CD2 3.29Å; R178-W235 VanDerWaalsContact NH2-CE2 3.31Å; W235-T237 PolarHBondContact O-N 3.5Å; W235-Q238 PolarHBondContact O-N 3.24Å; W235-K239 HydrophobicContact CD2-CB 4.32Å; W235-K239 HydrophobicContact CE3-CB 4.34Å; W235-K239 HydrophobicContact CH2-CB 3.85Å; W235-K239 HydrophobicContact CH2-CD 4.31Å; W235-K239 HydrophobicContact CH2-CG 3.61Å; W235-K239 HydrophobicContact CZ2-CB 3.82Å; W235-K239 HydrophobicContact CZ2-CD 4.01Å; W235-K239 HydrophobicContact CZ2-CG 3.74Å; W235-K239 HydrophobicContact CZ3-CB 4.11Å; W235-K239 HydrophobicContact CZ3-CG 4.26Å; W235-K239 WeakPolarHBondContact O-CB 3.49Å; W235-K239 PolarHBondContact O-N 3.25Å
236V90.9Very high93.1Very high7 Ų717.8 Ų17.84%0.04210%0.096CC..Hα-helixtrans-57.7-48.2-178.5171.60000112.2L94 P181 V186 G234 M240L94-V236 HydrophobicContact CD2-CG1 4.46Å; P181-V236 HydrophobicContact CG-CG1 3.84Å; P181-V236 HydrophobicContact CG-CG2 4.1Å; V186-V236 HydrophobicContact CG1-CG1 4.18Å; G234-V236 VanDerWaalsContact C-N 3.26Å; G234-V236 PolarHBondContact O-N 3.01Å; G234-V236 VanDerWaalsContact O-N 3.14Å; V236-M240 HydrophobicContact CG1-CE 3.77Å; V236-M240 HydrophobicContact CG1-SD 4.4Å; V236-M240 WeakPolarHBondContact O-CG 3.41Å; V236-M240 PolarHBondContact O-N 2.97Å; V236-M240 VanDerWaalsContact O-N 3.16Å
237T93Very high93.3Very high1 Ų121 Ų211%0.00611%0.113CC..Hα-helixtrans-75.3-36.5-179.843.40000111.6L94 L189 L230 G234 W235 K239 M240 I241L94-T237 HydrophobicContact CD1-CG2 3.78Å; L189-T237 HydrophobicContact CD2-CG2 3.85Å; L230-T237 HydrophobicContact CD2-CG2 4.15Å; L230-T237 WeakPolarHBondContact O-CB 3.37Å; L230-T237 PolarHBondContact O-OG1 3.37Å; G234-T237 PolarHBondContact O-N 3.01Å; G234-T237 PolarHBondContact O-OG1 2.93Å; W235-T237 PolarHBondContact O-N 3.5Å; T237-K239 VanDerWaalsContact C-N 3.32Å; T237-K239 PolarHBondContact O-N 3.44Å; T237-M240 PolarHBondContact O-N 3.34Å; T237-I241 WeakPolarHBondContact O-CB 3.49Å; T237-I241 VanDerWaalsContact O-CG1 3.25Å; T237-I241 WeakPolarHBondContact O-CG1 3.34Å; T237-I241 PolarHBondContact O-N 3.35Å
238Q93.7Very high93.4Very high2 Ų225.2 Ų25.21%0.00913%0.132CC..Hα-helixtrans-57.5-45.9173.1-66159.422.200110.9S104 H231 G234 W235 I241 A242 L317 V320S104-Q238 PolarHBondContact OG-NE2 3.32Å; S104-Q238 PolarHBondContact OG-OE1 2.97Å; H231-Q238 PolarHBondContact O-NE2 2.95Å; G234-Q238 VanDerWaalsContact C-NE2 3.34Å; G234-Q238 WeakPolarHBondContact O-CG 3.36Å; G234-Q238 PolarHBondContact O-N 2.87Å; G234-Q238 PolarHBondContact O-NE2 3.02Å; W235-Q238 PolarHBondContact O-N 3.24Å; Q238-I241 PolarHBondContact O-N 3.12Å; Q238-A242 VanDerWaalsContact O-CB 3.31Å; Q238-A242 WeakPolarHBondContact O-CB 3.43Å; Q238-A242 PolarHBondContact O-N 3.2Å; Q238-L317 HydrophobicContact CB-CD2 4.27Å; Q238-V320 HydrophobicContact CB-CG2 4.18Å
239K93.3Very high93.7Very high28 Ų2825.2 Ų25.212%0.12214%0.141CC..Hα-helixtrans-63.6-45.9176.9-176.956.1170.7166.10112.3W235 T237 I241 A242 D243 V320 E322W235-K239 HydrophobicContact CD2-CB 4.32Å; W235-K239 HydrophobicContact CE3-CB 4.34Å; W235-K239 HydrophobicContact CH2-CB 3.85Å; W235-K239 HydrophobicContact CH2-CD 4.31Å; W235-K239 HydrophobicContact CH2-CG 3.61Å; W235-K239 HydrophobicContact CZ2-CB 3.82Å; W235-K239 HydrophobicContact CZ2-CD 4.01Å; W235-K239 HydrophobicContact CZ2-CG 3.74Å; W235-K239 HydrophobicContact CZ3-CB 4.11Å; W235-K239 HydrophobicContact CZ3-CG 4.26Å; W235-K239 WeakPolarHBondContact O-CB 3.49Å; W235-K239 PolarHBondContact O-N 3.25Å; T237-K239 VanDerWaalsContact C-N 3.32Å; T237-K239 PolarHBondContact O-N 3.44Å; K239-I241 VanDerWaalsContact C-N 3.32Å; K239-I241 PolarHBondContact O-N 3.45Å; K239-A242 WeakPolarHBondContact O-CB 3.41Å; K239-A242 PolarHBondContact O-N 2.93Å; K239-D243 WeakPolarHBondContact CD-OD1 3.32Å; K239-D243 WeakPolarHBondContact CD-OD2 3.16Å; K239-D243 WeakPolarHBondContact CE-OD1 3.33Å; K239-D243 WeakPolarHBondContact CE-OD2 3.33Å; K239-D243 WeakPolarHBondContact CG-OD2 3.13Å; K239-D243 IonicContact NZ-OD1 2.94Å; K239-D243 PolarHBondContact NZ-OD1 3.35Å; K239-D243 IonicContact NZ-OD2 3.57Å; K239-D243 WeakPolarHBondContact O-CB 3.39Å; K239-D243 VanDerWaalsContact O-CG 3.22Å; K239-D243 PolarHBondContact O-N 2.96Å; K239-V320 HydrophobicContact CD-CG1 3.73Å; K239-E322 IonicContact NZ-OE1 2.78Å; K239-E322 PolarHBondContact NZ-OE1 3.31Å; K239-E322 IonicContact NZ-OE2 4Å; K239-E322 PolarHBondContact NZ-OE2 3.31Å
240M95.4Very high94Very high29 Ų2925.2 Ų25.214%0.14314%0.14CC..Hα-helixtrans-62.4-36.8177.1-70.4176.3-171.300113V186 L193 V236 T237 V244V186-M240 HydrophobicContact CB-CE 3.85Å; V186-M240 HydrophobicContact CB-SD 4.3Å; V186-M240 HydrophobicContact CG1-CE 4.08Å; V186-M240 HydrophobicContact CG2-CE 4.07Å; L193-M240 HydrophobicContact CD2-CB 4Å; L193-M240 WeakPolarHBondContact CD2-O 3.3Å; V236-M240 HydrophobicContact CG1-CE 3.77Å; V236-M240 HydrophobicContact CG1-SD 4.4Å; V236-M240 WeakPolarHBondContact O-CG 3.41Å; V236-M240 PolarHBondContact O-N 2.97Å; V236-M240 VanDerWaalsContact O-N 3.16Å; T237-M240 PolarHBondContact O-N 3.34Å; M240-V244 WeakPolarHBondContact O-CB 3.4Å; M240-V244 VanDerWaalsContact O-CG2 3.25Å; M240-V244 WeakPolarHBondContact O-CG2 3.48Å; M240-V244 PolarHBondContact O-N 3.43Å
241I97.2Very high94.2Very high1 Ų126.1 Ų26.11%0.00514%0.143CC..Hα-helixtrans-66.4-49.4173.6-68.8166000110.2L193 L227 L230 T237 Q238 K239 V244 M245 F313 L317L193-I241 HydrophobicContact CD1-CG1 4.24Å; L193-I241 HydrophobicContact CD2-CB 4.47Å; L193-I241 HydrophobicContact CD2-CG1 3.84Å; L227-I241 HydrophobicContact CD2-CD1 4.31Å; L230-I241 HydrophobicContact CB-CD1 4.32Å; T237-I241 WeakPolarHBondContact O-CB 3.49Å; T237-I241 VanDerWaalsContact O-CG1 3.25Å; T237-I241 WeakPolarHBondContact O-CG1 3.34Å; T237-I241 PolarHBondContact O-N 3.35Å; Q238-I241 PolarHBondContact O-N 3.12Å; K239-I241 VanDerWaalsContact C-N 3.32Å; K239-I241 PolarHBondContact O-N 3.45Å; I241-V244 PolarHBondContact O-N 3.42Å; I241-M245 HydrophobicContact CG2-SD 3.99Å; I241-M245 WeakPolarHBondContact O-CG 3.46Å; I241-M245 PolarHBondContact O-N 3.01Å; I241-F313 HydrophobicContact CD1-CE2 4.21Å; I241-F313 HydrophobicContact CD1-CZ 4.47Å; I241-F313 HydrophobicContact CG2-CE1 4.46Å; I241-F313 HydrophobicContact CG2-CE2 4.19Å; I241-F313 HydrophobicContact CG2-CZ 3.58Å; I241-L317 HydrophobicContact CB-CD2 4.04Å; I241-L317 HydrophobicContact CG2-CD1 3.62Å; I241-L317 HydrophobicContact CG2-CD2 3.78Å; I241-L317 HydrophobicContact CG2-CG 4.35Å
242A96.6Very high94.4Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-55.7-52.7178.500000112.6Q238 K239 V244 M245 I246 V320 F323Q238-A242 VanDerWaalsContact O-CB 3.31Å; Q238-A242 WeakPolarHBondContact O-CB 3.43Å; Q238-A242 PolarHBondContact O-N 3.2Å; K239-A242 WeakPolarHBondContact O-CB 3.41Å; K239-A242 PolarHBondContact O-N 2.93Å; A242-V244 VanDerWaalsContact C-N 3.32Å; A242-V244 PolarHBondContact O-N 2.83Å; A242-M245 PolarHBondContact O-N 2.82Å; A242-I246 WeakPolarHBondContact O-CG1 3.38Å; A242-I246 PolarHBondContact O-N 3.39Å; A242-I246 VanDerWaalsContact O-N 3.08Å; A242-V320 HydrophobicContact CB-CB 4.18Å; A242-V320 HydrophobicContact CB-CG1 3.87Å; A242-V320 HydrophobicContact CB-CG2 4.29Å; A242-F323 HydrophobicContact CB-CB 3.78Å; A242-F323 HydrophobicContact CB-CD2 3.85Å; A242-F323 HydrophobicContact CB-CG 4.07Å
243D97Very high94.7Very high64 Ų6433.1 Ų33.134%0.34217%0.167SC..Hα-helixtrans-60-41.5-177.4-67.7-22000111.5K239 M245 I246 D247K239-D243 WeakPolarHBondContact CD-OD1 3.32Å; K239-D243 WeakPolarHBondContact CD-OD2 3.16Å; K239-D243 WeakPolarHBondContact CE-OD1 3.33Å; K239-D243 WeakPolarHBondContact CE-OD2 3.33Å; K239-D243 WeakPolarHBondContact CG-OD2 3.13Å; K239-D243 IonicContact NZ-OD1 2.94Å; K239-D243 PolarHBondContact NZ-OD1 3.35Å; K239-D243 IonicContact NZ-OD2 3.57Å; K239-D243 WeakPolarHBondContact O-CB 3.39Å; K239-D243 VanDerWaalsContact O-CG 3.22Å; K239-D243 PolarHBondContact O-N 2.96Å; D243-M245 VanDerWaalsContact C-N 3.33Å; D243-M245 PolarHBondContact O-N 2.88Å; D243-I246 WeakPolarHBondContact O-CG1 3.41Å; D243-I246 PolarHBondContact O-N 3.18Å; D243-D247 WeakPolarHBondContact O-CB 3.36Å; D243-D247 PolarHBondContact O-N 3.32Å
244V97.7Very high95Very high20 Ų2033.2 Ų33.212%0.12117%0.168CC..Hα-helixtrans-68.9-29.81761710000112.5L193 P194 L197 M240 I241 A242 L293L193-V244 HydrophobicContact CD2-CG2 4.38Å; P194-V244 HydrophobicContact CB-CG1 3.97Å; P194-V244 HydrophobicContact CG-CG1 4Å; P194-V244 HydrophobicContact CG-CG2 3.94Å; L197-V244 HydrophobicContact CD1-CB 4.26Å; L197-V244 HydrophobicContact CD1-CG1 3.73Å; M240-V244 WeakPolarHBondContact O-CB 3.4Å; M240-V244 VanDerWaalsContact O-CG2 3.25Å; M240-V244 WeakPolarHBondContact O-CG2 3.48Å; M240-V244 PolarHBondContact O-N 3.43Å; I241-V244 PolarHBondContact O-N 3.42Å; A242-V244 VanDerWaalsContact C-N 3.32Å; A242-V244 PolarHBondContact O-N 2.83Å; V244-L293 HydrophobicContact CG1-CD1 4.43Å
245M97.8Very high95.4Very high0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-75.7-30.3177.6-74.8-174.670.200113.4L197 I241 A242 D243 L293 L294 F297 F313 L314 L317 F323L197-M245 HydrophobicContact CD1-CG 4.02Å; I241-M245 HydrophobicContact CG2-SD 3.99Å; I241-M245 WeakPolarHBondContact O-CG 3.46Å; I241-M245 PolarHBondContact O-N 3.01Å; A242-M245 PolarHBondContact O-N 2.82Å; D243-M245 VanDerWaalsContact C-N 3.33Å; D243-M245 PolarHBondContact O-N 2.88Å; M245-L293 PolarHBondContact O-N 3.2Å; M245-L294 HydrophobicContact CB-CB 4.4Å; M245-L294 HydrophobicContact CE-CD1 4.1Å; M245-L294 WeakPolarHBondContact O-CB 3.24Å; M245-L294 PolarHBondContact O-N 3.49Å; M245-F297 HydrophobicContact CE-CB 4.01Å; M245-F297 HydrophobicContact CE-CD2 3.73Å; M245-F297 HydrophobicContact CE-CE2 4.45Å; M245-F297 HydrophobicContact CE-CG 3.99Å; M245-F313 HydrophobicContact SD-CE1 4.24Å; M245-L314 HydrophobicContact CE-CD2 3.72Å; M245-L317 HydrophobicContact SD-CD1 3.84Å; M245-F323 HydrophobicContact CB-CE2 4.06Å; M245-F323 HydrophobicContact CE-CE2 4.2Å; M245-F323 HydrophobicContact CE-CZ 4.42Å; M245-F323 HydrophobicContact SD-CE2 4.03Å
246I97.6Very high95.7Very high34 Ų3440.8 Ų40.817%0.17420%0.199CC..Hα-helixtrans-94-12.6178.568-175.9000113.8A242 D243 K248 T292 L294 E322 F323 E326A242-I246 WeakPolarHBondContact O-CG1 3.38Å; A242-I246 PolarHBondContact O-N 3.39Å; A242-I246 VanDerWaalsContact O-N 3.08Å; D243-I246 WeakPolarHBondContact O-CG1 3.41Å; D243-I246 PolarHBondContact O-N 3.18Å; I246-K248 PolarHBondContact O-N 2.96Å; I246-T292 WeakPolarHBondContact O-CG2 3.31Å; I246-L294 HydrophobicContact CG2-CD2 3.89Å; I246-E322 HydrophobicContact CD1-CB 4.45Å; I246-F323 HydrophobicContact CG2-CD2 4.16Å; I246-E326 HydrophobicContact CB-CG 4.39Å; I246-E326 HydrophobicContact CG2-CB 3.86Å; I246-E326 HydrophobicContact CG2-CG 4.08Å
247D96.8Very high95.8Very high74 Ų7443 Ų4340%0.39621%0.208SC..  trans-67.4116175.6-175.20.1000111.9D243 A249 V250D243-D247 WeakPolarHBondContact O-CB 3.36Å; D243-D247 PolarHBondContact O-N 3.32Å; D247-A249 VanDerWaalsContact C-N 3.34Å; D247-A249 PolarHBondContact O-N 3.09Å; D247-A249 WeakPolarHBondContact OD1-CB 3.5Å; D247-A249 PolarHBondContact OD1-N 3.18Å; D247-V250 HydrophobicContact CB-CG2 3.94Å; D247-V250 PolarHBondContact O-N 2.93Å; D247-V250 WeakPolarHBondContact OD2-CG2 3.29Å
248K96.4Very high95.8Very high89 Ų8942.9 Ų42.939%0.38721%0.208SC..Hα-helixtrans-66.1-35.1179.7-56-173.9-178.2-169.40112.2I246 V250 Y251 E252 Q291 T292I246-K248 PolarHBondContact O-N 2.96Å; K248-V250 VanDerWaalsContact C-N 3.26Å; K248-V250 PolarHBondContact O-N 3.05Å; K248-Y251 PolarHBondContact O-N 3.42Å; K248-Y251 VanDerWaalsContact O-N 3.13Å; K248-E252 WeakPolarHBondContact O-CB 3.13Å; K248-E252 WeakPolarHBondContact O-CG 3.24Å; K248-E252 PolarHBondContact O-N 3.02Å; K248-Q291 VanDerWaalsContact CA-O 3.3Å; K248-Q291 WeakPolarHBondContact CA-O 3.3Å; K248-Q291 WeakPolarHBondContact CB-O 3.32Å; K248-Q291 HydrophobicContact CD-CB 4.15Å; K248-Q291 HydrophobicContact CG-CB 4.37Å; K248-T292 HydrophobicContact CG-CG2 4.11Å
249A97Very high95.6Very high54 Ų5449 Ų4945%0.44624%0.237SC..Hα-helixtrans-66.2-29.2-179.600000112.3D247 K253D247-A249 VanDerWaalsContact C-N 3.34Å; D247-A249 PolarHBondContact O-N 3.09Å; D247-A249 WeakPolarHBondContact OD1-CB 3.5Å; D247-A249 PolarHBondContact OD1-N 3.18Å; A249-K253 WeakPolarHBondContact O-CB 3.36Å; A249-K253 PolarHBondContact O-N 3.27Å; A249-K253 VanDerWaalsContact O-N 3.13Å
250V96.4Very high95.3Very high16 Ų1653 Ų5310%0.09727%0.268CS..Hα-helixtrans-70.4-40.2174.2-176.50000110.9P194 D247 K248 L254 L293P194-V250 HydrophobicContact CB-CG1 3.95Å; P194-V250 HydrophobicContact CB-CG2 4.14Å; D247-V250 HydrophobicContact CB-CG2 3.94Å; D247-V250 PolarHBondContact O-N 2.93Å; D247-V250 WeakPolarHBondContact OD2-CG2 3.29Å; K248-V250 VanDerWaalsContact C-N 3.26Å; K248-V250 PolarHBondContact O-N 3.05Å; V250-L254 PolarHBondContact O-N 3.4Å; V250-L293 HydrophobicContact CB-CD1 4.45Å; V250-L293 HydrophobicContact CG1-CD1 3.66Å; V250-L293 HydrophobicContact CG1-CD2 4.46Å; V250-L293 HydrophobicContact CG1-CG 4.14Å
251Y96.7Very high95.1Very high19 Ų1957.2 Ų57.28%0.07528%0.282CS..Hα-helixtrans-70.4-48.6176.9177.7-103.3000112.6K248 K253 L254 I255 Y267 H290 Q291 T292 L293 A296K248-Y251 PolarHBondContact O-N 3.42Å; K248-Y251 VanDerWaalsContact O-N 3.13Å; Y251-K253 VanDerWaalsContact C-N 3.27Å; Y251-K253 PolarHBondContact O-N 3.12Å; Y251-L254 WeakPolarHBondContact O-CB 3.37Å; Y251-L254 PolarHBondContact O-N 3.47Å; Y251-I255 HydrophobicContact CD1-CG1 4.28Å; Y251-I255 HydrophobicContact CD2-CG1 4.37Å; Y251-I255 HydrophobicContact CE1-CD1 4.45Å; Y251-I255 HydrophobicContact CE1-CG1 3.8Å; Y251-I255 HydrophobicContact CE2-CD1 3.93Å; Y251-I255 HydrophobicContact CE2-CG1 3.89Å; Y251-I255 WeakPolarHBondContact O-CG1 3.21Å; Y251-I255 PolarHBondContact O-N 3.07Å; Y251-Y267 PolarHBondContact OH-OH 2.88Å; Y251-H290 HydrophobicContact CE1-CB 4.25Å; Y251-H290 VanDerWaalsContact CE1-O 3.24Å; Y251-H290 WeakPolarHBondContact CE1-O 3.19Å; Y251-Q291 VanDerWaalsContact CD1-C 3.43Å; Y251-Q291 WeakPolarHBondContact CD1-O 3.44Å; Y251-T292 VanDerWaalsContact CD2-O 3.32Å; Y251-T292 WeakPolarHBondContact CD2-O 3.41Å; Y251-L293 HydrophobicContact CD2-CD2 4.31Å; Y251-A296 HydrophobicContact CE2-CB 4.03Å
252E96.2Very high94.7Very high129 Ų12966 Ų6660%0.60332%0.316SS*.Hα-helixtrans-54.4-45.1175.7-73.1173.6-178.700111.3K248 I255 Y256K248-E252 WeakPolarHBondContact O-CB 3.13Å; K248-E252 WeakPolarHBondContact O-CG 3.24Å; K248-E252 PolarHBondContact O-N 3.02Å; E252-I255 PolarHBondContact O-N 2.84Å; E252-Y256 WeakPolarHBondContact O-CB 3.43Å; E252-Y256 PolarHBondContact O-N 3.04Å
253K94.9Very high94.2Very high75 Ų7566.2 Ų66.233%0.32632%0.317SS..Hα-helixtrans-63.3-40.8174.8179.7-169.4162.2-147.60112.7A249 Y251 Y256 E257A249-K253 WeakPolarHBondContact O-CB 3.36Å; A249-K253 PolarHBondContact O-N 3.27Å; A249-K253 VanDerWaalsContact O-N 3.13Å; Y251-K253 VanDerWaalsContact C-N 3.27Å; Y251-K253 PolarHBondContact O-N 3.12Å; K253-Y256 PolarHBondContact O-N 2.74Å; K253-E257 WeakPolarHBondContact CE-OE1 3.21Å; K253-E257 IonicContact NZ-OE1 3.63Å; K253-E257 WeakPolarHBondContact O-CB 3.4Å; K253-E257 PolarHBondContact O-N 2.96Å
254L95.4Very high94Very high5 Ų563.1 Ų63.13%0.02630%0.3CS..Hα-helixtrans-62.3-47.2175.5170.260.9000110.8F56 L201 W205 V250 Y251 E257 T258 L293F56-L254 HydrophobicContact CB-CD1 3.87Å; L201-L254 HydrophobicContact CB-CD2 4.43Å; L201-L254 HydrophobicContact CD2-CD2 3.68Å; L201-L254 HydrophobicContact CG-CD2 4.3Å; W205-L254 HydrophobicContact CH2-CD2 3.84Å; W205-L254 HydrophobicContact CH2-CG 4.2Å; W205-L254 HydrophobicContact CZ2-CD2 4.4Å; W205-L254 HydrophobicContact CZ3-CD2 4.36Å; W205-L254 HydrophobicContact CZ3-CG 4.43Å; V250-L254 PolarHBondContact O-N 3.4Å; Y251-L254 WeakPolarHBondContact O-CB 3.37Å; Y251-L254 PolarHBondContact O-N 3.47Å; L254-E257 PolarHBondContact O-N 3.39Å; L254-T258 HydrophobicContact CD1-CG2 3.69Å; L254-T258 WeakPolarHBondContact O-CB 3.36Å; L254-T258 WeakPolarHBondContact O-CG2 3.38Å; L254-T258 PolarHBondContact O-N 3.1Å; L254-T258 PolarHBondContact O-OG1 3.02Å; L254-L293 HydrophobicContact CD2-CD2 3.78Å
255I95.3Very high93.6Very high26 Ų2663.3 Ų63.313%0.13331%0.306CS..Hα-helixtrans-60.2-47.9177.3-63.8-63.6000110.1W205 Y251 E252 E257 T258 E259 Y267W205-I255 HydrophobicContact CH2-CD1 3.76Å; W205-I255 HydrophobicContact CZ3-CD1 4.34Å; Y251-I255 HydrophobicContact CD1-CG1 4.28Å; Y251-I255 HydrophobicContact CD2-CG1 4.37Å; Y251-I255 HydrophobicContact CE1-CD1 4.45Å; Y251-I255 HydrophobicContact CE1-CG1 3.8Å; Y251-I255 HydrophobicContact CE2-CD1 3.93Å; Y251-I255 HydrophobicContact CE2-CG1 3.89Å; Y251-I255 WeakPolarHBondContact O-CG1 3.21Å; Y251-I255 PolarHBondContact O-N 3.07Å; E252-I255 PolarHBondContact O-N 2.84Å; I255-E257 PolarHBondContact O-N 2.59Å; I255-T258 CarbonylContact O-C 3.59Å; I255-T258 PolarHBondContact O-N 2.95Å; I255-E259 WeakPolarHBondContact O-CB 3.4Å; I255-E259 PolarHBondContact O-N 3.35Å; I255-Y267 HydrophobicContact CD1-CE1 4.03Å
256Y94.4Very high93.2Very high184 Ų18465.7 Ų65.772%0.72232%0.319SS*.Hα-helixtrans-60.5-40.8176.7-178.9-103.4000113.6E252 K253 T258E252-Y256 WeakPolarHBondContact O-CB 3.43Å; E252-Y256 PolarHBondContact O-N 3.04Å; K253-Y256 PolarHBondContact O-N 2.74Å; Y256-T258 PolarHBondContact O-N 2.89Å
257E92.6Very high92.9Very high52 Ų5264.3 Ų64.324%0.24331%0.312CS..Hα-helixtrans-72-13.3175-74.5-161.6-129.900113.7R55 F56 K253 L254 I255R55-E257 IonicContact CZ-OE2 3.84Å; R55-E257 VanDerWaalsContact CZ-OE2 3.25Å; R55-E257 IonicContact NE-OE2 3.4Å; R55-E257 PolarHBondContact NE-OE2 2.87Å; R55-E257 IonicContact NH2-OE2 2.63Å; R55-E257 PolarHBondContact NH2-OE2 3.49Å; F56-E257 HydrophobicContact CD1-CB 3.9Å; F56-E257 HydrophobicContact CE1-CB 3.97Å; F56-E257 WeakPolarHBondContact CE1-O 3.34Å; F56-E257 WeakPolarHBondContact CZ-O 3.27Å; K253-E257 WeakPolarHBondContact CE-OE1 3.21Å; K253-E257 IonicContact NZ-OE1 3.63Å; K253-E257 WeakPolarHBondContact O-CB 3.4Å; K253-E257 PolarHBondContact O-N 2.96Å; L254-E257 PolarHBondContact O-N 3.39Å; I255-E257 PolarHBondContact O-N 2.59Å
258T93.5Very high92.6Very high0 Ų064.4 Ų64.40%031%0.31CS..Hα-helixtrans-124.5-3.4-173.161.80000116.2F56 Y202 L254 I255 Y256 S260 R261 C264F56-T258 HydrophobicContact CB-CG2 4.04Å; F56-T258 HydrophobicContact CD1-CG2 3.81Å; F56-T258 HydrophobicContact CD2-CG2 3.49Å; F56-T258 VanDerWaalsContact CD2-CG2 3.49Å; F56-T258 HydrophobicContact CE1-CG2 4.09Å; F56-T258 HydrophobicContact CE2-CG2 3.8Å; F56-T258 HydrophobicContact CG-CG2 3.5Å; F56-T258 VanDerWaalsContact CG-CG2 3.5Å; F56-T258 HydrophobicContact CZ-CG2 4.08Å; Y202-T258 HydrophobicContact CD2-CG2 3.62Å; Y202-T258 HydrophobicContact CE2-CG2 3.92Å; L254-T258 HydrophobicContact CD1-CG2 3.69Å; L254-T258 WeakPolarHBondContact O-CB 3.36Å; L254-T258 WeakPolarHBondContact O-CG2 3.38Å; L254-T258 PolarHBondContact O-N 3.1Å; L254-T258 PolarHBondContact O-OG1 3.02Å; I255-T258 CarbonylContact O-C 3.59Å; I255-T258 PolarHBondContact O-N 2.95Å; Y256-T258 PolarHBondContact O-N 2.89Å; T258-S260 PolarHBondContact O-N 3.38Å; T258-S260 VanDerWaalsContact O-N 3.13Å; T258-R261 WeakPolarHBondContact O-CA 3.42Å; T258-R261 WeakPolarHBondContact O-CB 3.49Å; T258-R261 PolarHBondContact O-N 2.78Å; T258-C264 WeakPolarHBondContact O-CB 3.4Å
259E89.3Confident92.2Very high130 Ų13065.6 Ų65.661%0.60732%0.32SS*.THydrogen-bonded Turntrans-50.2-41.2-179-177177-146.400112.9I255 R261I255-E259 WeakPolarHBondContact O-CB 3.4Å; I255-E259 PolarHBondContact O-N 3.35Å; E259-R261 PolarHBondContact O-N 2.66Å
260S88.1Confident91.7Very high111 Ų11164.9 Ų64.978%0.77631%0.311SS*.THydrogen-bonded Turntrans-76.56177.777.40000114.6T258T258-S260 PolarHBondContact O-N 3.38Å; T258-S260 VanDerWaalsContact O-N 3.13Å
261R90.1Very high91.3Very high119 Ų11964.6 Ų64.645%0.44931%0.31SS..SBendtrans-108.4130.9-177.4-58.5-62.4-173.8162.12.7110.7F56 Y202 T258 E259 A263 C264 G265F56-R261 HydrophobicContact CE2-CG 4.27Å; F56-R261 HydrophobicContact CZ-CG 4.48Å; Y202-R261 HydrophobicContact CE2-CB 3.99Å; Y202-R261 HydrophobicContact CE2-CG 4.31Å; T258-R261 WeakPolarHBondContact O-CA 3.42Å; T258-R261 WeakPolarHBondContact O-CB 3.49Å; T258-R261 PolarHBondContact O-N 2.78Å; E259-R261 PolarHBondContact O-N 2.66Å; R261-A263 PolarHBondContact O-N 2.8Å; R261-A263 VanDerWaalsContact O-N 3.07Å; R261-C264 WeakPolarHBondContact O-CB 3.24Å; R261-C264 PolarHBondContact O-N 2.76Å; R261-G265 PolarHBondContact O-N 3.13Å
262R88.2Confident90.8Very high186 Ų18667.5 Ų67.570%0.70233%0.333SS*.Hα-helixtrans-50.1-37.7179.5-176.6179.5179.3-173.47.2113.6C264 G265 D266R262-C264 PolarHBondContact O-N 3.27Å; R262-G265 PolarHBondContact O-N 3.04Å; R262-D266 WeakPolarHBondContact CG-OD2 3.21Å; R262-D266 IonicContact CZ-OD2 2.98Å; R262-D266 IonicContact NE-OD2 3.54Å; R262-D266 PolarHBondContact NE-OD2 3.36Å; R262-D266 VanDerWaalsContact NE-OD2 3.07Å; R262-D266 WeakPolarHBondContact O-CB 3.43Å; R262-D266 PolarHBondContact O-N 3.35Å
263A87.9Confident90.1Very high3 Ų364.6 Ų64.63%0.02533%0.327CS..Hα-helixtrans-62.9-37.5178.100000113.3Y202 W205 E206 R261 Y267Y202-A263 HydrophobicContact CE2-CB 3.93Å; W205-A263 HydrophobicContact CB-CB 4.26Å; E206-A263 HydrophobicContact CB-CB 4.21Å; R261-A263 PolarHBondContact O-N 2.8Å; R261-A263 VanDerWaalsContact O-N 3.07Å; A263-Y267 VanDerWaalsContact O-CB 3.31Å; A263-Y267 WeakPolarHBondContact O-CB 3.46Å; A263-Y267 PolarHBondContact O-N 3.47Å; A263-Y267 VanDerWaalsContact O-N 3.13Å
264C91.7Very high89.1Confident0 Ų065.2 Ų65.20%033%0.333CS..Hα-helixtrans-69.7-47.1175.1-176.30000111.2W205 T258 R261 R262 D266 Y267 Q268W205-C264 HydrophobicContact CE3-CB 4.48Å; W205-C264 HydrophobicContact CZ3-CB 4.24Å; T258-C264 WeakPolarHBondContact O-CB 3.4Å; R261-C264 WeakPolarHBondContact O-CB 3.24Å; R261-C264 PolarHBondContact O-N 2.76Å; R262-C264 PolarHBondContact O-N 3.27Å; C264-D266 PolarHBondContact O-N 2.85Å; C264-Y267 CarbonylContact O-C 3.51Å; C264-Y267 WeakPolarHBondContact O-CA 3.5Å; C264-Y267 WeakPolarHBondContact O-CB 3.18Å; C264-Y267 PolarHBondContact O-N 3.47Å; C264-Y267 VanDerWaalsContact O-N 3.12Å; C264-Q268 WeakPolarHBondContact O-CG 3.33Å; C264-Q268 PolarHBondContact O-N 3.31Å; C264-Q268 PolarHBondContact O-OE1 2.82Å; C264-Q268 PolarHBondContact SG-OE1 3.49Å; C264-Q268 VanDerWaalsContact SG-OE1 3.38Å
265G89.8Confident88Confident24 Ų2466.3 Ų66.325%0.24734%0.341CS..Hα-helixtrans-60.6-45.9178.600000113.2R261 R262 Y267 Q268 L269R261-G265 PolarHBondContact O-N 3.13Å; R262-G265 PolarHBondContact O-N 3.04Å; G265-Y267 VanDerWaalsContact C-N 3.26Å; G265-Y267 PolarHBondContact O-N 3.21Å; G265-Q268 PolarHBondContact O-N 3.49Å; G265-L269 WeakPolarHBondContact O-CB 3.43Å; G265-L269 WeakPolarHBondContact O-CG 3.19Å; G265-L269 PolarHBondContact O-N 3.34Å
266D88.3Confident86.7Confident49 Ų4974.1 Ų74.126%0.26238%0.377SS..Hα-helixtrans-67.7-24.4175.9-72.4-43.1000112.6R209 R262 C264 S270R209-D266 IonicContact CZ-OD2 2.78Å; R209-D266 IonicContact NH1-OD2 2.67Å; R209-D266 PolarHBondContact NH1-OD2 3.12Å; R209-D266 IonicContact NH2-OD2 3.92Å; R209-D266 PolarHBondContact NH2-OD2 2.93Å; R262-D266 WeakPolarHBondContact CG-OD2 3.21Å; R262-D266 IonicContact CZ-OD2 2.98Å; R262-D266 IonicContact NE-OD2 3.54Å; R262-D266 PolarHBondContact NE-OD2 3.36Å; R262-D266 VanDerWaalsContact NE-OD2 3.07Å; R262-D266 WeakPolarHBondContact O-CB 3.43Å; R262-D266 PolarHBondContact O-N 3.35Å; C264-D266 PolarHBondContact O-N 2.85Å; D266-S270 WeakPolarHBondContact O-CB 3.12Å; D266-S270 PolarHBondContact O-N 3.03Å
267Y91.3Very high85.6Confident5 Ų566.8 Ų66.82%0.0235%0.349CS..Hα-helixtrans-72.5-51.8169153.7-100.5000110.9W205 Y251 I255 A263 C264 G265 L269 S270 V271 H290 A296 F299W205-Y267 AromaticContact CD1-CD2 3.98Å; W205-Y267 HydrophobicContact CD2-CD1 4.16Å; W205-Y267 HydrophobicContact CD2-CD2 4.29Å; W205-Y267 AromaticContact CD2-CG 3.92Å; W205-Y267 HydrophobicContact CD2-CG 3.92Å; W205-Y267 AromaticContact CE2-CD1 3.83Å; W205-Y267 AromaticContact CE2-CD2 3.73Å; W205-Y267 AromaticContact CE2-CE2 3.9Å; W205-Y267 AromaticContact CE2-CG 3.69Å; W205-Y267 HydrophobicContact CE3-CD1 4.28Å; W205-Y267 HydrophobicContact CE3-CG 4.41Å; W205-Y267 HydrophobicContact CG-CD2 4.43Å; W205-Y267 HydrophobicContact CG-CG 4.28Å; W205-Y267 AromaticContact CH2-CD1 3.84Å; W205-Y267 HydrophobicContact CH2-CD1 3.84Å; W205-Y267 AromaticContact CH2-CE1 3.73Å; W205-Y267 HydrophobicContact CH2-CE1 3.73Å; W205-Y267 AromaticContact CZ2-CD1 3.67Å; W205-Y267 HydrophobicContact CZ2-CD1 3.67Å; W205-Y267 HydrophobicContact CZ2-CD2 4.15Å; W205-Y267 AromaticContact CZ2-CE1 3.46Å; W205-Y267 HydrophobicContact CZ2-CE1 3.46Å; W205-Y267 VanDerWaalsContact CZ2-CE1 3.46Å; W205-Y267 AromaticContact CZ2-CE2 3.95Å; W205-Y267 HydrophobicContact CZ2-CE2 3.95Å; W205-Y267 HydrophobicContact CZ2-CG 4.02Å; W205-Y267 AromaticContact CZ2-CZ 3.59Å; W205-Y267 HydrophobicContact CZ3-CD1 4.13Å; W205-Y267 HydrophobicContact CZ3-CE1 4.47Å; W205-Y267 AromaticContact NE1-CD2 3.51Å; W205-Y267 AromaticContact NE1-CE2 3.71Å; W205-Y267 AromaticContact NE1-CG 3.91Å; Y251-Y267 PolarHBondContact OH-OH 2.88Å; I255-Y267 HydrophobicContact CD1-CE1 4.03Å; A263-Y267 VanDerWaalsContact O-CB 3.31Å; A263-Y267 WeakPolarHBondContact O-CB 3.46Å; A263-Y267 PolarHBondContact O-N 3.47Å; A263-Y267 VanDerWaalsContact O-N 3.13Å; C264-Y267 CarbonylContact O-C 3.51Å; C264-Y267 WeakPolarHBondContact O-CA 3.5Å; C264-Y267 WeakPolarHBondContact O-CB 3.18Å; C264-Y267 PolarHBondContact O-N 3.47Å; C264-Y267 VanDerWaalsContact O-N 3.12Å; G265-Y267 VanDerWaalsContact C-N 3.26Å; G265-Y267 PolarHBondContact O-N 3.21Å; Y267-L269 PolarHBondContact O-N 2.85Å; Y267-S270 CarbonylContact O-C 3.59Å; Y267-S270 WeakPolarHBondContact O-CA 3.35Å; Y267-S270 WeakPolarHBondContact O-CB 3.4Å; Y267-S270 PolarHBondContact O-N 3.17Å; Y267-V271 HydrophobicContact CD2-CG2 3.99Å; Y267-V271 HydrophobicContact CE2-CG2 3.64Å; Y267-V271 WeakPolarHBondContact O-CG2 3.42Å; Y267-V271 PolarHBondContact O-N 3.28Å; Y267-H290 AromaticContact CE2-ND1 3.98Å; Y267-H290 AromaticContact CZ-ND1 3.72Å; Y267-H290 PolarHBondContact OH-ND1 2.85Å; Y267-A296 HydrophobicContact CE2-CB 4.13Å; Y267-A296 VanDerWaalsContact OH-CB 3.3Å; Y267-A296 WeakPolarHBondContact OH-CB 3.41Å; Y267-F299 AromaticContact CD2-CD1 3.76Å; Y267-F299 HydrophobicContact CD2-CD1 3.76Å; Y267-F299 AromaticContact CD2-CE1 3.86Å; Y267-F299 HydrophobicContact CD2-CE1 3.86Å; Y267-F299 AromaticContact CE2-CD1 3.75Å; Y267-F299 HydrophobicContact CE2-CD1 3.75Å; Y267-F299 HydrophobicContact CE2-CE1 4.25Å; Y267-F299 HydrophobicContact CE2-CG 4.32Å
268Q90.9Very high84.4Confident76 Ų7672.5 Ų72.536%0.35538%0.375SS..Hα-helixtrans-59.5-43.1-179.6-72.4168.6-55.500112.2C264 G265 S270 V271 S272C264-Q268 WeakPolarHBondContact O-CG 3.33Å; C264-Q268 PolarHBondContact O-N 3.31Å; C264-Q268 PolarHBondContact O-OE1 2.82Å; C264-Q268 PolarHBondContact SG-OE1 3.49Å; C264-Q268 VanDerWaalsContact SG-OE1 3.38Å; G265-Q268 PolarHBondContact O-N 3.49Å; Q268-S270 VanDerWaalsContact C-N 3.31Å; Q268-S270 PolarHBondContact O-N 2.99Å; Q268-V271 PolarHBondContact O-N 2.63Å; Q268-S272 PolarHBondContact O-N 2.95Å
269L88.1Confident83.3Confident115 Ų11574 Ų7460%0.60238%0.382SS*.Hα-helixtrans-60.8-39.2172.2-72169.2000112.3G265 Y267 V271 S272 S273G265-L269 WeakPolarHBondContact O-CB 3.43Å; G265-L269 WeakPolarHBondContact O-CG 3.19Å; G265-L269 PolarHBondContact O-N 3.34Å; Y267-L269 PolarHBondContact O-N 2.85Å; L269-V271 VanDerWaalsContact C-N 3.3Å; L269-V271 PolarHBondContact O-N 3.45Å; L269-S272 PolarHBondContact O-N 3.34Å; L269-S272 PolarHBondContact O-OG 3.44Å; L269-S273 PolarHBondContact O-N 3.13Å
270S87.7Confident82.3Confident38 Ų3869.4 Ų69.427%0.26636%0.364SS..Hα-helixtrans-76.9-15.9179.5-168.10000113.5D266 Y267 Q268 S273 F299D266-S270 WeakPolarHBondContact O-CB 3.12Å; D266-S270 PolarHBondContact O-N 3.03Å; Y267-S270 CarbonylContact O-C 3.59Å; Y267-S270 WeakPolarHBondContact O-CA 3.35Å; Y267-S270 WeakPolarHBondContact O-CB 3.4Å; Y267-S270 PolarHBondContact O-N 3.17Å; Q268-S270 VanDerWaalsContact C-N 3.31Å; Q268-S270 PolarHBondContact O-N 2.99Å; S270-S273 PolarHBondContact O-OG 3.37Å; S270-F299 WeakPolarHBondContact O-CE2 3.42Å; S270-F299 VanDerWaalsContact O-CZ 3.22Å; S270-F299 WeakPolarHBondContact O-CZ 3.14Å
271V87.9Confident81.3Confident11 Ų1170.1 Ų70.17%0.06737%0.366CS..Hα-helixtrans-81.6-43.4169.6171.90000110.2Y267 Q268 L269 S273 L288 H290 F299 R337Y267-V271 HydrophobicContact CD2-CG2 3.99Å; Y267-V271 HydrophobicContact CE2-CG2 3.64Å; Y267-V271 WeakPolarHBondContact O-CG2 3.42Å; Y267-V271 PolarHBondContact O-N 3.28Å; Q268-V271 PolarHBondContact O-N 2.63Å; L269-V271 VanDerWaalsContact C-N 3.3Å; L269-V271 PolarHBondContact O-N 3.45Å; V271-S273 VanDerWaalsContact C-N 3.29Å; V271-S273 PolarHBondContact O-N 3.4Å; V271-L288 HydrophobicContact CG1-CB 4.33Å; V271-L288 HydrophobicContact CG1-CD2 4.09Å; V271-L288 HydrophobicContact CG1-CG 3.95Å; V271-L288 WeakPolarHBondContact CG1-O 3.5Å; V271-H290 WeakPolarHBondContact CG2-CE1 3.07Å; V271-F299 HydrophobicContact CB-CE2 4.45Å; V271-F299 HydrophobicContact CG2-CD1 4.17Å; V271-F299 HydrophobicContact CG2-CD2 3.89Å; V271-F299 HydrophobicContact CG2-CE1 4.04Å; V271-F299 HydrophobicContact CG2-CE2 3.76Å; V271-F299 HydrophobicContact CG2-CG 4.1Å; V271-F299 HydrophobicContact CG2-CZ 3.84Å; V271-R337 PolarHBondContact O-NH2 3.06Å
272S85.4Confident80.2Confident80 Ų8068.6 Ų68.656%0.55937%0.366SS*.Hα-helixtrans-69.3-21-178.267.90000114.3Q268 L269Q268-S272 PolarHBondContact O-N 2.95Å; L269-S272 PolarHBondContact O-N 3.34Å; L269-S272 PolarHBondContact O-OG 3.44Å
273S81.9Confident79.3Confident68 Ų6861.6 Ų61.648%0.47634%0.342SS..PPolyproline II helixtrans-71.2130.6175.360.30000112.3L269 S270 V271 R337L269-S273 PolarHBondContact O-N 3.13Å; S270-S273 PolarHBondContact O-OG 3.37Å; V271-S273 VanDerWaalsContact C-N 3.29Å; V271-S273 PolarHBondContact O-N 3.4Å; S273-R337 PolarHBondContact O-NE 3.5Å; S273-R337 PolarHBondContact O-NH2 3.45Å
274N72.5Confident77.8Confident87 Ų8763.9 Ų63.947%0.46536%0.357SS..PPolyproline II helixtrans-95.8147.1176-75.3-30000111.1R337N274-R337 PolarHBondContact OD1-NH2 3.34Å
275P72.4Confident75.9Confident29 Ų2970.1 Ų70.119%0.18839%0.391CS..PPolyproline II helixtrans-73.6151.4177.530.9-34.8000112.4F277P275-F277 HydrophobicContact CB-CD2 4.18Å; P275-F277 HydrophobicContact CG-CD2 4.46Å; P275-F277 PolarHBondContact O-N 3.42Å
276E68.1Low74.4Confident190 Ų19075.9 Ų75.989%0.88841%0.411SS*.SBendtrans-72.145.7-178.1-55.9179.514100114.2
277F71.3Confident73.5Confident29 Ų2980 Ų8013%0.12743%0.433CS..  trans-115.5126.7-178.9-75.7-49.1000111.9P275 F279 A339 L343 N395P275-F277 HydrophobicContact CB-CD2 4.18Å; P275-F277 HydrophobicContact CG-CD2 4.46Å; P275-F277 PolarHBondContact O-N 3.42Å; F277-F279 HydrophobicContact CB-CD2 3.84Å; F277-F279 HydrophobicContact CB-CE2 3.32Å; F277-F279 HydrophobicContact CB-CZ 3.86Å; F277-F279 HydrophobicContact CD2-CE2 4.12Å; F277-F279 HydrophobicContact CD2-CZ 4.18Å; F277-F279 HydrophobicContact CG-CE2 4.12Å; F277-F279 HydrophobicContact CG-CZ 4.28Å; F277-F279 WeakPolarHBondContact O-CD2 3.47Å; F277-F279 PolarHBondContact O-N 3.15Å; F277-A339 HydrophobicContact CE2-CB 3.93Å; F277-L343 HydrophobicContact CE1-CD2 3.72Å; F277-L343 HydrophobicContact CZ-CB 4.39Å; F277-L343 HydrophobicContact CZ-CD2 3.6Å; F277-N395 HydrophobicContact CD1-CB 3.71Å; F277-N395 HydrophobicContact CE1-CB 3.9Å
278E67.4Low73.2Confident172 Ų17280.9 Ų80.980%0.80444%0.438SS*.  trans-68120.6166.7-65.6-175.6167.900110.1N395E278-N395 PolarHBondContact O-ND2 2.86Å
279F71.8Confident73Confident31 Ų3182.1 Ų82.114%0.13645%0.451CS..  trans-127142172.7-71-72.7000109.7F277 I283 T336 L388 H391F277-F279 HydrophobicContact CB-CD2 3.84Å; F277-F279 HydrophobicContact CB-CE2 3.32Å; F277-F279 HydrophobicContact CB-CZ 3.86Å; F277-F279 HydrophobicContact CD2-CE2 4.12Å; F277-F279 HydrophobicContact CD2-CZ 4.18Å; F277-F279 HydrophobicContact CG-CE2 4.12Å; F277-F279 HydrophobicContact CG-CZ 4.28Å; F277-F279 WeakPolarHBondContact O-CD2 3.47Å; F277-F279 PolarHBondContact O-N 3.15Å; F279-I283 HydrophobicContact CB-CB 4.19Å; F279-I283 HydrophobicContact CB-CG2 4.33Å; F279-I283 HydrophobicContact CD1-CD1 4.2Å; F279-I283 HydrophobicContact CD1-CG2 4.18Å; F279-I283 HydrophobicContact CG-CG2 4.33Å; F279-T336 HydrophobicContact CD2-CG2 4.25Å; F279-T336 HydrophobicContact CE2-CG2 3.56Å; F279-T336 HydrophobicContact CZ-CG2 3.76Å; F279-L388 HydrophobicContact CD1-CD1 4.44Å; F279-L388 HydrophobicContact CE1-CD1 3.86Å; F279-L388 HydrophobicContact CZ-CD1 4.18Å; F279-H391 HydrophobicContact CD1-CB 3.81Å; F279-H391 HydrophobicContact CE1-CB 4.02Å
280P68.4Low73.3Confident35 Ų3577.2 Ų77.223%0.22743%0.425CS..  trans-62.9158.9176.426.9-36.6000112I282 I283 S284 H391P280-I282 HydrophobicContact CB-CG2 4.32Å; P280-I282 HydrophobicContact CG-CG2 4.08Å; P280-I282 PolarHBondContact O-N 3.34Å; P280-I283 HydrophobicContact CG-CD1 3.62Å; P280-I283 HydrophobicContact CG-CG1 3.99Å; P280-I283 PolarHBondContact O-N 3.44Å; P280-S284 WeakPolarHBondContact O-CB 3.32Å; P280-S284 PolarHBondContact O-N 3.47Å; P280-H391 WeakPolarHBondContact CD-ND1 3.3Å
281P66.3Low73.6Confident125 Ų12579.9 Ų79.981%0.81243%0.433SS*.THydrogen-bonded Turntrans-56.2-22.6-177.4-27.836000115.7I283P281-I283 PolarHBondContact O-N 3.17Å
282I67.2Low74Confident88 Ų8879.6 Ų79.645%0.45143%0.431SS..THydrogen-bonded Turntrans-73.3-7.5176.8-160.9167.9000113.9P280 N384P280-I282 HydrophobicContact CB-CG2 4.32Å; P280-I282 HydrophobicContact CG-CG2 4.08Å; P280-I282 PolarHBondContact O-N 3.34Å; I282-N384 WeakPolarHBondContact CG1-ND2 3.38Å
283I69.1Low74.6Confident39 Ų3975.8 Ų75.820%0.240%0.404CS..THydrogen-bonded Turntrans-126.2-31.7179-45.7173.1000111F279 P280 P281 H387 L388 H391F279-I283 HydrophobicContact CB-CB 4.19Å; F279-I283 HydrophobicContact CB-CG2 4.33Å; F279-I283 HydrophobicContact CD1-CD1 4.2Å; F279-I283 HydrophobicContact CD1-CG2 4.18Å; F279-I283 HydrophobicContact CG-CG2 4.33Å; P280-I283 HydrophobicContact CG-CD1 3.62Å; P280-I283 HydrophobicContact CG-CG1 3.99Å; P280-I283 PolarHBondContact O-N 3.44Å; P281-I283 PolarHBondContact O-N 3.17Å; I283-H387 HydrophobicContact CD1-CB 3.77Å; I283-H387 HydrophobicContact CG1-CB 4.12Å; I283-L388 HydrophobicContact CG2-CB 4.3Å; I283-L388 HydrophobicContact CG2-CD1 3.79Å; I283-H391 HydrophobicContact CD1-CB 4.14Å
284S57.2Low75.4Confident50 Ų5072.5 Ų72.535%0.3538%0.382SS..  trans-73.1149.4-172.4-168.30000113.6P280P280-S284 WeakPolarHBondContact O-CB 3.32Å; P280-S284 PolarHBondContact O-N 3.47Å
285N51.8Low76.5Confident131 Ų13169 Ų6970%0.70136%0.363SS*.  trans59.575.8171.9-65.6-23.2000117.4
286Q57.3Low77.6Confident145 Ų14567.6 Ų67.668%0.67835%0.354SS*.  trans-112124.6138.2-68.9-174.4-8.700108.7L288Q286-L288 PolarHBondContact O-N 2.88Å
287N69.7Low78.9Confident137 Ų13758.6 Ų58.673%0.73331%0.312SS*.  trans-64.2118.2170-78.3-13.4000108V289N287-V289 PolarHBondContact O-N 3.18Å; N287-V289 VanDerWaalsContact O-N 3.1Å
288L84.3Confident80Confident22 Ų2257.5 Ų57.512%0.11531%0.307CS..  trans-71.1108.6-176.1-177.159.7000109.9V271 Q286 H290 N333 R337V271-L288 HydrophobicContact CG1-CB 4.33Å; V271-L288 HydrophobicContact CG1-CD2 4.09Å; V271-L288 HydrophobicContact CG1-CG 3.95Å; V271-L288 WeakPolarHBondContact CG1-O 3.5Å; Q286-L288 PolarHBondContact O-N 2.88Å; L288-H290 WeakPolarHBondContact CD2-NE2 3.13Å; L288-H290 WeakPolarHBondContact CG-NE2 3.25Å; L288-N333 HydrophobicContact CD1-CB 3.84Å; L288-R337 VanDerWaalsContact CD2-CZ 3.45Å
289V87.9Confident81.3Confident102 Ų10249.9 Ų49.962%0.61827%0.271SS*.  trans-118.1111.8176.2179.40000108.3N287N287-V289 PolarHBondContact O-N 3.18Å; N287-V289 VanDerWaalsContact O-N 3.1Å
290H93.9Very high82.2Confident13 Ų1348.7 Ų48.76%0.0627%0.267CS..  trans-76140.8175.7-64.5177.5000110.3Y251 Y267 V271 L288 D295 F299 H334Y251-H290 HydrophobicContact CE1-CB 4.25Å; Y251-H290 VanDerWaalsContact CE1-O 3.24Å; Y251-H290 WeakPolarHBondContact CE1-O 3.19Å; Y267-H290 AromaticContact CE2-ND1 3.98Å; Y267-H290 AromaticContact CZ-ND1 3.72Å; Y267-H290 PolarHBondContact OH-ND1 2.85Å; V271-H290 WeakPolarHBondContact CG2-CE1 3.07Å; L288-H290 WeakPolarHBondContact CD2-NE2 3.13Å; L288-H290 WeakPolarHBondContact CG-NE2 3.25Å; H290-D295 HydrophobicContact CB-CB 3.61Å; H290-F299 AromaticContact CE1-CD2 3.87Å; H290-F299 AromaticContact CE1-CG 3.82Å; H290-H334 AromaticContact CE1-CE1 3.79Å; H290-H334 AromaticContact CE1-NE2 3.52Å; H290-H334 AromaticContact NE2-CE1 3.29Å; H290-H334 PolarHBondContact NE2-CE1 3.18Å; H290-H334 VanDerWaalsContact NE2-CE1 3.29Å; H290-H334 AromaticContact NE2-NE2 3.23Å; H290-H334 PolarHBondContact NE2-NE2 3.4Å
291Q93.8Very high83.3Confident94 Ų9447.2 Ų47.244%0.43926%0.257SS..  trans-124.2-14.8-178.4-59.8-177.21500112.4K248 Y251 D295K248-Q291 VanDerWaalsContact CA-O 3.3Å; K248-Q291 WeakPolarHBondContact CA-O 3.3Å; K248-Q291 WeakPolarHBondContact CB-O 3.32Å; K248-Q291 HydrophobicContact CD-CB 4.15Å; K248-Q291 HydrophobicContact CG-CB 4.37Å; Y251-Q291 VanDerWaalsContact CD1-C 3.43Å; Y251-Q291 WeakPolarHBondContact CD1-O 3.44Å; Q291-D295 PolarHBondContact N-OD2 3.35Å
292T97.5Very high84.5Confident4 Ų441.5 Ų41.53%0.02522%0.22CC..SBendtrans-129.6162.5-171.564.50000111.7I246 K248 Y251 L294 D295I246-T292 WeakPolarHBondContact O-CG2 3.31Å; K248-T292 HydrophobicContact CG-CG2 4.11Å; Y251-T292 VanDerWaalsContact CD2-O 3.32Å; Y251-T292 WeakPolarHBondContact CD2-O 3.41Å; T292-L294 PolarHBondContact O-N 3.11Å; T292-L294 PolarHBondContact OG1-N 2.86Å; T292-D295 PolarHBondContact N-OD2 2.95Å; T292-D295 PolarHBondContact O-N 3.41Å; T292-D295 PolarHBondContact OG1-N 2.99Å; T292-D295 PolarHBondContact OG1-OD2 2.93Å
293L97.4Very high85.5Confident0 Ų041.4 Ų41.40%022%0.216CC..Hα-helixtrans-63-33.8168-65.2-178.7000110.3L197 L201 V244 M245 V250 Y251 L254 D295 A296 F297L197-L293 HydrophobicContact CB-CD1 4.09Å; L201-L293 HydrophobicContact CD2-CB 4.45Å; L201-L293 HydrophobicContact CD2-CD2 3.59Å; V244-L293 HydrophobicContact CG1-CD1 4.43Å; M245-L293 PolarHBondContact O-N 3.2Å; V250-L293 HydrophobicContact CB-CD1 4.45Å; V250-L293 HydrophobicContact CG1-CD1 3.66Å; V250-L293 HydrophobicContact CG1-CD2 4.46Å; V250-L293 HydrophobicContact CG1-CG 4.14Å; Y251-L293 HydrophobicContact CD2-CD2 4.31Å; L254-L293 HydrophobicContact CD2-CD2 3.78Å; L293-D295 PolarHBondContact O-N 3.06Å; L293-A296 CarbonylContact O-C 3.58Å; L293-A296 PolarHBondContact O-N 3.33Å; L293-F297 HydrophobicContact CB-CD2 4.26Å; L293-F297 HydrophobicContact CB-CE2 4.47Å; L293-F297 VanDerWaalsContact O-CD2 3.3Å; L293-F297 WeakPolarHBondContact O-CD2 3.43Å; L293-F297 PolarHBondContact O-N 3.02Å
294L97.4Very high86.3Confident0 Ų041.1 Ų41.10%022%0.215CC..Hα-helixtrans-56.9-47177.9175.954.8000112.6M245 I246 T292 A296 F297 I298 L314 F323 E326 F327M245-L294 HydrophobicContact CB-CB 4.4Å; M245-L294 HydrophobicContact CE-CD1 4.1Å; M245-L294 WeakPolarHBondContact O-CB 3.24Å; M245-L294 PolarHBondContact O-N 3.49Å; I246-L294 HydrophobicContact CG2-CD2 3.89Å; T292-L294 PolarHBondContact O-N 3.11Å; T292-L294 PolarHBondContact OG1-N 2.86Å; L294-A296 VanDerWaalsContact C-N 3.29Å; L294-A296 PolarHBondContact O-N 3.45Å; L294-F297 PolarHBondContact O-N 2.81Å; L294-I298 HydrophobicContact CD1-CD1 3.81Å; L294-I298 HydrophobicContact CD1-CG1 4.06Å; L294-I298 HydrophobicContact CG-CD1 4.18Å; L294-I298 PolarHBondContact O-N 3.05Å; L294-L314 HydrophobicContact CD1-CD2 4.42Å; L294-F323 HydrophobicContact CD1-CE2 3.87Å; L294-F323 HydrophobicContact CD1-CZ 3.74Å; L294-F323 HydrophobicContact CD2-CD2 4.25Å; L294-F323 HydrophobicContact CD2-CE2 3.98Å; L294-F323 HydrophobicContact CD2-CZ 4.37Å; L294-F323 HydrophobicContact CG-CE2 4.45Å; L294-E326 HydrophobicContact CD2-CB 3.97Å; L294-F327 HydrophobicContact CD1-CD2 3.76Å; L294-F327 HydrophobicContact CD1-CE2 4.29Å; L294-F327 HydrophobicContact CD2-CB 4.25Å
295D95.8Very high87.7Confident13 Ų1342.8 Ų42.87%0.0721%0.214CC..Hα-helixtrans-54.7-47.6174.9-63.3-56.4000111.5H290 Q291 T292 L293 I298 F299 S330 H334H290-D295 HydrophobicContact CB-CB 3.61Å; Q291-D295 PolarHBondContact N-OD2 3.35Å; T292-D295 PolarHBondContact N-OD2 2.95Å; T292-D295 PolarHBondContact O-N 3.41Å; T292-D295 PolarHBondContact OG1-N 2.99Å; T292-D295 PolarHBondContact OG1-OD2 2.93Å; L293-D295 PolarHBondContact O-N 3.06Å; D295-I298 PolarHBondContact O-N 2.76Å; D295-F299 WeakPolarHBondContact O-CB 3.4Å; D295-F299 PolarHBondContact O-N 3.29Å; D295-S330 WeakPolarHBondContact CA-OG 3.36Å; D295-S330 VanDerWaalsContact OD1-CB 3.29Å; D295-S330 WeakPolarHBondContact OD1-CB 3.33Å; D295-S330 PolarHBondContact OD1-OG 3.47Å; D295-H334 PolarHBondContact O-CE1 3.41Å
296A95.6Very high89.5Confident0 Ų036.7 Ų36.70%018%0.181CC..Hα-helixtrans-70-31.5-179.100000113L201 W205 Y251 Y267 L293 L294 S300L201-A296 HydrophobicContact CD1-CB 3.84Å; L201-A296 HydrophobicContact CD2-CB 3.53Å; L201-A296 HydrophobicContact CG-CB 4.22Å; W205-A296 HydrophobicContact CZ2-CB 4.01Å; Y251-A296 HydrophobicContact CE2-CB 4.03Å; Y267-A296 HydrophobicContact CE2-CB 4.13Å; Y267-A296 VanDerWaalsContact OH-CB 3.3Å; Y267-A296 WeakPolarHBondContact OH-CB 3.41Å; L293-A296 CarbonylContact O-C 3.58Å; L293-A296 PolarHBondContact O-N 3.33Å; L294-A296 VanDerWaalsContact C-N 3.29Å; L294-A296 PolarHBondContact O-N 3.45Å; A296-S300 VanDerWaalsContact O-CB 3.28Å; A296-S300 WeakPolarHBondContact O-CB 3.45Å; A296-S300 PolarHBondContact O-N 3.36Å; A296-S300 PolarHBondContact O-OG 2.8Å
297F96.1Very high90.9Very high0 Ų030.4 Ų30.40%015%0.152CC..Hα-helixtrans-72.2-39.6173-91.8-71.7000112.1L197 L200 L201 L204 M245 L293 L294 S300 T301 L310L197-F297 HydrophobicContact CD2-CE2 4.4Å; L197-F297 HydrophobicContact CD2-CZ 4.29Å; L200-F297 HydrophobicContact CB-CZ 4.41Å; L200-F297 HydrophobicContact CD2-CE1 4.17Å; L200-F297 HydrophobicContact CD2-CZ 4.18Å; L200-F297 HydrophobicContact CG-CE1 4.24Å; L200-F297 HydrophobicContact CG-CZ 4.23Å; L201-F297 HydrophobicContact CB-CE2 3.93Å; L201-F297 HydrophobicContact CB-CZ 3.91Å; L201-F297 HydrophobicContact CD1-CD1 4.28Å; L201-F297 HydrophobicContact CD1-CD2 4.15Å; L201-F297 HydrophobicContact CD1-CE1 4.43Å; L201-F297 HydrophobicContact CD1-CE2 4.3Å; L201-F297 HydrophobicContact CD1-CG 4.14Å; L201-F297 HydrophobicContact CD1-CZ 4.44Å; L201-F297 HydrophobicContact CD2-CD2 4.46Å; L201-F297 HydrophobicContact CD2-CE2 4.43Å; L201-F297 HydrophobicContact CG-CE2 4.45Å; L204-F297 HydrophobicContact CD1-CD1 4Å; L204-F297 HydrophobicContact CD1-CE1 3.64Å; M245-F297 HydrophobicContact CE-CB 4.01Å; M245-F297 HydrophobicContact CE-CD2 3.73Å; M245-F297 HydrophobicContact CE-CE2 4.45Å; M245-F297 HydrophobicContact CE-CG 3.99Å; L293-F297 HydrophobicContact CB-CD2 4.26Å; L293-F297 HydrophobicContact CB-CE2 4.47Å; L293-F297 VanDerWaalsContact O-CD2 3.3Å; L293-F297 WeakPolarHBondContact O-CD2 3.43Å; L293-F297 PolarHBondContact O-N 3.02Å; L294-F297 PolarHBondContact O-N 2.81Å; F297-S300 PolarHBondContact O-N 2.8Å; F297-T301 WeakPolarHBondContact O-CB 3.45Å; F297-T301 PolarHBondContact O-N 2.86Å; F297-T301 PolarHBondContact O-OG1 3.38Å; F297-L310 HydrophobicContact CD1-CD1 4.04Å; F297-L310 HydrophobicContact CE1-CD1 4.35Å
298I95Very high91.7Very high6 Ų626.4 Ų26.43%0.03113%0.129CC..Hα-helixtrans-63.9-47172.5-73.1173.3000109.9L294 D295 S300 T301 I302 F327 H334L294-I298 HydrophobicContact CD1-CD1 3.81Å; L294-I298 HydrophobicContact CD1-CG1 4.06Å; L294-I298 HydrophobicContact CG-CD1 4.18Å; L294-I298 PolarHBondContact O-N 3.05Å; D295-I298 PolarHBondContact O-N 2.76Å; I298-S300 PolarHBondContact O-N 3.18Å; I298-T301 WeakPolarHBondContact O-CB 3.4Å; I298-T301 PolarHBondContact O-N 3.16Å; I298-I302 HydrophobicContact CG2-CD1 3.89Å; I298-I302 WeakPolarHBondContact O-CG1 3.45Å; I298-I302 PolarHBondContact O-N 2.73Å; I298-F327 HydrophobicContact CD1-CD2 3.94Å; I298-F327 HydrophobicContact CD1-CE1 4.44Å; I298-F327 HydrophobicContact CD1-CE2 3.81Å; I298-F327 HydrophobicContact CD1-CG 4.27Å; I298-F327 HydrophobicContact CD1-CZ 4.08Å; I298-F327 HydrophobicContact CG1-CE2 3.99Å; I298-F327 HydrophobicContact CG1-CZ 4.29Å; I298-H334 HydrophobicContact CG2-CB 4.09Å
299F93.4Very high91.8Very high13 Ų1326.4 Ų26.46%0.05713%0.131CC..Hα-helixtrans-56.1-47.1173.8-175.5-96000112.6Y267 S270 V271 H290 D295 T301 I302 K303 H334Y267-F299 AromaticContact CD2-CD1 3.76Å; Y267-F299 HydrophobicContact CD2-CD1 3.76Å; Y267-F299 AromaticContact CD2-CE1 3.86Å; Y267-F299 HydrophobicContact CD2-CE1 3.86Å; Y267-F299 AromaticContact CE2-CD1 3.75Å; Y267-F299 HydrophobicContact CE2-CD1 3.75Å; Y267-F299 HydrophobicContact CE2-CE1 4.25Å; Y267-F299 HydrophobicContact CE2-CG 4.32Å; S270-F299 WeakPolarHBondContact O-CE2 3.42Å; S270-F299 VanDerWaalsContact O-CZ 3.22Å; S270-F299 WeakPolarHBondContact O-CZ 3.14Å; V271-F299 HydrophobicContact CB-CE2 4.45Å; V271-F299 HydrophobicContact CG2-CD1 4.17Å; V271-F299 HydrophobicContact CG2-CD2 3.89Å; V271-F299 HydrophobicContact CG2-CE1 4.04Å; V271-F299 HydrophobicContact CG2-CE2 3.76Å; V271-F299 HydrophobicContact CG2-CG 4.1Å; V271-F299 HydrophobicContact CG2-CZ 3.84Å; H290-F299 AromaticContact CE1-CD2 3.87Å; H290-F299 AromaticContact CE1-CG 3.82Å; D295-F299 WeakPolarHBondContact O-CB 3.4Å; D295-F299 PolarHBondContact O-N 3.29Å; F299-T301 VanDerWaalsContact C-N 3.34Å; F299-T301 PolarHBondContact O-N 3.46Å; F299-I302 PolarHBondContact O-N 2.73Å; F299-K303 HydrophobicContact CE1-CD 4.04Å; F299-K303 WeakPolarHBondContact O-CB 3.41Å; F299-K303 PolarHBondContact O-N 3.4Å; F299-H334 WeakPolarHBondContact CB-NE2 3.48Å; F299-H334 AromaticContact CD2-CD2 4Å; F299-H334 AromaticContact CD2-NE2 3.56Å; F299-H334 AromaticContact CG-NE2 3.98Å
300S91.7Very high91.9Very high5 Ų521.6 Ų21.64%0.03510%0.102CC..Hα-helixtrans-64.5-39177.8-58.30000111.5A296 F297 I298 I302 K303 L304A296-S300 VanDerWaalsContact O-CB 3.28Å; A296-S300 WeakPolarHBondContact O-CB 3.45Å; A296-S300 PolarHBondContact O-N 3.36Å; A296-S300 PolarHBondContact O-OG 2.8Å; F297-S300 PolarHBondContact O-N 2.8Å; I298-S300 PolarHBondContact O-N 3.18Å; S300-I302 VanDerWaalsContact C-N 3.31Å; S300-I302 PolarHBondContact O-N 3.18Å; S300-K303 PolarHBondContact O-N 3.02Å; S300-L304 VanDerWaalsContact O-CB 3.22Å; S300-L304 WeakPolarHBondContact O-CB 2.9Å; S300-L304 VanDerWaalsContact O-CG 3.25Å; S300-L304 WeakPolarHBondContact O-CG 3.4Å; S300-L304 PolarHBondContact O-N 2.81Å
301T92.1Very high91.7Very high4 Ų421 Ų213%0.02510%0.099CC..Hα-helixtrans-59.2-42173.7-57.30000111.1F297 I298 F299 L304 R305 F306 L310 V311 L314F297-T301 WeakPolarHBondContact O-CB 3.45Å; F297-T301 PolarHBondContact O-N 2.86Å; F297-T301 PolarHBondContact O-OG1 3.38Å; I298-T301 WeakPolarHBondContact O-CB 3.4Å; I298-T301 PolarHBondContact O-N 3.16Å; F299-T301 VanDerWaalsContact C-N 3.34Å; F299-T301 PolarHBondContact O-N 3.46Å; T301-L304 CarbonylContact O-C 3.59Å; T301-R305 PolarHBondContact O-N 3.3Å; T301-R305 VanDerWaalsContact O-N 3.09Å; T301-F306 HydrophobicContact CG2-CD1 3.79Å; T301-F306 HydrophobicContact CG2-CE1 4.22Å; T301-F306 HydrophobicContact CG2-CG 4.36Å; T301-F306 PolarHBondContact O-N 2.83Å; T301-L310 WeakPolarHBondContact OG1-CD2 3.43Å; T301-V311 HydrophobicContact CG2-CG2 3.83Å; T301-L314 WeakPolarHBondContact OG1-CD1 3.23Å
302I91Very high91.5Very high6 Ų617.3 Ų17.33%0.0318%0.083CC..Hα-helixtrans-71.2-44.6178.6-65.8163000111.3I298 F299 S300 L304 R305 F306 H334 I338 T341I298-I302 HydrophobicContact CG2-CD1 3.89Å; I298-I302 WeakPolarHBondContact O-CG1 3.45Å; I298-I302 PolarHBondContact O-N 2.73Å; F299-I302 PolarHBondContact O-N 2.73Å; S300-I302 VanDerWaalsContact C-N 3.31Å; S300-I302 PolarHBondContact O-N 3.18Å; I302-L304 VanDerWaalsContact C-N 3.29Å; I302-L304 PolarHBondContact O-N 2.81Å; I302-R305 WeakPolarHBondContact O-CA 3.41Å; I302-R305 PolarHBondContact O-N 3.47Å; I302-F306 HydrophobicContact CG1-CE1 4.35Å; I302-F306 HydrophobicContact CG1-CE2 4.14Å; I302-F306 HydrophobicContact CG1-CZ 3.67Å; I302-H334 HydrophobicContact CD1-CB 3.51Å; I302-I338 HydrophobicContact CD1-CD1 4.22Å; I302-I338 HydrophobicContact CD1-CG1 3.6Å; I302-I338 HydrophobicContact CG1-CG1 3.98Å; I302-T341 HydrophobicContact CG2-CG2 4.4Å; I302-T341 WeakPolarHBondContact CG2-OG1 3.32Å; I302-T341 WeakPolarHBondContact O-CG2 3.45Å
303K86.9Confident91.2Very high85 Ų8517.2 Ų17.237%0.378%0.082SC..Hα-helixtrans-62.7-37177.9-171.5169-177.1171.20112G208 F299 S300 R305G208-K303 VanDerWaalsContact O-CE 3.28Å; G208-K303 WeakPolarHBondContact O-CE 3.5Å; F299-K303 HydrophobicContact CE1-CD 4.04Å; F299-K303 WeakPolarHBondContact O-CB 3.41Å; F299-K303 PolarHBondContact O-N 3.4Å; S300-K303 PolarHBondContact O-N 3.02Å; K303-R305 PolarHBondContact O-N 3.32Å
304L85.8Confident91Very high34 Ų3417.3 Ų17.318%0.1788%0.083CC..THydrogen-bonded Turntrans-859.2172.7-62.1168.9000113.3L204 L214 F216 S300 T301 I302 F306 P307L204-L304 HydrophobicContact CD2-CD1 3.68Å; L214-L304 HydrophobicContact CD1-CD2 4.02Å; F216-L304 HydrophobicContact CZ-CD1 4.08Å; S300-L304 VanDerWaalsContact O-CB 3.22Å; S300-L304 WeakPolarHBondContact O-CB 2.9Å; S300-L304 VanDerWaalsContact O-CG 3.25Å; S300-L304 WeakPolarHBondContact O-CG 3.4Å; S300-L304 PolarHBondContact O-N 2.81Å; T301-L304 CarbonylContact O-C 3.59Å; I302-L304 VanDerWaalsContact C-N 3.29Å; I302-L304 PolarHBondContact O-N 2.81Å; L304-F306 PolarHBondContact O-N 3.32Å; L304-P307 HydrophobicContact CB-CG 4.11Å
305R87.4Confident90.7Very high85 Ų8517.5 Ų17.532%0.3218%0.084SC..THydrogen-bonded Turntrans55.447.5171.9-59.2166.9177.1161.5-2.4113.7T301 I302 K303 T341 S345 W354 M358T301-R305 PolarHBondContact O-N 3.3Å; T301-R305 VanDerWaalsContact O-N 3.09Å; I302-R305 WeakPolarHBondContact O-CA 3.41Å; I302-R305 PolarHBondContact O-N 3.47Å; K303-R305 PolarHBondContact O-N 3.32Å; R305-T341 HydrophobicContact CG-CG2 3.86Å; R305-S345 PolarHBondContact NE-OG 3.11Å; R305-W354 HydrophobicContact CB-CH2 3.49Å; R305-W354 VanDerWaalsContact CB-CH2 3.49Å; R305-W354 HydrophobicContact CB-CZ2 4.46Å; R305-W354 HydrophobicContact CB-CZ3 4.03Å; R305-W354 VanDerWaalsContact CD-CH2 3.44Å; R305-W354 HydrophobicContact CG-CH2 4.15Å; R305-M358 HydrophobicContact CB-SD 4.05Å
306F89.9Confident90.3Very high3 Ų317 Ų171%0.0138%0.082CC..  trans60.969.3173.6-60-91.3000114.6T301 I302 L304 V311 I338 M358 R361 I362 I365T301-F306 HydrophobicContact CG2-CD1 3.79Å; T301-F306 HydrophobicContact CG2-CE1 4.22Å; T301-F306 HydrophobicContact CG2-CG 4.36Å; T301-F306 PolarHBondContact O-N 2.83Å; I302-F306 HydrophobicContact CG1-CE1 4.35Å; I302-F306 HydrophobicContact CG1-CE2 4.14Å; I302-F306 HydrophobicContact CG1-CZ 3.67Å; L304-F306 PolarHBondContact O-N 3.32Å; F306-V311 HydrophobicContact CB-CG2 3.99Å; F306-V311 HydrophobicContact CD1-CG2 4Å; F306-I338 HydrophobicContact CE2-CG2 4.24Å; F306-I338 HydrophobicContact CZ-CD1 4.24Å; F306-I338 HydrophobicContact CZ-CG1 4.11Å; F306-I338 HydrophobicContact CZ-CG2 4Å; F306-M358 HydrophobicContact CB-CG 4.39Å; F306-M358 HydrophobicContact CD2-CG 3.98Å; F306-R361 HydrophobicContact CB-CB 4.11Å; F306-R361 WeakPolarHBondContact O-CD 3.48Å; F306-R361 PolarHBondContact O-NH1 3.35Å; F306-I362 HydrophobicContact CD1-CG1 3.95Å; F306-I362 HydrophobicContact CD2-CD1 3.86Å; F306-I362 HydrophobicContact CD2-CG1 3.63Å; F306-I362 HydrophobicContact CE1-CG1 3.85Å; F306-I362 HydrophobicContact CE2-CD1 3.65Å; F306-I362 HydrophobicContact CE2-CG1 3.54Å; F306-I362 HydrophobicContact CG-CG1 3.85Å; F306-I362 HydrophobicContact CZ-CD1 4.16Å; F306-I362 HydrophobicContact CZ-CG1 3.64Å; F306-I365 HydrophobicContact CD1-CD1 3.88Å; F306-I365 HydrophobicContact CE1-CD1 3.79Å
307P86.7Confident90.2Very high12 Ų1217 Ų178%0.0788%0.082CC..  trans-70.2137.217226.4-29.8000112.1F216 L304 S309 L310 V311F216-P307 HydrophobicContact CD2-CB 3.45Å; F216-P307 VanDerWaalsContact CD2-CB 3.45Å; F216-P307 HydrophobicContact CD2-CG 4.22Å; F216-P307 HydrophobicContact CE2-CB 3.57Å; F216-P307 HydrophobicContact CE2-CG 3.88Å; F216-P307 HydrophobicContact CG-CB 4.17Å; F216-P307 HydrophobicContact CZ-CB 4.38Å; F216-P307 HydrophobicContact CZ-CG 4.28Å; L304-P307 HydrophobicContact CB-CG 4.11Å; P307-S309 PolarHBondContact O-N 3.45Å; P307-L310 HydrophobicContact CG-CB 4.04Å; P307-L310 HydrophobicContact CG-CD2 4.32Å; P307-L310 PolarHBondContact O-N 3.41Å; P307-V311 WeakPolarHBondContact O-CG2 3.46Å; P307-V311 PolarHBondContact O-N 3.4Å
308E85.3Confident89.9Confident54 Ų5417.4 Ų17.425%0.2528%0.084SC..Hα-helixtrans-63.9-40.7-164.2-162.5154.8139.100114.5T108 T312 R361T108-E308 VanDerWaalsContact CB-OE1 3.3Å; T108-E308 WeakPolarHBondContact CB-OE1 3.36Å; T108-E308 HydrophobicContact CG2-CG 4.12Å; T108-E308 VanDerWaalsContact CG2-OE1 3.27Å; T108-E308 WeakPolarHBondContact CG2-OE1 3.4Å; E308-T312 HydrophobicContact CG-CG2 4.47Å; E308-T312 WeakPolarHBondContact O-CB 3.44Å; E308-T312 WeakPolarHBondContact O-CG2 3.27Å; E308-T312 PolarHBondContact O-N 3.34Å; E308-T312 PolarHBondContact O-OG1 2.69Å; E308-R361 IonicContact OE2-CZ 2.93Å; E308-R361 VanDerWaalsContact OE2-CZ 3.26Å; E308-R361 IonicContact OE2-NE 3.5Å; E308-R361 PolarHBondContact OE2-NE 3.45Å; E308-R361 IonicContact OE2-NH2 3.42Å; E308-R361 PolarHBondContact OE2-NH2 3.1Å
309S86.6Confident89.4Confident21 Ų2117.8 Ų17.815%0.1479%0.088CC..Hα-helixtrans-67.8-37.2179.761.70000112.3F216 H228 P307 T312 F313F216-S309 VanDerWaalsContact CB-OG 3.23Å; F216-S309 WeakPolarHBondContact CB-OG 3.32Å; H228-S309 PolarHBondContact NE2-O 3.38Å; P307-S309 PolarHBondContact O-N 3.45Å; S309-T312 WeakPolarHBondContact CA-OG1 3.23Å; S309-T312 PolarHBondContact O-OG1 3.15Å; S309-F313 VanDerWaalsContact O-CB 3.23Å; S309-F313 WeakPolarHBondContact O-CB 3.38Å; S309-F313 PolarHBondContact O-N 3.48Å
310L89.9Confident89.2Confident1 Ų117.3 Ų17.31%0.0059%0.086CC..Hα-helixtrans-72.9-42177.5-171.157.2000110.9L204 F297 T301 P307 F313 L314L204-L310 HydrophobicContact CD1-CD2 4.44Å; F297-L310 HydrophobicContact CD1-CD1 4.04Å; F297-L310 HydrophobicContact CE1-CD1 4.35Å; T301-L310 WeakPolarHBondContact OG1-CD2 3.43Å; P307-L310 HydrophobicContact CG-CB 4.04Å; P307-L310 HydrophobicContact CG-CD2 4.32Å; P307-L310 PolarHBondContact O-N 3.41Å; L310-F313 HydrophobicContact CD1-CD1 4.38Å; L310-F313 PolarHBondContact O-N 2.65Å; L310-L314 HydrophobicContact CD1-CD1 4.46Å; L310-L314 HydrophobicContact CD1-CG 4.49Å; L310-L314 HydrophobicContact CG-CD1 4.16Å; L310-L314 WeakPolarHBondContact O-CB 3.28Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.4Å; L310-L314 PolarHBondContact O-N 3.25Å
311V91.1Very high88.9Confident1 Ų121.4 Ų21.41%0.00610%0.104CC..Hα-helixtrans-61.5-47.1175.1170.70000111.4T301 F306 P307 L314 I315 R361 I365T301-V311 HydrophobicContact CG2-CG2 3.83Å; F306-V311 HydrophobicContact CB-CG2 3.99Å; F306-V311 HydrophobicContact CD1-CG2 4Å; P307-V311 WeakPolarHBondContact O-CG2 3.46Å; P307-V311 PolarHBondContact O-N 3.4Å; V311-L314 PolarHBondContact O-N 3.37Å; V311-I315 HydrophobicContact CG1-CD1 3.66Å; V311-I315 HydrophobicContact CG1-CG1 4.36Å; V311-I315 VanDerWaalsContact O-CG1 3.27Å; V311-I315 WeakPolarHBondContact O-CG1 3.1Å; V311-I315 PolarHBondContact O-N 3.48Å; V311-R361 HydrophobicContact CG1-CB 4.26Å; V311-R361 HydrophobicContact CG2-CB 4.44Å; V311-I365 HydrophobicContact CG1-CD1 4.05Å; V311-I365 HydrophobicContact CG1-CG1 3.88Å; V311-I365 HydrophobicContact CG2-CD1 4.35Å
312T89Confident88.9Confident16 Ų1625.9 Ų25.910%0.09813%0.125CC..Hα-helixtrans-67.6-35.2179.348.70000112.9V106 T108 H228 E308 S309 G316V106-T312 HydrophobicContact CG1-CG2 3.87Å; T108-T312 HydrophobicContact CG2-CG2 4.07Å; H228-T312 PolarHBondContact CE1-OG1 3.34Å; E308-T312 HydrophobicContact CG-CG2 4.47Å; E308-T312 WeakPolarHBondContact O-CB 3.44Å; E308-T312 WeakPolarHBondContact O-CG2 3.27Å; E308-T312 PolarHBondContact O-N 3.34Å; E308-T312 PolarHBondContact O-OG1 2.69Å; S309-T312 WeakPolarHBondContact CA-OG1 3.23Å; S309-T312 PolarHBondContact O-OG1 3.15Å; T312-G316 PolarHBondContact O-N 3.07Å
313F91Very high89.1Confident2 Ų225.6 Ų25.61%0.00912%0.124CC..Hα-helixtrans-61.9-49.7171.7174-113.6000111.9L227 H228 I241 M245 S309 L310 G316 L317L227-F313 HydrophobicContact CB-CD2 4.23Å; L227-F313 HydrophobicContact CB-CE2 3.67Å; L227-F313 HydrophobicContact CB-CZ 3.95Å; L227-F313 HydrophobicContact CD1-CE1 4.49Å; L227-F313 HydrophobicContact CD1-CZ 4.16Å; L227-F313 HydrophobicContact CD2-CZ 4.22Å; L227-F313 HydrophobicContact CG-CZ 4.34Å; H228-F313 PolarHBondContact CE1-N 3.05Å; I241-F313 HydrophobicContact CD1-CE2 4.21Å; I241-F313 HydrophobicContact CD1-CZ 4.47Å; I241-F313 HydrophobicContact CG2-CE1 4.46Å; I241-F313 HydrophobicContact CG2-CE2 4.19Å; I241-F313 HydrophobicContact CG2-CZ 3.58Å; M245-F313 HydrophobicContact SD-CE1 4.24Å; S309-F313 VanDerWaalsContact O-CB 3.23Å; S309-F313 WeakPolarHBondContact O-CB 3.38Å; S309-F313 PolarHBondContact O-N 3.48Å; L310-F313 HydrophobicContact CD1-CD1 4.38Å; L310-F313 PolarHBondContact O-N 2.65Å; F313-G316 PolarHBondContact O-N 3.33Å; F313-L317 HydrophobicContact CE1-CD1 4.11Å; F313-L317 HydrophobicContact CE2-CD1 4.38Å; F313-L317 HydrophobicContact CZ-CD1 4.04Å; F313-L317 PolarHBondContact O-N 3.37Å
314L93.7Very high89.3Confident2 Ų222.5 Ų22.51%0.0111%0.11CC..Hα-helixtrans-63.2-46.1179.9-73.2172.6000112.5M245 L294 T301 L310 V311 G316 L317 F323 F327M245-L314 HydrophobicContact CE-CD2 3.72Å; L294-L314 HydrophobicContact CD1-CD2 4.42Å; T301-L314 WeakPolarHBondContact OG1-CD1 3.23Å; L310-L314 HydrophobicContact CD1-CD1 4.46Å; L310-L314 HydrophobicContact CD1-CG 4.49Å; L310-L314 HydrophobicContact CG-CD1 4.16Å; L310-L314 WeakPolarHBondContact O-CB 3.28Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.4Å; L310-L314 PolarHBondContact O-N 3.25Å; V311-L314 PolarHBondContact O-N 3.37Å; L314-G316 VanDerWaalsContact C-N 3.25Å; L314-G316 PolarHBondContact O-N 3.37Å; L314-L317 PolarHBondContact O-N 2.95Å; L314-F323 HydrophobicContact CD2-CZ 4.24Å; L314-F327 HydrophobicContact CB-CE2 3.94Å; L314-F327 HydrophobicContact CD1-CE2 4.39Å; L314-F327 HydrophobicContact CD2-CE2 4.29Å; L314-F327 HydrophobicContact CG-CE2 4.43Å
315I90.6Very high89.5Confident5 Ų523 Ų233%0.02611%0.112CC..Hα-helixtrans-60.9-38.1175-65.4169.9000110.3V106 A152 V311 L317 L318 H364 I365 Q368V106-I315 HydrophobicContact CG1-CB 4.48Å; V106-I315 HydrophobicContact CG1-CG2 4.27Å; V106-I315 HydrophobicContact CG2-CB 4.13Å; V106-I315 HydrophobicContact CG2-CG2 3.68Å; A152-I315 HydrophobicContact CB-CG2 4.44Å; V311-I315 HydrophobicContact CG1-CD1 3.66Å; V311-I315 HydrophobicContact CG1-CG1 4.36Å; V311-I315 VanDerWaalsContact O-CG1 3.27Å; V311-I315 WeakPolarHBondContact O-CG1 3.1Å; V311-I315 PolarHBondContact O-N 3.48Å; I315-L317 PolarHBondContact O-N 3.06Å; I315-L317 VanDerWaalsContact O-N 3.17Å; I315-L318 HydrophobicContact CB-CD1 4.45Å; I315-L318 HydrophobicContact CG2-CD1 4.24Å; I315-L318 VanDerWaalsContact O-CB 3.32Å; I315-L318 WeakPolarHBondContact O-CB 3.41Å; I315-L318 WeakPolarHBondContact O-CG 3.26Å; I315-L318 PolarHBondContact O-N 3.42Å; I315-H364 HydrophobicContact CD1-CB 4.25Å; I315-I365 HydrophobicContact CD1-CB 4.48Å; I315-I365 HydrophobicContact CD1-CG1 3.79Å; I315-I365 HydrophobicContact CG1-CG1 3.9Å; I315-Q368 HydrophobicContact CG2-CG 4.13Å
316G88.4Confident89.8Confident2 Ų223 Ų232%0.02112%0.115CC..Hα-helixtrans-61.3-23.8179.200000114.2H231 T312 F313 L314H231-G316 VanDerWaalsContact NE2-CA 3.33Å; H231-G316 WeakPolarHBondContact NE2-CA 3.37Å; H231-G316 PolarHBondContact NE2-O 2.93Å; T312-G316 PolarHBondContact O-N 3.07Å; F313-G316 PolarHBondContact O-N 3.33Å; L314-G316 VanDerWaalsContact C-N 3.25Å; L314-G316 PolarHBondContact O-N 3.37Å
317L92.5Very high90.1Very high0 Ų023 Ų230%012%0.115CC..G310 helixtrans-84.3-12.1177.5-65.1168.1000113.2Q238 I241 M245 F313 L314 I315 A319 V320 F323Q238-L317 HydrophobicContact CB-CD2 4.27Å; I241-L317 HydrophobicContact CB-CD2 4.04Å; I241-L317 HydrophobicContact CG2-CD1 3.62Å; I241-L317 HydrophobicContact CG2-CD2 3.78Å; I241-L317 HydrophobicContact CG2-CG 4.35Å; M245-L317 HydrophobicContact SD-CD1 3.84Å; F313-L317 HydrophobicContact CE1-CD1 4.11Å; F313-L317 HydrophobicContact CE2-CD1 4.38Å; F313-L317 HydrophobicContact CZ-CD1 4.04Å; F313-L317 PolarHBondContact O-N 3.37Å; L314-L317 PolarHBondContact O-N 2.95Å; I315-L317 PolarHBondContact O-N 3.06Å; I315-L317 VanDerWaalsContact O-N 3.17Å; L317-A319 PolarHBondContact O-N 3.03Å; L317-V320 WeakPolarHBondContact O-CB 3.47Å; L317-V320 PolarHBondContact O-N 2.91Å; L317-F323 HydrophobicContact CB-CD1 3.58Å; L317-F323 HydrophobicContact CB-CD2 4.45Å; L317-F323 HydrophobicContact CB-CE1 3.39Å; L317-F323 HydrophobicContact CB-CE2 4.28Å; L317-F323 HydrophobicContact CB-CG 4.12Å; L317-F323 HydrophobicContact CB-CZ 3.76Å; L317-F323 HydrophobicContact CD1-CE1 4.3Å; L317-F323 HydrophobicContact CD1-CE2 4.02Å; L317-F323 HydrophobicContact CD1-CZ 3.78Å; L317-F323 HydrophobicContact CG-CE1 4.5Å; L317-F323 HydrophobicContact CG-CZ 4.44Å
318L90Very high90.4Very high9 Ų922.4 Ų22.45%0.04711%0.111CC..G310 helixtrans-66.2-5.1177.8-57.3176.4000114I315 F323 K324 F327 Q368 L369I315-L318 HydrophobicContact CB-CD1 4.45Å; I315-L318 HydrophobicContact CG2-CD1 4.24Å; I315-L318 VanDerWaalsContact O-CB 3.32Å; I315-L318 WeakPolarHBondContact O-CB 3.41Å; I315-L318 WeakPolarHBondContact O-CG 3.26Å; I315-L318 PolarHBondContact O-N 3.42Å; L318-F323 HydrophobicContact CD2-CD1 4.11Å; L318-F323 HydrophobicContact CD2-CE1 4.12Å; L318-K324 HydrophobicContact CB-CG 4.48Å; L318-K324 HydrophobicContact CD2-CB 4.42Å; L318-K324 HydrophobicContact CD2-CG 4.26Å; L318-F327 HydrophobicContact CD2-CB 3.84Å; L318-F327 HydrophobicContact CD2-CD1 3.89Å; L318-F327 HydrophobicContact CD2-CD2 4.12Å; L318-F327 HydrophobicContact CD2-CG 3.66Å; L318-Q368 HydrophobicContact CD1-CB 3.99Å; L318-L369 HydrophobicContact CD1-CD2 4.22Å; L318-L369 HydrophobicContact CD2-CD2 4.34Å
319A83.8Confident90.7Very high14 Ų1421.8 Ų21.812%0.11611%0.109CC..G310 helixtrans-73.9-13.2167.600000113.2R102 L317R102-A319 HydrophobicContact CB-CB 4.5Å; L317-A319 PolarHBondContact O-N 3.03Å
320V89.2Confident91Very high2 Ų221 Ų211%0.01210%0.103CC..SBendtrans-94.2113.9170.7179.40000108.1Q238 K239 A242 L317 E322 F323 K324Q238-V320 HydrophobicContact CB-CG2 4.18Å; K239-V320 HydrophobicContact CD-CG1 3.73Å; A242-V320 HydrophobicContact CB-CB 4.18Å; A242-V320 HydrophobicContact CB-CG1 3.87Å; A242-V320 HydrophobicContact CB-CG2 4.29Å; L317-V320 WeakPolarHBondContact O-CB 3.47Å; L317-V320 PolarHBondContact O-N 2.91Å; V320-E322 WeakPolarHBondContact CG1-OE2 3.41Å; V320-E322 PolarHBondContact O-N 3.02Å; V320-F323 HydrophobicContact CB-CB 4.06Å; V320-F323 HydrophobicContact CG1-CB 4.15Å; V320-F323 WeakPolarHBondContact O-CB 3.38Å; V320-F323 PolarHBondContact O-N 3.23Å; V320-K324 PolarHBondContact O-N 3.33Å
321E86Confident91.2Very high91 Ų9121 Ų2143%0.42510%0.103SC..Hα-helixtrans-63.4-38.9-169.5-159.869.8-144.400112.9R102 F323 K324 E325R102-E321 IonicContact CZ-OE2 3.95Å; R102-E321 IonicContact NH1-OE2 2.74Å; R102-E321 PolarHBondContact NH1-OE2 2.99Å; E321-F323 VanDerWaalsContact C-N 3.29Å; E321-F323 PolarHBondContact O-N 2.92Å; E321-K324 WeakPolarHBondContact O-CB 3.49Å; E321-K324 PolarHBondContact O-N 2.99Å; E321-K324 VanDerWaalsContact O-N 3.12Å; E321-E325 PolarHBondContact O-N 3.28Å; E321-E325 VanDerWaalsContact O-N 3.09Å
322E91.5Very high91.1Very high99 Ų9921.4 Ų21.446%0.46311%0.105SC..Hα-helixtrans-68.9-31.8-179.8-45.599.3134.800111.6K239 I246 V320 E326K239-E322 IonicContact NZ-OE1 2.78Å; K239-E322 PolarHBondContact NZ-OE1 3.31Å; K239-E322 IonicContact NZ-OE2 4Å; K239-E322 PolarHBondContact NZ-OE2 3.31Å; I246-E322 HydrophobicContact CD1-CB 4.45Å; V320-E322 WeakPolarHBondContact CG1-OE2 3.41Å; V320-E322 PolarHBondContact O-N 3.02Å; E322-E326 PolarHBondContact O-N 3.36Å
323F94.9Very high91.1Very high0 Ų022.9 Ų22.90%011%0.112CC..Hα-helixtrans-70.1-38.9170.8-176.3-91.1000111.5A242 M245 I246 L294 L314 L317 L318 V320 E321 E325 E326 F327A242-F323 HydrophobicContact CB-CB 3.78Å; A242-F323 HydrophobicContact CB-CD2 3.85Å; A242-F323 HydrophobicContact CB-CG 4.07Å; M245-F323 HydrophobicContact CB-CE2 4.06Å; M245-F323 HydrophobicContact CE-CE2 4.2Å; M245-F323 HydrophobicContact CE-CZ 4.42Å; M245-F323 HydrophobicContact SD-CE2 4.03Å; I246-F323 HydrophobicContact CG2-CD2 4.16Å; L294-F323 HydrophobicContact CD1-CE2 3.87Å; L294-F323 HydrophobicContact CD1-CZ 3.74Å; L294-F323 HydrophobicContact CD2-CD2 4.25Å; L294-F323 HydrophobicContact CD2-CE2 3.98Å; L294-F323 HydrophobicContact CD2-CZ 4.37Å; L294-F323 HydrophobicContact CG-CE2 4.45Å; L314-F323 HydrophobicContact CD2-CZ 4.24Å; L317-F323 HydrophobicContact CB-CD1 3.58Å; L317-F323 HydrophobicContact CB-CD2 4.45Å; L317-F323 HydrophobicContact CB-CE1 3.39Å; L317-F323 HydrophobicContact CB-CE2 4.28Å; L317-F323 HydrophobicContact CB-CG 4.12Å; L317-F323 HydrophobicContact CB-CZ 3.76Å; L317-F323 HydrophobicContact CD1-CE1 4.3Å; L317-F323 HydrophobicContact CD1-CE2 4.02Å; L317-F323 HydrophobicContact CD1-CZ 3.78Å; L317-F323 HydrophobicContact CG-CE1 4.5Å; L317-F323 HydrophobicContact CG-CZ 4.44Å; L318-F323 HydrophobicContact CD2-CD1 4.11Å; L318-F323 HydrophobicContact CD2-CE1 4.12Å; V320-F323 HydrophobicContact CB-CB 4.06Å; V320-F323 HydrophobicContact CG1-CB 4.15Å; V320-F323 WeakPolarHBondContact O-CB 3.38Å; V320-F323 PolarHBondContact O-N 3.23Å; E321-F323 VanDerWaalsContact C-N 3.29Å; E321-F323 PolarHBondContact O-N 2.92Å; F323-E325 VanDerWaalsContact C-N 3.32Å; F323-E325 PolarHBondContact O-N 2.67Å; F323-E326 PolarHBondContact O-N 3.41Å; F323-F327 HydrophobicContact CD1-CB 4.32Å; F323-F327 HydrophobicContact CE1-CB 4.18Å; F323-F327 AromaticContact CE1-CD2 3.63Å; F323-F327 HydrophobicContact CE1-CD2 3.63Å; F323-F327 HydrophobicContact CE1-CG 4.26Å; F323-F327 AromaticContact CZ-CD2 3.9Å; F323-F327 HydrophobicContact CZ-CD2 3.9Å; F323-F327 WeakPolarHBondContact O-CB 3.49Å; F323-F327 PolarHBondContact O-N 2.84Å
324K91.8Very high91.1Very high19 Ų1922.8 Ų22.88%0.08311%0.112CC..Hα-helixtrans-60.8-40.1178.5-169.6175.1-173.4173.20111.9L318 V320 E321 I328 Q368 L375L318-K324 HydrophobicContact CB-CG 4.48Å; L318-K324 HydrophobicContact CD2-CB 4.42Å; L318-K324 HydrophobicContact CD2-CG 4.26Å; V320-K324 PolarHBondContact O-N 3.33Å; E321-K324 WeakPolarHBondContact O-CB 3.49Å; E321-K324 PolarHBondContact O-N 2.99Å; E321-K324 VanDerWaalsContact O-N 3.12Å; K324-I328 PolarHBondContact O-N 3.39Å; K324-Q368 WeakPolarHBondContact CE-O 3.36Å; K324-Q368 PolarHBondContact NZ-O 3.24Å; K324-L375 HydrophobicContact CD-CD2 4.45Å
325E90.9Very high91Very high46 Ų4622.7 Ų22.722%0.21511%0.111CC..Hα-helixtrans-69.8-46.6178.5-162.269.3-171.700112.4E321 F323 F327 I328 Q329 R378E321-E325 PolarHBondContact O-N 3.28Å; E321-E325 VanDerWaalsContact O-N 3.09Å; F323-E325 VanDerWaalsContact C-N 3.32Å; F323-E325 PolarHBondContact O-N 2.67Å; E325-F327 VanDerWaalsContact C-N 3.33Å; E325-F327 PolarHBondContact O-N 2.69Å; E325-I328 VanDerWaalsContact O-CG2 3.26Å; E325-I328 WeakPolarHBondContact O-CG2 3.48Å; E325-I328 PolarHBondContact O-N 2.98Å; E325-Q329 WeakPolarHBondContact O-CG 3.47Å; E325-Q329 PolarHBondContact O-N 3.05Å; E325-R378 IonicContact OE1-CZ 3.6Å; E325-R378 IonicContact OE1-NH1 3.18Å; E325-R378 PolarHBondContact OE1-NH1 2.99Å; E325-R378 IonicContact OE2-CZ 3.36Å; E325-R378 IonicContact OE2-NH1 2.72Å; E325-R378 PolarHBondContact OE2-NH1 3.19Å
326E94.1Very high90.7Very high84 Ų8423.7 Ų23.739%0.39312%0.118SC..Hα-helixtrans-67.1-35.8175.6-67.1-63.8154.200111.6I246 L294 E322 F323 Q329 S330I246-E326 HydrophobicContact CB-CG 4.39Å; I246-E326 HydrophobicContact CG2-CB 3.86Å; I246-E326 HydrophobicContact CG2-CG 4.08Å; L294-E326 HydrophobicContact CD2-CB 3.97Å; E322-E326 PolarHBondContact O-N 3.36Å; F323-E326 PolarHBondContact O-N 3.41Å; E326-Q329 PolarHBondContact O-N 2.75Å; E326-S330 WeakPolarHBondContact O-CB 3.21Å; E326-S330 PolarHBondContact O-N 3.07Å
327F95.5Very high90.7Very high2 Ų224.7 Ų24.71%0.00912%0.121CC..Hα-helixtrans-61.8-46.8175.9-170.8-75.5000111.5L294 I298 L314 L318 F323 E325 S330 Y331 I365 L369L294-F327 HydrophobicContact CD1-CD2 3.76Å; L294-F327 HydrophobicContact CD1-CE2 4.29Å; L294-F327 HydrophobicContact CD2-CB 4.25Å; I298-F327 HydrophobicContact CD1-CD2 3.94Å; I298-F327 HydrophobicContact CD1-CE1 4.44Å; I298-F327 HydrophobicContact CD1-CE2 3.81Å; I298-F327 HydrophobicContact CD1-CG 4.27Å; I298-F327 HydrophobicContact CD1-CZ 4.08Å; I298-F327 HydrophobicContact CG1-CE2 3.99Å; I298-F327 HydrophobicContact CG1-CZ 4.29Å; L314-F327 HydrophobicContact CB-CE2 3.94Å; L314-F327 HydrophobicContact CD1-CE2 4.39Å; L314-F327 HydrophobicContact CD2-CE2 4.29Å; L314-F327 HydrophobicContact CG-CE2 4.43Å; L318-F327 HydrophobicContact CD2-CB 3.84Å; L318-F327 HydrophobicContact CD2-CD1 3.89Å; L318-F327 HydrophobicContact CD2-CD2 4.12Å; L318-F327 HydrophobicContact CD2-CG 3.66Å; F323-F327 HydrophobicContact CD1-CB 4.32Å; F323-F327 HydrophobicContact CE1-CB 4.18Å; F323-F327 AromaticContact CE1-CD2 3.63Å; F323-F327 HydrophobicContact CE1-CD2 3.63Å; F323-F327 HydrophobicContact CE1-CG 4.26Å; F323-F327 AromaticContact CZ-CD2 3.9Å; F323-F327 HydrophobicContact CZ-CD2 3.9Å; F323-F327 WeakPolarHBondContact O-CB 3.49Å; F323-F327 PolarHBondContact O-N 2.84Å; E325-F327 VanDerWaalsContact C-N 3.33Å; E325-F327 PolarHBondContact O-N 2.69Å; F327-S330 PolarHBondContact O-N 3.22Å; F327-Y331 AromaticContact CE1-CD2 3.98Å; F327-Y331 HydrophobicContact CE1-CD2 3.98Å; F327-Y331 HydrophobicContact CE1-CG 4.21Å; F327-Y331 HydrophobicContact CZ-CD2 4.42Å; F327-Y331 WeakPolarHBondContact O-CB 3.41Å; F327-Y331 PolarHBondContact O-N 2.85Å; F327-I365 HydrophobicContact CE1-CG2 3.57Å; F327-I365 HydrophobicContact CZ-CG2 3.93Å; F327-L369 HydrophobicContact CD1-CD1 4.12Å; F327-L369 HydrophobicContact CD1-CD2 4.15Å; F327-L369 HydrophobicContact CE1-CD1 4.06Å
328I92.9Very high90.6Very high0 Ų024.7 Ų24.70%012%0.121CC..Hα-helixtrans-66.9-39.3-178.9-162.2163.8000111.4K324 E325 L332 L369 F370 L375 V379K324-I328 PolarHBondContact O-N 3.39Å; E325-I328 VanDerWaalsContact O-CG2 3.26Å; E325-I328 WeakPolarHBondContact O-CG2 3.48Å; E325-I328 PolarHBondContact O-N 2.98Å; I328-L332 HydrophobicContact CG1-CD1 4.08Å; I328-L332 HydrophobicContact CG1-CG 4.47Å; I328-L332 VanDerWaalsContact O-CB 3.32Å; I328-L332 WeakPolarHBondContact O-CB 3.43Å; I328-L332 WeakPolarHBondContact O-CD1 3.33Å; I328-L332 WeakPolarHBondContact O-CG 3.27Å; I328-L332 PolarHBondContact O-N 2.7Å; I328-L369 HydrophobicContact CB-CD2 4.2Å; I328-L369 HydrophobicContact CD1-CB 3.81Å; I328-L369 HydrophobicContact CD1-CD2 4.26Å; I328-L369 HydrophobicContact CD1-CG 4.43Å; I328-L369 HydrophobicContact CG1-CB 4.32Å; I328-L369 HydrophobicContact CG1-CD1 4.22Å; I328-L369 HydrophobicContact CG1-CD2 4.33Å; I328-F370 HydrophobicContact CD1-CD1 4.36Å; I328-F370 HydrophobicContact CD1-CE1 4.01Å; I328-F370 HydrophobicContact CG1-CE1 4.34Å; I328-L375 HydrophobicContact CD1-CD1 4.01Å; I328-L375 HydrophobicContact CD1-CD2 3.79Å; I328-L375 HydrophobicContact CD1-CG 3.69Å; I328-L375 HydrophobicContact CG2-CD1 4.39Å; I328-V379 HydrophobicContact CD1-CG2 3.6Å; I328-V379 HydrophobicContact CG1-CG2 4.03Å
329Q90.7Very high90.5Very high42 Ų4224.3 Ų24.320%0.19612%0.119CC..Hα-helixtrans-63.8-44.7175.9-63.2-62.4-1400111.6E325 E326 L332 N333 R383E325-Q329 WeakPolarHBondContact O-CG 3.47Å; E325-Q329 PolarHBondContact O-N 3.05Å; E326-Q329 PolarHBondContact O-N 2.75Å; Q329-L332 PolarHBondContact O-N 3.11Å; Q329-N333 PolarHBondContact O-N 3.25Å; Q329-N333 PolarHBondContact O-ND2 2.93Å; Q329-N333 PolarHBondContact O-OD1 3.22Å; Q329-N333 VanDerWaalsContact O-OD1 3.04Å; Q329-R383 PolarHBondContact O-NH1 3.02Å
330S93.1Very high90.6Very high3 Ų324.7 Ų24.72%0.02112%0.12CC..Hα-helixtrans-70.4-38.3179.9-170.50000113.2D295 E326 F327 L332 N333 H334D295-S330 WeakPolarHBondContact CA-OG 3.36Å; D295-S330 VanDerWaalsContact OD1-CB 3.29Å; D295-S330 WeakPolarHBondContact OD1-CB 3.33Å; D295-S330 PolarHBondContact OD1-OG 3.47Å; E326-S330 WeakPolarHBondContact O-CB 3.21Å; E326-S330 PolarHBondContact O-N 3.07Å; F327-S330 PolarHBondContact O-N 3.22Å; S330-L332 VanDerWaalsContact C-N 3.33Å; S330-L332 PolarHBondContact O-N 3.19Å; S330-N333 WeakPolarHBondContact O-CB 3.37Å; S330-N333 PolarHBondContact O-N 3.47Å; S330-H334 PolarHBondContact O-N 2.9Å; S330-H334 PolarHBondContact O-ND1 2.96Å
331Y93.8Very high90.5Very high2 Ų225.8 Ų25.81%0.00813%0.127CC..Hα-helixtrans-61.7-41.1172.9-176.1-95.6000111.6F327 H334 Y335 I338 I365 L369 F370F327-Y331 AromaticContact CE1-CD2 3.98Å; F327-Y331 HydrophobicContact CE1-CD2 3.98Å; F327-Y331 HydrophobicContact CE1-CG 4.21Å; F327-Y331 HydrophobicContact CZ-CD2 4.42Å; F327-Y331 WeakPolarHBondContact O-CB 3.41Å; F327-Y331 PolarHBondContact O-N 2.85Å; Y331-H334 CarbonylContact O-C 3.58Å; Y331-H334 PolarHBondContact O-N 3.07Å; Y331-Y335 HydrophobicContact CD1-CD2 4.23Å; Y331-Y335 AromaticContact CE1-CD2 3.76Å; Y331-Y335 HydrophobicContact CE1-CD2 3.76Å; Y331-Y335 AromaticContact CE1-CE2 3.89Å; Y331-Y335 HydrophobicContact CE1-CE2 3.89Å; Y331-Y335 PolarHBondContact O-N 3.3Å; Y331-Y335 VanDerWaalsContact O-N 3.13Å; Y331-I338 HydrophobicContact CD2-CD1 3.96Å; Y331-I338 HydrophobicContact CE1-CD1 4.14Å; Y331-I338 HydrophobicContact CE2-CD1 3.49Å; Y331-I338 VanDerWaalsContact CE2-CD1 3.49Å; Y331-I338 HydrophobicContact CG-CD1 4.47Å; Y331-I365 HydrophobicContact CD2-CG2 3.93Å; Y331-I365 HydrophobicContact CE2-CB 4.17Å; Y331-I365 HydrophobicContact CE2-CD1 4.17Å; Y331-I365 HydrophobicContact CE2-CG2 3.56Å; Y331-L369 HydrophobicContact CD1-CD1 3.83Å; Y331-L369 HydrophobicContact CE1-CD1 4.22Å; Y331-L369 HydrophobicContact CG-CD1 4.09Å; Y331-F370 HydrophobicContact CE1-CZ 4.43Å
332L90.9Very high90.5Very high9 Ų921.5 Ų21.55%0.04711%0.107CC..Hα-helixtrans-67.8-39.7175.4-71.6171.3000112.8I328 Q329 S330 H334 Y335 F370 V379 R383 L385I328-L332 HydrophobicContact CG1-CD1 4.08Å; I328-L332 HydrophobicContact CG1-CG 4.47Å; I328-L332 VanDerWaalsContact O-CB 3.32Å; I328-L332 WeakPolarHBondContact O-CB 3.43Å; I328-L332 WeakPolarHBondContact O-CD1 3.33Å; I328-L332 WeakPolarHBondContact O-CG 3.27Å; I328-L332 PolarHBondContact O-N 2.7Å; Q329-L332 PolarHBondContact O-N 3.11Å; S330-L332 VanDerWaalsContact C-N 3.33Å; S330-L332 PolarHBondContact O-N 3.19Å; L332-H334 PolarHBondContact O-N 3.01Å; L332-H334 VanDerWaalsContact O-N 3.17Å; L332-Y335 WeakPolarHBondContact O-CB 3.28Å; L332-Y335 PolarHBondContact O-N 3.41Å; L332-Y335 VanDerWaalsContact O-N 3.14Å; L332-F370 HydrophobicContact CD2-CZ 4.17Å; L332-V379 HydrophobicContact CD1-CB 4.32Å; L332-V379 HydrophobicContact CD1-CG1 3.55Å; L332-V379 HydrophobicContact CD1-CG2 3.83Å; L332-V379 HydrophobicContact CD2-CG1 4.24Å; L332-R383 HydrophobicContact CD1-CB 4.27Å; L332-R383 HydrophobicContact CD1-CG 3.99Å; L332-L385 HydrophobicContact CD2-CD1 3.78Å; L332-L385 HydrophobicContact CD2-CD2 4.22Å; L332-L385 HydrophobicContact CD2-CG 4.43Å
333N88.5Confident90.1Very high48 Ų4817.2 Ų17.226%0.2579%0.088SC..Hα-helixtrans-56.5-30.2172-64.3-12.7000112.2L288 Q329 S330 R383L288-N333 HydrophobicContact CD1-CB 3.84Å; Q329-N333 PolarHBondContact O-N 3.25Å; Q329-N333 PolarHBondContact O-ND2 2.93Å; Q329-N333 PolarHBondContact O-OD1 3.22Å; Q329-N333 VanDerWaalsContact O-OD1 3.04Å; S330-N333 WeakPolarHBondContact O-CB 3.37Å; S330-N333 PolarHBondContact O-N 3.47Å; N333-R383 VanDerWaalsContact OD1-CZ 3.29Å; N333-R383 PolarHBondContact OD1-NH1 2.93Å; N333-R383 PolarHBondContact OD1-NH2 3.13Å
334H90.8Very high89.4Confident0 Ų021.5 Ų21.50%011%0.11CC..THydrogen-bonded Turntrans-92.8-9-179.2-79.593.8000115.1H290 D295 I298 F299 I302 S330 Y331 L332 T336 R337 I338H290-H334 AromaticContact CE1-CE1 3.79Å; H290-H334 AromaticContact CE1-NE2 3.52Å; H290-H334 AromaticContact NE2-CE1 3.29Å; H290-H334 PolarHBondContact NE2-CE1 3.18Å; H290-H334 VanDerWaalsContact NE2-CE1 3.29Å; H290-H334 AromaticContact NE2-NE2 3.23Å; H290-H334 PolarHBondContact NE2-NE2 3.4Å; D295-H334 PolarHBondContact O-CE1 3.41Å; I298-H334 HydrophobicContact CG2-CB 4.09Å; F299-H334 WeakPolarHBondContact CB-NE2 3.48Å; F299-H334 AromaticContact CD2-CD2 4Å; F299-H334 AromaticContact CD2-NE2 3.56Å; F299-H334 AromaticContact CG-NE2 3.98Å; I302-H334 HydrophobicContact CD1-CB 3.51Å; S330-H334 PolarHBondContact O-N 2.9Å; S330-H334 PolarHBondContact O-ND1 2.96Å; Y331-H334 CarbonylContact O-C 3.58Å; Y331-H334 PolarHBondContact O-N 3.07Å; L332-H334 PolarHBondContact O-N 3.01Å; L332-H334 VanDerWaalsContact O-N 3.17Å; H334-T336 VanDerWaalsContact C-N 3.29Å; H334-T336 PolarHBondContact O-N 2.84Å; H334-T336 VanDerWaalsContact O-N 3.15Å; H334-R337 CarbonylContact O-C 3.54Å; H334-R337 WeakPolarHBondContact O-CA 3.33Å; H334-R337 WeakPolarHBondContact O-CB 3.27Å; H334-R337 PolarHBondContact O-N 3.23Å; H334-I338 PolarHBondContact O-N 3.09Å
335Y90.5Very high88.8Confident0 Ų020.7 Ų20.70%011%0.106CC..Hα-helixtrans-62.9-31.6-163.6-160.9-84.1000114Y331 L332 R337 I338 A339 L388 L389 F427 D430Y331-Y335 HydrophobicContact CD1-CD2 4.23Å; Y331-Y335 AromaticContact CE1-CD2 3.76Å; Y331-Y335 HydrophobicContact CE1-CD2 3.76Å; Y331-Y335 AromaticContact CE1-CE2 3.89Å; Y331-Y335 HydrophobicContact CE1-CE2 3.89Å; Y331-Y335 PolarHBondContact O-N 3.3Å; Y331-Y335 VanDerWaalsContact O-N 3.13Å; L332-Y335 WeakPolarHBondContact O-CB 3.28Å; L332-Y335 PolarHBondContact O-N 3.41Å; L332-Y335 VanDerWaalsContact O-N 3.14Å; Y335-R337 VanDerWaalsContact C-N 3.32Å; Y335-R337 PolarHBondContact O-N 2.67Å; Y335-I338 HydrophobicContact CD2-CD1 4.25Å; Y335-I338 WeakPolarHBondContact O-CB 3.45Å; Y335-I338 PolarHBondContact O-N 3.41Å; Y335-A339 PolarHBondContact O-N 2.9Å; Y335-L388 HydrophobicContact CD1-CD1 4.46Å; Y335-L388 HydrophobicContact CD1-CD2 3.96Å; Y335-L388 HydrophobicContact CD1-CG 3.93Å; Y335-L388 HydrophobicContact CG-CD2 4.19Å; Y335-L389 HydrophobicContact CE1-CD2 3.83Å; Y335-L389 WeakPolarHBondContact OH-CD2 3.4Å; Y335-F427 AromaticContact CE1-CD1 3.66Å; Y335-F427 HydrophobicContact CE1-CD1 3.66Å; Y335-F427 AromaticContact CE1-CE1 3.85Å; Y335-F427 HydrophobicContact CE1-CE1 3.85Å; Y335-F427 AromaticContact CZ-CD1 3.82Å; Y335-F427 VanDerWaalsContact OH-CD1 3.27Å; Y335-F427 WeakPolarHBondContact OH-CD1 3.49Å; Y335-D430 WeakPolarHBondContact CE2-OD2 3.43Å; Y335-D430 PolarHBondContact OH-OD2 3.36Å
336T86.2Confident88Confident26 Ų2618.6 Ų18.616%0.1610%0.097CC..Hα-helixtrans-64.8-33.8171.456.80000112.9F279 H334 S340 L388F279-T336 HydrophobicContact CD2-CG2 4.25Å; F279-T336 HydrophobicContact CE2-CG2 3.56Å; F279-T336 HydrophobicContact CZ-CG2 3.76Å; H334-T336 VanDerWaalsContact C-N 3.29Å; H334-T336 PolarHBondContact O-N 2.84Å; H334-T336 VanDerWaalsContact O-N 3.15Å; T336-S340 PolarHBondContact O-N 3.1Å; T336-S340 VanDerWaalsContact O-N 3.1Å; T336-L388 HydrophobicContact CG2-CD1 3.76Å
337R88.1Confident87Confident23 Ų2320.2 Ų20.29%0.08710%0.1CC..Hα-helixtrans-75-33.8173.4-65.2172.4174.469.91.2111V271 S273 N274 L288 H334 Y335 S340 T341V271-R337 PolarHBondContact O-NH2 3.06Å; S273-R337 PolarHBondContact O-NE 3.5Å; S273-R337 PolarHBondContact O-NH2 3.45Å; N274-R337 PolarHBondContact OD1-NH2 3.34Å; L288-R337 VanDerWaalsContact CD2-CZ 3.45Å; H334-R337 CarbonylContact O-C 3.54Å; H334-R337 WeakPolarHBondContact O-CA 3.33Å; H334-R337 WeakPolarHBondContact O-CB 3.27Å; H334-R337 PolarHBondContact O-N 3.23Å; Y335-R337 VanDerWaalsContact C-N 3.32Å; Y335-R337 PolarHBondContact O-N 2.67Å; R337-S340 PolarHBondContact O-N 2.91Å; R337-T341 WeakPolarHBondContact O-CB 3.46Å; R337-T341 PolarHBondContact O-N 3.18Å; R337-T341 PolarHBondContact O-OG1 2.99Å
338I90.7Very high85.8Confident0 Ų022.8 Ų22.80%012%0.121CC..Hα-helixtrans-58.8-51.6169.5-56.5-179.5000110I302 F306 Y331 H334 Y335 S340 T341 V342 I362I302-I338 HydrophobicContact CD1-CD1 4.22Å; I302-I338 HydrophobicContact CD1-CG1 3.6Å; I302-I338 HydrophobicContact CG1-CG1 3.98Å; F306-I338 HydrophobicContact CE2-CG2 4.24Å; F306-I338 HydrophobicContact CZ-CD1 4.24Å; F306-I338 HydrophobicContact CZ-CG1 4.11Å; F306-I338 HydrophobicContact CZ-CG2 4Å; Y331-I338 HydrophobicContact CD2-CD1 3.96Å; Y331-I338 HydrophobicContact CE1-CD1 4.14Å; Y331-I338 HydrophobicContact CE2-CD1 3.49Å; Y331-I338 VanDerWaalsContact CE2-CD1 3.49Å; Y331-I338 HydrophobicContact CG-CD1 4.47Å; H334-I338 PolarHBondContact O-N 3.09Å; Y335-I338 HydrophobicContact CD2-CD1 4.25Å; Y335-I338 WeakPolarHBondContact O-CB 3.45Å; Y335-I338 PolarHBondContact O-N 3.41Å; I338-S340 VanDerWaalsContact C-N 3.28Å; I338-S340 PolarHBondContact O-N 2.78Å; I338-T341 PolarHBondContact O-N 2.66Å; I338-V342 HydrophobicContact CG2-CG2 4.32Å; I338-V342 WeakPolarHBondContact O-CB 3.4Å; I338-V342 VanDerWaalsContact O-CG2 3.24Å; I338-V342 WeakPolarHBondContact O-CG2 3.43Å; I338-V342 PolarHBondContact O-N 3.23Å; I338-I362 HydrophobicContact CG2-CD1 4.01Å; I338-I362 HydrophobicContact CG2-CG1 4.42Å; I338-I362 HydrophobicContact CG2-CG2 4.09Å
339A87.8Confident84.4Confident0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-56.8-39.8176.700000112.9F277 Y335 L343 C392 M396 F427F277-A339 HydrophobicContact CE2-CB 3.93Å; Y335-A339 PolarHBondContact O-N 2.9Å; A339-L343 WeakPolarHBondContact O-CB 3.33Å; A339-L343 PolarHBondContact O-N 2.79Å; A339-C392 HydrophobicContact CB-CB 4.32Å; A339-M396 HydrophobicContact CB-CE 4Å; A339-M396 WeakPolarHBondContact O-CE 3.07Å; A339-F427 HydrophobicContact CB-CE1 3.89Å; A339-F427 HydrophobicContact CB-CZ 4.06Å
340S85.4Confident83.1Confident22 Ų2232.2 Ų32.215%0.15416%0.157CC..Hα-helixtrans-69.4-48.5178.4-173.10000112T336 R337 I338 V342 L343 L344T336-S340 PolarHBondContact O-N 3.1Å; T336-S340 VanDerWaalsContact O-N 3.1Å; R337-S340 PolarHBondContact O-N 2.91Å; I338-S340 VanDerWaalsContact C-N 3.28Å; I338-S340 PolarHBondContact O-N 2.78Å; S340-V342 VanDerWaalsContact C-N 3.28Å; S340-V342 PolarHBondContact O-N 3.19Å; S340-L343 PolarHBondContact O-N 3.21Å; S340-L344 WeakPolarHBondContact O-CB 3.41Å; S340-L344 VanDerWaalsContact O-CG 3.3Å; S340-L344 WeakPolarHBondContact O-CG 3.48Å; S340-L344 PolarHBondContact O-N 3.22Å
341T86.7Confident81.9Confident26 Ų2633.3 Ų33.316%0.1617%0.165CC..Hα-helixtrans-57.3-41.5175.5-69.50000112.1I302 R305 R337 I338 S345I302-T341 HydrophobicContact CG2-CG2 4.4Å; I302-T341 WeakPolarHBondContact CG2-OG1 3.32Å; I302-T341 WeakPolarHBondContact O-CG2 3.45Å; R305-T341 HydrophobicContact CG-CG2 3.86Å; R337-T341 WeakPolarHBondContact O-CB 3.46Å; R337-T341 PolarHBondContact O-N 3.18Å; R337-T341 PolarHBondContact O-OG1 2.99Å; I338-T341 PolarHBondContact O-N 2.66Å; T341-S345 WeakPolarHBondContact O-CB 3.39Å; T341-S345 PolarHBondContact O-N 3.06Å; T341-S345 PolarHBondContact O-OG 3.33Å
342V86.8Confident80.7Confident0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-65.2-44.6177.9167.50000111.2I338 S340 A346 M358 I362 M396 V423 F427I338-V342 HydrophobicContact CG2-CG2 4.32Å; I338-V342 WeakPolarHBondContact O-CB 3.4Å; I338-V342 VanDerWaalsContact O-CG2 3.24Å; I338-V342 WeakPolarHBondContact O-CG2 3.43Å; I338-V342 PolarHBondContact O-N 3.23Å; S340-V342 VanDerWaalsContact C-N 3.28Å; S340-V342 PolarHBondContact O-N 3.19Å; V342-A346 PolarHBondContact O-N 2.79Å; V342-M358 HydrophobicContact CB-CE 4.43Å; V342-M358 HydrophobicContact CG2-CE 4.07Å; V342-I362 HydrophobicContact CG2-CD1 3.29Å; V342-M396 HydrophobicContact CG1-CE 4.43Å; V342-V423 HydrophobicContact CG1-CB 4.48Å; V342-V423 HydrophobicContact CG1-CG1 3.54Å; V342-V423 WeakPolarHBondContact CG1-O 3.41Å; V342-F427 HydrophobicContact CB-CE2 4.49Å; V342-F427 HydrophobicContact CB-CZ 4.24Å; V342-F427 HydrophobicContact CG1-CE2 3.91Å; V342-F427 HydrophobicContact CG1-CZ 4.15Å; V342-F427 HydrophobicContact CG2-CZ 4.37Å
343L81.6Confident79.6Confident10 Ų1037.1 Ų37.15%0.05218%0.184CC..Hα-helixtrans-63.4-48.2175.2-17769.7000112.6F277 A339 S340 R347 M396 L418F277-L343 HydrophobicContact CE1-CD2 3.72Å; F277-L343 HydrophobicContact CZ-CB 4.39Å; F277-L343 HydrophobicContact CZ-CD2 3.6Å; A339-L343 WeakPolarHBondContact O-CB 3.33Å; A339-L343 PolarHBondContact O-N 2.79Å; S340-L343 PolarHBondContact O-N 3.21Å; L343-R347 WeakPolarHBondContact O-CG 3.45Å; L343-R347 PolarHBondContact O-N 3.17Å; L343-M396 HydrophobicContact CD1-CG 4.47Å; L343-L418 HydrophobicContact CD1-CD1 3.44Å; L343-L418 VanDerWaalsContact CD1-CD1 3.44Å; L343-L418 HydrophobicContact CD1-CD2 3.76Å; L343-L418 HydrophobicContact CD1-CG 4.22Å
344L80.8Confident78.9Confident90 Ų9038.5 Ų38.547%0.47119%0.186SC..Hα-helixtrans-67.9-42.9-176.6-71.1170.5000112S340 A346 R347 A348S340-L344 WeakPolarHBondContact O-CB 3.41Å; S340-L344 VanDerWaalsContact O-CG 3.3Å; S340-L344 WeakPolarHBondContact O-CG 3.48Å; S340-L344 PolarHBondContact O-N 3.22Å; L344-A346 VanDerWaalsContact C-N 3.29Å; L344-A346 PolarHBondContact O-N 3.14Å; L344-R347 PolarHBondContact O-N 2.85Å; L344-R347 VanDerWaalsContact O-N 3.12Å; L344-A348 PolarHBondContact O-N 3.19Å
345S79Confident78.3Confident1 Ų138.6 Ų38.61%0.00719%0.187CC..Hα-helixtrans-61.2-39179.3-600000111.6R305 T341 A348 I350R305-S345 PolarHBondContact NE-OG 3.11Å; T341-S345 WeakPolarHBondContact O-CB 3.39Å; T341-S345 PolarHBondContact O-N 3.06Å; T341-S345 PolarHBondContact O-OG 3.33Å; S345-A348 PolarHBondContact O-N 3.23Å; S345-I350 WeakPolarHBondContact O-CD1 3.42Å; S345-I350 WeakPolarHBondContact O-CG1 3.48Å
346A74.9Confident77.7Confident2 Ų242.4 Ų42.42%0.01721%0.206CC..Hα-helixtrans-72.4-25.9176.400000114.2V342 L344 I417 L418 V423V342-A346 PolarHBondContact O-N 2.79Å; L344-A346 VanDerWaalsContact C-N 3.29Å; L344-A346 PolarHBondContact O-N 3.14Å; A346-I417 WeakPolarHBondContact O-CD1 3.47Å; A346-L418 HydrophobicContact CB-CD2 3.82Å; A346-V423 HydrophobicContact CB-CG2 3.25Å
347R73.3Confident77.4Confident118 Ų11844.4 Ų44.445%0.44521%0.214SC..Hα-helixtrans-74.3-31.1171.4-70.5178.9179.9177.31.2112.4L343 L344 R349 C399 L418L343-R347 WeakPolarHBondContact O-CG 3.45Å; L343-R347 PolarHBondContact O-N 3.17Å; L344-R347 PolarHBondContact O-N 2.85Å; L344-R347 VanDerWaalsContact O-N 3.12Å; R347-R349 PolarHBondContact O-N 3.49Å; R347-C399 PolarHBondContact NH2-SG 3.25Å; R347-C399 VanDerWaalsContact NH2-SG 3.35Å; R347-L418 HydrophobicContact CG-CD2 4.08Å
348A69.9Low77.3Confident56 Ų5643.4 Ų43.446%0.46321%0.21SC..THydrogen-bonded Turntrans-74.120.8-172.500000115.7L344 S345 I350L344-A348 PolarHBondContact O-N 3.19Å; S345-A348 PolarHBondContact O-N 3.23Å; A348-I350 HydrophobicContact CB-CD1 4.3Å; A348-I350 HydrophobicContact CB-CG1 4.1Å; A348-I350 PolarHBondContact O-N 3.29Å; A348-I350 VanDerWaalsContact O-N 3.13Å
349R62.4Low77.1Confident208 Ų20843.5 Ų43.579%0.78521%0.211SC*.THydrogen-bonded Turntrans51.230.5-178.1-56.5-173.2-176.2-174.12.8114.8R347R347-R349 PolarHBondContact O-N 3.49Å
350I64.9Low77Confident33 Ų3345.1 Ų45.117%0.16922%0.22CC..  trans-71145.6175.2-54.2177.8000109.4S345 A348 W354S345-I350 WeakPolarHBondContact O-CD1 3.42Å; S345-I350 WeakPolarHBondContact O-CG1 3.48Å; A348-I350 HydrophobicContact CB-CD1 4.3Å; A348-I350 HydrophobicContact CB-CG1 4.1Å; A348-I350 PolarHBondContact O-N 3.29Å; A348-I350 VanDerWaalsContact O-N 3.13Å; I350-W354 HydrophobicContact CD1-CZ3 4.15Å; I350-W354 HydrophobicContact CG2-CB 4.2Å; I350-W354 HydrophobicContact CG2-CD2 4.13Å; I350-W354 HydrophobicContact CG2-CE3 3.64Å; I350-W354 HydrophobicContact CG2-CG 4.41Å; I350-W354 HydrophobicContact CG2-CZ3 4.25Å
351S67.3Low77.1Confident25 Ų2545.2 Ų45.218%0.17522%0.217CC..  trans-51.2130.9176.884.50000111.5E353 W354 S355 E1556S351-E353 PolarHBondContact O-N 2.99Å; S351-W354 WeakPolarHBondContact O-CB 3.49Å; S351-W354 PolarHBondContact O-N 3.29Å; S351-W354 WeakPolarHBondContact OG-CB 3.44Å; S351-S355 PolarHBondContact O-N 2.83Å; S351-S355 VanDerWaalsContact O-N 3.09Å; S351-E1556 VanDerWaalsContact CB-CD 3.5Å; S351-E1556 VanDerWaalsContact CB-OE1 3.32Å; S351-E1556 WeakPolarHBondContact CB-OE1 3.44Å; S351-E1556 WeakPolarHBondContact CB-OE2 3.41Å
352P67.7Low77.4Confident22 Ų2244 Ų4414%0.14321%0.209CC..Hα-helixtrans-70.7-17.6-176-25.136.6000114.4W354 S355 L356 N421 L1552P352-W354 VanDerWaalsContact C-N 3.29Å; P352-S355 PolarHBondContact O-N 3.17Å; P352-L356 VanDerWaalsContact O-CB 3.28Å; P352-L356 WeakPolarHBondContact O-CB 3.49Å; P352-L356 PolarHBondContact O-N 3.12Å; P352-N421 WeakPolarHBondContact CB-OD1 3.39Å; P352-N421 VanDerWaalsContact CG-OD1 3.26Å; P352-N421 WeakPolarHBondContact CG-OD1 3.18Å; P352-L1552 HydrophobicContact CB-CD1 3.66Å; P352-L1552 HydrophobicContact CG-CD1 3.53Å; P352-L1552 HydrophobicContact CG-CD2 3.91Å; P352-L1552 HydrophobicContact CG-CG 4.24Å
353E69Low77.4Confident69 Ų6944.7 Ų44.732%0.32221%0.213SC..Hα-helixtrans-60.6-42.4167.3179.9176.5-151.800110.8S351 L356 Q357 K1553S351-E353 PolarHBondContact O-N 2.99Å; E353-L356 PolarHBondContact O-N 3.48Å; E353-Q357 WeakPolarHBondContact O-CG 3.29Å; E353-Q357 PolarHBondContact O-N 2.94Å; E353-K1553 IonicContact OE1-NZ 2.69Å; E353-K1553 WeakPolarHBondContact OE2-CE 3.31Å; E353-K1553 IonicContact OE2-NZ 3.55Å; E353-K1553 PolarHBondContact OE2-NZ 2.85Å
354W73.2Confident77.6Confident78 Ų7845.3 Ų45.330%0.29522%0.216SC..Hα-helixtrans-73.8-36.8178.9-164.295000112R305 I350 S351 P352 L356 Q357 M358R305-W354 HydrophobicContact CB-CH2 3.49Å; R305-W354 VanDerWaalsContact CB-CH2 3.49Å; R305-W354 HydrophobicContact CB-CZ2 4.46Å; R305-W354 HydrophobicContact CB-CZ3 4.03Å; R305-W354 VanDerWaalsContact CD-CH2 3.44Å; R305-W354 HydrophobicContact CG-CH2 4.15Å; I350-W354 HydrophobicContact CD1-CZ3 4.15Å; I350-W354 HydrophobicContact CG2-CB 4.2Å; I350-W354 HydrophobicContact CG2-CD2 4.13Å; I350-W354 HydrophobicContact CG2-CE3 3.64Å; I350-W354 HydrophobicContact CG2-CG 4.41Å; I350-W354 HydrophobicContact CG2-CZ3 4.25Å; S351-W354 WeakPolarHBondContact O-CB 3.49Å; S351-W354 PolarHBondContact O-N 3.29Å; S351-W354 WeakPolarHBondContact OG-CB 3.44Å; P352-W354 VanDerWaalsContact C-N 3.29Å; W354-L356 VanDerWaalsContact C-N 3.31Å; W354-L356 PolarHBondContact O-N 3.48Å; W354-Q357 PolarHBondContact O-N 3.48Å; W354-M358 HydrophobicContact CZ3-SD 4.49Å; W354-M358 PolarHBondContact O-N 3.07Å
355S77.9Confident78Confident2 Ų241.1 Ų41.11%0.01419%0.194CC..Hα-helixtrans-59.2-41.6169.5-600000111.8S351 P352 M358 N359S351-S355 PolarHBondContact O-N 2.83Å; S351-S355 VanDerWaalsContact O-N 3.09Å; P352-S355 PolarHBondContact O-N 3.17Å; S355-M358 PolarHBondContact O-N 3.27Å; S355-N359 VanDerWaalsContact O-CG 3.26Å; S355-N359 PolarHBondContact O-N 3.32Å; S355-N359 PolarHBondContact O-OD1 3.04Å
356L78Confident78.6Confident79 Ų7941.1 Ų41.141%0.41419%0.194SC..Hα-helixtrans-66.5-40175.2179.962.7000112.1P352 E353 W354 N359 N360P352-L356 VanDerWaalsContact O-CB 3.28Å; P352-L356 WeakPolarHBondContact O-CB 3.49Å; P352-L356 PolarHBondContact O-N 3.12Å; E353-L356 PolarHBondContact O-N 3.48Å; W354-L356 VanDerWaalsContact C-N 3.31Å; W354-L356 PolarHBondContact O-N 3.48Å; L356-N359 PolarHBondContact O-N 3.13Å; L356-N360 WeakPolarHBondContact O-CB 3.29Å; L356-N360 PolarHBondContact O-N 3.18Å; L356-N360 PolarHBondContact O-ND2 3.15Å
357Q80.1Confident79Confident68 Ų6842.5 Ų42.532%0.31820%0.202SC..Hα-helixtrans-62.8-43.5173.9-73.8178.721.600112.2E353 W354 N360 R361E353-Q357 WeakPolarHBondContact O-CG 3.29Å; E353-Q357 PolarHBondContact O-N 2.94Å; W354-Q357 PolarHBondContact O-N 3.48Å; Q357-N360 PolarHBondContact O-N 3.43Å; Q357-R361 VanDerWaalsContact O-CG 3.32Å; Q357-R361 WeakPolarHBondContact O-CG 3.4Å; Q357-R361 PolarHBondContact O-N 2.98Å
358M85.4Confident79.5Confident2 Ų239 Ų391%0.0119%0.19CC..Hα-helixtrans-58.8-49.4173.9-179.2-174.262.900110.7R305 F306 V342 W354 S355 N360 R361 I362R305-M358 HydrophobicContact CB-SD 4.05Å; F306-M358 HydrophobicContact CB-CG 4.39Å; F306-M358 HydrophobicContact CD2-CG 3.98Å; V342-M358 HydrophobicContact CB-CE 4.43Å; V342-M358 HydrophobicContact CG2-CE 4.07Å; W354-M358 HydrophobicContact CZ3-SD 4.49Å; W354-M358 PolarHBondContact O-N 3.07Å; S355-M358 PolarHBondContact O-N 3.27Å; M358-N360 PolarHBondContact O-N 3.37Å; M358-R361 PolarHBondContact O-N 3.02Å; M358-R361 VanDerWaalsContact O-N 3.14Å; M358-I362 HydrophobicContact CG-CD1 4.1Å; M358-I362 WeakPolarHBondContact O-CG1 3.2Å; M358-I362 PolarHBondContact O-N 3.31Å
359N87.8Confident80.4Confident2 Ų236.4 Ų36.41%0.01117%0.169CC..Hα-helixtrans-61.2-42.5178.5-69.4-2.3000112.2S355 L356 R361 I362 V363 N422 W425 P426S355-N359 VanDerWaalsContact O-CG 3.26Å; S355-N359 PolarHBondContact O-N 3.32Å; S355-N359 PolarHBondContact O-OD1 3.04Å; L356-N359 PolarHBondContact O-N 3.13Å; N359-R361 VanDerWaalsContact C-N 3.33Å; N359-R361 PolarHBondContact O-N 3.3Å; N359-I362 PolarHBondContact O-N 3.21Å; N359-V363 WeakPolarHBondContact O-CG2 3.45Å; N359-V363 PolarHBondContact O-N 3.39Å; N359-N422 PolarHBondContact ND2-O 3.38Å; N359-W425 HydrophobicContact CB-CE3 4.25Å; N359-P426 HydrophobicContact CB-CG 3.82Å
360N84.6Confident81.6Confident35 Ų3526.5 Ų26.519%0.18713%0.131CC..Hα-helixtrans-58-42.6173.1-74.2-26.2000112.2A149 L356 Q357 M358 V363 H364 W425A149-N360 HydrophobicContact CB-CB 4.34Å; L356-N360 WeakPolarHBondContact O-CB 3.29Å; L356-N360 PolarHBondContact O-N 3.18Å; L356-N360 PolarHBondContact O-ND2 3.15Å; Q357-N360 PolarHBondContact O-N 3.43Å; M358-N360 PolarHBondContact O-N 3.37Å; N360-V363 PolarHBondContact O-N 3.45Å; N360-H364 VanDerWaalsContact O-CB 3.29Å; N360-H364 WeakPolarHBondContact O-CB 3.42Å; N360-H364 PolarHBondContact O-N 3.47Å; N360-W425 VanDerWaalsContact OD1-CZ3 3.25Å; N360-W425 WeakPolarHBondContact OD1-CZ3 3.38Å
361R87.8Confident82.4Confident24 Ų2425.8 Ų25.89%0.09113%0.129CC..Hα-helixtrans-70.3-34.2179.9-71.2173.1-164.413910.4112.5F306 E308 V311 Q357 M358 N359 H364 I365F306-R361 HydrophobicContact CB-CB 4.11Å; F306-R361 WeakPolarHBondContact O-CD 3.48Å; F306-R361 PolarHBondContact O-NH1 3.35Å; E308-R361 IonicContact OE2-CZ 2.93Å; E308-R361 VanDerWaalsContact OE2-CZ 3.26Å; E308-R361 IonicContact OE2-NE 3.5Å; E308-R361 PolarHBondContact OE2-NE 3.45Å; E308-R361 IonicContact OE2-NH2 3.42Å; E308-R361 PolarHBondContact OE2-NH2 3.1Å; V311-R361 HydrophobicContact CG1-CB 4.26Å; V311-R361 HydrophobicContact CG2-CB 4.44Å; Q357-R361 VanDerWaalsContact O-CG 3.32Å; Q357-R361 WeakPolarHBondContact O-CG 3.4Å; Q357-R361 PolarHBondContact O-N 2.98Å; M358-R361 PolarHBondContact O-N 3.02Å; M358-R361 VanDerWaalsContact O-N 3.14Å; N359-R361 VanDerWaalsContact C-N 3.33Å; N359-R361 PolarHBondContact O-N 3.3Å; R361-H364 PolarHBondContact O-N 3.24Å; R361-I365 WeakPolarHBondContact O-CG1 3.39Å; R361-I365 PolarHBondContact O-N 3.46Å
362I91.8Very high82.9Confident0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-64.2-51.2172.2-64.1165.8000110F306 I338 V342 M358 N359 H364 I365 S366 P426F306-I362 HydrophobicContact CD1-CG1 3.95Å; F306-I362 HydrophobicContact CD2-CD1 3.86Å; F306-I362 HydrophobicContact CD2-CG1 3.63Å; F306-I362 HydrophobicContact CE1-CG1 3.85Å; F306-I362 HydrophobicContact CE2-CD1 3.65Å; F306-I362 HydrophobicContact CE2-CG1 3.54Å; F306-I362 HydrophobicContact CG-CG1 3.85Å; F306-I362 HydrophobicContact CZ-CD1 4.16Å; F306-I362 HydrophobicContact CZ-CG1 3.64Å; I338-I362 HydrophobicContact CG2-CD1 4.01Å; I338-I362 HydrophobicContact CG2-CG1 4.42Å; I338-I362 HydrophobicContact CG2-CG2 4.09Å; V342-I362 HydrophobicContact CG2-CD1 3.29Å; M358-I362 HydrophobicContact CG-CD1 4.1Å; M358-I362 WeakPolarHBondContact O-CG1 3.2Å; M358-I362 PolarHBondContact O-N 3.31Å; N359-I362 PolarHBondContact O-N 3.21Å; I362-H364 VanDerWaalsContact C-N 3.25Å; I362-H364 PolarHBondContact O-N 3.41Å; I362-I365 WeakPolarHBondContact O-CB 3.35Å; I362-I365 PolarHBondContact O-N 2.85Å; I362-I365 VanDerWaalsContact O-N 3.1Å; I362-S366 PolarHBondContact O-N 2.95Å; I362-S366 PolarHBondContact O-OG 2.73Å; I362-P426 HydrophobicContact CB-CB 4.3Å; I362-P426 HydrophobicContact CB-CG 4.45Å; I362-P426 HydrophobicContact CG2-CB 3.78Å; I362-P426 HydrophobicContact CG2-CG 4.4Å
363V88.8Confident83.8Confident15 Ų1527.7 Ų27.79%0.09114%0.137CC..Hα-helixtrans-58.2-37.7176.2168.40000111.9N359 N360 I365 S366 V367 W425 P426 S429N359-V363 WeakPolarHBondContact O-CG2 3.45Å; N359-V363 PolarHBondContact O-N 3.39Å; N360-V363 PolarHBondContact O-N 3.45Å; V363-I365 VanDerWaalsContact C-N 3.31Å; V363-I365 PolarHBondContact O-N 2.8Å; V363-S366 WeakPolarHBondContact CA-OG 3.32Å; V363-S366 PolarHBondContact O-N 3.09Å; V363-S366 PolarHBondContact O-OG 3.03Å; V363-V367 HydrophobicContact CG1-CG2 3.85Å; V363-V367 VanDerWaalsContact O-CB 3.3Å; V363-V367 WeakPolarHBondContact O-CB 3.38Å; V363-V367 WeakPolarHBondContact O-CG2 3.39Å; V363-V367 PolarHBondContact O-N 2.96Å; V363-W425 HydrophobicContact CB-CH2 4.34Å; V363-W425 HydrophobicContact CB-CZ3 4.11Å; V363-W425 HydrophobicContact CG1-CH2 4.13Å; V363-W425 HydrophobicContact CG1-CZ3 4.39Å; V363-W425 HydrophobicContact CG2-CD2 4.5Å; V363-W425 HydrophobicContact CG2-CE3 3.87Å; V363-W425 HydrophobicContact CG2-CH2 4.16Å; V363-W425 HydrophobicContact CG2-CZ3 3.68Å; V363-P426 HydrophobicContact CG2-CB 4.08Å; V363-P426 HydrophobicContact CG2-CG 4.41Å; V363-S429 WeakPolarHBondContact CG1-OG 3.46Å
364H84.4Confident84.5Confident22 Ų2230.4 Ų30.410%0.10215%0.149CC..Hα-helixtrans-65-33.5178.2-172.5-155.2000112.8G151 I315 N360 R361 I362 Q368G151-H364 WeakPolarHBondContact CA-NE2 3.4Å; G151-H364 PolarHBondContact N-CE1 2.83Å; G151-H364 PolarHBondContact N-NE2 3.39Å; G151-H364 PolarHBondContact O-NE2 3.33Å; I315-H364 HydrophobicContact CD1-CB 4.25Å; N360-H364 VanDerWaalsContact O-CB 3.29Å; N360-H364 WeakPolarHBondContact O-CB 3.42Å; N360-H364 PolarHBondContact O-N 3.47Å; R361-H364 PolarHBondContact O-N 3.24Å; I362-H364 VanDerWaalsContact C-N 3.25Å; I362-H364 PolarHBondContact O-N 3.41Å; H364-Q368 WeakPolarHBondContact O-CG 3.27Å
365I90.7Very high85.1Confident3 Ų327.6 Ų27.62%0.01514%0.14CC..Hα-helixtrans-69.5-55.8170.3-61.4165.2000109.8F306 V311 I315 F327 Y331 R361 I362 V363 V367 Q368 L369F306-I365 HydrophobicContact CD1-CD1 3.88Å; F306-I365 HydrophobicContact CE1-CD1 3.79Å; V311-I365 HydrophobicContact CG1-CD1 4.05Å; V311-I365 HydrophobicContact CG1-CG1 3.88Å; V311-I365 HydrophobicContact CG2-CD1 4.35Å; I315-I365 HydrophobicContact CD1-CB 4.48Å; I315-I365 HydrophobicContact CD1-CG1 3.79Å; I315-I365 HydrophobicContact CG1-CG1 3.9Å; F327-I365 HydrophobicContact CE1-CG2 3.57Å; F327-I365 HydrophobicContact CZ-CG2 3.93Å; Y331-I365 HydrophobicContact CD2-CG2 3.93Å; Y331-I365 HydrophobicContact CE2-CB 4.17Å; Y331-I365 HydrophobicContact CE2-CD1 4.17Å; Y331-I365 HydrophobicContact CE2-CG2 3.56Å; R361-I365 WeakPolarHBondContact O-CG1 3.39Å; R361-I365 PolarHBondContact O-N 3.46Å; I362-I365 WeakPolarHBondContact O-CB 3.35Å; I362-I365 PolarHBondContact O-N 2.85Å; I362-I365 VanDerWaalsContact O-N 3.1Å; V363-I365 VanDerWaalsContact C-N 3.31Å; V363-I365 PolarHBondContact O-N 2.8Å; I365-V367 PolarHBondContact O-N 3.09Å; I365-Q368 WeakPolarHBondContact O-CB 3.2Å; I365-Q368 PolarHBondContact O-N 2.88Å; I365-L369 HydrophobicContact CG2-CD1 3.95Å; I365-L369 PolarHBondContact O-N 3.35Å
366S90.6Very high85.7Confident0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-67.9-32.3-168.462.10000113.9I362 V363 Q368 L369 F370 D430I362-S366 PolarHBondContact O-N 2.95Å; I362-S366 PolarHBondContact O-OG 2.73Å; V363-S366 WeakPolarHBondContact CA-OG 3.32Å; V363-S366 PolarHBondContact O-N 3.09Å; V363-S366 PolarHBondContact O-OG 3.03Å; S366-Q368 VanDerWaalsContact C-N 3.25Å; S366-Q368 PolarHBondContact O-N 3.36Å; S366-L369 PolarHBondContact O-N 2.62Å; S366-F370 WeakPolarHBondContact O-CB 3.13Å; S366-F370 WeakPolarHBondContact O-CD2 3.31Å; S366-F370 WeakPolarHBondContact O-CG 3.31Å; S366-F370 PolarHBondContact O-N 2.69Å; S366-D430 WeakPolarHBondContact CB-OD1 3.39Å; S366-D430 PolarHBondContact OG-OD1 2.86Å
367V84Confident86.3Confident31 Ų3125.3 Ų25.319%0.18813%0.128CC..Hα-helixtrans-57.5-38.4171.4165.90000111.5V363 I365 L369 S371V363-V367 HydrophobicContact CG1-CG2 3.85Å; V363-V367 VanDerWaalsContact O-CB 3.3Å; V363-V367 WeakPolarHBondContact O-CB 3.38Å; V363-V367 WeakPolarHBondContact O-CG2 3.39Å; V363-V367 PolarHBondContact O-N 2.96Å; I365-V367 PolarHBondContact O-N 3.09Å; V367-L369 PolarHBondContact O-N 2.78Å; V367-S371 VanDerWaalsContact O-CB 3.28Å; V367-S371 WeakPolarHBondContact O-CB 3.36Å; V367-S371 PolarHBondContact O-N 2.72Å; V367-S371 PolarHBondContact O-OG 2.99Å
368Q83.8Confident86.8Confident44 Ų4425.6 Ų25.621%0.20613%0.126CC..Hα-helixtrans-74.7-13.1179.4-63.9-68.8-5800113.3I315 L318 K324 H364 I365 S366I315-Q368 HydrophobicContact CG2-CG 4.13Å; L318-Q368 HydrophobicContact CD1-CB 3.99Å; K324-Q368 WeakPolarHBondContact CE-O 3.36Å; K324-Q368 PolarHBondContact NZ-O 3.24Å; H364-Q368 WeakPolarHBondContact O-CG 3.27Å; I365-Q368 WeakPolarHBondContact O-CB 3.2Å; I365-Q368 PolarHBondContact O-N 2.88Å; S366-Q368 VanDerWaalsContact C-N 3.25Å; S366-Q368 PolarHBondContact O-N 3.36Å
369L88Confident87Confident2 Ų225.5 Ų25.51%0.0113%0.126CC..Hα-helixtrans-100.8-37178.1-59.6179.4000112.6L318 F327 I328 Y331 I365 S366 V367L318-L369 HydrophobicContact CD1-CD2 4.22Å; L318-L369 HydrophobicContact CD2-CD2 4.34Å; F327-L369 HydrophobicContact CD1-CD1 4.12Å; F327-L369 HydrophobicContact CD1-CD2 4.15Å; F327-L369 HydrophobicContact CE1-CD1 4.06Å; I328-L369 HydrophobicContact CB-CD2 4.2Å; I328-L369 HydrophobicContact CD1-CB 3.81Å; I328-L369 HydrophobicContact CD1-CD2 4.26Å; I328-L369 HydrophobicContact CD1-CG 4.43Å; I328-L369 HydrophobicContact CG1-CB 4.32Å; I328-L369 HydrophobicContact CG1-CD1 4.22Å; I328-L369 HydrophobicContact CG1-CD2 4.33Å; Y331-L369 HydrophobicContact CD1-CD1 3.83Å; Y331-L369 HydrophobicContact CE1-CD1 4.22Å; Y331-L369 HydrophobicContact CG-CD1 4.09Å; I365-L369 HydrophobicContact CG2-CD1 3.95Å; I365-L369 PolarHBondContact O-N 3.35Å; S366-L369 PolarHBondContact O-N 2.62Å; V367-L369 PolarHBondContact O-N 2.78Å
370F87.1Confident87.2Confident0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-112.5-0.1-167.2-52-38.1000115.5I328 Y331 L332 S366 G372 V379 L385 D430 N433 L434I328-F370 HydrophobicContact CD1-CD1 4.36Å; I328-F370 HydrophobicContact CD1-CE1 4.01Å; I328-F370 HydrophobicContact CG1-CE1 4.34Å; Y331-F370 HydrophobicContact CE1-CZ 4.43Å; L332-F370 HydrophobicContact CD2-CZ 4.17Å; S366-F370 WeakPolarHBondContact O-CB 3.13Å; S366-F370 WeakPolarHBondContact O-CD2 3.31Å; S366-F370 WeakPolarHBondContact O-CG 3.31Å; S366-F370 PolarHBondContact O-N 2.69Å; F370-G372 VanDerWaalsContact C-N 3.33Å; F370-V379 HydrophobicContact CE1-CG1 4.39Å; F370-L385 HydrophobicContact CD1-CD2 4.03Å; F370-L385 HydrophobicContact CD2-CD2 4.41Å; F370-L385 HydrophobicContact CE1-CD2 3.54Å; F370-L385 HydrophobicContact CE2-CD2 3.97Å; F370-L385 HydrophobicContact CG-CD2 4.46Å; F370-L385 HydrophobicContact CZ-CD2 3.52Å; F370-D430 HydrophobicContact CD2-CB 4.13Å; F370-D430 HydrophobicContact CE2-CB 4.31Å; F370-N433 HydrophobicContact CB-CB 4.29Å; F370-L434 HydrophobicContact CB-CD2 4.14Å; F370-L434 HydrophobicContact CG-CD2 4.42Å
371S81.3Confident87.4Confident18 Ų1830.2 Ų30.213%0.12615%0.145CC..SBendtrans-81.1-7.3175.5-56.70000114.7V367 H437V367-S371 VanDerWaalsContact O-CB 3.28Å; V367-S371 WeakPolarHBondContact O-CB 3.36Å; V367-S371 PolarHBondContact O-N 2.72Å; V367-S371 PolarHBondContact O-OG 2.99Å; S371-H437 PolarHBondContact O-CE1 3.3Å; S371-H437 PolarHBondContact O-NE2 3.45Å
372G78.7Confident87.4Confident11 Ų1134.4 Ų34.411%0.11317%0.165CC..SBendtrans-105.8120.3-178.900000111.3F370 E374 L375 A376F370-G372 VanDerWaalsContact C-N 3.33Å; G372-E374 VanDerWaalsContact C-N 3.34Å; G372-E374 PolarHBondContact O-N 3.32Å; G372-L375 PolarHBondContact O-N 2.85Å; G372-A376 WeakPolarHBondContact O-CB 3.38Å; G372-A376 PolarHBondContact O-N 3.35Å
373E85.7Confident87.2Confident77 Ų7737.3 Ų37.336%0.3618%0.176SC..Hα-helixtrans-56.2-43.8-169.2-172156.5-162.700113.2L375 L377 H437 S439E373-L375 PolarHBondContact O-N 2.88Å; E373-L377 WeakPolarHBondContact O-CB 3.49Å; E373-L377 PolarHBondContact O-N 3.5Å; E373-H437 HydrophobicContact CB-CB 4.47Å; E373-H437 WeakPolarHBondContact CB-ND1 3.45Å; E373-H437 HydrophobicContact CG-CB 3.93Å; E373-H437 PolarHBondContact N-CE1 3.38Å; E373-H437 IonicContact OE2-ND1 3.61Å; E373-S439 WeakPolarHBondContact CG-OG 3.45Å; E373-S439 VanDerWaalsContact OE1-CB 3.27Å; E373-S439 WeakPolarHBondContact OE1-CB 3.45Å; E373-S439 PolarHBondContact OE1-N 2.81Å; E373-S439 VanDerWaalsContact OE1-N 3.13Å; E373-S439 PolarHBondContact OE1-OG 3.11Å
374E85.4Confident87.1Confident126 Ų12638.9 Ų38.959%0.58918%0.184SC*.Hα-helixtrans-62.9-46-177.6-162.8-148.7127.900112.4G372 L377 R378G372-E374 VanDerWaalsContact C-N 3.34Å; G372-E374 PolarHBondContact O-N 3.32Å; E374-L377 PolarHBondContact O-N 2.75Å; E374-R378 VanDerWaalsContact O-CB 3.31Å; E374-R378 WeakPolarHBondContact O-CB 3.49Å; E374-R378 PolarHBondContact O-N 2.87Å; E374-R378 IonicContact OE1-CZ 3.66Å; E374-R378 IonicContact OE1-NE 3.78Å; E374-R378 IonicContact OE1-NH2 2.75Å; E374-R378 PolarHBondContact OE1-NH2 2.83Å
375L85.6Confident87.4Confident18 Ų1837.9 Ų37.99%0.09418%0.179CC..Hα-helixtrans-72.3-41.4-177.3-173.456.4000111.1K324 I328 G372 E373 R378 V379K324-L375 HydrophobicContact CD-CD2 4.45Å; I328-L375 HydrophobicContact CD1-CD1 4.01Å; I328-L375 HydrophobicContact CD1-CD2 3.79Å; I328-L375 HydrophobicContact CD1-CG 3.69Å; I328-L375 HydrophobicContact CG2-CD1 4.39Å; G372-L375 PolarHBondContact O-N 2.85Å; E373-L375 PolarHBondContact O-N 2.88Å; L375-R378 PolarHBondContact O-N 2.82Å; L375-V379 WeakPolarHBondContact O-CB 3.49Å; L375-V379 WeakPolarHBondContact O-CG2 3.47Å; L375-V379 PolarHBondContact O-N 2.78Å
376A90.3Very high87.5Confident0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-61.8-42.8173.600000112.2G372 V379 I380 L434 I440G372-A376 WeakPolarHBondContact O-CB 3.38Å; G372-A376 PolarHBondContact O-N 3.35Å; A376-V379 PolarHBondContact O-N 3Å; A376-I380 WeakPolarHBondContact O-CG1 3.39Å; A376-I380 PolarHBondContact O-N 2.58Å; A376-L434 HydrophobicContact CB-CD2 3.67Å; A376-I440 HydrophobicContact CB-CD1 3.47Å; A376-I440 VanDerWaalsContact CB-CD1 3.47Å
377L91.2Very high87.5Confident33 Ų3338.1 Ų38.117%0.17318%0.18CC..Hα-helixtrans-65.4-40.4175.7-176.467.1000112.2E373 E374 K381 I440 I443E373-L377 WeakPolarHBondContact O-CB 3.49Å; E373-L377 PolarHBondContact O-N 3.5Å; E374-L377 PolarHBondContact O-N 2.75Å; L377-K381 HydrophobicContact CD1-CD 4.4Å; L377-K381 HydrophobicContact CG-CD 4.33Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 WeakPolarHBondContact O-CG 3.43Å; L377-K381 PolarHBondContact O-N 2.93Å; L377-K381 VanDerWaalsContact O-N 3.12Å; L377-I440 HydrophobicContact CB-CG1 4.43Å; L377-I440 HydrophobicContact CD1-CG1 4.22Å; L377-I443 HydrophobicContact CD1-CD1 3.52Å
378R89.7Confident87.8Confident74 Ų7437.3 Ų37.328%0.27918%0.175SC..Hα-helixtrans-61.1-49174.8-169.9-168.8-57.7172.75.9110.7E325 E374 L375 K381 Q382E325-R378 IonicContact OE1-CZ 3.6Å; E325-R378 IonicContact OE1-NH1 3.18Å; E325-R378 PolarHBondContact OE1-NH1 2.99Å; E325-R378 IonicContact OE2-CZ 3.36Å; E325-R378 IonicContact OE2-NH1 2.72Å; E325-R378 PolarHBondContact OE2-NH1 3.19Å; E374-R378 VanDerWaalsContact O-CB 3.31Å; E374-R378 WeakPolarHBondContact O-CB 3.49Å; E374-R378 PolarHBondContact O-N 2.87Å; E374-R378 IonicContact OE1-CZ 3.66Å; E374-R378 IonicContact OE1-NE 3.78Å; E374-R378 IonicContact OE1-NH2 2.75Å; E374-R378 PolarHBondContact OE1-NH2 2.83Å; L375-R378 PolarHBondContact O-N 2.82Å; R378-K381 PolarHBondContact O-N 2.83Å; R378-Q382 WeakPolarHBondContact O-CB 3.38Å; R378-Q382 WeakPolarHBondContact O-CG 3.29Å; R378-Q382 PolarHBondContact O-N 3.31Å
379V90Very high88.2Confident1 Ų135.2 Ų35.21%0.00617%0.165CC..Hα-helixtrans-62.6-43.1179163.40000112.4I328 L332 F370 L375 A376 Q382 R383 L385I328-V379 HydrophobicContact CD1-CG2 3.6Å; I328-V379 HydrophobicContact CG1-CG2 4.03Å; L332-V379 HydrophobicContact CD1-CB 4.32Å; L332-V379 HydrophobicContact CD1-CG1 3.55Å; L332-V379 HydrophobicContact CD1-CG2 3.83Å; L332-V379 HydrophobicContact CD2-CG1 4.24Å; F370-V379 HydrophobicContact CE1-CG1 4.39Å; L375-V379 WeakPolarHBondContact O-CB 3.49Å; L375-V379 WeakPolarHBondContact O-CG2 3.47Å; L375-V379 PolarHBondContact O-N 2.78Å; A376-V379 PolarHBondContact O-N 3Å; V379-Q382 PolarHBondContact O-N 3.01Å; V379-R383 WeakPolarHBondContact O-CA 3.39Å; V379-R383 VanDerWaalsContact O-CB 3.31Å; V379-R383 WeakPolarHBondContact O-CB 3.26Å; V379-R383 PolarHBondContact O-N 3.39Å; V379-L385 HydrophobicContact CG1-CB 3.7Å; V379-L385 HydrophobicContact CG1-CD2 3.58Å; V379-L385 HydrophobicContact CG1-CG 4.26Å
380I91.7Very high88.4Confident2 Ų235.1 Ų35.11%0.0116%0.164CC..Hα-helixtrans-60-49.6175.4-78.3177.9000110.9A376 Q382 N384 L434 I440 I443A376-I380 WeakPolarHBondContact O-CG1 3.39Å; A376-I380 PolarHBondContact O-N 2.58Å; I380-Q382 VanDerWaalsContact C-N 3.35Å; I380-Q382 PolarHBondContact O-N 3.4Å; I380-N384 WeakPolarHBondContact O-CA 3.43Å; I380-N384 PolarHBondContact O-N 2.78Å; I380-L434 HydrophobicContact CD1-CB 4.43Å; I380-L434 HydrophobicContact CD1-CD1 4.17Å; I380-L434 HydrophobicContact CD1-CD2 4.18Å; I380-L434 HydrophobicContact CD1-CG 4.49Å; I380-L434 HydrophobicContact CG1-CD1 4.48Å; I380-I440 HydrophobicContact CD1-CB 4.2Å; I380-I440 HydrophobicContact CD1-CD1 3.95Å; I380-I440 HydrophobicContact CD1-CG1 3.97Å; I380-I440 HydrophobicContact CD1-CG2 3.31Å; I380-I443 HydrophobicContact CG2-CG2 4.45Å
381K89.4Confident88.6Confident134 Ų13436.7 Ų36.758%0.58317%0.172SC*.Hα-helixtrans-67.6-28.8-178-71.9176.9178.51770114.5L377 R378 I443L377-K381 HydrophobicContact CD1-CD 4.4Å; L377-K381 HydrophobicContact CG-CD 4.33Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 WeakPolarHBondContact O-CG 3.43Å; L377-K381 PolarHBondContact O-N 2.93Å; L377-K381 VanDerWaalsContact O-N 3.12Å; R378-K381 PolarHBondContact O-N 2.83Å; K381-I443 HydrophobicContact CG-CD1 4.43Å
382Q87.9Confident89Confident111 Ų11135.9 Ų35.952%0.51917%0.166SC..Hα-helixtrans-97.9-29.4-177.1-69.1178.6-7.500113.9R378 V379 I380R378-Q382 WeakPolarHBondContact O-CB 3.38Å; R378-Q382 WeakPolarHBondContact O-CG 3.29Å; R378-Q382 PolarHBondContact O-N 3.31Å; V379-Q382 PolarHBondContact O-N 3.01Å; I380-Q382 VanDerWaalsContact C-N 3.35Å; I380-Q382 PolarHBondContact O-N 3.4Å
383R86Confident89.6Confident62 Ų6235.3 Ų35.323%0.23416%0.161CC..Hα-helixtrans-128.3-0.6-166.5-55.3-61.9-55.1-96.52.9114.3Q329 L332 N333 V379 L385Q329-R383 PolarHBondContact O-NH1 3.02Å; L332-R383 HydrophobicContact CD1-CB 4.27Å; L332-R383 HydrophobicContact CD1-CG 3.99Å; N333-R383 VanDerWaalsContact OD1-CZ 3.29Å; N333-R383 PolarHBondContact OD1-NH1 2.93Å; N333-R383 PolarHBondContact OD1-NH2 3.13Å; V379-R383 WeakPolarHBondContact O-CA 3.39Å; V379-R383 VanDerWaalsContact O-CB 3.31Å; V379-R383 WeakPolarHBondContact O-CB 3.26Å; V379-R383 PolarHBondContact O-N 3.39Å; R383-L385 PolarHBondContact O-N 3.24Å
384N87.9Confident89.9Confident48 Ų4832 Ų3226%0.25715%0.145SC..  trans52.337.6179.2-60.3-43.5000114I282 I380 H386 H387 L388I282-N384 WeakPolarHBondContact CG1-ND2 3.38Å; I380-N384 WeakPolarHBondContact O-CA 3.43Å; I380-N384 PolarHBondContact O-N 2.78Å; N384-H386 PolarHBondContact O-N 2.87Å; N384-H386 VanDerWaalsContact O-N 3.11Å; N384-H387 WeakPolarHBondContact O-CB 3.36Å; N384-H387 PolarHBondContact O-N 2.82Å; N384-L388 PolarHBondContact O-N 3.48Å
385L90.8Very high89.9Confident1 Ų127.1 Ų27.11%0.00512%0.123CC..Hα-helixtrans-55.3-32.8-175.3174.460.9000113L332 F370 V379 R383 H387 L388 L389 L434L332-L385 HydrophobicContact CD2-CD1 3.78Å; L332-L385 HydrophobicContact CD2-CD2 4.22Å; L332-L385 HydrophobicContact CD2-CG 4.43Å; F370-L385 HydrophobicContact CD1-CD2 4.03Å; F370-L385 HydrophobicContact CD2-CD2 4.41Å; F370-L385 HydrophobicContact CE1-CD2 3.54Å; F370-L385 HydrophobicContact CE2-CD2 3.97Å; F370-L385 HydrophobicContact CG-CD2 4.46Å; F370-L385 HydrophobicContact CZ-CD2 3.52Å; V379-L385 HydrophobicContact CG1-CB 3.7Å; V379-L385 HydrophobicContact CG1-CD2 3.58Å; V379-L385 HydrophobicContact CG1-CG 4.26Å; R383-L385 PolarHBondContact O-N 3.24Å; L385-H387 PolarHBondContact O-N 3.09Å; L385-L388 HydrophobicContact CD1-CD2 4.35Å; L385-L388 WeakPolarHBondContact O-CB 3.33Å; L385-L388 PolarHBondContact O-N 3.28Å; L385-L389 HydrophobicContact CD1-CD1 4.15Å; L385-L389 HydrophobicContact CD1-CD2 4.37Å; L385-L389 HydrophobicContact CD1-CG 3.89Å; L385-L389 HydrophobicContact CD2-CD1 4.48Å; L385-L389 HydrophobicContact CG-CD1 3.9Å; L385-L389 HydrophobicContact CG-CG 4.16Å; L385-L389 VanDerWaalsContact O-CG 3.3Å; L385-L389 WeakPolarHBondContact O-CG 3.41Å; L385-L389 PolarHBondContact O-N 3.01Å; L385-L434 HydrophobicContact CD2-CD1 3.83Å; L385-L434 HydrophobicContact CD2-CD2 4.36Å; L385-L434 HydrophobicContact CG-CD1 4.02Å
386H91.8Very high90Very high4 Ų426.6 Ų26.62%0.01912%0.12CC..Hα-helixtrans-61.7-42.3177.758.8-60.7000113N384 V390 L444 D447 F450N384-H386 PolarHBondContact O-N 2.87Å; N384-H386 VanDerWaalsContact O-N 3.11Å; H386-V390 WeakPolarHBondContact O-CG2 3.1Å; H386-V390 PolarHBondContact O-N 3.36Å; H386-L444 HydrophobicContact CB-CD2 3.33Å; H386-L444 WeakPolarHBondContact CD2-CD2 3.42Å; H386-L444 VanDerWaalsContact CG-CD2 3.41Å; H386-D447 IonicContact CD2-OD2 2.91Å; H386-D447 IonicContact CE1-OD2 3.76Å; H386-D447 IonicContact NE2-OD2 3.76Å; H386-D447 PolarHBondContact NE2-OD2 3.28Å; H386-F450 HydrophobicContact CB-CD2 3.91Å; H386-F450 HydrophobicContact CB-CE2 3.9Å; H386-F450 AromaticContact CD2-CD2 3.54Å; H386-F450 AromaticContact CD2-CG 3.85Å
387H91.4Very high89.9Confident4 Ų426.8 Ų26.82%0.01912%0.121CC..Hα-helixtrans-64.1-44.6171.3-76.8-77.8000111.2I283 N384 L385 L389 V390 H391 D447 F450I283-H387 HydrophobicContact CD1-CB 3.77Å; I283-H387 HydrophobicContact CG1-CB 4.12Å; N384-H387 WeakPolarHBondContact O-CB 3.36Å; N384-H387 PolarHBondContact O-N 2.82Å; L385-H387 PolarHBondContact O-N 3.09Å; H387-L389 PolarHBondContact O-N 3.13Å; H387-V390 PolarHBondContact O-N 3.35Å; H387-H391 WeakPolarHBondContact O-CB 2.97Å; H387-H391 PolarHBondContact O-CD2 2.87Å; H387-H391 VanDerWaalsContact O-CD2 3.31Å; H387-H391 PolarHBondContact O-N 3.25Å; H387-D447 IonicContact CD2-OD2 2.69Å; H387-D447 IonicContact CE1-OD1 2.61Å; H387-D447 IonicContact CE1-OD2 3.32Å; H387-D447 IonicContact NE2-OD1 3.78Å; H387-D447 PolarHBondContact NE2-OD1 2.94Å; H387-D447 IonicContact NE2-OD2 3.75Å; H387-D447 PolarHBondContact NE2-OD2 3.46Å; H387-F450 PolarHBondContact CE1-N 2.94Å; H387-F450 VanDerWaalsContact CE1-N 3.3Å
388L89.5Confident89.7Confident13 Ų1328.4 Ų28.47%0.06813%0.132CC..Hα-helixtrans-59.8-45180178.155.2000112.4F279 I283 Y335 T336 N384 L385 C392F279-L388 HydrophobicContact CD1-CD1 4.44Å; F279-L388 HydrophobicContact CE1-CD1 3.86Å; F279-L388 HydrophobicContact CZ-CD1 4.18Å; I283-L388 HydrophobicContact CG2-CB 4.3Å; I283-L388 HydrophobicContact CG2-CD1 3.79Å; Y335-L388 HydrophobicContact CD1-CD1 4.46Å; Y335-L388 HydrophobicContact CD1-CD2 3.96Å; Y335-L388 HydrophobicContact CD1-CG 3.93Å; Y335-L388 HydrophobicContact CG-CD2 4.19Å; T336-L388 HydrophobicContact CG2-CD1 3.76Å; N384-L388 PolarHBondContact O-N 3.48Å; L385-L388 HydrophobicContact CD1-CD2 4.35Å; L385-L388 WeakPolarHBondContact O-CB 3.33Å; L385-L388 PolarHBondContact O-N 3.28Å; L388-C392 WeakPolarHBondContact O-CB 3.46Å; L388-C392 PolarHBondContact O-N 3.32Å; L388-C392 PolarHBondContact O-SG 3.22Å
389L92.3Very high89.3Confident0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-61.7-49.9175.9-70.9168.9000112.4Y335 L385 H387 H391 C392 L393 F427 D430 L431 L434Y335-L389 HydrophobicContact CE1-CD2 3.83Å; Y335-L389 WeakPolarHBondContact OH-CD2 3.4Å; L385-L389 HydrophobicContact CD1-CD1 4.15Å; L385-L389 HydrophobicContact CD1-CD2 4.37Å; L385-L389 HydrophobicContact CD1-CG 3.89Å; L385-L389 HydrophobicContact CD2-CD1 4.48Å; L385-L389 HydrophobicContact CG-CD1 3.9Å; L385-L389 HydrophobicContact CG-CG 4.16Å; L385-L389 VanDerWaalsContact O-CG 3.3Å; L385-L389 WeakPolarHBondContact O-CG 3.41Å; L385-L389 PolarHBondContact O-N 3.01Å; H387-L389 PolarHBondContact O-N 3.13Å; L389-H391 VanDerWaalsContact C-N 3.35Å; L389-H391 PolarHBondContact O-N 3.14Å; L389-C392 PolarHBondContact O-N 2.86Å; L389-L393 WeakPolarHBondContact O-CG 3.47Å; L389-L393 PolarHBondContact O-N 3.15Å; L389-F427 HydrophobicContact CD2-CB 4.29Å; L389-D430 HydrophobicContact CD1-CB 4.12Å; L389-D430 HydrophobicContact CD2-CB 3.65Å; L389-L431 HydrophobicContact CD1-CB 4.24Å; L389-L431 HydrophobicContact CD1-CD1 4.46Å; L389-L434 HydrophobicContact CD1-CD1 3.39Å
390V93.1Very high89.2Confident0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-67.2-36.1-178.7173.90000111.4H386 H387 L393 L394 L431 F450 A453 W454H386-V390 WeakPolarHBondContact O-CG2 3.1Å; H386-V390 PolarHBondContact O-N 3.36Å; H387-V390 PolarHBondContact O-N 3.35Å; V390-L393 PolarHBondContact O-N 3.3Å; V390-L394 HydrophobicContact CG1-CD1 4.05Å; V390-L394 HydrophobicContact CG1-CG 4.41Å; V390-L394 WeakPolarHBondContact O-CB 3.39Å; V390-L394 VanDerWaalsContact O-CG 3.31Å; V390-L394 WeakPolarHBondContact O-CG 3.07Å; V390-L394 PolarHBondContact O-N 2.97Å; V390-L431 HydrophobicContact CG2-CD2 4.45Å; V390-F450 HydrophobicContact CG2-CD2 4.19Å; V390-F450 HydrophobicContact CG2-CE2 3.52Å; V390-F450 HydrophobicContact CG2-CZ 4.21Å; V390-A453 HydrophobicContact CG1-CB 3.79Å; V390-W454 HydrophobicContact CG2-CE3 4.14Å
391H90.8Very high88.9Confident34 Ų3432 Ų3216%0.15716%0.157CC..Hα-helixtrans-72.5-38.1175-84-86.7000113.4F279 P280 I283 H387 L389 L393 L394 N395F279-H391 HydrophobicContact CD1-CB 3.81Å; F279-H391 HydrophobicContact CE1-CB 4.02Å; P280-H391 WeakPolarHBondContact CD-ND1 3.3Å; I283-H391 HydrophobicContact CD1-CB 4.14Å; H387-H391 WeakPolarHBondContact O-CB 2.97Å; H387-H391 PolarHBondContact O-CD2 2.87Å; H387-H391 VanDerWaalsContact O-CD2 3.31Å; H387-H391 PolarHBondContact O-N 3.25Å; L389-H391 VanDerWaalsContact C-N 3.35Å; L389-H391 PolarHBondContact O-N 3.14Å; H391-L393 VanDerWaalsContact C-N 3.33Å; H391-L393 PolarHBondContact O-N 3.46Å; H391-L394 PolarHBondContact O-N 3.35Å; H391-N395 WeakPolarHBondContact O-CB 3.28Å; H391-N395 VanDerWaalsContact O-CG 3.22Å; H391-N395 PolarHBondContact O-N 3Å; H391-N395 PolarHBondContact O-ND2 2.93Å
392C89Confident88.5Confident0 Ų028.6 Ų28.60%015%0.147CC..Hα-helixtrans-57.1-46.9169.2-78.40000111.2A339 L388 L389 N395 M396 F427A339-C392 HydrophobicContact CB-CB 4.32Å; L388-C392 WeakPolarHBondContact O-CB 3.46Å; L388-C392 PolarHBondContact O-N 3.32Å; L388-C392 PolarHBondContact O-SG 3.22Å; L389-C392 PolarHBondContact O-N 2.86Å; C392-N395 PolarHBondContact O-N 3.26Å; C392-M396 WeakPolarHBondContact O-CG 3.47Å; C392-M396 PolarHBondContact O-N 3.38Å; C392-F427 HydrophobicContact CB-CD1 4.24Å
393L92.1Very high87.8Confident0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-64.7-44.5176.5-74.2169.8000112.4L389 V390 H391 N395 M396 L397 F424 F427 V428 L457L389-L393 WeakPolarHBondContact O-CG 3.47Å; L389-L393 PolarHBondContact O-N 3.15Å; V390-L393 PolarHBondContact O-N 3.3Å; H391-L393 VanDerWaalsContact C-N 3.33Å; H391-L393 PolarHBondContact O-N 3.46Å; L393-N395 VanDerWaalsContact C-N 3.3Å; L393-N395 PolarHBondContact O-N 3.1Å; L393-M396 PolarHBondContact O-N 2.75Å; L393-L397 WeakPolarHBondContact O-CB 3.3Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 3.26Å; L393-F424 HydrophobicContact CD2-CB 3.86Å; L393-F427 HydrophobicContact CD1-CB 4.27Å; L393-F427 HydrophobicContact CD2-CB 3.89Å; L393-F427 HydrophobicContact CG-CB 3.85Å; L393-V428 HydrophobicContact CD1-CG2 4.19Å; L393-V428 HydrophobicContact CD2-CG2 3.96Å; L393-L457 HydrophobicContact CB-CD1 3.66Å; L393-L457 HydrophobicContact CB-CD2 4.32Å; L393-L457 HydrophobicContact CD1-CD2 4.34Å
394L91.3Very high86.8Confident6 Ų631 Ų313%0.03116%0.155CC..Hα-helixtrans-57.8-42.1175.7-83.3167.8000112V390 H391 T398 A453 K456 L457 Y460V390-L394 HydrophobicContact CG1-CD1 4.05Å; V390-L394 HydrophobicContact CG1-CG 4.41Å; V390-L394 WeakPolarHBondContact O-CB 3.39Å; V390-L394 VanDerWaalsContact O-CG 3.31Å; V390-L394 WeakPolarHBondContact O-CG 3.07Å; V390-L394 PolarHBondContact O-N 2.97Å; H391-L394 PolarHBondContact O-N 3.35Å; L394-T398 WeakPolarHBondContact O-CB 3.44Å; L394-T398 PolarHBondContact O-N 3.42Å; L394-T398 PolarHBondContact O-OG1 3.47Å; L394-A453 HydrophobicContact CD1-CB 4.21Å; L394-K456 HydrophobicContact CD2-CD 4.47Å; L394-K456 HydrophobicContact CD2-CG 4.15Å; L394-L457 HydrophobicContact CB-CD1 4.42Å; L394-L457 HydrophobicContact CD2-CB 4.01Å; L394-L457 HydrophobicContact CD2-CD1 4Å; L394-L457 HydrophobicContact CG-CB 4.26Å; L394-L457 HydrophobicContact CG-CD1 3.86Å; L394-Y460 HydrophobicContact CD2-CD2 4.06Å; L394-Y460 HydrophobicContact CD2-CE2 3.87Å
395N86.6Confident85.7Confident24 Ų2430.4 Ų30.413%0.12815%0.152CC..Hα-helixtrans-68.8-44.1179.5-70.2-9.9000111.3F277 E278 H391 C392 L393 T398 C399F277-N395 HydrophobicContact CD1-CB 3.71Å; F277-N395 HydrophobicContact CE1-CB 3.9Å; E278-N395 PolarHBondContact O-ND2 2.86Å; H391-N395 WeakPolarHBondContact O-CB 3.28Å; H391-N395 VanDerWaalsContact O-CG 3.22Å; H391-N395 PolarHBondContact O-N 3Å; H391-N395 PolarHBondContact O-ND2 2.93Å; C392-N395 PolarHBondContact O-N 3.26Å; L393-N395 VanDerWaalsContact C-N 3.3Å; L393-N395 PolarHBondContact O-N 3.1Å; N395-T398 WeakPolarHBondContact O-CB 3.3Å; N395-T398 PolarHBondContact O-N 3.27Å; N395-C399 PolarHBondContact O-N 3.29Å
396M86.8Confident83.9Confident8 Ų837.9 Ų37.94%0.03919%0.192CC..Hα-helixtrans-60.8-46174.3-70.1-172.4-175.900112.4A339 V342 L343 C392 L393 T398 C399 V423 F427A339-M396 HydrophobicContact CB-CE 4Å; A339-M396 WeakPolarHBondContact O-CE 3.07Å; V342-M396 HydrophobicContact CG1-CE 4.43Å; L343-M396 HydrophobicContact CD1-CG 4.47Å; C392-M396 WeakPolarHBondContact O-CG 3.47Å; C392-M396 PolarHBondContact O-N 3.38Å; L393-M396 PolarHBondContact O-N 2.75Å; M396-T398 VanDerWaalsContact C-N 3.32Å; M396-T398 PolarHBondContact O-N 3.5Å; M396-C399 PolarHBondContact O-N 2.98Å; M396-V423 HydrophobicContact CE-CG1 4.46Å; M396-V423 HydrophobicContact SD-CG1 4.02Å; M396-F427 HydrophobicContact CE-CD2 3.99Å; M396-F427 HydrophobicContact CE-CE1 4.47Å; M396-F427 HydrophobicContact CE-CE2 3.35Å; M396-F427 HydrophobicContact CE-CZ 3.65Å; M396-F427 HydrophobicContact SD-CD2 3.96Å; M396-F427 HydrophobicContact SD-CE2 3.8Å
397L88.7Confident82.2Confident4 Ų444.5 Ų44.52%0.02122%0.216CC..Hα-helixtrans-65.7-34.2176.6-66.6-168000112L393 C399 C400 R401 L412 L457 Y460 M461 M488L393-L397 WeakPolarHBondContact O-CB 3.3Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 3.26Å; L397-C399 VanDerWaalsContact C-N 3.32Å; L397-C399 PolarHBondContact O-N 2.92Å; L397-C400 PolarHBondContact O-N 3.08Å; L397-R401 WeakPolarHBondContact O-CG 3.36Å; L397-L412 HydrophobicContact CB-CD1 3.97Å; L397-L412 HydrophobicContact CD2-CD1 4.08Å; L397-L412 HydrophobicContact CD2-CD2 3.91Å; L397-L412 WeakPolarHBondContact O-CD1 3.27Å; L397-L457 HydrophobicContact CD1-CD1 3.61Å; L397-L457 HydrophobicContact CD1-CG 4.16Å; L397-L457 HydrophobicContact CG-CD1 4.3Å; L397-Y460 HydrophobicContact CB-CD2 4.33Å; L397-M461 HydrophobicContact CD1-CG 4.03Å; L397-M488 HydrophobicContact CD2-SD 3.88Å
398T87.5Confident80.6Confident66 Ų6646.7 Ų46.741%0.40523%0.232SC..Hα-helixtrans-60.3-41176.2-61.90000111.5L394 N395 M396 C400 R401 Y460L394-T398 WeakPolarHBondContact O-CB 3.44Å; L394-T398 PolarHBondContact O-N 3.42Å; L394-T398 PolarHBondContact O-OG1 3.47Å; N395-T398 WeakPolarHBondContact O-CB 3.3Å; N395-T398 PolarHBondContact O-N 3.27Å; M396-T398 VanDerWaalsContact C-N 3.32Å; M396-T398 PolarHBondContact O-N 3.5Å; T398-C400 PolarHBondContact O-N 2.94Å; T398-C400 VanDerWaalsContact O-N 3.12Å; T398-R401 PolarHBondContact O-N 3.32Å; T398-Y460 WeakPolarHBondContact OG1-CE2 3.22Å
399C81.7Confident79.5Confident67 Ų6747.9 Ų47.945%0.45324%0.239SC..THydrogen-bonded Turntrans-65-8.9173.4-63.60000114.9R347 N395 M396 L397 L418R347-C399 PolarHBondContact NH2-SG 3.25Å; R347-C399 VanDerWaalsContact NH2-SG 3.35Å; N395-C399 PolarHBondContact O-N 3.29Å; M396-C399 PolarHBondContact O-N 2.98Å; L397-C399 VanDerWaalsContact C-N 3.32Å; L397-C399 PolarHBondContact O-N 2.92Å; C399-L418 HydrophobicContact CB-CD1 4.26Å
400C86.1Confident78.8Confident10 Ų1051.5 Ų51.57%0.06826%0.256CS..THydrogen-bonded Turntrans-111.710.7-179.7-67.20000113.6L397 T398 L412 S413 I419L397-C400 PolarHBondContact O-N 3.08Å; T398-C400 PolarHBondContact O-N 2.94Å; T398-C400 VanDerWaalsContact O-N 3.12Å; C400-L412 HydrophobicContact CB-CD1 3.66Å; C400-L412 HydrophobicContact CB-CG 4.25Å; C400-S413 PolarHBondContact O-N 2.91Å; C400-I419 HydrophobicContact CB-CD1 3.91Å; C400-I419 HydrophobicContact CB-CG1 4.42Å
401R86.5Confident78.4Confident77 Ų7752.3 Ų52.329%0.29126%0.261SS..EExtended strand (participates in β ladder)trans-83.8139.8-178.4-59-176.572.6-165.83.7112.7L397 T398 M410 V411 L412L397-R401 WeakPolarHBondContact O-CG 3.36Å; T398-R401 PolarHBondContact O-N 3.32Å; R401-M410 HydrophobicContact CB-CE 3.89Å; R401-M410 PolarHBondContact NE-O 3.36Å; R401-M410 PolarHBondContact NH2-O 3.03Å; R401-M410 WeakPolarHBondContact O-CE 3.48Å; R401-V411 CarbonylContact C-O 3.49Å; R401-V411 WeakPolarHBondContact CA-O 3.5Å; R401-L412 HydrophobicContact CG-CD1 4.27Å
402T80.7Confident78.2Confident61 Ų6150.8 Ų50.837%0.37425%0.254SS..EExtended strand (participates in β ladder)trans-136.5155.5178.755.10000110.9M410 V411T402-M410 CarbonylContact O-C 3.56Å; T402-M410 WeakPolarHBondContact O-CA 3.44Å; T402-V411 PolarHBondContact N-O 2.75Å; T402-V411 PolarHBondContact O-N 3.39Å
403R72.7Confident78.1Confident174 Ų17452.1 Ų52.166%0.65726%0.264SS*.EExtended strand (participates in β ladder)trans-65.8136.9174-69.9-176.5173.8167.4-3.3110.8S408 M410R403-S408 VanDerWaalsContact CZ-OG 3.26Å; R403-S408 PolarHBondContact NE-OG 3.07Å; R403-S408 VanDerWaalsContact NE-OG 3.11Å; R403-S408 PolarHBondContact NH2-OG 3.39Å; R403-M410 HydrophobicContact CB-SD 4.24Å; R403-M410 HydrophobicContact CG-SD 3.46Å; R403-M410 WeakPolarHBondContact CG-SD 3.18Å; R403-M410 PolarHBondContact N-SD 2.78Å
404L66.3Low77.8Confident50 Ų5052.2 Ų52.226%0.26226%0.264SS..SBendtrans-88.9-35.1169.6-179.665.4000111.6N409 V411 C466 L534L404-N409 HydrophobicContact CB-CB 4.39Å; L404-N409 VanDerWaalsContact CB-O 3.28Å; L404-N409 WeakPolarHBondContact CB-O 3.05Å; L404-N409 PolarHBondContact N-O 3.28Å; L404-V411 HydrophobicContact CB-CG1 3.92Å; L404-V411 HydrophobicContact CB-CG2 3.93Å; L404-V411 HydrophobicContact CD1-CG1 4.38Å; L404-V411 HydrophobicContact CD1-CG2 4.27Å; L404-V411 HydrophobicContact CD2-CG1 3.89Å; L404-V411 HydrophobicContact CG-CG1 4.29Å; L404-C466 HydrophobicContact CD1-CB 3.77Å; L404-L534 HydrophobicContact CD2-CD2 3.84Å
405D63.3Low77.3Confident35 Ų3555.3 Ų55.319%0.18728%0.281CS..SBendtrans-147.2170.8-174.863.212.9000112R407 S408 N409D405-R407 PolarHBondContact O-N 3.19Å; D405-R407 PolarHBondContact OD1-N 3.27Å; D405-S408 PolarHBondContact O-N 2.9Å; D405-S408 VanDerWaalsContact O-N 3.07Å; D405-S408 PolarHBondContact OD1-N 3.08Å; D405-N409 WeakPolarHBondContact OD1-CB 3.46Å; D405-N409 PolarHBondContact OD1-N 2.51Å; D405-N409 PolarHBondContact OD1-ND2 3.47Å; D405-N409 PolarHBondContact OD2-ND2 3.31Å
406D54.4Low76.9Confident158 Ų15855.3 Ų55.385%0.84529%0.287SS*.THydrogen-bonded Turntrans-64.6-21.4179-45.3-57.8000112.2S408D406-S408 PolarHBondContact O-N 3.39Å
407R56.1Low76.4Confident143 Ų14358.1 Ų58.154%0.5430%0.302SS..THydrogen-bonded Turntrans-76.68174.7-62.5-178.2172-138.1-9.2113.1D405 N409D405-R407 PolarHBondContact O-N 3.19Å; D405-R407 PolarHBondContact OD1-N 3.27Å; R407-N409 VanDerWaalsContact C-N 3.29Å; R407-N409 PolarHBondContact O-N 2.94Å
408S57.2Low76.1Confident50 Ų5058.6 Ų58.635%0.3530%0.304SS..  trans61.129.3177.4-61.70000114.7R403 D405 D406 M410R403-S408 VanDerWaalsContact CZ-OG 3.26Å; R403-S408 PolarHBondContact NE-OG 3.07Å; R403-S408 VanDerWaalsContact NE-OG 3.11Å; R403-S408 PolarHBondContact NH2-OG 3.39Å; D405-S408 PolarHBondContact O-N 2.9Å; D405-S408 VanDerWaalsContact O-N 3.07Å; D405-S408 PolarHBondContact OD1-N 3.08Å; D406-S408 PolarHBondContact O-N 3.39Å; S408-M410 PolarHBondContact O-N 2.6Å; S408-M410 VanDerWaalsContact O-N 3.09Å
409N66.5Low76Confident39 Ų3955.6 Ų55.621%0.20929%0.286CS..  trans-65.8110.2167.4-74-66.3000109.5L404 D405 R407L404-N409 HydrophobicContact CB-CB 4.39Å; L404-N409 VanDerWaalsContact CB-O 3.28Å; L404-N409 WeakPolarHBondContact CB-O 3.05Å; L404-N409 PolarHBondContact N-O 3.28Å; D405-N409 WeakPolarHBondContact OD1-CB 3.46Å; D405-N409 PolarHBondContact OD1-N 2.51Å; D405-N409 PolarHBondContact OD1-ND2 3.47Å; D405-N409 PolarHBondContact OD2-ND2 3.31Å; R407-N409 VanDerWaalsContact C-N 3.29Å; R407-N409 PolarHBondContact O-N 2.94Å
410M78.3Confident75.9Confident75 Ų7556 Ų5637%0.36928%0.281SS..EExtended strand (participates in β ladder)trans-91106.2-174.4-67.8-65.6-73.200112R401 T402 R403 S408R401-M410 HydrophobicContact CB-CE 3.89Å; R401-M410 PolarHBondContact NE-O 3.36Å; R401-M410 PolarHBondContact NH2-O 3.03Å; R401-M410 WeakPolarHBondContact O-CE 3.48Å; T402-M410 CarbonylContact O-C 3.56Å; T402-M410 WeakPolarHBondContact O-CA 3.44Å; R403-M410 HydrophobicContact CB-SD 4.24Å; R403-M410 HydrophobicContact CG-SD 3.46Å; R403-M410 WeakPolarHBondContact CG-SD 3.18Å; R403-M410 PolarHBondContact N-SD 2.78Å; S408-M410 PolarHBondContact O-N 2.6Å; S408-M410 VanDerWaalsContact O-N 3.09Å
411V83.7Confident75.6Confident17 Ų1756.2 Ų56.210%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-95.7177.1172.3-660000111.2R401 T402 L404 F463R401-V411 CarbonylContact C-O 3.49Å; R401-V411 WeakPolarHBondContact CA-O 3.5Å; T402-V411 PolarHBondContact N-O 2.75Å; T402-V411 PolarHBondContact O-N 3.39Å; L404-V411 HydrophobicContact CB-CG1 3.92Å; L404-V411 HydrophobicContact CB-CG2 3.93Å; L404-V411 HydrophobicContact CD1-CG1 4.38Å; L404-V411 HydrophobicContact CD1-CG2 4.27Å; L404-V411 HydrophobicContact CD2-CG1 3.89Å; L404-V411 HydrophobicContact CG-CG1 4.29Å; V411-F463 HydrophobicContact CG1-CB 4Å
412L87.8Confident75.3Confident2 Ų254.6 Ų54.61%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-94.1127.3175.8-162.681.7000111.9L397 C400 R401 I419 M464 M488L397-L412 HydrophobicContact CB-CD1 3.97Å; L397-L412 HydrophobicContact CD2-CD1 4.08Å; L397-L412 HydrophobicContact CD2-CD2 3.91Å; L397-L412 WeakPolarHBondContact O-CD1 3.27Å; C400-L412 HydrophobicContact CB-CD1 3.66Å; C400-L412 HydrophobicContact CB-CG 4.25Å; R401-L412 HydrophobicContact CG-CD1 4.27Å; L412-I419 HydrophobicContact CD1-CD1 4.45Å; L412-I419 HydrophobicContact CD2-CD1 3.58Å; L412-I419 HydrophobicContact CG-CD1 3.89Å; L412-M464 HydrophobicContact CB-CB 4.14Å; L412-M464 HydrophobicContact CD2-SD 4.45Å; L412-M464 WeakPolarHBondContact O-CB 3.45Å; L412-M488 HydrophobicContact CD2-CE 3.2Å; L412-M488 HydrophobicContact CD2-SD 3.75Å
413S85.5Confident75.6Confident29 Ų2951.9 Ų51.920%0.20326%0.261CS..  trans-87.1114.4171.5176.90000111.1C400 D415C400-S413 PolarHBondContact O-N 2.91Å; S413-D415 PolarHBondContact O-N 3.23Å; S413-D415 PolarHBondContact OG-N 3.12Å
414C85.5Confident76.4Confident1 Ų143.9 Ų43.91%0.00723%0.232CC..THydrogen-bonded Turntrans-82.64.8176.1-60.80000113.3I419 T481 H484 A485C414-I419 HydrophobicContact CB-CG2 4.39Å; C414-T481 HydrophobicContact CB-CG2 3.8Å; C414-H484 HydrophobicContact CB-CB 4.28Å; C414-A485 HydrophobicContact CB-CB 4.26Å
415D81Confident77.4Confident71 Ų7144.6 Ų44.638%0.3823%0.231SC..THydrogen-bonded Turntrans-88.6-9.8173.3-64.8-55.4000113.1S413 Q420 T481S413-D415 PolarHBondContact O-N 3.23Å; S413-D415 PolarHBondContact OG-N 3.12Å; D415-Q420 PolarHBondContact O-NE2 3.01Å; D415-Q420 VanDerWaalsContact O-NE2 3.14Å; D415-T481 WeakPolarHBondContact OD1-CB 3.44Å; D415-T481 VanDerWaalsContact OD1-CG2 3.31Å; D415-T481 WeakPolarHBondContact OD1-CG2 3.32Å; D415-T481 PolarHBondContact OD1-OG1 2.87Å; D415-T481 WeakPolarHBondContact OD2-CG2 3.36Å
416G78.7Confident78.7Confident25 Ų2543 Ų4326%0.25822%0.222SC..SBendtrans-65.8135.4174.900000112L418 I419 Q420G416-L418 PolarHBondContact O-N 3.07Å; G416-I419 PolarHBondContact O-N 3.27Å; G416-Q420 PolarHBondContact O-N 3.49Å; G416-Q420 VanDerWaalsContact O-N 3.12Å
417I77Confident80.6Confident67 Ų6735.4 Ų35.434%0.34418%0.182SC..Hα-helixtrans-51.4-28.1-179.4-166.9165.4000113.6A346 N421A346-I417 WeakPolarHBondContact O-CD1 3.47Å; I417-N421 VanDerWaalsContact O-CB 3.28Å; I417-N421 WeakPolarHBondContact O-CB 3.27Å; I417-N421 PolarHBondContact O-N 3.26Å
418L82.2Confident82.3Confident14 Ų1428.8 Ų28.87%0.07316%0.157CC..Hα-helixtrans-64.4-39.1176.3-56.7179.8000113L343 A346 R347 C399 G416 V423L343-L418 HydrophobicContact CD1-CD1 3.44Å; L343-L418 VanDerWaalsContact CD1-CD1 3.44Å; L343-L418 HydrophobicContact CD1-CD2 3.76Å; L343-L418 HydrophobicContact CD1-CG 4.22Å; A346-L418 HydrophobicContact CB-CD2 3.82Å; R347-L418 HydrophobicContact CG-CD2 4.08Å; C399-L418 HydrophobicContact CB-CD1 4.26Å; G416-L418 PolarHBondContact O-N 3.07Å; L418-V423 HydrophobicContact CB-CB 4.42Å; L418-V423 HydrophobicContact CB-CG2 4.31Å; L418-V423 HydrophobicContact CD2-CG1 4.49Å; L418-V423 HydrophobicContact CD2-CG2 4.19Å; L418-V423 WeakPolarHBondContact O-CB 3.3Å; L418-V423 WeakPolarHBondContact O-CG2 3.29Å; L418-V423 PolarHBondContact O-N 3.48Å
419I84.4Confident83.8Confident3 Ų327.3 Ų27.32%0.01515%0.147CC..Hα-helixtrans-83.9-36.3178.4-54.2-171.9000109.5C400 L412 C414 G416 N421 N422 F424 H484 M488C400-I419 HydrophobicContact CB-CD1 3.91Å; C400-I419 HydrophobicContact CB-CG1 4.42Å; L412-I419 HydrophobicContact CD1-CD1 4.45Å; L412-I419 HydrophobicContact CD2-CD1 3.58Å; L412-I419 HydrophobicContact CG-CD1 3.89Å; C414-I419 HydrophobicContact CB-CG2 4.39Å; G416-I419 PolarHBondContact O-N 3.27Å; I419-N421 VanDerWaalsContact C-N 3.33Å; I419-N421 PolarHBondContact O-N 3.21Å; I419-N422 PolarHBondContact O-N 3.42Å; I419-N422 VanDerWaalsContact O-N 3.13Å; I419-F424 HydrophobicContact CG2-CE1 3.99Å; I419-H484 HydrophobicContact CG2-CB 4.09Å; I419-M488 HydrophobicContact CD1-SD 4.12Å; I419-M488 HydrophobicContact CG2-SD 4.25Å
420Q80.5Confident85.1Confident76 Ų7625.4 Ų25.436%0.35514%0.137SC..Hα-helixtrans-59.4-41.1174.7-65-175.8-10.900112.8D415 G416 N422D415-Q420 PolarHBondContact O-NE2 3.01Å; D415-Q420 VanDerWaalsContact O-NE2 3.14Å; G416-Q420 PolarHBondContact O-N 3.49Å; G416-Q420 VanDerWaalsContact O-N 3.12Å; Q420-N422 VanDerWaalsContact C-N 3.29Å; Q420-N422 PolarHBondContact O-N 3.09Å
421N78.8Confident85.7Confident13 Ų1322 Ų227%0.0712%0.12CC..THydrogen-bonded Turntrans-85.67.9178.8-65.90.2000113.7P352 I417 I419 V423P352-N421 WeakPolarHBondContact CB-OD1 3.39Å; P352-N421 VanDerWaalsContact CG-OD1 3.26Å; P352-N421 WeakPolarHBondContact CG-OD1 3.18Å; I417-N421 VanDerWaalsContact O-CB 3.28Å; I417-N421 WeakPolarHBondContact O-CB 3.27Å; I417-N421 PolarHBondContact O-N 3.26Å; I419-N421 VanDerWaalsContact C-N 3.33Å; I419-N421 PolarHBondContact O-N 3.21Å; N421-V423 VanDerWaalsContact C-N 3.29Å; N421-V423 HydrophobicContact CB-CG2 4.11Å; N421-V423 PolarHBondContact O-N 2.88Å
422N81.6Confident85.9Confident43 Ų4322.8 Ų22.823%0.2313%0.126CC..THydrogen-bonded Turntrans52.240.9-178.1-53-69.4000113.8N359 I419 Q420 F424 W425N359-N422 PolarHBondContact ND2-O 3.38Å; I419-N422 PolarHBondContact O-N 3.42Å; I419-N422 VanDerWaalsContact O-N 3.13Å; Q420-N422 VanDerWaalsContact C-N 3.29Å; Q420-N422 PolarHBondContact O-N 3.09Å; N422-F424 HydrophobicContact CB-CZ 4.37Å; N422-F424 PolarHBondContact O-N 2.87Å; N422-W425 HydrophobicContact CB-CB 4.29Å; N422-W425 VanDerWaalsContact O-CB 3.25Å; N422-W425 WeakPolarHBondContact O-CB 3.23Å; N422-W425 PolarHBondContact O-N 2.98Å
423V85.6Confident85.8Confident4 Ų424 Ų242%0.02413%0.133CC..THydrogen-bonded Turntrans-59.5-29.2-176.2175.90000112.5V342 A346 M396 L418 N421 W425 F427V342-V423 HydrophobicContact CG1-CB 4.48Å; V342-V423 HydrophobicContact CG1-CG1 3.54Å; V342-V423 WeakPolarHBondContact CG1-O 3.41Å; A346-V423 HydrophobicContact CB-CG2 3.25Å; M396-V423 HydrophobicContact CE-CG1 4.46Å; M396-V423 HydrophobicContact SD-CG1 4.02Å; L418-V423 HydrophobicContact CB-CB 4.42Å; L418-V423 HydrophobicContact CB-CG2 4.31Å; L418-V423 HydrophobicContact CD2-CG1 4.49Å; L418-V423 HydrophobicContact CD2-CG2 4.19Å; L418-V423 WeakPolarHBondContact O-CB 3.3Å; L418-V423 WeakPolarHBondContact O-CG2 3.29Å; L418-V423 PolarHBondContact O-N 3.48Å; N421-V423 VanDerWaalsContact C-N 3.29Å; N421-V423 HydrophobicContact CB-CG2 4.11Å; N421-V423 PolarHBondContact O-N 2.88Å; V423-W425 VanDerWaalsContact C-N 3.28Å; V423-W425 PolarHBondContact O-N 3.22Å; V423-F427 WeakPolarHBondContact O-CE2 3.37Å
424F89.1Confident86.1Confident7 Ų722.6 Ų22.63%0.03112%0.123CC..THydrogen-bonded Turntrans-69.2-20.5176.457.7-96.9000114L393 I419 N422 F427 V428 M488 I492L393-F424 HydrophobicContact CD2-CB 3.86Å; I419-F424 HydrophobicContact CG2-CE1 3.99Å; N422-F424 HydrophobicContact CB-CZ 4.37Å; N422-F424 PolarHBondContact O-N 2.87Å; F424-F427 WeakPolarHBondContact O-CD2 3.47Å; F424-F427 PolarHBondContact O-N 3.48Å; F424-V428 HydrophobicContact CB-CG2 4.49Å; F424-V428 HydrophobicContact CD2-CG2 3.91Å; F424-V428 WeakPolarHBondContact O-CG2 3.44Å; F424-V428 PolarHBondContact O-N 3.37Å; F424-M488 HydrophobicContact CD1-CG 4.36Å; F424-M488 HydrophobicContact CD1-SD 4.5Å; F424-M488 HydrophobicContact CE1-CB 4.21Å; F424-M488 HydrophobicContact CE1-CG 4.02Å; F424-M488 HydrophobicContact CE1-SD 4.43Å; F424-M488 HydrophobicContact CE2-CB 4.42Å; F424-M488 HydrophobicContact CE2-CG 4.21Å; F424-M488 HydrophobicContact CZ-CB 3.89Å; F424-M488 HydrophobicContact CZ-CG 3.94Å; F424-I492 HydrophobicContact CD2-CD1 4.38Å; F424-I492 HydrophobicContact CD2-CG1 4.35Å
425W88Confident86.3Confident65 Ų6522.6 Ų22.625%0.24612%0.123CC..Hα-helixtrans-61.1-38.1-163-174.366.4000115.6N359 N360 V363 N422 V423 F427 V428 S429N359-W425 HydrophobicContact CB-CE3 4.25Å; N360-W425 VanDerWaalsContact OD1-CZ3 3.25Å; N360-W425 WeakPolarHBondContact OD1-CZ3 3.38Å; V363-W425 HydrophobicContact CB-CH2 4.34Å; V363-W425 HydrophobicContact CB-CZ3 4.11Å; V363-W425 HydrophobicContact CG1-CH2 4.13Å; V363-W425 HydrophobicContact CG1-CZ3 4.39Å; V363-W425 HydrophobicContact CG2-CD2 4.5Å; V363-W425 HydrophobicContact CG2-CE3 3.87Å; V363-W425 HydrophobicContact CG2-CH2 4.16Å; V363-W425 HydrophobicContact CG2-CZ3 3.68Å; N422-W425 HydrophobicContact CB-CB 4.29Å; N422-W425 VanDerWaalsContact O-CB 3.25Å; N422-W425 WeakPolarHBondContact O-CB 3.23Å; N422-W425 PolarHBondContact O-N 2.98Å; V423-W425 VanDerWaalsContact C-N 3.28Å; V423-W425 PolarHBondContact O-N 3.22Å; W425-F427 PolarHBondContact O-N 3.08Å; W425-V428 PolarHBondContact O-N 3.28Å; W425-S429 PolarHBondContact O-N 2.92Å
426P91.5Very high86.6Confident0 Ų021 Ų210%012%0.117CC..Hα-helixtrans-58.7-47.6176-25.135.6000113.3N359 I362 V363 V428 S429 D430N359-P426 HydrophobicContact CB-CG 3.82Å; I362-P426 HydrophobicContact CB-CB 4.3Å; I362-P426 HydrophobicContact CB-CG 4.45Å; I362-P426 HydrophobicContact CG2-CB 3.78Å; I362-P426 HydrophobicContact CG2-CG 4.4Å; V363-P426 HydrophobicContact CG2-CB 4.08Å; V363-P426 HydrophobicContact CG2-CG 4.41Å; P426-V428 VanDerWaalsContact C-N 3.25Å; P426-V428 PolarHBondContact O-N 3.43Å; P426-S429 WeakPolarHBondContact O-CB 3.26Å; P426-S429 PolarHBondContact O-N 2.83Å; P426-D430 VanDerWaalsContact O-CG 3.25Å; P426-D430 PolarHBondContact O-N 3.42Å; P426-D430 VanDerWaalsContact O-OD1 3.14Å
427F93.6Very high87Confident0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-66.1-29.6-178.7-43.1-76.3000112.2Y335 A339 V342 L389 C392 L393 M396 V423 F424 W425 L431Y335-F427 AromaticContact CE1-CD1 3.66Å; Y335-F427 HydrophobicContact CE1-CD1 3.66Å; Y335-F427 AromaticContact CE1-CE1 3.85Å; Y335-F427 HydrophobicContact CE1-CE1 3.85Å; Y335-F427 AromaticContact CZ-CD1 3.82Å; Y335-F427 VanDerWaalsContact OH-CD1 3.27Å; Y335-F427 WeakPolarHBondContact OH-CD1 3.49Å; A339-F427 HydrophobicContact CB-CE1 3.89Å; A339-F427 HydrophobicContact CB-CZ 4.06Å; V342-F427 HydrophobicContact CB-CE2 4.49Å; V342-F427 HydrophobicContact CB-CZ 4.24Å; V342-F427 HydrophobicContact CG1-CE2 3.91Å; V342-F427 HydrophobicContact CG1-CZ 4.15Å; V342-F427 HydrophobicContact CG2-CZ 4.37Å; L389-F427 HydrophobicContact CD2-CB 4.29Å; C392-F427 HydrophobicContact CB-CD1 4.24Å; L393-F427 HydrophobicContact CD1-CB 4.27Å; L393-F427 HydrophobicContact CD2-CB 3.89Å; L393-F427 HydrophobicContact CG-CB 3.85Å; M396-F427 HydrophobicContact CE-CD2 3.99Å; M396-F427 HydrophobicContact CE-CE1 4.47Å; M396-F427 HydrophobicContact CE-CE2 3.35Å; M396-F427 HydrophobicContact CE-CZ 3.65Å; M396-F427 HydrophobicContact SD-CD2 3.96Å; M396-F427 HydrophobicContact SD-CE2 3.8Å; V423-F427 WeakPolarHBondContact O-CE2 3.37Å; F424-F427 WeakPolarHBondContact O-CD2 3.47Å; F424-F427 PolarHBondContact O-N 3.48Å; W425-F427 PolarHBondContact O-N 3.08Å; F427-L431 WeakPolarHBondContact O-CB 3.39Å; F427-L431 PolarHBondContact O-N 3.31Å
428V91.3Very high87.7Confident3 Ų320.2 Ų20.22%0.01811%0.105CC..Hα-helixtrans-75.4-42.4174.3179.20000111.6L393 F424 W425 P426 D430 L431 S432 E491 I492L393-V428 HydrophobicContact CD1-CG2 4.19Å; L393-V428 HydrophobicContact CD2-CG2 3.96Å; F424-V428 HydrophobicContact CB-CG2 4.49Å; F424-V428 HydrophobicContact CD2-CG2 3.91Å; F424-V428 WeakPolarHBondContact O-CG2 3.44Å; F424-V428 PolarHBondContact O-N 3.37Å; W425-V428 PolarHBondContact O-N 3.28Å; P426-V428 VanDerWaalsContact C-N 3.25Å; P426-V428 PolarHBondContact O-N 3.43Å; V428-D430 VanDerWaalsContact C-N 3.3Å; V428-D430 PolarHBondContact O-N 3.38Å; V428-L431 PolarHBondContact O-N 3.45Å; V428-S432 WeakPolarHBondContact O-CB 3.34Å; V428-S432 PolarHBondContact O-N 3.49Å; V428-E491 HydrophobicContact CG1-CB 4.09Å; V428-E491 VanDerWaalsContact CG1-O 3.26Å; V428-E491 WeakPolarHBondContact CG1-O 3.36Å; V428-I492 HydrophobicContact CG2-CD1 4.35Å; V428-I492 HydrophobicContact CG2-CG1 3.66Å
429S89.5Confident88.1Confident19 Ų1921.2 Ų21.213%0.13311%0.112CC..Hα-helixtrans-58.6-45.2173.4178.50000110.8V363 W425 P426 S432 N433V363-S429 WeakPolarHBondContact CG1-OG 3.46Å; W425-S429 PolarHBondContact O-N 2.92Å; P426-S429 WeakPolarHBondContact O-CB 3.26Å; P426-S429 PolarHBondContact O-N 2.83Å; S429-S432 PolarHBondContact O-N 2.97Å; S429-N433 VanDerWaalsContact O-CG 3.31Å; S429-N433 PolarHBondContact O-N 3.2Å; S429-N433 PolarHBondContact O-ND2 3.24Å; S429-N433 VanDerWaalsContact O-ND2 3.14Å
430D92.7Very high88.6Confident0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-61.9-49.9177.9-67.86.8000111.1Y335 S366 F370 L389 P426 V428 S432 N433 L434Y335-D430 WeakPolarHBondContact CE2-OD2 3.43Å; Y335-D430 PolarHBondContact OH-OD2 3.36Å; S366-D430 WeakPolarHBondContact CB-OD1 3.39Å; S366-D430 PolarHBondContact OG-OD1 2.86Å; F370-D430 HydrophobicContact CD2-CB 4.13Å; F370-D430 HydrophobicContact CE2-CB 4.31Å; L389-D430 HydrophobicContact CD1-CB 4.12Å; L389-D430 HydrophobicContact CD2-CB 3.65Å; P426-D430 VanDerWaalsContact O-CG 3.25Å; P426-D430 PolarHBondContact O-N 3.42Å; P426-D430 VanDerWaalsContact O-OD1 3.14Å; V428-D430 VanDerWaalsContact C-N 3.3Å; V428-D430 PolarHBondContact O-N 3.38Å; D430-S432 VanDerWaalsContact C-N 3.31Å; D430-S432 PolarHBondContact O-N 3.19Å; D430-N433 PolarHBondContact O-N 2.88Å; D430-L434 WeakPolarHBondContact O-CG 3.4Å; D430-L434 PolarHBondContact O-N 3.46Å; D430-L434 VanDerWaalsContact O-N 3.08Å
431L92.1Very high89.2Confident2 Ų217.4 Ų17.41%0.0110%0.095CC..Hα-helixtrans-60-41.1176.3-176.462.9000112L389 V390 F427 V428 L434 V435 W454L389-L431 HydrophobicContact CD1-CB 4.24Å; L389-L431 HydrophobicContact CD1-CD1 4.46Å; V390-L431 HydrophobicContact CG2-CD2 4.45Å; F427-L431 WeakPolarHBondContact O-CB 3.39Å; F427-L431 PolarHBondContact O-N 3.31Å; V428-L431 PolarHBondContact O-N 3.45Å; L431-L434 PolarHBondContact O-N 2.98Å; L431-V435 HydrophobicContact CD1-CG1 4.21Å; L431-V435 WeakPolarHBondContact O-CG2 3.17Å; L431-V435 PolarHBondContact O-N 2.82Å; L431-W454 HydrophobicContact CD2-CE3 4.19Å; L431-W454 HydrophobicContact CD2-CH2 4.22Å; L431-W454 HydrophobicContact CD2-CZ3 3.53Å
432S86.8Confident90Very high34 Ų3418.4 Ų18.424%0.23810%0.1CC..Hα-helixtrans-63.8-40.3179.2-169.10000112.3V428 S429 D430 S436V428-S432 WeakPolarHBondContact O-CB 3.34Å; V428-S432 PolarHBondContact O-N 3.49Å; S429-S432 PolarHBondContact O-N 2.97Å; D430-S432 VanDerWaalsContact C-N 3.31Å; D430-S432 PolarHBondContact O-N 3.19Å; S432-S436 WeakPolarHBondContact O-CB 3.37Å; S432-S436 PolarHBondContact O-N 2.72Å; S432-S436 VanDerWaalsContact O-N 3.15Å
433N86.6Confident90.6Very high28 Ų2818.5 Ų18.515%0.1510%0.1CC..Hα-helixtrans-61.6-49.2172.3-69-36.5000110.8F370 S429 D430 V435 S436 H437F370-N433 HydrophobicContact CB-CB 4.29Å; S429-N433 VanDerWaalsContact O-CG 3.31Å; S429-N433 PolarHBondContact O-N 3.2Å; S429-N433 PolarHBondContact O-ND2 3.24Å; S429-N433 VanDerWaalsContact O-ND2 3.14Å; D430-N433 PolarHBondContact O-N 2.88Å; N433-V435 PolarHBondContact O-N 3.15Å; N433-S436 VanDerWaalsContact O-CB 3.32Å; N433-S436 WeakPolarHBondContact O-CB 3.03Å; N433-S436 PolarHBondContact O-N 2.98Å; N433-S436 VanDerWaalsContact O-N 3.15Å; N433-S436 PolarHBondContact O-OG 2.79Å; N433-H437 PolarHBondContact O-CD2 2.85Å
434L91.3Very high91Very high0 Ų018.3 Ų18.30%010%0.099CC..Hα-helixtrans-59.3-48.5178.6-63.9178000112.3F370 A376 I380 L385 L389 D430 L431 S436 H437 I440F370-L434 HydrophobicContact CB-CD2 4.14Å; F370-L434 HydrophobicContact CG-CD2 4.42Å; A376-L434 HydrophobicContact CB-CD2 3.67Å; I380-L434 HydrophobicContact CD1-CB 4.43Å; I380-L434 HydrophobicContact CD1-CD1 4.17Å; I380-L434 HydrophobicContact CD1-CD2 4.18Å; I380-L434 HydrophobicContact CD1-CG 4.49Å; I380-L434 HydrophobicContact CG1-CD1 4.48Å; L385-L434 HydrophobicContact CD2-CD1 3.83Å; L385-L434 HydrophobicContact CD2-CD2 4.36Å; L385-L434 HydrophobicContact CG-CD1 4.02Å; L389-L434 HydrophobicContact CD1-CD1 3.39Å; D430-L434 WeakPolarHBondContact O-CG 3.4Å; D430-L434 PolarHBondContact O-N 3.46Å; D430-L434 VanDerWaalsContact O-N 3.08Å; L431-L434 PolarHBondContact O-N 2.98Å; L434-S436 PolarHBondContact O-N 2.68Å; L434-H437 PolarHBondContact O-N 3.09Å; L434-I440 HydrophobicContact CB-CG2 4.26Å; L434-I440 HydrophobicContact CD2-CD1 4.23Å; L434-I440 WeakPolarHBondContact O-CB 3.5Å; L434-I440 VanDerWaalsContact O-CG2 3.26Å; L434-I440 WeakPolarHBondContact O-CG2 3.46Å
435V90.8Very high91.3Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-73.5-4.6179.7-59.30000114L431 N433 H437 V441 L444 T496 N499 F500L431-V435 HydrophobicContact CD1-CG1 4.21Å; L431-V435 WeakPolarHBondContact O-CG2 3.17Å; L431-V435 PolarHBondContact O-N 2.82Å; N433-V435 PolarHBondContact O-N 3.15Å; V435-H437 PolarHBondContact O-N 3.15Å; V435-V441 HydrophobicContact CB-CG2 3.97Å; V435-V441 HydrophobicContact CG1-CG2 4.45Å; V435-V441 VanDerWaalsContact O-CG2 3.27Å; V435-V441 WeakPolarHBondContact O-CG2 3.44Å; V435-L444 HydrophobicContact CG1-CD1 3.78Å; V435-T496 HydrophobicContact CG1-CG2 4.4Å; V435-T496 HydrophobicContact CG2-CG2 4.13Å; V435-N499 HydrophobicContact CB-CB 4.19Å; V435-N499 HydrophobicContact CG2-CB 3.65Å; V435-N499 WeakPolarHBondContact O-CB 3.42Å; V435-F500 HydrophobicContact CG1-CE2 4.03Å; V435-F500 HydrophobicContact CG1-CZ 3.97Å
436S85.6Confident91.6Very high38 Ų3820.8 Ų20.827%0.26611%0.113SC..THydrogen-bonded Turntrans-74-16175.182.10000113.5S432 N433 L434 K502 H503S432-S436 WeakPolarHBondContact O-CB 3.37Å; S432-S436 PolarHBondContact O-N 2.72Å; S432-S436 VanDerWaalsContact O-N 3.15Å; N433-S436 VanDerWaalsContact O-CB 3.32Å; N433-S436 WeakPolarHBondContact O-CB 3.03Å; N433-S436 PolarHBondContact O-N 2.98Å; N433-S436 VanDerWaalsContact O-N 3.15Å; N433-S436 PolarHBondContact O-OG 2.79Å; L434-S436 PolarHBondContact O-N 2.68Å; S436-K502 PolarHBondContact O-NZ 3.34Å; S436-H503 PolarHBondContact O-NE2 3.48Å; S436-H503 VanDerWaalsContact O-NE2 3.1Å
437H88.7Confident91.8Very high22 Ų2222.5 Ų22.510%0.10212%0.122CC..SBendtrans-99.6137-179.2-61.9-66.4000111.6S371 E373 N433 L434 V435 I440 V441S371-H437 PolarHBondContact O-CE1 3.3Å; S371-H437 PolarHBondContact O-NE2 3.45Å; E373-H437 HydrophobicContact CB-CB 4.47Å; E373-H437 WeakPolarHBondContact CB-ND1 3.45Å; E373-H437 HydrophobicContact CG-CB 3.93Å; E373-H437 PolarHBondContact N-CE1 3.38Å; E373-H437 IonicContact OE2-ND1 3.61Å; N433-H437 PolarHBondContact O-CD2 2.85Å; L434-H437 PolarHBondContact O-N 3.09Å; V435-H437 PolarHBondContact O-N 3.15Å; H437-I440 HydrophobicContact CB-CB 4.26Å; H437-I440 HydrophobicContact CB-CD1 4.03Å; H437-I440 HydrophobicContact CB-CG1 4.23Å; H437-V441 PolarHBondContact O-N 3.35Å
438K90.1Very high91.7Very high54 Ų5426 Ų2624%0.23515%0.152CC..Hα-helixtrans-69-48.4-177.4175.7157.3164.943.30111.5I440 V441 D442 H503 E509K438-I440 PolarHBondContact O-N 3.01Å; K438-V441 PolarHBondContact O-N 2.8Å; K438-D442 WeakPolarHBondContact CG-OD2 3.07Å; K438-D442 IonicContact NZ-OD1 2.7Å; K438-D442 PolarHBondContact NZ-OD1 3.45Å; K438-D442 IonicContact NZ-OD2 2.73Å; K438-D442 PolarHBondContact NZ-OD2 2.99Å; K438-D442 PolarHBondContact O-N 2.94Å; K438-H503 VanDerWaalsContact CA-CE1 3.41Å; K438-H503 WeakPolarHBondContact CA-CE1 3.24Å; K438-H503 WeakPolarHBondContact CB-CE1 3.42Å; K438-H503 WeakPolarHBondContact CB-ND1 3.25Å; K438-H503 VanDerWaalsContact CD-CE1 3.5Å; K438-H503 WeakPolarHBondContact CD-CE1 3.25Å; K438-H503 VanDerWaalsContact CG-CE1 3.4Å; K438-H503 WeakPolarHBondContact CG-CE1 3.39Å; K438-H503 PolarHBondContact N-NE2 3.5Å; K438-E509 VanDerWaalsContact CE-CD 3.46Å; K438-E509 WeakPolarHBondContact CE-OE1 3.46Å; K438-E509 WeakPolarHBondContact CE-OE2 3.25Å; K438-E509 IonicContact NZ-OE1 2.69Å; K438-E509 IonicContact NZ-OE2 3.32Å; K438-E509 PolarHBondContact NZ-OE2 2.71Å
439S92.2Very high91.8Very high34 Ų3431.5 Ų31.524%0.23818%0.181CC..Hα-helixtrans-61.1-23.6-174.563.80000113.1E373 I443E373-S439 WeakPolarHBondContact CG-OG 3.45Å; E373-S439 VanDerWaalsContact OE1-CB 3.27Å; E373-S439 WeakPolarHBondContact OE1-CB 3.45Å; E373-S439 PolarHBondContact OE1-N 2.81Å; E373-S439 VanDerWaalsContact OE1-N 3.13Å; E373-S439 PolarHBondContact OE1-OG 3.11Å; S439-I443 WeakPolarHBondContact O-CD1 3.33Å; S439-I443 WeakPolarHBondContact O-CG1 3.3Å
440I93.9Very high92Very high0 Ų030.6 Ų30.60%017%0.174CC..Hα-helixtrans-79.1-54.1172.5-68.6178.3000110.7A376 L377 I380 L434 H437 K438 D442 I443 L444A376-I440 HydrophobicContact CB-CD1 3.47Å; A376-I440 VanDerWaalsContact CB-CD1 3.47Å; L377-I440 HydrophobicContact CB-CG1 4.43Å; L377-I440 HydrophobicContact CD1-CG1 4.22Å; I380-I440 HydrophobicContact CD1-CB 4.2Å; I380-I440 HydrophobicContact CD1-CD1 3.95Å; I380-I440 HydrophobicContact CD1-CG1 3.97Å; I380-I440 HydrophobicContact CD1-CG2 3.31Å; L434-I440 HydrophobicContact CB-CG2 4.26Å; L434-I440 HydrophobicContact CD2-CD1 4.23Å; L434-I440 WeakPolarHBondContact O-CB 3.5Å; L434-I440 VanDerWaalsContact O-CG2 3.26Å; L434-I440 WeakPolarHBondContact O-CG2 3.46Å; H437-I440 HydrophobicContact CB-CB 4.26Å; H437-I440 HydrophobicContact CB-CD1 4.03Å; H437-I440 HydrophobicContact CB-CG1 4.23Å; K438-I440 PolarHBondContact O-N 3.01Å; I440-D442 PolarHBondContact O-N 2.91Å; I440-I443 PolarHBondContact O-N 3.45Å; I440-L444 HydrophobicContact CG2-CD1 3.71Å; I440-L444 HydrophobicContact CG2-CG 4Å; I440-L444 WeakPolarHBondContact O-CG 3.43Å; I440-L444 PolarHBondContact O-N 3.39Å
441V94.1Very high92.1Very high0 Ų031 Ų310%018%0.177CC..Hα-helixtrans-53.3-39.4179.2163.20000112.1V435 H437 K438 I443 L444 V445 F500 H503V435-V441 HydrophobicContact CB-CG2 3.97Å; V435-V441 HydrophobicContact CG1-CG2 4.45Å; V435-V441 VanDerWaalsContact O-CG2 3.27Å; V435-V441 WeakPolarHBondContact O-CG2 3.44Å; H437-V441 PolarHBondContact O-N 3.35Å; K438-V441 PolarHBondContact O-N 2.8Å; V441-I443 PolarHBondContact O-N 3.33Å; V441-L444 PolarHBondContact O-N 3.36Å; V441-V445 HydrophobicContact CG1-CG2 4.28Å; V441-V445 VanDerWaalsContact O-CG2 3.27Å; V441-V445 WeakPolarHBondContact O-CG2 3.2Å; V441-V445 PolarHBondContact O-N 3.29Å; V441-F500 HydrophobicContact CB-CD1 4.47Å; V441-F500 HydrophobicContact CB-CE1 4.46Å; V441-F500 HydrophobicContact CG1-CD1 3.59Å; V441-F500 HydrophobicContact CG1-CE1 3.92Å; V441-F500 HydrophobicContact CG2-CD1 4.21Å; V441-F500 HydrophobicContact CG2-CE1 4.2Å; V441-H503 HydrophobicContact CB-CB 4.26Å; V441-H503 HydrophobicContact CG1-CB 3.86Å
442D94.3Very high92.2Very high33 Ų3334.5 Ų34.518%0.17620%0.201CC..Hα-helixtrans-59.7-47.4178.5-59.9-18.7000111.3K438 I440 V445 E446K438-D442 WeakPolarHBondContact CG-OD2 3.07Å; K438-D442 IonicContact NZ-OD1 2.7Å; K438-D442 PolarHBondContact NZ-OD1 3.45Å; K438-D442 IonicContact NZ-OD2 2.73Å; K438-D442 PolarHBondContact NZ-OD2 2.99Å; K438-D442 PolarHBondContact O-N 2.94Å; I440-D442 PolarHBondContact O-N 2.91Å; D442-V445 PolarHBondContact O-N 3.49Å; D442-E446 WeakPolarHBondContact O-CG 3.2Å; D442-E446 PolarHBondContact O-N 3.25Å; D442-E446 VanDerWaalsContact O-N 3.11Å
443I94.2Very high92.6Very high45 Ų4533.3 Ų33.323%0.23119%0.193CC..Hα-helixtrans-63.7-43.2175.5-65.8171.1000111.3L377 I380 K381 S439 I440 V441 V445 E446 D447L377-I443 HydrophobicContact CD1-CD1 3.52Å; I380-I443 HydrophobicContact CG2-CG2 4.45Å; K381-I443 HydrophobicContact CG-CD1 4.43Å; S439-I443 WeakPolarHBondContact O-CD1 3.33Å; S439-I443 WeakPolarHBondContact O-CG1 3.3Å; I440-I443 PolarHBondContact O-N 3.45Å; V441-I443 PolarHBondContact O-N 3.33Å; I443-V445 PolarHBondContact O-N 2.72Å; I443-E446 PolarHBondContact O-N 2.69Å; I443-D447 WeakPolarHBondContact O-CB 3.22Å; I443-D447 PolarHBondContact O-N 2.95Å
444L94.5Very high93Very high0 Ų032 Ų320%019%0.186CC..Hα-helixtrans-64.5-24.2179.5-64.4-178.1000113.3H386 V435 I440 V441 F450 F500H386-L444 HydrophobicContact CB-CD2 3.33Å; H386-L444 WeakPolarHBondContact CD2-CD2 3.42Å; H386-L444 VanDerWaalsContact CG-CD2 3.41Å; V435-L444 HydrophobicContact CG1-CD1 3.78Å; I440-L444 HydrophobicContact CG2-CD1 3.71Å; I440-L444 HydrophobicContact CG2-CG 4Å; I440-L444 WeakPolarHBondContact O-CG 3.43Å; I440-L444 PolarHBondContact O-N 3.39Å; V441-L444 PolarHBondContact O-N 3.36Å; L444-F450 HydrophobicContact CB-CD1 3.98Å; L444-F450 HydrophobicContact CB-CE1 3.82Å; L444-F450 HydrophobicContact CB-CZ 4.38Å; L444-F450 HydrophobicContact CD1-CE1 4.32Å; L444-F450 HydrophobicContact CD1-CZ 4.09Å; L444-F450 HydrophobicContact CD2-CD1 4.26Å; L444-F450 HydrophobicContact CD2-CD2 4.11Å; L444-F450 HydrophobicContact CD2-CE1 4.26Å; L444-F450 HydrophobicContact CD2-CE2 4.08Å; L444-F450 HydrophobicContact CD2-CG 4.19Å; L444-F450 HydrophobicContact CD2-CZ 4.17Å; L444-F450 HydrophobicContact CG-CE1 4.35Å; L444-F450 HydrophobicContact CG-CZ 4.44Å; L444-F450 WeakPolarHBondContact O-CD1 3.27Å; L444-F500 HydrophobicContact CB-CE1 4.3Å; L444-F500 HydrophobicContact CB-CZ 4.44Å; L444-F500 HydrophobicContact CD1-CZ 4.35Å
445V94.9Very high93.2Very high2 Ų232 Ų321%0.01219%0.187CC..Hα-helixtrans-91.8-20.2177.9176.30000112.1V441 D442 I443 L451 F500 H512 L515 Y516V441-V445 HydrophobicContact CG1-CG2 4.28Å; V441-V445 VanDerWaalsContact O-CG2 3.27Å; V441-V445 WeakPolarHBondContact O-CG2 3.2Å; V441-V445 PolarHBondContact O-N 3.29Å; D442-V445 PolarHBondContact O-N 3.49Å; I443-V445 PolarHBondContact O-N 2.72Å; V445-L451 WeakPolarHBondContact O-CD1 3.25Å; V445-F500 HydrophobicContact CG2-CD1 3.87Å; V445-F500 HydrophobicContact CG2-CE1 3.71Å; V445-H512 HydrophobicContact CB-CB 4.34Å; V445-H512 HydrophobicContact CG1-CB 3.78Å; V445-H512 WeakPolarHBondContact CG1-O 3.39Å; V445-L515 HydrophobicContact CG1-CB 3.7Å; V445-L515 HydrophobicContact CG1-CD1 4.33Å; V445-Y516 HydrophobicContact CG2-CD2 4.09Å
446E95.2Very high93.4Very high123 Ų12336.8 Ų36.858%0.57521%0.207SC*.Hα-helixtrans-82-26.8168.9-70.9170.6-163.100112.2D442 I443 A448 H512D442-E446 WeakPolarHBondContact O-CG 3.2Å; D442-E446 PolarHBondContact O-N 3.25Å; D442-E446 VanDerWaalsContact O-N 3.11Å; I443-E446 PolarHBondContact O-N 2.69Å; E446-A448 PolarHBondContact O-N 3.07Å; E446-H512 IonicContact OE1-CD2 3.76Å; E446-H512 IonicContact OE1-CE1 3.77Å; E446-H512 IonicContact OE1-NE2 2.73Å; E446-H512 PolarHBondContact OE1-NE2 3.12Å
447D94.6Very high93.8Very high35 Ų3535 Ų3519%0.18719%0.194CC..  trans-7597.2174.9-172.4-26.8000111.9H386 H387 I443 D449 F450 L451H386-D447 IonicContact CD2-OD2 2.91Å; H386-D447 IonicContact CE1-OD2 3.76Å; H386-D447 IonicContact NE2-OD2 3.76Å; H386-D447 PolarHBondContact NE2-OD2 3.28Å; H387-D447 IonicContact CD2-OD2 2.69Å; H387-D447 IonicContact CE1-OD1 2.61Å; H387-D447 IonicContact CE1-OD2 3.32Å; H387-D447 IonicContact NE2-OD1 3.78Å; H387-D447 PolarHBondContact NE2-OD1 2.94Å; H387-D447 IonicContact NE2-OD2 3.75Å; H387-D447 PolarHBondContact NE2-OD2 3.46Å; I443-D447 WeakPolarHBondContact O-CB 3.22Å; I443-D447 PolarHBondContact O-N 2.95Å; D447-D449 VanDerWaalsContact C-N 3.33Å; D447-D449 PolarHBondContact O-N 3.43Å; D447-D449 PolarHBondContact OD1-N 3.03Å; D447-D449 VanDerWaalsContact OD1-N 3.15Å; D447-F450 HydrophobicContact CB-CB 3.89Å; D447-F450 VanDerWaalsContact CG-CB 3.48Å; D447-F450 PolarHBondContact O-N 3Å; D447-F450 PolarHBondContact OD1-N 2.73Å; D447-L451 PolarHBondContact O-N 2.95Å
448A93.1Very high94.2Very high74 Ų7434 Ų3461%0.61219%0.19SC*.Hα-helixtrans-64.8-31.8-178.800000113.8E446 S452E446-A448 PolarHBondContact O-N 3.07Å; A448-S452 WeakPolarHBondContact O-CB 3.35Å; A448-S452 PolarHBondContact O-N 3.44Å
449D92.3Very high94.3Very high118 Ų11835.6 Ų35.663%0.63120%0.195SC*.Hα-helixtrans-72.9-40.7178.1-74.5-38.8000110.4D447 S452 A453D447-D449 VanDerWaalsContact C-N 3.33Å; D447-D449 PolarHBondContact O-N 3.43Å; D447-D449 PolarHBondContact OD1-N 3.03Å; D447-D449 VanDerWaalsContact OD1-N 3.15Å; D449-S452 WeakPolarHBondContact O-CB 3.34Å; D449-S452 PolarHBondContact O-N 2.95Å; D449-A453 WeakPolarHBondContact O-CB 3.2Å; D449-A453 PolarHBondContact O-N 3.49Å
450F94Very high94.2Very high0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-61.9-47.2172.1171.3-89.2000110.7H386 H387 V390 L444 D447 S452 A453 W454 F500H386-F450 HydrophobicContact CB-CD2 3.91Å; H386-F450 HydrophobicContact CB-CE2 3.9Å; H386-F450 AromaticContact CD2-CD2 3.54Å; H386-F450 AromaticContact CD2-CG 3.85Å; H387-F450 PolarHBondContact CE1-N 2.94Å; H387-F450 VanDerWaalsContact CE1-N 3.3Å; V390-F450 HydrophobicContact CG2-CD2 4.19Å; V390-F450 HydrophobicContact CG2-CE2 3.52Å; V390-F450 HydrophobicContact CG2-CZ 4.21Å; L444-F450 HydrophobicContact CB-CD1 3.98Å; L444-F450 HydrophobicContact CB-CE1 3.82Å; L444-F450 HydrophobicContact CB-CZ 4.38Å; L444-F450 HydrophobicContact CD1-CE1 4.32Å; L444-F450 HydrophobicContact CD1-CZ 4.09Å; L444-F450 HydrophobicContact CD2-CD1 4.26Å; L444-F450 HydrophobicContact CD2-CD2 4.11Å; L444-F450 HydrophobicContact CD2-CE1 4.26Å; L444-F450 HydrophobicContact CD2-CE2 4.08Å; L444-F450 HydrophobicContact CD2-CG 4.19Å; L444-F450 HydrophobicContact CD2-CZ 4.17Å; L444-F450 HydrophobicContact CG-CE1 4.35Å; L444-F450 HydrophobicContact CG-CZ 4.44Å; L444-F450 WeakPolarHBondContact O-CD1 3.27Å; D447-F450 HydrophobicContact CB-CB 3.89Å; D447-F450 VanDerWaalsContact CG-CB 3.48Å; D447-F450 PolarHBondContact O-N 3Å; D447-F450 PolarHBondContact OD1-N 2.73Å; F450-S452 VanDerWaalsContact C-N 3.28Å; F450-S452 PolarHBondContact O-N 3.32Å; F450-A453 PolarHBondContact O-N 2.86Å; F450-W454 HydrophobicContact CD1-CB 4.43Å; F450-W454 HydrophobicContact CE1-CB 4.06Å; F450-W454 HydrophobicContact CE1-CG 4.35Å; F450-W454 HydrophobicContact CZ-CB 4.28Å; F450-W454 WeakPolarHBondContact O-CB 3.46Å; F450-W454 PolarHBondContact O-N 2.91Å; F450-F500 HydrophobicContact CE1-CZ 4.09Å; F450-F500 HydrophobicContact CZ-CZ 4.47Å
451L95.5Very high94.1Very high10 Ų1035.6 Ų35.65%0.05219%0.19CC..Hα-helixtrans-58.7-41.6177.5-76.1-175.7000111.6V445 D447 W454 T455 Y516 A519V445-L451 WeakPolarHBondContact O-CD1 3.25Å; D447-L451 PolarHBondContact O-N 2.95Å; L451-W454 PolarHBondContact O-N 3.48Å; L451-T455 WeakPolarHBondContact O-CG2 3.36Å; L451-T455 PolarHBondContact O-N 3.44Å; L451-T455 PolarHBondContact O-OG1 3.43Å; L451-Y516 HydrophobicContact CD2-CD2 3.8Å; L451-Y516 HydrophobicContact CD2-CE2 4.25Å; L451-A519 HydrophobicContact CB-CB 4.04Å; L451-A519 HydrophobicContact CD1-CB 4.05Å
452S94.7Very high94Very high75 Ų7535.9 Ų35.952%0.52419%0.191SC..Hα-helixtrans-60.4-50175.4-175.70000112.2A448 D449 F450 W454 T455 K456A448-S452 WeakPolarHBondContact O-CB 3.35Å; A448-S452 PolarHBondContact O-N 3.44Å; D449-S452 WeakPolarHBondContact O-CB 3.34Å; D449-S452 PolarHBondContact O-N 2.95Å; F450-S452 VanDerWaalsContact C-N 3.28Å; F450-S452 PolarHBondContact O-N 3.32Å; S452-W454 PolarHBondContact O-N 3.36Å; S452-T455 PolarHBondContact O-OG1 3.35Å; S452-K456 VanDerWaalsContact O-CB 3.26Å; S452-K456 WeakPolarHBondContact O-CB 3.32Å; S452-K456 PolarHBondContact O-N 3.48Å
453A93.8Very high93.7Very high8 Ų835 Ų357%0.06619%0.186CC..Hα-helixtrans-63.3-41.517700000112.4V390 L394 D449 F450 K456 L457V390-A453 HydrophobicContact CG1-CB 3.79Å; L394-A453 HydrophobicContact CD1-CB 4.21Å; D449-A453 WeakPolarHBondContact O-CB 3.2Å; D449-A453 PolarHBondContact O-N 3.49Å; F450-A453 PolarHBondContact O-N 2.86Å; A453-K456 WeakPolarHBondContact O-CB 3.36Å; A453-K456 PolarHBondContact O-N 2.83Å; A453-L457 PolarHBondContact O-N 2.86Å
454W95.4Very high93.4Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-64.5-49.4178.2173.6-110.8000112.1V390 L431 F450 L451 S452 K456 L457 I458 I492 T496 Y516 H558V390-W454 HydrophobicContact CG2-CE3 4.14Å; L431-W454 HydrophobicContact CD2-CE3 4.19Å; L431-W454 HydrophobicContact CD2-CH2 4.22Å; L431-W454 HydrophobicContact CD2-CZ3 3.53Å; F450-W454 HydrophobicContact CD1-CB 4.43Å; F450-W454 HydrophobicContact CE1-CB 4.06Å; F450-W454 HydrophobicContact CE1-CG 4.35Å; F450-W454 HydrophobicContact CZ-CB 4.28Å; F450-W454 WeakPolarHBondContact O-CB 3.46Å; F450-W454 PolarHBondContact O-N 2.91Å; L451-W454 PolarHBondContact O-N 3.48Å; S452-W454 PolarHBondContact O-N 3.36Å; W454-K456 VanDerWaalsContact C-N 3.26Å; W454-K456 PolarHBondContact O-N 3.32Å; W454-L457 HydrophobicContact CE3-CD2 3.88Å; W454-L457 HydrophobicContact CH2-CD2 4.47Å; W454-L457 HydrophobicContact CZ3-CD2 3.57Å; W454-L457 WeakPolarHBondContact O-CB 3.39Å; W454-L457 PolarHBondContact O-N 2.81Å; W454-L457 VanDerWaalsContact O-N 3.17Å; W454-I458 HydrophobicContact CD2-CG1 4.21Å; W454-I458 HydrophobicContact CH2-CD1 3.83Å; W454-I458 HydrophobicContact CH2-CG1 4.15Å; W454-I458 HydrophobicContact CZ2-CD1 3.67Å; W454-I458 HydrophobicContact CZ2-CG1 3.7Å; W454-I458 WeakPolarHBondContact O-CG1 3.45Å; W454-I458 PolarHBondContact O-N 3.29Å; W454-I492 HydrophobicContact CH2-CG2 4.37Å; W454-I492 WeakPolarHBondContact CH2-O 3.45Å; W454-T496 HydrophobicContact CH2-CG2 3.45Å; W454-T496 VanDerWaalsContact CH2-CG2 3.45Å; W454-T496 HydrophobicContact CZ2-CG2 3.41Å; W454-T496 VanDerWaalsContact CZ2-CG2 3.41Å; W454-T496 HydrophobicContact CZ3-CG2 4.3Å; W454-Y516 AromaticContact NE1-CZ 3.79Å; W454-Y516 PolarHBondContact NE1-OH 3.43Å; W454-H558 AromaticContact CZ2-CE1 3.91Å
455T96.3Very high93.1Very high2 Ų233.8 Ų33.81%0.01218%0.179CC..Hα-helixtrans-67.9-28.7177.554.30000112.1L451 S452 R459 A519 T523L451-T455 WeakPolarHBondContact O-CG2 3.36Å; L451-T455 PolarHBondContact O-N 3.44Å; L451-T455 PolarHBondContact O-OG1 3.43Å; S452-T455 PolarHBondContact O-OG1 3.35Å; T455-R459 VanDerWaalsContact O-CB 3.24Å; T455-R459 WeakPolarHBondContact O-CB 3.49Å; T455-R459 PolarHBondContact O-N 2.9Å; T455-A519 HydrophobicContact CG2-CB 4.25Å; T455-T523 WeakPolarHBondContact CB-OG1 3.41Å; T455-T523 PolarHBondContact OG1-OG1 3.1Å
456K93.7Very high92.5Very high99 Ų9935.6 Ų35.643%0.4319%0.192SC..Hα-helixtrans-65.8-40.1170.9-176.3-179.1178.5-176.60112.2L394 S452 A453 W454 R459 Y460L394-K456 HydrophobicContact CD2-CD 4.47Å; L394-K456 HydrophobicContact CD2-CG 4.15Å; S452-K456 VanDerWaalsContact O-CB 3.26Å; S452-K456 WeakPolarHBondContact O-CB 3.32Å; S452-K456 PolarHBondContact O-N 3.48Å; A453-K456 WeakPolarHBondContact O-CB 3.36Å; A453-K456 PolarHBondContact O-N 2.83Å; W454-K456 VanDerWaalsContact C-N 3.26Å; W454-K456 PolarHBondContact O-N 3.32Å; K456-R459 WeakPolarHBondContact O-CB 3.26Å; K456-R459 PolarHBondContact O-N 3.37Å; K456-Y460 WeakPolarHBondContact CE-OH 3.33Å; K456-Y460 HydrophobicContact CG-CE1 4.13Å; K456-Y460 WeakPolarHBondContact O-CD1 3.25Å; K456-Y460 PolarHBondContact O-N 3.27Å; K456-Y460 VanDerWaalsContact O-N 3.08Å
457L94.8Very high92Very high0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-59.9-52.6172.6-174.984.4000110.6L393 L394 L397 A453 W454 R459 Y460 M461 I492L393-L457 HydrophobicContact CB-CD1 3.66Å; L393-L457 HydrophobicContact CB-CD2 4.32Å; L393-L457 HydrophobicContact CD1-CD2 4.34Å; L394-L457 HydrophobicContact CB-CD1 4.42Å; L394-L457 HydrophobicContact CD2-CB 4.01Å; L394-L457 HydrophobicContact CD2-CD1 4Å; L394-L457 HydrophobicContact CG-CB 4.26Å; L394-L457 HydrophobicContact CG-CD1 3.86Å; L397-L457 HydrophobicContact CD1-CD1 3.61Å; L397-L457 HydrophobicContact CD1-CG 4.16Å; L397-L457 HydrophobicContact CG-CD1 4.3Å; A453-L457 PolarHBondContact O-N 2.86Å; W454-L457 HydrophobicContact CE3-CD2 3.88Å; W454-L457 HydrophobicContact CH2-CD2 4.47Å; W454-L457 HydrophobicContact CZ3-CD2 3.57Å; W454-L457 WeakPolarHBondContact O-CB 3.39Å; W454-L457 PolarHBondContact O-N 2.81Å; W454-L457 VanDerWaalsContact O-N 3.17Å; L457-R459 PolarHBondContact O-N 3.35Å; L457-Y460 WeakPolarHBondContact O-CB 3.37Å; L457-Y460 PolarHBondContact O-N 2.98Å; L457-M461 PolarHBondContact O-N 2.87Å; L457-I492 HydrophobicContact CD2-CG2 3.83Å
458I95.6Very high91.4Very high2 Ų233.4 Ų33.41%0.0119%0.186CC..Hα-helixtrans-63.8-28.5179.4-65.7-64000112W454 M461 I492 P554 L555W454-I458 HydrophobicContact CD2-CG1 4.21Å; W454-I458 HydrophobicContact CH2-CD1 3.83Å; W454-I458 HydrophobicContact CH2-CG1 4.15Å; W454-I458 HydrophobicContact CZ2-CD1 3.67Å; W454-I458 HydrophobicContact CZ2-CG1 3.7Å; W454-I458 WeakPolarHBondContact O-CG1 3.45Å; W454-I458 PolarHBondContact O-N 3.29Å; I458-M461 HydrophobicContact CD1-SD 4.32Å; I458-I492 HydrophobicContact CD1-CG2 4.45Å; I458-P554 HydrophobicContact CG2-CB 4.2Å; I458-L555 VanDerWaalsContact CG2-CA 3.5Å; I458-L555 HydrophobicContact CG2-CB 3.87Å; I458-L555 HydrophobicContact CG2-CD1 4.1Å
459R92.8Very high90.7Very high87 Ų8731.3 Ų31.333%0.32816%0.164SC..Hα-helixtrans-68.8-37170.5176.7174.3173.9169.50.5113T455 K456 L457 M461 Q462 T523 L527 L555T455-R459 VanDerWaalsContact O-CB 3.24Å; T455-R459 WeakPolarHBondContact O-CB 3.49Å; T455-R459 PolarHBondContact O-N 2.9Å; K456-R459 WeakPolarHBondContact O-CB 3.26Å; K456-R459 PolarHBondContact O-N 3.37Å; L457-R459 PolarHBondContact O-N 3.35Å; R459-M461 PolarHBondContact O-N 3.48Å; R459-Q462 WeakPolarHBondContact O-CB 3.18Å; R459-Q462 PolarHBondContact O-N 3.47Å; R459-T523 HydrophobicContact CB-CG2 4.02Å; R459-T523 HydrophobicContact CG-CG2 4.47Å; R459-L527 HydrophobicContact CG-CB 4.49Å; R459-L527 HydrophobicContact CG-CD1 4.16Å; R459-L527 HydrophobicContact CG-CD2 4.29Å; R459-L555 HydrophobicContact CB-CD2 4.18Å
460Y90.4Very high90.1Very high35 Ų3530.5 Ų30.514%0.13716%0.155CC..Hα-helixtrans-65-26.5177.3-76.66.4000112.8L394 L397 T398 K456 L457 Q462L394-Y460 HydrophobicContact CD2-CD2 4.06Å; L394-Y460 HydrophobicContact CD2-CE2 3.87Å; L397-Y460 HydrophobicContact CB-CD2 4.33Å; T398-Y460 WeakPolarHBondContact OG1-CE2 3.22Å; K456-Y460 WeakPolarHBondContact CE-OH 3.33Å; K456-Y460 HydrophobicContact CG-CE1 4.13Å; K456-Y460 WeakPolarHBondContact O-CD1 3.25Å; K456-Y460 PolarHBondContact O-N 3.27Å; K456-Y460 VanDerWaalsContact O-N 3.08Å; L457-Y460 WeakPolarHBondContact O-CB 3.37Å; L457-Y460 PolarHBondContact O-N 2.98Å; Y460-Q462 VanDerWaalsContact C-N 3.31Å
461M92.7Very high89Confident0 Ų036.8 Ų36.80%018%0.184CC..THydrogen-bonded Turntrans-82.1-1.9176.7-60.5171.662.900113.7L397 L457 I458 R459 M464 M488 E489 I492 P554L397-M461 HydrophobicContact CD1-CG 4.03Å; L457-M461 PolarHBondContact O-N 2.87Å; I458-M461 HydrophobicContact CD1-SD 4.32Å; R459-M461 PolarHBondContact O-N 3.48Å; M461-M464 HydrophobicContact CB-CE 4.27Å; M461-M464 HydrophobicContact CB-SD 4.41Å; M461-M464 HydrophobicContact CE-CE 4.07Å; M461-M464 WeakPolarHBondContact O-CG 3.49Å; M461-M488 HydrophobicContact CE-CE 3.97Å; M461-M488 HydrophobicContact CE-CG 4.23Å; M461-M488 WeakPolarHBondContact CE-O 3.42Å; M461-M488 HydrophobicContact CG-CE 4.15Å; M461-E489 HydrophobicContact CE-CB 4.45Å; M461-I492 HydrophobicContact CE-CB 3.94Å; M461-I492 HydrophobicContact CE-CD1 4.36Å; M461-I492 HydrophobicContact CE-CG1 4.49Å; M461-I492 HydrophobicContact CE-CG2 4.42Å; M461-I492 HydrophobicContact SD-CB 3.95Å; M461-I492 HydrophobicContact SD-CD1 4.1Å; M461-I492 HydrophobicContact SD-CG2 3.77Å; M461-P554 HydrophobicContact CB-CG 3.62Å
462Q90.9Very high88.1Confident5 Ų538.1 Ų38.12%0.02320%0.201CC..THydrogen-bonded Turntrans-72.1137177.1-149.392.2135.100111.5R459 Y460 M464 L527 L553 M556R459-Q462 WeakPolarHBondContact O-CB 3.18Å; R459-Q462 PolarHBondContact O-N 3.47Å; Y460-Q462 VanDerWaalsContact C-N 3.31Å; Q462-M464 PolarHBondContact O-N 3.22Å; Q462-L527 HydrophobicContact CB-CD2 4.07Å; Q462-L527 HydrophobicContact CG-CD2 3.87Å; Q462-L553 HydrophobicContact CG-CD2 4.36Å; Q462-M556 PolarHBondContact OE1-SD 2.96Å
463F87.9Confident86.9Confident15 Ų1540.3 Ų40.37%0.06621%0.206CC..THydrogen-bonded Turntrans60.421.3176.4-45.1-71.5000115.2V411 C466 L527 L531 H552 L553 H595V411-F463 HydrophobicContact CG1-CB 4Å; F463-C466 PolarHBondContact O-SG 2.92Å; F463-L527 HydrophobicContact CE2-CD2 4.48Å; F463-L531 HydrophobicContact CE2-CD1 3.64Å; F463-L531 HydrophobicContact CZ-CD1 4.21Å; F463-H552 PolarHBondContact N-O 3.31Å; F463-L553 HydrophobicContact CD1-CD2 3.73Å; F463-L553 HydrophobicContact CE1-CD2 3.42Å; F463-L553 VanDerWaalsContact CE1-CD2 3.42Å; F463-L553 HydrophobicContact CZ-CD2 4.15Å; F463-H595 AromaticContact CE1-ND1 3.68Å; F463-H595 AromaticContact CZ-CE1 3.83Å; F463-H595 AromaticContact CZ-ND1 3.82Å
464M88.8Confident86.1Confident0 Ų044.6 Ų44.60%023%0.225CC..  trans-62157.5165.463.7-178.7166.800111.1L412 M461 Q462 C466 A485 M488 E489 S550 H552L412-M464 HydrophobicContact CB-CB 4.14Å; L412-M464 HydrophobicContact CD2-SD 4.45Å; L412-M464 WeakPolarHBondContact O-CB 3.45Å; M461-M464 HydrophobicContact CB-CE 4.27Å; M461-M464 HydrophobicContact CB-SD 4.41Å; M461-M464 HydrophobicContact CE-CE 4.07Å; M461-M464 WeakPolarHBondContact O-CG 3.49Å; Q462-M464 PolarHBondContact O-N 3.22Å; M464-C466 PolarHBondContact O-N 3.47Å; M464-A485 WeakPolarHBondContact CE-O 3.46Å; M464-A485 HydrophobicContact CG-CB 4.39Å; M464-A485 HydrophobicContact SD-CB 4.24Å; M464-M488 HydrophobicContact CE-CE 3.93Å; M464-M488 HydrophobicContact SD-CE 3.22Å; M464-M488 WeakPolarHBondContact SD-CE 3.39Å; M464-E489 HydrophobicContact CE-CB 3.76Å; M464-E489 HydrophobicContact CE-CG 4.43Å; M464-S550 WeakPolarHBondContact O-CB 3.37Å; M464-S550 PolarHBondContact O-OG 2.94Å; M464-H552 HydrophobicContact CE-CB 3.75Å; M464-H552 HydrophobicContact CG-CB 3.52Å; M464-H552 PolarHBondContact O-CD2 2.94Å; M464-H552 VanDerWaalsContact O-CD2 3.31Å; M464-H552 HydrophobicContact SD-CB 4.49Å
465N87Confident85.1Confident19 Ų1947.2 Ų47.210%0.10224%0.239CC..SBendtrans51.957.1178.2179.551.6000112.4F482 A485 H552N465-F482 WeakPolarHBondContact ND2-CA 3.24Å; N465-A485 HydrophobicContact CB-CB 3.66Å; N465-H552 PolarHBondContact ND2-NE2 3.46Å; N465-H552 VanDerWaalsContact ND2-NE2 3.14Å
466C84Confident83.7Confident40 Ų4055.1 Ų55.127%0.2728%0.275SS..PPolyproline II helixtrans-80.9123.7178.1-99.50000112L404 F463 M464 A548 S550L404-C466 HydrophobicContact CD1-CB 3.77Å; F463-C466 PolarHBondContact O-SG 2.92Å; M464-C466 PolarHBondContact O-N 3.47Å; C466-A548 HydrophobicContact CB-CB 4.11Å; C466-S550 VanDerWaalsContact SG-CB 3.57Å
467F83.3Confident82.5Confident24 Ų2460.1 Ų60.111%0.10529%0.293CS..BIsolated β-bridgetrans-97125.9174.1-61-83.2000111.9F482 L549 W611 V618 S621F467-F482 HydrophobicContact CZ-CB 4.34Å; F467-L549 WeakPolarHBondContact CD2-O 3.44Å; F467-L549 PolarHBondContact N-O 2.99Å; F467-L549 PolarHBondContact O-N 3.08Å; F467-W611 HydrophobicContact CB-CH2 4.38Å; F467-W611 HydrophobicContact CB-CZ3 3.81Å; F467-W611 WeakPolarHBondContact O-CH2 3.43Å; F467-V618 HydrophobicContact CB-CG2 4.33Å; F467-V618 HydrophobicContact CD1-CB 3.97Å; F467-V618 HydrophobicContact CD1-CG2 4.1Å; F467-V618 HydrophobicContact CD2-CG2 3.96Å; F467-V618 HydrophobicContact CE1-CB 3.99Å; F467-V618 HydrophobicContact CE1-CG2 4.4Å; F467-V618 HydrophobicContact CE2-CG2 4.27Å; F467-V618 HydrophobicContact CG-CB 4.27Å; F467-V618 HydrophobicContact CG-CG2 3.87Å; F467-V618 HydrophobicContact CZ-CB 4.3Å; F467-V618 HydrophobicContact CZ-CG2 4.48Å; F467-S621 WeakPolarHBondContact CZ-OG 3.15Å
468T81.6Confident81.4Confident89 Ų8963.5 Ų63.555%0.54631%0.308SS..PPolyproline II helixtrans-101.2129.5167.7-56.80000109.8K470 N614T468-K470 PolarHBondContact O-N 2.83Å; T468-N614 PolarHBondContact O-ND2 3.35Å
469M79.4Confident80.4Confident30 Ų3067.3 Ų67.315%0.14833%0.332CS..PPolyproline II helixtrans-63.7127.7-175-167.9-172.8-62.400111.5W611 K663M469-W611 VanDerWaalsContact CA-CZ3 3.48Å; M469-W611 HydrophobicContact CB-CD2 4.38Å; M469-W611 HydrophobicContact CB-CE3 4.06Å; M469-W611 HydrophobicContact CB-CH2 3.86Å; M469-W611 HydrophobicContact CB-CZ2 4.19Å; M469-W611 HydrophobicContact CB-CZ3 3.8Å; M469-W611 HydrophobicContact CE-CD2 4.26Å; M469-W611 HydrophobicContact CE-CH2 4.5Å; M469-W611 HydrophobicContact CE-CZ2 3.73Å; M469-W611 HydrophobicContact CG-CD2 4.13Å; M469-W611 HydrophobicContact CG-CE3 4.16Å; M469-W611 HydrophobicContact CG-CZ3 4.39Å; M469-K663 HydrophobicContact CE-CD 3.9Å; M469-K663 HydrophobicContact SD-CD 3.8Å; M469-K663 PolarHBondContact SD-NZ 2.87Å
470K79.8Confident79.8Confident101 Ų10167.6 Ų67.644%0.43934%0.338SS..PPolyproline II helixtrans-90.5118.2-178.1-63.2-63.8179.6174.90111.8T468 I475 R613 N614T468-K470 PolarHBondContact O-N 2.83Å; K470-I475 HydrophobicContact CG-CD1 3.99Å; K470-I475 HydrophobicContact CG-CG1 4.16Å; K470-R613 HydrophobicContact CB-CB 4.07Å; K470-R613 WeakPolarHBondContact O-CB 3.36Å; K470-R613 WeakPolarHBondContact O-CD 3.12Å; K470-N614 PolarHBondContact N-OD1 3.43Å
471E70.9Confident79.5Confident131 Ų13166.4 Ų66.461%0.61234%0.335SS*.PPolyproline II helixtrans-103.7126.1168.8-62.9-177.5-166.600108.2K663E471-K663 IonicContact OE1-NZ 2.67Å; E471-K663 PolarHBondContact OE1-NZ 3.46Å
472G75.9Confident79.3Confident38 Ų3866.5 Ų66.539%0.39234%0.335SS..SBendtrans118.7-123.8-173.700000113.6R613G472-R613 WeakPolarHBondContact O-CD 3.37Å; G472-R613 PolarHBondContact O-NE 2.93Å; G472-R613 PolarHBondContact O-NH2 2.9Å
473N70.2Confident79.1Confident121 Ų12169.9 Ų69.965%0.64735%0.348SS*.SBendtrans-77164.1-179.1-67.4-9.5000112.3
474H76.1Confident79.2Confident98 Ų9870.3 Ų70.345%0.45435%0.35SS..  trans-80.5151.7172.4-169.3-83000110.1E476 I612H474-E476 PolarHBondContact O-N 2.87Å; H474-I612 PolarHBondContact CD2-O 3.46Å; H474-I612 PolarHBondContact NE2-O 2.91Å
475I74.7Confident79.2Confident56 Ų5670.3 Ų70.329%0.28735%0.35SS..  trans-75.3115169.5-63.3179.9000108.8K470 Y477 E478 R613K470-I475 HydrophobicContact CG-CD1 3.99Å; K470-I475 HydrophobicContact CG-CG1 4.16Å; I475-Y477 WeakPolarHBondContact CG2-O 3.16Å; I475-E478 HydrophobicContact CG2-CG 4.42Å; I475-R613 PolarHBondContact N-O 3.42Å
476E66.3Low79.4Confident167 Ų16770 Ų7078%0.7835%0.348SS*.SBendtrans-81-27-176.8-66.4178.6172.400113.5H474H474-E476 PolarHBondContact O-N 2.87Å
477Y68.9Low79.6Confident205 Ų20569.4 Ų69.480%0.80434%0.343SS*.SBendtrans-121.9124.2-178.5-65.5-88.4000110.6I475I475-Y477 WeakPolarHBondContact CG2-O 3.16Å
478E71.8Confident79.9Confident70 Ų7068.2 Ų68.233%0.32734%0.338SS..  trans-116131.5-174.3-60.4-170.1-142.200111.9I475 G615 Q616 S617I475-E478 HydrophobicContact CG2-CG 4.42Å; E478-G615 WeakPolarHBondContact OE1-CA 3.45Å; E478-Q616 PolarHBondContact OE1-N 3.06Å; E478-Q616 WeakPolarHBondContact OE2-CA 3.46Å; E478-Q616 PolarHBondContact OE2-N 2.98Å; E478-S617 VanDerWaalsContact OE2-CB 3.28Å; E478-S617 WeakPolarHBondContact OE2-CB 3.44Å; E478-S617 PolarHBondContact OE2-N 3.39Å; E478-S617 PolarHBondContact OE2-OG 3.27Å
479T74.2Confident80.5Confident82 Ų8264 Ų6450%0.50331%0.312SS..  trans-90.2155179.747.30000112.2T481T479-T481 WeakPolarHBondContact CB-OG1 3.35Å; T479-T481 PolarHBondContact O-N 3.12Å; T479-T481 PolarHBondContact OG1-OG1 3.07Å
480M81.1Confident80.9Confident93 Ų9364.2 Ų64.246%0.45832%0.315SS..SBendtrans-81.612.7174.8-63.5-62.6108.300113.3F482 Y483 H484M480-F482 PolarHBondContact O-N 2.89Å; M480-F482 HydrophobicContact SD-CE1 4.39Å; M480-Y483 WeakPolarHBondContact O-CB 3.46Å; M480-Y483 PolarHBondContact O-N 3.35Å; M480-H484 PolarHBondContact O-CD2 3.01Å; M480-H484 PolarHBondContact O-N 3.48Å
481T84.7Confident81.2Confident10 Ų1062.9 Ų62.96%0.06131%0.31CS..Hα-helixtrans-44.6-42.8-177.3-36.60000113.1C414 D415 T479 H484 A485C414-T481 HydrophobicContact CB-CG2 3.8Å; D415-T481 WeakPolarHBondContact OD1-CB 3.44Å; D415-T481 VanDerWaalsContact OD1-CG2 3.31Å; D415-T481 WeakPolarHBondContact OD1-CG2 3.32Å; D415-T481 PolarHBondContact OD1-OG1 2.87Å; D415-T481 WeakPolarHBondContact OD2-CG2 3.36Å; T479-T481 WeakPolarHBondContact CB-OG1 3.35Å; T479-T481 PolarHBondContact O-N 3.12Å; T479-T481 PolarHBondContact OG1-OG1 3.07Å; T481-H484 PolarHBondContact O-N 2.66Å; T481-A485 WeakPolarHBondContact O-CB 3.44Å; T481-A485 PolarHBondContact O-N 2.84Å
482F87.7Confident82.2Confident2 Ų256.7 Ų56.71%0.00928%0.281CS..Hα-helixtrans-65.9-40.2-179.679.9-82.7000112.6N465 F467 M480 H484 A485 F486 Q620 S621 H624N465-F482 WeakPolarHBondContact ND2-CA 3.24Å; F467-F482 HydrophobicContact CZ-CB 4.34Å; M480-F482 PolarHBondContact O-N 2.89Å; M480-F482 HydrophobicContact SD-CE1 4.39Å; F482-H484 VanDerWaalsContact C-N 3.31Å; F482-H484 PolarHBondContact O-N 3.43Å; F482-A485 PolarHBondContact O-N 2.97Å; F482-F486 HydrophobicContact CD2-CD2 4.32Å; F482-F486 VanDerWaalsContact O-CD2 3.31Å; F482-F486 WeakPolarHBondContact O-CD2 3.33Å; F482-F486 PolarHBondContact O-N 3.48Å; F482-Q620 HydrophobicContact CD2-CB 4.42Å; F482-Q620 HydrophobicContact CE1-CB 4.44Å; F482-Q620 HydrophobicContact CE2-CB 3.76Å; F482-Q620 HydrophobicContact CZ-CB 3.78Å; F482-S621 WeakPolarHBondContact CB-OG 3.32Å; F482-S621 WeakPolarHBondContact CG-OG 3.48Å; F482-H624 AromaticContact CE2-CE1 3.9Å; F482-H624 AromaticContact CE2-ND1 3.95Å
483Y86.8Confident83Confident77 Ų7755 Ų5530%0.30226%0.263SS..Hα-helixtrans-64.1-40.6178.7174-88.1000110.4M480 T487M480-Y483 WeakPolarHBondContact O-CB 3.46Å; M480-Y483 PolarHBondContact O-N 3.35Å; Y483-T487 WeakPolarHBondContact CE1-OG1 3.33Å; Y483-T487 WeakPolarHBondContact O-CB 3.27Å; Y483-T487 PolarHBondContact O-N 3.29Å; Y483-T487 PolarHBondContact O-OG1 2.78Å
484H89.3Confident83.9Confident24 Ų2449.4 Ų49.411%0.11123%0.234CC..Hα-helixtrans-64.9-44174.9-60.8-62.5000112C414 I419 M480 T481 F482 T487 M488C414-H484 HydrophobicContact CB-CB 4.28Å; I419-H484 HydrophobicContact CG2-CB 4.09Å; M480-H484 PolarHBondContact O-CD2 3.01Å; M480-H484 PolarHBondContact O-N 3.48Å; T481-H484 PolarHBondContact O-N 2.66Å; F482-H484 VanDerWaalsContact C-N 3.31Å; F482-H484 PolarHBondContact O-N 3.43Å; H484-T487 PolarHBondContact O-N 3.42Å; H484-M488 WeakPolarHBondContact O-CB 3.44Å; H484-M488 PolarHBondContact O-N 2.84Å
485A90.4Very high84.3Confident0 Ų046.5 Ų46.50%023%0.227CC..Hα-helixtrans-63-43.5176.200000112.9C414 M464 N465 T481 F482 E489C414-A485 HydrophobicContact CB-CB 4.26Å; M464-A485 WeakPolarHBondContact CE-O 3.46Å; M464-A485 HydrophobicContact CG-CB 4.39Å; M464-A485 HydrophobicContact SD-CB 4.24Å; N465-A485 HydrophobicContact CB-CB 3.66Å; T481-A485 WeakPolarHBondContact O-CB 3.44Å; T481-A485 PolarHBondContact O-N 2.84Å; F482-A485 PolarHBondContact O-N 2.97Å; A485-E489 WeakPolarHBondContact O-CB 3.05Å; A485-E489 PolarHBondContact O-N 3.11Å
486F90.7Very high85Confident12 Ų1243.9 Ų43.95%0.05321%0.214CC..Hα-helixtrans-64.4-46.5174-90.9-77.5000112.1F482 M488 E489 V490 L551 H552 S621 H624 F634F482-F486 HydrophobicContact CD2-CD2 4.32Å; F482-F486 VanDerWaalsContact O-CD2 3.31Å; F482-F486 WeakPolarHBondContact O-CD2 3.33Å; F482-F486 PolarHBondContact O-N 3.48Å; F486-M488 VanDerWaalsContact C-N 3.3Å; F486-M488 PolarHBondContact O-N 3.35Å; F486-E489 PolarHBondContact O-N 3.19Å; F486-V490 WeakPolarHBondContact O-CB 3.44Å; F486-V490 WeakPolarHBondContact O-CG2 3.35Å; F486-V490 PolarHBondContact O-N 3.25Å; F486-L551 HydrophobicContact CZ-CB 4.49Å; F486-L551 HydrophobicContact CZ-CD1 4.42Å; F486-H552 AromaticContact CD2-CE1 3.69Å; F486-H552 AromaticContact CE2-CE1 3.76Å; F486-H552 AromaticContact CG-CE1 3.93Å; F486-S621 WeakPolarHBondContact CZ-O 3.43Å; F486-H624 HydrophobicContact CD1-CB 4.27Å; F486-H624 HydrophobicContact CD2-CB 4.37Å; F486-H624 HydrophobicContact CE1-CB 4.08Å; F486-H624 HydrophobicContact CE2-CB 4.22Å; F486-H624 HydrophobicContact CG-CB 4.42Å; F486-H624 HydrophobicContact CZ-CB 4.07Å; F486-F634 AromaticContact CD1-CE1 3.86Å; F486-F634 HydrophobicContact CD1-CE1 3.86Å; F486-F634 AromaticContact CD1-CZ 3.75Å; F486-F634 HydrophobicContact CD1-CZ 3.75Å; F486-F634 HydrophobicContact CE1-CD1 4.03Å; F486-F634 AromaticContact CE1-CE1 3.52Å; F486-F634 HydrophobicContact CE1-CE1 3.52Å; F486-F634 AromaticContact CE1-CZ 3.85Å; F486-F634 HydrophobicContact CE1-CZ 3.85Å
487T87.8Confident86.3Confident27 Ų2736 Ų3617%0.16618%0.177CC..Hα-helixtrans-56-48.6177.4-58.30000110.1Y483 H484 V490 E491Y483-T487 WeakPolarHBondContact CE1-OG1 3.33Å; Y483-T487 WeakPolarHBondContact O-CB 3.27Å; Y483-T487 PolarHBondContact O-N 3.29Å; Y483-T487 PolarHBondContact O-OG1 2.78Å; H484-T487 PolarHBondContact O-N 3.42Å; T487-V490 PolarHBondContact O-N 3.29Å; T487-E491 HydrophobicContact CG2-CG 4.18Å; T487-E491 WeakPolarHBondContact O-CB 3.37Å; T487-E491 WeakPolarHBondContact O-CG 3.49Å; T487-E491 PolarHBondContact O-N 3.36Å
488M90.2Very high87.2Confident0 Ų027.3 Ų27.30%014%0.143CC..Hα-helixtrans-69.9-33.5-178.3-168-169.662.500113.1L397 L412 I419 F424 M461 M464 H484 F486 I492L397-M488 HydrophobicContact CD2-SD 3.88Å; L412-M488 HydrophobicContact CD2-CE 3.2Å; L412-M488 HydrophobicContact CD2-SD 3.75Å; I419-M488 HydrophobicContact CD1-SD 4.12Å; I419-M488 HydrophobicContact CG2-SD 4.25Å; F424-M488 HydrophobicContact CD1-CG 4.36Å; F424-M488 HydrophobicContact CD1-SD 4.5Å; F424-M488 HydrophobicContact CE1-CB 4.21Å; F424-M488 HydrophobicContact CE1-CG 4.02Å; F424-M488 HydrophobicContact CE1-SD 4.43Å; F424-M488 HydrophobicContact CE2-CB 4.42Å; F424-M488 HydrophobicContact CE2-CG 4.21Å; F424-M488 HydrophobicContact CZ-CB 3.89Å; F424-M488 HydrophobicContact CZ-CG 3.94Å; M461-M488 HydrophobicContact CE-CE 3.97Å; M461-M488 HydrophobicContact CE-CG 4.23Å; M461-M488 WeakPolarHBondContact CE-O 3.42Å; M461-M488 HydrophobicContact CG-CE 4.15Å; M464-M488 HydrophobicContact CE-CE 3.93Å; M464-M488 HydrophobicContact SD-CE 3.22Å; M464-M488 WeakPolarHBondContact SD-CE 3.39Å; H484-M488 WeakPolarHBondContact O-CB 3.44Å; H484-M488 PolarHBondContact O-N 2.84Å; F486-M488 VanDerWaalsContact C-N 3.3Å; F486-M488 PolarHBondContact O-N 3.35Å; M488-I492 HydrophobicContact CG-CD1 3.37Å; M488-I492 HydrophobicContact CG-CG1 3.84Å; M488-I492 VanDerWaalsContact O-CB 3.32Å; M488-I492 WeakPolarHBondContact O-CB 3.38Å; M488-I492 WeakPolarHBondContact O-CG1 3.46Å; M488-I492 PolarHBondContact O-N 3.49Å; M488-I492 HydrophobicContact SD-CD1 3.96Å
489E92.6Very high88Confident0 Ų025.3 Ų25.30%013%0.134CC..Iπ-helixtrans-70.2-33.8171.7-170167.3-172.800113.1M461 M464 A485 F486 S493 S494 H552 P554 R557 F634M461-E489 HydrophobicContact CE-CB 4.45Å; M464-E489 HydrophobicContact CE-CB 3.76Å; M464-E489 HydrophobicContact CE-CG 4.43Å; A485-E489 WeakPolarHBondContact O-CB 3.05Å; A485-E489 PolarHBondContact O-N 3.11Å; F486-E489 PolarHBondContact O-N 3.19Å; E489-S493 WeakPolarHBondContact O-CB 3.35Å; E489-S493 PolarHBondContact O-N 3.32Å; E489-S494 PolarHBondContact O-N 3.46Å; E489-S494 PolarHBondContact O-OG 3.35Å; E489-H552 WeakPolarHBondContact OE2-CA 3.23Å; E489-H552 WeakPolarHBondContact OE2-CB 3.26Å; E489-H552 IonicContact OE2-CE1 2.67Å; E489-H552 IonicContact OE2-CG 2.75Å; E489-H552 IonicContact OE2-ND1 2.69Å; E489-H552 PolarHBondContact OE2-ND1 3.41Å; E489-P554 HydrophobicContact CG-CB 4.2Å; E489-P554 VanDerWaalsContact OE1-CD 3.31Å; E489-P554 WeakPolarHBondContact OE1-CD 3.18Å; E489-R557 VanDerWaalsContact CD-NH1 3.34Å; E489-R557 IonicContact OE1-CZ 2.76Å; E489-R557 IonicContact OE1-NH1 3.55Å; E489-R557 PolarHBondContact OE1-NH1 3.23Å; E489-R557 IonicContact OE2-NH1 3.92Å; E489-R557 PolarHBondContact OE2-NH1 3.03Å; E489-F634 HydrophobicContact CB-CZ 4.26Å; E489-F634 HydrophobicContact CG-CE1 4.2Å; E489-F634 HydrophobicContact CG-CZ 3.98Å; E489-F634 WeakPolarHBondContact OE2-CE1 3.47Å
490V88.2Confident88.9Confident35 Ų3521.4 Ų21.421%0.21211%0.11CC..Iπ-helixtrans-69-52.3174.9170.20000110.5F486 T487 S494 A495 F630 F634F486-V490 WeakPolarHBondContact O-CB 3.44Å; F486-V490 WeakPolarHBondContact O-CG2 3.35Å; F486-V490 PolarHBondContact O-N 3.25Å; T487-V490 PolarHBondContact O-N 3.29Å; V490-S494 WeakPolarHBondContact O-CB 3.13Å; V490-S494 PolarHBondContact O-N 2.79Å; V490-A495 PolarHBondContact O-N 3.32Å; V490-F630 HydrophobicContact CG1-CE1 4.49Å; V490-F630 HydrophobicContact CG2-CD1 4.02Å; V490-F630 HydrophobicContact CG2-CE1 3.91Å; V490-F634 HydrophobicContact CG2-CE2 4.14Å; V490-F634 HydrophobicContact CG2-CZ 4.33Å
491E86.2Confident89.4Confident72 Ų7217.2 Ų17.234%0.3369%0.089SC..Iπ-helixtrans-72.5-52.5-173.9-61.1-74.1159.500112.4V428 T487V428-E491 HydrophobicContact CG1-CB 4.09Å; V428-E491 VanDerWaalsContact CG1-O 3.26Å; V428-E491 WeakPolarHBondContact CG1-O 3.36Å; T487-E491 HydrophobicContact CG2-CG 4.18Å; T487-E491 WeakPolarHBondContact O-CB 3.37Å; T487-E491 WeakPolarHBondContact O-CG 3.49Å; T487-E491 PolarHBondContact O-N 3.36Å
492I91.8Very high89.5Confident1 Ų120.4 Ų20.41%0.00510%0.102CC..Iπ-helixtrans-72.6-55.2-178.2-54.6-174.1000110.7F424 V428 W454 L457 I458 M461 M488 T496F424-I492 HydrophobicContact CD2-CD1 4.38Å; F424-I492 HydrophobicContact CD2-CG1 4.35Å; V428-I492 HydrophobicContact CG2-CD1 4.35Å; V428-I492 HydrophobicContact CG2-CG1 3.66Å; W454-I492 HydrophobicContact CH2-CG2 4.37Å; W454-I492 WeakPolarHBondContact CH2-O 3.45Å; L457-I492 HydrophobicContact CD2-CG2 3.83Å; I458-I492 HydrophobicContact CD1-CG2 4.45Å; M461-I492 HydrophobicContact CE-CB 3.94Å; M461-I492 HydrophobicContact CE-CD1 4.36Å; M461-I492 HydrophobicContact CE-CG1 4.49Å; M461-I492 HydrophobicContact CE-CG2 4.42Å; M461-I492 HydrophobicContact SD-CB 3.95Å; M461-I492 HydrophobicContact SD-CD1 4.1Å; M461-I492 HydrophobicContact SD-CG2 3.77Å; M488-I492 HydrophobicContact CG-CD1 3.37Å; M488-I492 HydrophobicContact CG-CG1 3.84Å; M488-I492 VanDerWaalsContact O-CB 3.32Å; M488-I492 WeakPolarHBondContact O-CB 3.38Å; M488-I492 WeakPolarHBondContact O-CG1 3.46Å; M488-I492 PolarHBondContact O-N 3.49Å; M488-I492 HydrophobicContact SD-CD1 3.96Å; I492-T496 VanDerWaalsContact O-CB 3.3Å; I492-T496 WeakPolarHBondContact O-CB 3.44Å; I492-T496 PolarHBondContact O-OG1 3.47Å
493S93Very high89.6Confident2 Ų222.1 Ų22.11%0.01411%0.11CC..Iπ-helixtrans-88-57-167.9174.70000112E489 M497 P554 H558E489-S493 WeakPolarHBondContact O-CB 3.35Å; E489-S493 PolarHBondContact O-N 3.32Å; S493-M497 WeakPolarHBondContact O-CB 3.39Å; S493-M497 PolarHBondContact O-N 2.71Å; S493-P554 VanDerWaalsContact OG-CB 3.23Å; S493-P554 WeakPolarHBondContact OG-CB 3.47Å; S493-H558 PolarHBondContact O-NE2 3.47Å; S493-H558 PolarHBondContact OG-CD2 3.44Å; S493-H558 VanDerWaalsContact OG-CD2 3.24Å; S493-H558 PolarHBondContact OG-NE2 2.82Å
494S90.1Very high89.9Confident5 Ų518.5 Ų18.54%0.03510%0.096CC..Iπ-helixtrans-70.6-45.2-166.2-53.20000112.8E489 V490 M497 W498E489-S494 PolarHBondContact O-N 3.46Å; E489-S494 PolarHBondContact O-OG 3.35Å; V490-S494 WeakPolarHBondContact O-CB 3.13Å; V490-S494 PolarHBondContact O-N 2.79Å; S494-M497 WeakPolarHBondContact O-CB 3.44Å; S494-M497 PolarHBondContact O-N 3.41Å; S494-W498 PolarHBondContact O-N 2.74Å
495A83.8Confident89.8Confident37 Ų3719.3 Ų19.331%0.30610%0.098SC..Hα-helixtrans-60.4-48.7177.700000111.3V490 M497 W498 N499V490-A495 PolarHBondContact O-N 3.32Å; A495-M497 PolarHBondContact O-N 3.1Å; A495-W498 PolarHBondContact O-N 3.47Å; A495-N499 PolarHBondContact O-N 2.76Å
496T90Very high89.7Confident1 Ų124.6 Ų24.61%0.00613%0.126CC..Hα-helixtrans-63-41.4177.1-52.20000112V435 W454 I492 W498 N499 F500V435-T496 HydrophobicContact CG1-CG2 4.4Å; V435-T496 HydrophobicContact CG2-CG2 4.13Å; W454-T496 HydrophobicContact CH2-CG2 3.45Å; W454-T496 VanDerWaalsContact CH2-CG2 3.45Å; W454-T496 HydrophobicContact CZ2-CG2 3.41Å; W454-T496 VanDerWaalsContact CZ2-CG2 3.41Å; W454-T496 HydrophobicContact CZ3-CG2 4.3Å; I492-T496 VanDerWaalsContact O-CB 3.3Å; I492-T496 WeakPolarHBondContact O-CB 3.44Å; I492-T496 PolarHBondContact O-OG1 3.47Å; T496-W498 VanDerWaalsContact C-N 3.33Å; T496-W498 PolarHBondContact O-N 2.71Å; T496-N499 PolarHBondContact O-N 3.16Å; T496-F500 HydrophobicContact CG2-CD2 3.74Å; T496-F500 HydrophobicContact CG2-CE2 3.54Å; T496-F500 VanDerWaalsContact O-CD2 3.29Å; T496-F500 WeakPolarHBondContact O-CD2 3.45Å; T496-F500 PolarHBondContact O-N 2.7Å
497M93Very high89.5Confident1 Ų129.3 Ų29.31%0.00516%0.158CC..Hα-helixtrans-56.8-44.4173.7-173.9179.562.700111.8S493 S494 A495 W501 C561 F562 L637S493-M497 WeakPolarHBondContact O-CB 3.39Å; S493-M497 PolarHBondContact O-N 2.71Å; S494-M497 WeakPolarHBondContact O-CB 3.44Å; S494-M497 PolarHBondContact O-N 3.41Å; A495-M497 PolarHBondContact O-N 3.1Å; M497-W501 VanDerWaalsContact O-CB 3.24Å; M497-W501 WeakPolarHBondContact O-CB 3.45Å; M497-W501 PolarHBondContact O-N 3.29Å; M497-C561 HydrophobicContact CG-CB 4.31Å; M497-C561 HydrophobicContact SD-CB 3.69Å; M497-F562 HydrophobicContact CG-CE2 4.04Å; M497-L637 HydrophobicContact CE-CD1 3.72Å; M497-L637 HydrophobicContact SD-CD1 4.24Å
498W88.5Confident89.7Confident23 Ų2331.8 Ų31.89%0.08718%0.176CC..Hα-helixtrans-71.8-31.1180-69.5126.4000113.4S494 A495 T496 W501 K502 C561 Y632 S633 L637 R743 I746S494-W498 PolarHBondContact O-N 2.74Å; A495-W498 PolarHBondContact O-N 3.47Å; T496-W498 VanDerWaalsContact C-N 3.33Å; T496-W498 PolarHBondContact O-N 2.71Å; W498-W501 HydrophobicContact CE3-CB 3.96Å; W498-W501 AromaticContact CE3-CD2 3.83Å; W498-W501 HydrophobicContact CE3-CD2 3.83Å; W498-W501 AromaticContact CE3-CE3 3.81Å; W498-W501 HydrophobicContact CE3-CE3 3.81Å; W498-W501 AromaticContact CE3-CG 3.89Å; W498-W501 HydrophobicContact CE3-CG 3.89Å; W498-W501 HydrophobicContact CZ3-CB 4.35Å; W498-W501 AromaticContact CZ3-CD2 3.82Å; W498-W501 HydrophobicContact CZ3-CD2 3.82Å; W498-W501 HydrophobicContact CZ3-CE3 4.14Å; W498-W501 AromaticContact CZ3-CG 3.89Å; W498-W501 HydrophobicContact CZ3-CG 3.89Å; W498-W501 PolarHBondContact O-N 2.71Å; W498-K502 WeakPolarHBondContact O-CB 3.42Å; W498-K502 PolarHBondContact O-N 3.1Å; W498-C561 WeakPolarHBondContact CZ3-SG 3.07Å; W498-Y632 WeakPolarHBondContact CZ2-O 3.42Å; W498-S633 PolarHBondContact NE1-OG 3.22Å; W498-L637 HydrophobicContact CH2-CD1 4.48Å; W498-L637 HydrophobicContact CZ2-CD1 4.43Å; W498-R743 HydrophobicContact CH2-CG 4.47Å; W498-R743 VanDerWaalsContact CH2-NE 3.34Å; W498-R743 HydrophobicContact CZ3-CG 4.4Å; W498-I746 HydrophobicContact CB-CD1 4.13Å; W498-I746 HydrophobicContact CG-CD1 4.4Å
499N88.6Confident89.8Confident28 Ų2832.8 Ų32.815%0.1518%0.181CC..Hα-helixtrans-65.2-52.9170-85.8-28.8000111.7V435 A495 T496 W501 K502 H503V435-N499 HydrophobicContact CB-CB 4.19Å; V435-N499 HydrophobicContact CG2-CB 3.65Å; V435-N499 WeakPolarHBondContact O-CB 3.42Å; A495-N499 PolarHBondContact O-N 2.76Å; T496-N499 PolarHBondContact O-N 3.16Å; N499-W501 VanDerWaalsContact C-N 3.27Å; N499-W501 PolarHBondContact O-N 3.42Å; N499-K502 WeakPolarHBondContact O-CB 3.45Å; N499-K502 PolarHBondContact O-N 2.62Å; N499-H503 PolarHBondContact O-CD2 3.48Å; N499-H503 PolarHBondContact O-N 3.03Å; N499-H503 VanDerWaalsContact O-N 3.13Å
500F92.4Very high89.9Confident0 Ų038.2 Ų38.20%020%0.201CC..Hα-helixtrans-55.5-42.8173.3-79.4-71.4000111.7V435 V441 L444 V445 F450 T496 H503 C504 Y516 F562V435-F500 HydrophobicContact CG1-CE2 4.03Å; V435-F500 HydrophobicContact CG1-CZ 3.97Å; V441-F500 HydrophobicContact CB-CD1 4.47Å; V441-F500 HydrophobicContact CB-CE1 4.46Å; V441-F500 HydrophobicContact CG1-CD1 3.59Å; V441-F500 HydrophobicContact CG1-CE1 3.92Å; V441-F500 HydrophobicContact CG2-CD1 4.21Å; V441-F500 HydrophobicContact CG2-CE1 4.2Å; L444-F500 HydrophobicContact CB-CE1 4.3Å; L444-F500 HydrophobicContact CB-CZ 4.44Å; L444-F500 HydrophobicContact CD1-CZ 4.35Å; V445-F500 HydrophobicContact CG2-CD1 3.87Å; V445-F500 HydrophobicContact CG2-CE1 3.71Å; F450-F500 HydrophobicContact CE1-CZ 4.09Å; F450-F500 HydrophobicContact CZ-CZ 4.47Å; T496-F500 HydrophobicContact CG2-CD2 3.74Å; T496-F500 HydrophobicContact CG2-CE2 3.54Å; T496-F500 VanDerWaalsContact O-CD2 3.29Å; T496-F500 WeakPolarHBondContact O-CD2 3.45Å; T496-F500 PolarHBondContact O-N 2.7Å; F500-H503 PolarHBondContact O-N 3.05Å; F500-C504 WeakPolarHBondContact O-CB 3.37Å; F500-C504 PolarHBondContact O-N 3.27Å; F500-C504 PolarHBondContact O-SG 2.7Å; F500-Y516 HydrophobicContact CB-CE2 4.21Å; F500-Y516 HydrophobicContact CD1-CD2 4.01Å; F500-Y516 AromaticContact CD1-CE2 3.74Å; F500-Y516 HydrophobicContact CD1-CE2 3.74Å; F500-Y516 AromaticContact CD2-CE2 3.64Å; F500-Y516 HydrophobicContact CD2-CE2 3.64Å; F500-Y516 AromaticContact CD2-CZ 3.89Å; F500-Y516 HydrophobicContact CE1-CD2 4.3Å; F500-Y516 AromaticContact CE1-CE2 3.97Å; F500-Y516 HydrophobicContact CE1-CE2 3.97Å; F500-Y516 AromaticContact CE2-CE2 3.86Å; F500-Y516 HydrophobicContact CE2-CE2 3.86Å; F500-Y516 HydrophobicContact CG-CD2 4.24Å; F500-Y516 AromaticContact CG-CE2 3.6Å; F500-Y516 HydrophobicContact CG-CE2 3.6Å; F500-Y516 HydrophobicContact CZ-CE2 4.04Å; F500-F562 HydrophobicContact CB-CE1 4.42Å; F500-F562 HydrophobicContact CB-CE2 4.43Å; F500-F562 HydrophobicContact CB-CZ 3.63Å
501W91.7Very high90.3Very high5 Ų540.8 Ų40.82%0.01922%0.217CC..Hα-helixtrans-63.2-46.6179.4178.787.3000112.1M497 W498 N499 H503 C504 R505 C561 F562 L565M497-W501 VanDerWaalsContact O-CB 3.24Å; M497-W501 WeakPolarHBondContact O-CB 3.45Å; M497-W501 PolarHBondContact O-N 3.29Å; W498-W501 HydrophobicContact CE3-CB 3.96Å; W498-W501 AromaticContact CE3-CD2 3.83Å; W498-W501 HydrophobicContact CE3-CD2 3.83Å; W498-W501 AromaticContact CE3-CE3 3.81Å; W498-W501 HydrophobicContact CE3-CE3 3.81Å; W498-W501 AromaticContact CE3-CG 3.89Å; W498-W501 HydrophobicContact CE3-CG 3.89Å; W498-W501 HydrophobicContact CZ3-CB 4.35Å; W498-W501 AromaticContact CZ3-CD2 3.82Å; W498-W501 HydrophobicContact CZ3-CD2 3.82Å; W498-W501 HydrophobicContact CZ3-CE3 4.14Å; W498-W501 AromaticContact CZ3-CG 3.89Å; W498-W501 HydrophobicContact CZ3-CG 3.89Å; W498-W501 PolarHBondContact O-N 2.71Å; N499-W501 VanDerWaalsContact C-N 3.27Å; N499-W501 PolarHBondContact O-N 3.42Å; W501-H503 VanDerWaalsContact C-N 3.29Å; W501-H503 PolarHBondContact O-N 2.58Å; W501-C504 PolarHBondContact O-N 3.25Å; W501-R505 VanDerWaalsContact CH2-NH1 3.31Å; W501-R505 WeakPolarHBondContact O-CG 3.42Å; W501-C561 VanDerWaalsContact CD1-SG 3.5Å; W501-F562 HydrophobicContact CB-CZ 4.08Å; W501-L565 HydrophobicContact CG-CD2 4.42Å
502K87.1Confident90.8Very high76 Ų7638.4 Ų38.433%0.3321%0.206SC..Hα-helixtrans-54.2-42.4175.7165.6-162.7167.6-146.40111.8S436 W498 N499 R505S436-K502 PolarHBondContact O-NZ 3.34Å; W498-K502 WeakPolarHBondContact O-CB 3.42Å; W498-K502 PolarHBondContact O-N 3.1Å; N499-K502 WeakPolarHBondContact O-CB 3.45Å; N499-K502 PolarHBondContact O-N 2.62Å; K502-R505 WeakPolarHBondContact O-CG 3.24Å
503H90.3Very high91Very high38 Ų3838.4 Ų38.418%0.17621%0.206CC..Hα-helixtrans-79.8-28.6-178.8-68.5-63.7000113.1S436 K438 V441 N499 F500 W501 R505 E509S436-H503 PolarHBondContact O-NE2 3.48Å; S436-H503 VanDerWaalsContact O-NE2 3.1Å; K438-H503 VanDerWaalsContact CA-CE1 3.41Å; K438-H503 WeakPolarHBondContact CA-CE1 3.24Å; K438-H503 WeakPolarHBondContact CB-CE1 3.42Å; K438-H503 WeakPolarHBondContact CB-ND1 3.25Å; K438-H503 VanDerWaalsContact CD-CE1 3.5Å; K438-H503 WeakPolarHBondContact CD-CE1 3.25Å; K438-H503 VanDerWaalsContact CG-CE1 3.4Å; K438-H503 WeakPolarHBondContact CG-CE1 3.39Å; K438-H503 PolarHBondContact N-NE2 3.5Å; V441-H503 HydrophobicContact CB-CB 4.26Å; V441-H503 HydrophobicContact CG1-CB 3.86Å; N499-H503 PolarHBondContact O-CD2 3.48Å; N499-H503 PolarHBondContact O-N 3.03Å; N499-H503 VanDerWaalsContact O-N 3.13Å; F500-H503 PolarHBondContact O-N 3.05Å; W501-H503 VanDerWaalsContact C-N 3.29Å; W501-H503 PolarHBondContact O-N 2.58Å; H503-R505 VanDerWaalsContact C-N 3.31Å; H503-R505 PolarHBondContact O-N 2.89Å; H503-E509 WeakPolarHBondContact O-CG 3.33Å
504C91.7Very high91.1Very high1 Ų140.3 Ų40.31%0.00722%0.216CC..THydrogen-bonded Turntrans-84.213.5179.8-66.30000115.3F500 W501 C513 F562 L565 H570F500-C504 WeakPolarHBondContact O-CB 3.37Å; F500-C504 PolarHBondContact O-N 3.27Å; F500-C504 PolarHBondContact O-SG 2.7Å; W501-C504 PolarHBondContact O-N 3.25Å; C504-C513 HydrophobicContact CB-CB 4.04Å; C504-F562 HydrophobicContact CB-CE1 4.22Å; C504-L565 HydrophobicContact CB-CD2 3.66Å; C504-H570 PolarHBondContact O-CE1 3.49Å; C504-H570 PolarHBondContact O-NE2 2.72Å
505R87.6Confident91.5Very high42 Ų4243.6 Ų43.616%0.15823%0.233CC..  trans-81.9-37.2-169.4-64-162.871.3176.46.5116.3W501 K502 H503 L565 Q569 E714W501-R505 VanDerWaalsContact CH2-NH1 3.31Å; W501-R505 WeakPolarHBondContact O-CG 3.42Å; K502-R505 WeakPolarHBondContact O-CG 3.24Å; H503-R505 VanDerWaalsContact C-N 3.31Å; H503-R505 PolarHBondContact O-N 2.89Å; R505-L565 HydrophobicContact CG-CD1 4.5Å; R505-Q569 PolarHBondContact O-NE2 3.39Å; R505-E714 IonicContact CZ-OE1 3.02Å; R505-E714 IonicContact NH1-OE1 2.77Å; R505-E714 PolarHBondContact NH1-OE1 2.67Å; R505-E714 IonicContact NH1-OE2 3.47Å; R505-E714 IonicContact NH2-OE1 2.69Å; R505-E714 PolarHBondContact NH2-OE1 2.79Å
506L88.5Confident92.1Very high110 Ų11041.8 Ų41.858%0.57622%0.218SC*.SBendtrans-77.6151.3-170.2-60.3174.4000110.6S508 E509 H570L506-S508 PolarHBondContact O-N 3.13Å; L506-E509 HydrophobicContact CB-CG 4Å; L506-E509 WeakPolarHBondContact O-CB 3.2Å; L506-E509 WeakPolarHBondContact O-CG 3.44Å; L506-E509 PolarHBondContact O-N 3.24Å; L506-H570 PolarHBondContact O-CE1 2.78Å
507P87.4Confident92.4Very high111 Ų11141.8 Ų41.872%0.72122%0.218SC*.G310 helixtrans-58-21-176.7-2836.4000115.8E509P507-E509 VanDerWaalsContact C-N 3.32Å
508S91.1Very high92.6Very high80 Ų8045.7 Ų45.756%0.55924%0.235SC*.G310 helixtrans-62.2-35169.236.20000113.2L506 R510L506-S508 PolarHBondContact O-N 3.13Å; S508-R510 PolarHBondContact O-N 2.99Å
509E93Very high92.9Very high20 Ų2045.5 Ų45.59%0.09324%0.238CC..G310 helixtrans-89.512-168.4-36.1-51.7155.100112.7K438 H503 L506 P507 T511 H512 C513K438-E509 VanDerWaalsContact CE-CD 3.46Å; K438-E509 WeakPolarHBondContact CE-OE1 3.46Å; K438-E509 WeakPolarHBondContact CE-OE2 3.25Å; K438-E509 IonicContact NZ-OE1 2.69Å; K438-E509 IonicContact NZ-OE2 3.32Å; K438-E509 PolarHBondContact NZ-OE2 2.71Å; H503-E509 WeakPolarHBondContact O-CG 3.33Å; L506-E509 HydrophobicContact CB-CG 4Å; L506-E509 WeakPolarHBondContact O-CB 3.2Å; L506-E509 WeakPolarHBondContact O-CG 3.44Å; L506-E509 PolarHBondContact O-N 3.24Å; P507-E509 VanDerWaalsContact C-N 3.32Å; E509-T511 PolarHBondContact O-N 3.25Å; E509-H512 PolarHBondContact O-N 3.07Å; E509-C513 WeakPolarHBondContact O-CB 3.32Å; E509-C513 PolarHBondContact O-N 2.74Å
510R95Very high93.3Very high114 Ų11444.2 Ų44.243%0.4323%0.232SC..Hα-helixtrans-57.6-36-178.8-179.2169.6178.9-177.52.7112.4S508 L514 H570S508-R510 PolarHBondContact O-N 2.99Å; R510-L514 HydrophobicContact CG-CD1 4.18Å; R510-L514 WeakPolarHBondContact O-CB 2.98Å; R510-L514 WeakPolarHBondContact O-CG 3.34Å; R510-L514 PolarHBondContact O-N 2.85Å; R510-H570 WeakPolarHBondContact CB-ND1 3.2Å; R510-H570 HydrophobicContact CG-CB 3.99Å; R510-H570 PolarHBondContact NE-O 2.94Å
511T95.5Very high93.5Very high89 Ų8944.7 Ų44.755%0.54623%0.234SC..Hα-helixtrans-65.9-52179.1-53.70000110.8E509 C513 L514 L515E509-T511 PolarHBondContact O-N 3.25Å; T511-C513 PolarHBondContact O-N 3.16Å; T511-L514 WeakPolarHBondContact O-CB 3.49Å; T511-L514 PolarHBondContact O-N 3.5Å; T511-L514 VanDerWaalsContact O-N 3.12Å; T511-L515 HydrophobicContact CG2-CD1 4.31Å; T511-L515 WeakPolarHBondContact O-CG 3.41Å; T511-L515 PolarHBondContact O-N 3.28Å
512H96.4Very high93.6Very high23 Ų2347 Ų4711%0.10625%0.25CS..Hα-helixtrans-61.8-43.9177.4-56.477.2000111.7V445 E446 E509 L514 L515 Y516V445-H512 HydrophobicContact CB-CB 4.34Å; V445-H512 HydrophobicContact CG1-CB 3.78Å; V445-H512 WeakPolarHBondContact CG1-O 3.39Å; E446-H512 IonicContact OE1-CD2 3.76Å; E446-H512 IonicContact OE1-CE1 3.77Å; E446-H512 IonicContact OE1-NE2 2.73Å; E446-H512 PolarHBondContact OE1-NE2 3.12Å; E509-H512 PolarHBondContact O-N 3.07Å; H512-L514 VanDerWaalsContact C-N 3.26Å; H512-L514 PolarHBondContact O-N 3.38Å; H512-L515 PolarHBondContact O-N 3.05Å; H512-Y516 PolarHBondContact O-N 2.7Å
513C96.3Very high93.9Very high0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-52.9-45.1172.4-174.20000111.9C504 E509 T511 T517 S566 H570C504-C513 HydrophobicContact CB-CB 4.04Å; E509-C513 WeakPolarHBondContact O-CB 3.32Å; E509-C513 PolarHBondContact O-N 2.74Å; T511-C513 PolarHBondContact O-N 3.16Å; C513-T517 WeakPolarHBondContact O-CB 3.26Å; C513-T517 PolarHBondContact O-N 3.07Å; C513-T517 PolarHBondContact O-OG1 2.87Å; C513-S566 PolarHBondContact SG-OG 3.43Å; C513-H570 VanDerWaalsContact SG-CD2 3.54Å
514L96.1Very high94Very high42 Ų4242.6 Ų42.622%0.2223%0.233CC..Hα-helixtrans-70.5-40.7179.3-78.4171.2000113.4R510 T511 H512 T517 K518 V572 L577R510-L514 HydrophobicContact CG-CD1 4.18Å; R510-L514 WeakPolarHBondContact O-CB 2.98Å; R510-L514 WeakPolarHBondContact O-CG 3.34Å; R510-L514 PolarHBondContact O-N 2.85Å; T511-L514 WeakPolarHBondContact O-CB 3.49Å; T511-L514 PolarHBondContact O-N 3.5Å; T511-L514 VanDerWaalsContact O-N 3.12Å; H512-L514 VanDerWaalsContact C-N 3.26Å; H512-L514 PolarHBondContact O-N 3.38Å; L514-T517 PolarHBondContact O-N 3.5Å; L514-K518 WeakPolarHBondContact O-CB 3.42Å; L514-K518 WeakPolarHBondContact O-CG 3.45Å; L514-K518 PolarHBondContact O-N 2.88Å; L514-V572 HydrophobicContact CD1-CG2 4.26Å; L514-V572 HydrophobicContact CD2-CG1 4.17Å; L514-V572 HydrophobicContact CD2-CG2 4Å; L514-V572 HydrophobicContact CG-CG2 4.4Å; L514-L577 HydrophobicContact CD2-CD1 3.76Å; L514-L577 HydrophobicContact CD2-CD2 4.29Å
515L96.7Very high94Very high74 Ų7442.7 Ų42.739%0.38723%0.233SC..Hα-helixtrans-58.5-51.4175.7-73.2170.3000111V445 T511 H512 T517 K518 A519V445-L515 HydrophobicContact CG1-CB 3.7Å; V445-L515 HydrophobicContact CG1-CD1 4.33Å; T511-L515 HydrophobicContact CG2-CD1 4.31Å; T511-L515 WeakPolarHBondContact O-CG 3.41Å; T511-L515 PolarHBondContact O-N 3.28Å; H512-L515 PolarHBondContact O-N 3.05Å; L515-T517 PolarHBondContact O-N 2.98Å; L515-K518 PolarHBondContact O-N 3.43Å; L515-A519 PolarHBondContact O-N 2.97Å
516Y97.1Very high94Very high0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-60.7-44.9177-165.2-86.4000111.8V445 L451 W454 F500 H512 K518 A519 C520 H558 F562V445-Y516 HydrophobicContact CG2-CD2 4.09Å; L451-Y516 HydrophobicContact CD2-CD2 3.8Å; L451-Y516 HydrophobicContact CD2-CE2 4.25Å; W454-Y516 AromaticContact NE1-CZ 3.79Å; W454-Y516 PolarHBondContact NE1-OH 3.43Å; F500-Y516 HydrophobicContact CB-CE2 4.21Å; F500-Y516 HydrophobicContact CD1-CD2 4.01Å; F500-Y516 AromaticContact CD1-CE2 3.74Å; F500-Y516 HydrophobicContact CD1-CE2 3.74Å; F500-Y516 AromaticContact CD2-CE2 3.64Å; F500-Y516 HydrophobicContact CD2-CE2 3.64Å; F500-Y516 AromaticContact CD2-CZ 3.89Å; F500-Y516 HydrophobicContact CE1-CD2 4.3Å; F500-Y516 AromaticContact CE1-CE2 3.97Å; F500-Y516 HydrophobicContact CE1-CE2 3.97Å; F500-Y516 AromaticContact CE2-CE2 3.86Å; F500-Y516 HydrophobicContact CE2-CE2 3.86Å; F500-Y516 HydrophobicContact CG-CD2 4.24Å; F500-Y516 AromaticContact CG-CE2 3.6Å; F500-Y516 HydrophobicContact CG-CE2 3.6Å; F500-Y516 HydrophobicContact CZ-CE2 4.04Å; H512-Y516 PolarHBondContact O-N 2.7Å; Y516-K518 VanDerWaalsContact C-N 3.31Å; Y516-K518 PolarHBondContact O-N 3.01Å; Y516-A519 PolarHBondContact O-N 3.42Å; Y516-C520 VanDerWaalsContact CE1-SG 3.58Å; Y516-C520 PolarHBondContact O-N 3.23Å; Y516-C520 VanDerWaalsContact O-N 3.08Å; Y516-C520 PolarHBondContact O-SG 3.48Å; Y516-H558 AromaticContact CE1-ND1 3.9Å; Y516-H558 AromaticContact CZ-ND1 3.86Å; Y516-H558 PolarHBondContact OH-CE1 3.25Å; Y516-H558 PolarHBondContact OH-ND1 3.5Å; Y516-F562 HydrophobicContact CD1-CB 4.46Å; Y516-F562 AromaticContact CD1-CD1 3.78Å; Y516-F562 HydrophobicContact CD1-CD1 3.78Å; Y516-F562 AromaticContact CD1-CD2 3.65Å; Y516-F562 HydrophobicContact CD1-CD2 3.65Å; Y516-F562 AromaticContact CD1-CE1 3.87Å; Y516-F562 HydrophobicContact CD1-CE1 3.87Å; Y516-F562 AromaticContact CD1-CE2 3.75Å; Y516-F562 HydrophobicContact CD1-CE2 3.75Å; Y516-F562 AromaticContact CD1-CG 3.67Å; Y516-F562 HydrophobicContact CD1-CG 3.67Å; Y516-F562 AromaticContact CD1-CZ 3.86Å; Y516-F562 HydrophobicContact CD1-CZ 3.86Å; Y516-F562 HydrophobicContact CE1-CD1 4.44Å; Y516-F562 AromaticContact CE1-CD2 3.56Å; Y516-F562 HydrophobicContact CE1-CD2 3.56Å; Y516-F562 HydrophobicContact CE1-CE1 4.31Å; Y516-F562 AromaticContact CE1-CE2 3.4Å; Y516-F562 HydrophobicContact CE1-CE2 3.4Å; Y516-F562 VanDerWaalsContact CE1-CE2 3.4Å; Y516-F562 HydrophobicContact CE1-CG 4.09Å; Y516-F562 AromaticContact CE1-CZ 3.81Å; Y516-F562 HydrophobicContact CE1-CZ 3.81Å; Y516-F562 HydrophobicContact CG-CD1 4.43Å; Y516-F562 HydrophobicContact CG-CE1 4.34Å
517T96.6Very high93.9Very high0 Ų039.6 Ų39.60%022%0.221CC..Hα-helixtrans-58.5-43.8177.1-51.50000111.3C513 L514 L515 C520 L521 F562 L563 S566 L577C513-T517 WeakPolarHBondContact O-CB 3.26Å; C513-T517 PolarHBondContact O-N 3.07Å; C513-T517 PolarHBondContact O-OG1 2.87Å; L514-T517 PolarHBondContact O-N 3.5Å; L515-T517 PolarHBondContact O-N 2.98Å; T517-C520 PolarHBondContact O-N 3.14Å; T517-L521 HydrophobicContact CG2-CD1 3.89Å; T517-L521 HydrophobicContact CG2-CG 4.33Å; T517-L521 WeakPolarHBondContact O-CB 3.2Å; T517-L521 VanDerWaalsContact O-CG 3.28Å; T517-L521 WeakPolarHBondContact O-CG 3.38Å; T517-L521 PolarHBondContact O-N 3.39Å; T517-F562 HydrophobicContact CG2-CB 4.37Å; T517-F562 WeakPolarHBondContact OG1-CB 3.38Å; T517-F562 PolarHBondContact OG1-O 3.19Å; T517-L563 HydrophobicContact CG2-CD2 4.1Å; T517-L563 HydrophobicContact CG2-CG 4.41Å; T517-S566 PolarHBondContact OG1-OG 3.43Å; T517-S566 VanDerWaalsContact OG1-OG 3.1Å; T517-L577 HydrophobicContact CG2-CD2 4.09Å
518K96.1Very high93.8Very high83 Ų8334.4 Ų34.436%0.36119%0.187SC..Hα-helixtrans-66.8-39.3180-77.6-163.3175.9-1390113.1L514 L515 Y516 L521 S522 D580 Y581L514-K518 WeakPolarHBondContact O-CB 3.42Å; L514-K518 WeakPolarHBondContact O-CG 3.45Å; L514-K518 PolarHBondContact O-N 2.88Å; L515-K518 PolarHBondContact O-N 3.43Å; Y516-K518 VanDerWaalsContact C-N 3.31Å; Y516-K518 PolarHBondContact O-N 3.01Å; K518-L521 PolarHBondContact O-N 2.78Å; K518-S522 PolarHBondContact O-N 3.41Å; K518-D580 IonicContact NZ-OD2 3.29Å; K518-D580 PolarHBondContact NZ-OD2 3.33Å; K518-Y581 VanDerWaalsContact CA-OH 3.26Å; K518-Y581 WeakPolarHBondContact CA-OH 3.38Å; K518-Y581 VanDerWaalsContact CB-OH 3.23Å; K518-Y581 WeakPolarHBondContact CB-OH 3.29Å; K518-Y581 WeakPolarHBondContact CG-OH 3.3Å; K518-Y581 PolarHBondContact O-OH 3.41Å
519A96.7Very high93.2Very high20 Ų2035 Ų3517%0.16518%0.183CC..Hα-helixtrans-64.1-45.3175.300000112.1L451 T455 L515 Y516 S522 T523L451-A519 HydrophobicContact CB-CB 4.04Å; L451-A519 HydrophobicContact CD1-CB 4.05Å; T455-A519 HydrophobicContact CG2-CB 4.25Å; L515-A519 PolarHBondContact O-N 2.97Å; Y516-A519 PolarHBondContact O-N 3.42Å; A519-S522 PolarHBondContact O-N 2.95Å; A519-T523 PolarHBondContact O-N 3.3Å; A519-T523 VanDerWaalsContact O-N 3.16Å; A519-T523 PolarHBondContact O-OG1 3.26Å; A519-T523 VanDerWaalsContact O-OG1 3.04Å
520C96.6Very high92.1Very high1 Ų136.8 Ų36.81%0.00721%0.207CC..Hα-helixtrans-63.7-42.3175-660000112.1Y516 T517 T523 L524 V559Y516-C520 VanDerWaalsContact CE1-SG 3.58Å; Y516-C520 PolarHBondContact O-N 3.23Å; Y516-C520 VanDerWaalsContact O-N 3.08Å; Y516-C520 PolarHBondContact O-SG 3.48Å; T517-C520 PolarHBondContact O-N 3.14Å; C520-T523 PolarHBondContact O-N 2.96Å; C520-L524 WeakPolarHBondContact O-CB 3.36Å; C520-L524 PolarHBondContact O-N 3.44Å; C520-V559 HydrophobicContact CB-CG2 3.61Å
521L95Very high90.7Very high10 Ų1031.9 Ų31.95%0.05219%0.19CC..Hα-helixtrans-63.3-43.3177.4-79.3171.5000112.6T517 K518 L524 A525 V559 L563 L577 L578 Y581T517-L521 HydrophobicContact CG2-CD1 3.89Å; T517-L521 HydrophobicContact CG2-CG 4.33Å; T517-L521 WeakPolarHBondContact O-CB 3.2Å; T517-L521 VanDerWaalsContact O-CG 3.28Å; T517-L521 WeakPolarHBondContact O-CG 3.38Å; T517-L521 PolarHBondContact O-N 3.39Å; K518-L521 PolarHBondContact O-N 2.78Å; L521-L524 PolarHBondContact O-N 2.91Å; L521-A525 VanDerWaalsContact O-CB 3.26Å; L521-A525 WeakPolarHBondContact O-CB 3.36Å; L521-A525 PolarHBondContact O-N 2.88Å; L521-V559 HydrophobicContact CD2-CG1 3.64Å; L521-V559 HydrophobicContact CD2-CG2 4.42Å; L521-V559 HydrophobicContact CG-CG1 4.41Å; L521-L563 HydrophobicContact CD1-CD2 4.27Å; L521-L577 HydrophobicContact CD1-CG 4.35Å; L521-L578 HydrophobicContact CD1-CD2 4.03Å; L521-L578 HydrophobicContact CD2-CD2 3.58Å; L521-L578 HydrophobicContact CG-CD2 4.49Å; L521-Y581 HydrophobicContact CB-CD1 4.15Å; L521-Y581 HydrophobicContact CB-CD2 3.97Å; L521-Y581 HydrophobicContact CB-CE1 3.89Å; L521-Y581 HydrophobicContact CB-CE2 3.69Å; L521-Y581 HydrophobicContact CB-CG 4.19Å; L521-Y581 HydrophobicContact CD1-CD2 3.96Å; L521-Y581 HydrophobicContact CD1-CE2 3.67Å; L521-Y581 HydrophobicContact CG-CD2 4.47Å; L521-Y581 HydrophobicContact CG-CE2 4.31Å
522S94.3Very high88.8Confident52 Ų5229 Ų2936%0.36418%0.177SC..Hα-helixtrans-60.8-49.6177.2-160.50000110.8K518 A519 L524 A525 D526K518-S522 PolarHBondContact O-N 3.41Å; A519-S522 PolarHBondContact O-N 2.95Å; S522-L524 VanDerWaalsContact C-N 3.31Å; S522-L524 PolarHBondContact O-N 3.5Å; S522-A525 CarbonylContact O-C 3.55Å; S522-A525 WeakPolarHBondContact O-CA 3.38Å; S522-A525 WeakPolarHBondContact O-CB 3.48Å; S522-A525 PolarHBondContact O-N 2.83Å; S522-D526 PolarHBondContact O-N 2.91Å
523T94.5Very high86.6Confident19 Ų1937.1 Ų37.112%0.11721%0.207CC..Hα-helixtrans-64.4-36.2-178.4-56.50000112.4T455 R459 A519 C520 D526 L527 L555T455-T523 WeakPolarHBondContact CB-OG1 3.41Å; T455-T523 PolarHBondContact OG1-OG1 3.1Å; R459-T523 HydrophobicContact CB-CG2 4.02Å; R459-T523 HydrophobicContact CG-CG2 4.47Å; A519-T523 PolarHBondContact O-N 3.3Å; A519-T523 VanDerWaalsContact O-N 3.16Å; A519-T523 PolarHBondContact O-OG1 3.26Å; A519-T523 VanDerWaalsContact O-OG1 3.04Å; C520-T523 PolarHBondContact O-N 2.96Å; T523-D526 PolarHBondContact O-N 2.84Å; T523-L527 WeakPolarHBondContact O-CB 3.37Å; T523-L527 PolarHBondContact O-N 3.32Å; T523-L555 HydrophobicContact CG2-CD1 4.3Å; T523-L555 HydrophobicContact CG2-CD2 3.95Å
524L92.7Very high84.2Confident4 Ų439 Ų392%0.02122%0.217CC..Hα-helixtrans-68.2-40.8172.7-177.362.8000111.4C520 L521 S522 D526 L527 L528 L555 M556 V559 F592C520-L524 WeakPolarHBondContact O-CB 3.36Å; C520-L524 PolarHBondContact O-N 3.44Å; L521-L524 PolarHBondContact O-N 2.91Å; S522-L524 VanDerWaalsContact C-N 3.31Å; S522-L524 PolarHBondContact O-N 3.5Å; L524-D526 VanDerWaalsContact C-N 3.28Å; L524-D526 PolarHBondContact O-N 3.42Å; L524-L527 PolarHBondContact O-N 2.99Å; L524-L528 HydrophobicContact CD1-CD1 3.72Å; L524-L528 HydrophobicContact CD1-CG 3.78Å; L524-L528 HydrophobicContact CD2-CD1 4.37Å; L524-L528 HydrophobicContact CG-CD1 3.85Å; L524-L528 HydrophobicContact CG-CG 4.23Å; L524-L528 WeakPolarHBondContact O-CB 3.41Å; L524-L528 WeakPolarHBondContact O-CG 3.24Å; L524-L528 PolarHBondContact O-N 2.83Å; L524-L555 HydrophobicContact CB-CD2 4.13Å; L524-L555 HydrophobicContact CB-CG 4.28Å; L524-L555 HydrophobicContact CD1-CD2 4.17Å; L524-L555 HydrophobicContact CD1-CG 4.38Å; L524-M556 HydrophobicContact CD1-CG 3.47Å; L524-M556 VanDerWaalsContact CD1-CG 3.47Å; L524-M556 HydrophobicContact CD1-SD 4.38Å; L524-M556 HydrophobicContact CD2-CG 4.12Å; L524-M556 HydrophobicContact CG-CG 4.48Å; L524-V559 HydrophobicContact CB-CG2 4.08Å; L524-V559 HydrophobicContact CD2-CB 4.07Å; L524-V559 HydrophobicContact CD2-CG1 3.98Å; L524-V559 HydrophobicContact CD2-CG2 3.82Å; L524-F592 HydrophobicContact CD2-CD1 4.05Å; L524-F592 HydrophobicContact CD2-CE1 3.76Å; L524-F592 HydrophobicContact CD2-CZ 4.01Å
525A90.8Very high81.6Confident2 Ų240 Ų402%0.01722%0.222CC..Hα-helixtrans-64.6-31176.600000112.5L521 S522 N529 Y581 K585 L588L521-A525 VanDerWaalsContact O-CB 3.26Å; L521-A525 WeakPolarHBondContact O-CB 3.36Å; L521-A525 PolarHBondContact O-N 2.88Å; S522-A525 CarbonylContact O-C 3.55Å; S522-A525 WeakPolarHBondContact O-CA 3.38Å; S522-A525 WeakPolarHBondContact O-CB 3.48Å; S522-A525 PolarHBondContact O-N 2.83Å; A525-N529 WeakPolarHBondContact O-CB 3.43Å; A525-N529 PolarHBondContact O-N 3.2Å; A525-Y581 HydrophobicContact CB-CD1 4.23Å; A525-K585 HydrophobicContact CB-CD 4.02Å; A525-K585 WeakPolarHBondContact O-CD 3.38Å; A525-K585 PolarHBondContact O-NZ 2.99Å; A525-L588 HydrophobicContact CB-CD1 4.35Å; A525-L588 HydrophobicContact CB-CD2 3.69Å
526D87.5Confident78.7Confident72 Ų7238.6 Ų38.639%0.38522%0.218SC..Hα-helixtrans-79.6-39.3174.5-65.3-37.7000112.4S522 T523 L524 G530 K585S522-D526 PolarHBondContact O-N 2.91Å; T523-D526 PolarHBondContact O-N 2.84Å; L524-D526 VanDerWaalsContact C-N 3.28Å; L524-D526 PolarHBondContact O-N 3.42Å; D526-G530 PolarHBondContact O-N 3.27Å; D526-G530 VanDerWaalsContact O-N 3.12Å; D526-K585 IonicContact OD1-NZ 2.73Å; D526-K585 PolarHBondContact OD1-NZ 3.27Å
527L86.7Confident76Confident16 Ų1643.5 Ų43.58%0.08425%0.25CS..Hα-helixtrans-59.9-55.1173.6176.463000111.5R459 Q462 F463 T523 L524 N529 G530 L531 L555R459-L527 HydrophobicContact CG-CB 4.49Å; R459-L527 HydrophobicContact CG-CD1 4.16Å; R459-L527 HydrophobicContact CG-CD2 4.29Å; Q462-L527 HydrophobicContact CB-CD2 4.07Å; Q462-L527 HydrophobicContact CG-CD2 3.87Å; F463-L527 HydrophobicContact CE2-CD2 4.48Å; T523-L527 WeakPolarHBondContact O-CB 3.37Å; T523-L527 PolarHBondContact O-N 3.32Å; L524-L527 PolarHBondContact O-N 2.99Å; L527-N529 VanDerWaalsContact C-N 3.26Å; L527-N529 PolarHBondContact O-N 3.28Å; L527-G530 PolarHBondContact O-N 3.45Å; L527-L531 HydrophobicContact CD1-CD1 3.82Å; L527-L531 HydrophobicContact CD1-CG 4.36Å; L527-L531 HydrophobicContact CG-CD1 3.89Å; L527-L531 WeakPolarHBondContact O-CG 3.42Å; L527-L531 PolarHBondContact O-N 3.3Å; L527-L555 HydrophobicContact CD2-CD2 3.87Å
528L84.5Confident73.1Confident1 Ų149.1 Ų49.11%0.00529%0.285CS..Hα-helixtrans-72.1-16.8-177.1-67.3-178.3000113.3L524 L531 M556 L588 R591 F592 H595L524-L528 HydrophobicContact CD1-CD1 3.72Å; L524-L528 HydrophobicContact CD1-CG 3.78Å; L524-L528 HydrophobicContact CD2-CD1 4.37Å; L524-L528 HydrophobicContact CG-CD1 3.85Å; L524-L528 HydrophobicContact CG-CG 4.23Å; L524-L528 WeakPolarHBondContact O-CB 3.41Å; L524-L528 WeakPolarHBondContact O-CG 3.24Å; L524-L528 PolarHBondContact O-N 2.83Å; L528-L531 HydrophobicContact CD2-CD1 4.26Å; L528-M556 HydrophobicContact CD1-CE 4.33Å; L528-M556 HydrophobicContact CD2-CE 4.25Å; L528-L588 HydrophobicContact CB-CD1 3.63Å; L528-L588 HydrophobicContact CD1-CD1 3.7Å; L528-L588 HydrophobicContact CG-CD1 4.25Å; L528-R591 HydrophobicContact CB-CB 4.49Å; L528-R591 WeakPolarHBondContact O-CD 3.22Å; L528-R591 PolarHBondContact O-NH1 2.92Å; L528-F592 HydrophobicContact CD1-CB 3.83Å; L528-F592 HydrophobicContact CD1-CG 4.3Å; L528-H595 VanDerWaalsContact CD2-CD2 3.48Å; L528-H595 WeakPolarHBondContact CD2-CD2 3.42Å
529N79.5Confident70.3Confident92 Ų9248.3 Ų48.349%0.49229%0.287SS..Hα-helixtrans-80.9-44.3172.1-164.258.7000112A525 L527 K585 R591A525-N529 WeakPolarHBondContact O-CB 3.43Å; A525-N529 PolarHBondContact O-N 3.2Å; L527-N529 VanDerWaalsContact C-N 3.26Å; L527-N529 PolarHBondContact O-N 3.28Å; N529-K585 HydrophobicContact CB-CD 4.06Å; N529-R591 PolarHBondContact O-NH1 3.44Å
530G69.3Low67.3Low58 Ų5852 Ų5260%0.59831%0.309SS*.Hα-helixtrans-71.2-26.6178.500000114.3D526 L527 G532D526-G530 PolarHBondContact O-N 3.27Å; D526-G530 VanDerWaalsContact O-N 3.12Å; L527-G530 PolarHBondContact O-N 3.45Å; G530-G532 PolarHBondContact O-N 3.26Å
531L65.8Low64.4Low11 Ų1160.9 Ų60.96%0.05835%0.35CS..  trans-65.5118.6171-81.6161.3000111.3F463 L527 L528 L534 R591F463-L531 HydrophobicContact CE2-CD1 3.64Å; F463-L531 HydrophobicContact CZ-CD1 4.21Å; L527-L531 HydrophobicContact CD1-CD1 3.82Å; L527-L531 HydrophobicContact CD1-CG 4.36Å; L527-L531 HydrophobicContact CG-CD1 3.89Å; L527-L531 WeakPolarHBondContact O-CG 3.42Å; L527-L531 PolarHBondContact O-N 3.3Å; L528-L531 HydrophobicContact CD2-CD1 4.26Å; L531-L534 HydrophobicContact CD2-CD2 4.08Å; L531-R591 PolarHBondContact O-NH1 2.94Å
532G55.4Low61.6Low28 Ų2866.4 Ų66.429%0.28939%0.385SS..  trans-65.7-179.6158.200000111.5G530 L534G530-G532 PolarHBondContact O-N 3.26Å; G532-L534 PolarHBondContact O-N 2.99Å
533R49.9Very low58.9Low195 Ų19572 Ų7274%0.73640%0.398SS*.  trans-58.9135.1165-69.9-178178.1166.51.9108.3I535R533-I535 PolarHBondContact O-N 2.99Å
534L47.4Very low56.5Low38 Ų3874.9 Ų74.920%0.19942%0.417CS..SBendtrans-71.731.3175.1-69.2174.1000113L404 L531 G532L404-L534 HydrophobicContact CD2-CD2 3.84Å; L531-L534 HydrophobicContact CD2-CD2 4.08Å; G532-L534 PolarHBondContact O-N 2.99Å
535I40.5Very low54.4Low63 Ų6378.3 Ų78.332%0.32344%0.438SS..SBendtrans-150.7126.8-176.7-54.1166.2000105.6R533 T545R533-I535 PolarHBondContact O-N 2.99Å; I535-T545 VanDerWaalsContact CD1-O 3.24Å; I535-T545 WeakPolarHBondContact CD1-O 3.15Å
536S36.8Very low52.8Low45 Ų4579.8 Ų79.832%0.31544%0.443SS..  trans-66.9139.1175.4-173.20000111.2T538S536-T538 PolarHBondContact O-N 2.62Å; S536-T538 PolarHBondContact OG-N 2.8Å; S536-T538 PolarHBondContact OG-OG1 3.4Å
537P39.1Very low51.7Low103 Ų10377.5 Ų77.567%0.66943%0.433SS*.THydrogen-bonded Turntrans-68.8-9.6171.330.5-36.2000113.6V539P537-V539 VanDerWaalsContact C-N 3.26Å; P537-V539 PolarHBondContact O-N 3.38Å
538T36.6Very low51.3Low119 Ų11977.8 Ų77.873%0.7344%0.437SS*.THydrogen-bonded Turntrans-79.97.4-174.257.50000115.3S536S536-T538 PolarHBondContact O-N 2.62Å; S536-T538 PolarHBondContact OG-N 2.8Å; S536-T538 PolarHBondContact OG-OG1 3.4Å
539V37Very low51.3Low66 Ų6677.7 Ų77.740%0.444%0.437SS..SBendtrans-94.2120.4174.4-177.10000109.4P537 E541P537-V539 VanDerWaalsContact C-N 3.26Å; P537-V539 PolarHBondContact O-N 3.38Å; V539-E541 PolarHBondContact O-N 2.9Å
540P33.4Very low51.8Low97 Ų9773.6 Ų73.663%0.6342%0.415SS*.  trans-55.3137.1179.8-27.935.6000113.3T542 R543P540-T542 PolarHBondContact O-N 3.37Å; P540-T542 PolarHBondContact O-OG1 3.02Å; P540-R543 PolarHBondContact O-N 3.45Å
541E35.2Very low52.9Low188 Ų18870.9 Ų70.988%0.87939%0.387SS*.THydrogen-bonded Turntrans-52.6-20-162.5-57.6179.9119.500116.1V539 R543 P544V539-E541 PolarHBondContact O-N 2.9Å; E541-R543 PolarHBondContact O-N 3.45Å; E541-P544 WeakPolarHBondContact O-CD 3.1Å
542T37.2Very low54.2Low126 Ų12670.3 Ų70.377%0.77338%0.384SS*.THydrogen-bonded Turntrans-49.9-26.5175.865.60000114.7P540P540-T542 PolarHBondContact O-N 3.37Å; P540-T542 PolarHBondContact O-OG1 3.02Å
543R38.1Very low56Low168 Ų16869 Ų6963%0.63437%0.371SS*.  trans-146.991.8175.5-62.9-172.8-173.1-172.64.4112.8P540 E541 T545P540-R543 PolarHBondContact O-N 3.45Å; E541-R543 PolarHBondContact O-N 3.45Å; R543-T545 PolarHBondContact O-N 3.32Å
544P43.7Very low58.2Low80 Ų8059.8 Ų59.852%0.51934%0.336SS..PPolyproline II helixtrans-56.1117.6159.319-29.6000109.3E541 R666E541-P544 WeakPolarHBondContact O-CD 3.1Å; P544-R666 VanDerWaalsContact CD-NH2 3.33Å; P544-R666 VanDerWaalsContact O-CZ 3.29Å; P544-R666 PolarHBondContact O-NH1 2.84Å; P544-R666 PolarHBondContact O-NH2 3.08Å
545T48.6Very low60.5Low76 Ų7658 Ų5847%0.46633%0.326SS..PPolyproline II helixtrans-77.9137.9174.138.30000109.2I535 R543 S547I535-T545 VanDerWaalsContact CD1-O 3.24Å; I535-T545 WeakPolarHBondContact CD1-O 3.15Å; R543-T545 PolarHBondContact O-N 3.32Å; T545-S547 PolarHBondContact O-N 3.37Å
546R57.5Low63.1Low34 Ų3455 Ų5513%0.12831%0.311CS..PPolyproline II helixtrans-69.4129.4177.7-172.6-116.7-173.586.29.8108.9N598 E605R546-N598 PolarHBondContact NE-OD1 3.37Å; R546-N598 PolarHBondContact NH2-O 2.82Å; R546-N598 PolarHBondContact NH2-OD1 3.29Å; R546-E605 IonicContact CZ-OE2 3.43Å; R546-E605 IonicContact NH1-OE1 2.71Å; R546-E605 PolarHBondContact NH1-OE1 2.94Å; R546-E605 IonicContact NH1-OE2 2.71Å; R546-E605 PolarHBondContact NH1-OE2 2.74Å; R546-E605 IonicContact NH2-OE2 2.75Å; R546-E605 PolarHBondContact NH2-OE2 2.76Å
547S63.8Low65.9Low24 Ų2453 Ų5317%0.16830%0.297CS..PPolyproline II helixtrans-55.3151.6175.249.20000112T545 N598T545-S547 PolarHBondContact O-N 3.37Å; S547-N598 PolarHBondContact OG-ND2 3.41Å
548A77.7Confident68.7Low21 Ų2148 Ų4817%0.17427%0.265CS..PPolyproline II helixtrans-52.8144.7176.700000112.2C466 N598C466-A548 HydrophobicContact CB-CB 4.11Å; A548-N598 PolarHBondContact O-ND2 3.17Å
549L85.3Confident71.5Confident0 Ų042.4 Ų42.40%023%0.23CC..BIsolated β-bridgetrans-103.4104.3178.917663000109F467 L551 I599 V606 W611F467-L549 WeakPolarHBondContact CD2-O 3.44Å; F467-L549 PolarHBondContact N-O 2.99Å; F467-L549 PolarHBondContact O-N 3.08Å; L549-L551 HydrophobicContact CD1-CD2 4.02Å; L549-L551 HydrophobicContact CG-CD2 4.29Å; L549-I599 HydrophobicContact CD1-CG1 4.24Å; L549-V606 HydrophobicContact CD2-CG2 4.5Å; L549-W611 HydrophobicContact CB-CH2 3.7Å; L549-W611 HydrophobicContact CB-CZ2 3.95Å; L549-W611 HydrophobicContact CD2-CH2 4.03Å; L549-W611 HydrophobicContact CD2-CZ2 3.67Å; L549-W611 HydrophobicContact CG-CZ2 4.48Å
550S88.8Confident74.3Confident5 Ų539.3 Ų39.34%0.03521%0.211CC..  trans-103.6143.6161.2170.50000108.9M464 C466 H552 I599M464-S550 WeakPolarHBondContact O-CB 3.37Å; M464-S550 PolarHBondContact O-OG 2.94Å; C466-S550 VanDerWaalsContact SG-CB 3.57Å; S550-H552 VanDerWaalsContact C-N 3.35Å; S550-H552 PolarHBondContact OG-N 3.33Å; S550-I599 WeakPolarHBondContact O-CD1 3.2Å; S550-I599 VanDerWaalsContact O-CG1 3.29Å; S550-I599 WeakPolarHBondContact O-CG1 3.27Å
551L92.9Very high77.3Confident1 Ų134.7 Ų34.71%0.00518%0.181CC..  trans-95.39.2172.7-53.9-177.7000112.3F486 L549 R557 I599 S621 V622 Y625F486-L551 HydrophobicContact CZ-CB 4.49Å; F486-L551 HydrophobicContact CZ-CD1 4.42Å; L549-L551 HydrophobicContact CD1-CD2 4.02Å; L549-L551 HydrophobicContact CG-CD2 4.29Å; L551-R557 VanDerWaalsContact O-CZ 3.28Å; L551-R557 PolarHBondContact O-NH1 2.99Å; L551-R557 PolarHBondContact O-NH2 3.33Å; L551-I599 HydrophobicContact CD2-CG2 3.97Å; L551-S621 VanDerWaalsContact CD1-C 3.43Å; L551-S621 WeakPolarHBondContact CD1-O 3.17Å; L551-V622 HydrophobicContact CD1-CG2 3.9Å; L551-Y625 HydrophobicContact CD1-CG 4.4Å
552H93.4Very high80.1Confident0 Ų025.7 Ų25.70%014%0.139CC..  trans-113.993.8-168-59.4-72.5000111.4F463 M464 N465 F486 E489 S550 P554F463-H552 PolarHBondContact N-O 3.31Å; M464-H552 HydrophobicContact CE-CB 3.75Å; M464-H552 HydrophobicContact CG-CB 3.52Å; M464-H552 PolarHBondContact O-CD2 2.94Å; M464-H552 VanDerWaalsContact O-CD2 3.31Å; M464-H552 HydrophobicContact SD-CB 4.49Å; N465-H552 PolarHBondContact ND2-NE2 3.46Å; N465-H552 VanDerWaalsContact ND2-NE2 3.14Å; F486-H552 AromaticContact CD2-CE1 3.69Å; F486-H552 AromaticContact CE2-CE1 3.76Å; F486-H552 AromaticContact CG-CE1 3.93Å; E489-H552 WeakPolarHBondContact OE2-CA 3.23Å; E489-H552 WeakPolarHBondContact OE2-CB 3.26Å; E489-H552 IonicContact OE2-CE1 2.67Å; E489-H552 IonicContact OE2-CG 2.75Å; E489-H552 IonicContact OE2-ND1 2.69Å; E489-H552 PolarHBondContact OE2-ND1 3.41Å; S550-H552 VanDerWaalsContact C-N 3.35Å; S550-H552 PolarHBondContact OG-N 3.33Å; H552-P554 WeakPolarHBondContact O-CD 3.31Å
553L93.7Very high82.9Confident1 Ų119.9 Ų19.91%0.00510%0.103CC..  trans-121.149-178.5-56.7-175000113.2Q462 F463 L555 M556 R557 L596 I599Q462-L553 HydrophobicContact CG-CD2 4.36Å; F463-L553 HydrophobicContact CD1-CD2 3.73Å; F463-L553 HydrophobicContact CE1-CD2 3.42Å; F463-L553 VanDerWaalsContact CE1-CD2 3.42Å; F463-L553 HydrophobicContact CZ-CD2 4.15Å; L553-L555 PolarHBondContact O-N 3.32Å; L553-M556 HydrophobicContact CB-CB 4.11Å; L553-M556 HydrophobicContact CB-SD 4.04Å; L553-M556 HydrophobicContact CD1-CE 4.49Å; L553-M556 HydrophobicContact CD1-SD 3.82Å; L553-M556 HydrophobicContact CD2-SD 3.88Å; L553-M556 HydrophobicContact CG-SD 4.14Å; L553-M556 PolarHBondContact O-N 2.79Å; L553-M556 VanDerWaalsContact O-N 3.07Å; L553-R557 VanDerWaalsContact N-NH1 3.14Å; L553-R557 PolarHBondContact O-N 3.25Å; L553-L596 HydrophobicContact CD1-CD2 4.18Å; L553-I599 HydrophobicContact CD1-CD1 3.33Å; L553-I599 HydrophobicContact CD1-CG1 4.49Å; L553-I599 HydrophobicContact CD2-CD1 4.32Å; L553-I599 HydrophobicContact CG-CD1 3.59Å
554P95Very high85.6Confident0 Ų013 Ų130%08%0.078CC..Hα-helixtrans-54.5-48.5-17219.7-32.2000114.2I458 M461 E489 S493 H552 M556 R557 H558I458-P554 HydrophobicContact CG2-CB 4.2Å; M461-P554 HydrophobicContact CB-CG 3.62Å; E489-P554 HydrophobicContact CG-CB 4.2Å; E489-P554 VanDerWaalsContact OE1-CD 3.31Å; E489-P554 WeakPolarHBondContact OE1-CD 3.18Å; S493-P554 VanDerWaalsContact OG-CB 3.23Å; S493-P554 WeakPolarHBondContact OG-CB 3.47Å; H552-P554 WeakPolarHBondContact O-CD 3.31Å; P554-M556 PolarHBondContact O-N 3.33Å; P554-R557 WeakPolarHBondContact O-CA 3.35Å; P554-R557 WeakPolarHBondContact O-CB 3.35Å; P554-R557 PolarHBondContact O-N 3.48Å; P554-H558 PolarHBondContact O-CD2 2.78Å; P554-H558 VanDerWaalsContact O-CD2 3.22Å; P554-H558 PolarHBondContact O-N 3.36Å
555L96Very high87.9Confident0 Ų09.1 Ų9.10%05%0.053CC..Hα-helixtrans-54.6-43.9175.2-174.663.6000114.2I458 R459 T523 L524 L527 L553 R557 H558 V559I458-L555 VanDerWaalsContact CG2-CA 3.5Å; I458-L555 HydrophobicContact CG2-CB 3.87Å; I458-L555 HydrophobicContact CG2-CD1 4.1Å; R459-L555 HydrophobicContact CB-CD2 4.18Å; T523-L555 HydrophobicContact CG2-CD1 4.3Å; T523-L555 HydrophobicContact CG2-CD2 3.95Å; L524-L555 HydrophobicContact CB-CD2 4.13Å; L524-L555 HydrophobicContact CB-CG 4.28Å; L524-L555 HydrophobicContact CD1-CD2 4.17Å; L524-L555 HydrophobicContact CD1-CG 4.38Å; L527-L555 HydrophobicContact CD2-CD2 3.87Å; L553-L555 PolarHBondContact O-N 3.32Å; L555-R557 VanDerWaalsContact C-N 3.32Å; L555-R557 PolarHBondContact O-N 2.89Å; L555-H558 PolarHBondContact O-N 2.94Å; L555-V559 WeakPolarHBondContact O-CG2 3.37Å; L555-V559 PolarHBondContact O-N 3.46Å
556M95.8Very high90.1Very high1 Ų15.5 Ų5.51%0.0053%0.031CC..Hα-helixtrans-67.7-31.7176.7-69.3154.411300112.2Q462 L524 L528 L553 P554 V559 S560 F592 H595Q462-M556 PolarHBondContact OE1-SD 2.96Å; L524-M556 HydrophobicContact CD1-CG 3.47Å; L524-M556 VanDerWaalsContact CD1-CG 3.47Å; L524-M556 HydrophobicContact CD1-SD 4.38Å; L524-M556 HydrophobicContact CD2-CG 4.12Å; L524-M556 HydrophobicContact CG-CG 4.48Å; L528-M556 HydrophobicContact CD1-CE 4.33Å; L528-M556 HydrophobicContact CD2-CE 4.25Å; L553-M556 HydrophobicContact CB-CB 4.11Å; L553-M556 HydrophobicContact CB-SD 4.04Å; L553-M556 HydrophobicContact CD1-CE 4.49Å; L553-M556 HydrophobicContact CD1-SD 3.82Å; L553-M556 HydrophobicContact CD2-SD 3.88Å; L553-M556 HydrophobicContact CG-SD 4.14Å; L553-M556 PolarHBondContact O-N 2.79Å; L553-M556 VanDerWaalsContact O-N 3.07Å; P554-M556 PolarHBondContact O-N 3.33Å; M556-V559 PolarHBondContact O-N 3.19Å; M556-S560 VanDerWaalsContact O-CB 3.26Å; M556-S560 WeakPolarHBondContact O-CB 3.46Å; M556-S560 PolarHBondContact O-N 3.39Å; M556-F592 HydrophobicContact CB-CE2 3.78Å; M556-F592 HydrophobicContact CB-CZ 4.21Å; M556-F592 HydrophobicContact CE-CD2 3.36Å; M556-F592 HydrophobicContact CE-CE2 3.82Å; M556-F592 HydrophobicContact CE-CG 4.27Å; M556-F592 HydrophobicContact CG-CD2 4.25Å; M556-F592 HydrophobicContact CG-CE2 3.78Å; M556-F592 HydrophobicContact CG-CZ 4.37Å; M556-H595 HydrophobicContact CE-CB 3.72Å
557R95.5Very high91.7Very high2 Ų24.4 Ų4.41%0.0083%0.028CC..Hα-helixtrans-72.7-39.1175.2-70.9160.5-175.5159.9-0.1112.2E489 L551 L553 P554 L555 S560 C561 S633 L637 D638E489-R557 VanDerWaalsContact CD-NH1 3.34Å; E489-R557 IonicContact OE1-CZ 2.76Å; E489-R557 IonicContact OE1-NH1 3.55Å; E489-R557 PolarHBondContact OE1-NH1 3.23Å; E489-R557 IonicContact OE2-NH1 3.92Å; E489-R557 PolarHBondContact OE2-NH1 3.03Å; L551-R557 VanDerWaalsContact O-CZ 3.28Å; L551-R557 PolarHBondContact O-NH1 2.99Å; L551-R557 PolarHBondContact O-NH2 3.33Å; L553-R557 VanDerWaalsContact N-NH1 3.14Å; L553-R557 PolarHBondContact O-N 3.25Å; P554-R557 WeakPolarHBondContact O-CA 3.35Å; P554-R557 WeakPolarHBondContact O-CB 3.35Å; P554-R557 PolarHBondContact O-N 3.48Å; L555-R557 VanDerWaalsContact C-N 3.32Å; L555-R557 PolarHBondContact O-N 2.89Å; R557-S560 WeakPolarHBondContact O-CB 3.49Å; R557-S560 PolarHBondContact O-N 2.89Å; R557-C561 VanDerWaalsContact O-CB 3.31Å; R557-C561 WeakPolarHBondContact O-CB 3.43Å; R557-C561 PolarHBondContact O-N 3.31Å; R557-S633 WeakPolarHBondContact CD-O 3.22Å; R557-L637 HydrophobicContact CB-CD1 4.23Å; R557-L637 HydrophobicContact CG-CB 4.36Å; R557-D638 VanDerWaalsContact CG-OD1 3.26Å; R557-D638 WeakPolarHBondContact CG-OD1 3.28Å; R557-D638 IonicContact CZ-OD1 2.79Å; R557-D638 IonicContact CZ-OD2 2.81Å; R557-D638 IonicContact NE-OD1 2.7Å; R557-D638 PolarHBondContact NE-OD1 3.01Å; R557-D638 IonicContact NE-OD2 3.76Å; R557-D638 PolarHBondContact NE-OD2 2.93Å; R557-D638 IonicContact NH2-OD1 3.2Å; R557-D638 IonicContact NH2-OD2 3.62Å; R557-D638 PolarHBondContact NH2-OD2 3.42Å
558H96.9Very high93Very high0 Ų06.1 Ų6.10%03%0.034CC..Hα-helixtrans-59.4-50.1168-80.2-118.4000110.9W454 S493 Y516 P554 L555 S560 C561 F562W454-H558 AromaticContact CZ2-CE1 3.91Å; S493-H558 PolarHBondContact O-NE2 3.47Å; S493-H558 PolarHBondContact OG-CD2 3.44Å; S493-H558 VanDerWaalsContact OG-CD2 3.24Å; S493-H558 PolarHBondContact OG-NE2 2.82Å; Y516-H558 AromaticContact CE1-ND1 3.9Å; Y516-H558 AromaticContact CZ-ND1 3.86Å; Y516-H558 PolarHBondContact OH-CE1 3.25Å; Y516-H558 PolarHBondContact OH-ND1 3.5Å; P554-H558 PolarHBondContact O-CD2 2.78Å; P554-H558 VanDerWaalsContact O-CD2 3.22Å; P554-H558 PolarHBondContact O-N 3.36Å; L555-H558 PolarHBondContact O-N 2.94Å; H558-S560 VanDerWaalsContact C-N 3.32Å; H558-S560 PolarHBondContact O-N 2.88Å; H558-C561 PolarHBondContact O-N 2.87Å; H558-F562 WeakPolarHBondContact O-CD2 3.46Å; H558-F562 PolarHBondContact O-N 3.1Å
559V96.3Very high93.4Very high0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-56.2-46.2174.5167.30000111.2C520 L521 L524 L555 M556 L563 F592C520-V559 HydrophobicContact CB-CG2 3.61Å; L521-V559 HydrophobicContact CD2-CG1 3.64Å; L521-V559 HydrophobicContact CD2-CG2 4.42Å; L521-V559 HydrophobicContact CG-CG1 4.41Å; L524-V559 HydrophobicContact CB-CG2 4.08Å; L524-V559 HydrophobicContact CD2-CB 4.07Å; L524-V559 HydrophobicContact CD2-CG1 3.98Å; L524-V559 HydrophobicContact CD2-CG2 3.82Å; L555-V559 WeakPolarHBondContact O-CG2 3.37Å; L555-V559 PolarHBondContact O-N 3.46Å; M556-V559 PolarHBondContact O-N 3.19Å; V559-L563 HydrophobicContact CG1-CD1 3.63Å; V559-L563 HydrophobicContact CG1-CG 4.11Å; V559-L563 VanDerWaalsContact O-CB 3.22Å; V559-L563 WeakPolarHBondContact O-CB 3.38Å; V559-L563 WeakPolarHBondContact O-CG 3.48Å; V559-L563 PolarHBondContact O-N 3.09Å; V559-F592 HydrophobicContact CG1-CE1 4.13Å; V559-F592 HydrophobicContact CG1-CZ 4.34Å
560S96.1Very high93.8Very high1 Ų19.6 Ų9.61%0.0075%0.047CC..Hα-helixtrans-58.5-50.3178.1-175.40000112.6M556 R557 H558 F562 L563 H564 L637 F640M556-S560 VanDerWaalsContact O-CB 3.26Å; M556-S560 WeakPolarHBondContact O-CB 3.46Å; M556-S560 PolarHBondContact O-N 3.39Å; R557-S560 WeakPolarHBondContact O-CB 3.49Å; R557-S560 PolarHBondContact O-N 2.89Å; H558-S560 VanDerWaalsContact C-N 3.32Å; H558-S560 PolarHBondContact O-N 2.88Å; S560-F562 PolarHBondContact O-N 2.98Å; S560-L563 PolarHBondContact O-N 3.04Å; S560-H564 WeakPolarHBondContact O-CB 3.49Å; S560-H564 PolarHBondContact O-N 2.94Å; S560-L637 PolarHBondContact OG-O 3Å; S560-F640 WeakPolarHBondContact O-CE1 3.46Å; S560-F640 WeakPolarHBondContact OG-CD1 3.47Å
561C95Very high93.9Very high0 Ų012.2 Ų12.20%08%0.075CC..Hα-helixtrans-63.2-42.3-177.6-172.50000112.4M497 W498 W501 R557 H558 H564 L565 L637M497-C561 HydrophobicContact CG-CB 4.31Å; M497-C561 HydrophobicContact SD-CB 3.69Å; W498-C561 WeakPolarHBondContact CZ3-SG 3.07Å; W501-C561 VanDerWaalsContact CD1-SG 3.5Å; R557-C561 VanDerWaalsContact O-CB 3.31Å; R557-C561 WeakPolarHBondContact O-CB 3.43Å; R557-C561 PolarHBondContact O-N 3.31Å; H558-C561 PolarHBondContact O-N 2.87Å; C561-H564 WeakPolarHBondContact O-CB 3.44Å; C561-H564 PolarHBondContact O-N 3.3Å; C561-L565 PolarHBondContact O-N 2.82Å; C561-L637 HydrophobicContact CB-CD1 4.07Å; C561-L637 HydrophobicContact CB-CD2 3.92Å
562F96Very high93.9Very high0 Ų012.9 Ų12.90%08%0.079CC..Hα-helixtrans-84.7-24.9-177.9-77.3-88.6000113.8M497 F500 W501 C504 Y516 T517 H558 S560 L565 S566M497-F562 HydrophobicContact CG-CE2 4.04Å; F500-F562 HydrophobicContact CB-CE1 4.42Å; F500-F562 HydrophobicContact CB-CE2 4.43Å; F500-F562 HydrophobicContact CB-CZ 3.63Å; W501-F562 HydrophobicContact CB-CZ 4.08Å; C504-F562 HydrophobicContact CB-CE1 4.22Å; Y516-F562 HydrophobicContact CD1-CB 4.46Å; Y516-F562 AromaticContact CD1-CD1 3.78Å; Y516-F562 HydrophobicContact CD1-CD1 3.78Å; Y516-F562 AromaticContact CD1-CD2 3.65Å; Y516-F562 HydrophobicContact CD1-CD2 3.65Å; Y516-F562 AromaticContact CD1-CE1 3.87Å; Y516-F562 HydrophobicContact CD1-CE1 3.87Å; Y516-F562 AromaticContact CD1-CE2 3.75Å; Y516-F562 HydrophobicContact CD1-CE2 3.75Å; Y516-F562 AromaticContact CD1-CG 3.67Å; Y516-F562 HydrophobicContact CD1-CG 3.67Å; Y516-F562 AromaticContact CD1-CZ 3.86Å; Y516-F562 HydrophobicContact CD1-CZ 3.86Å; Y516-F562 HydrophobicContact CE1-CD1 4.44Å; Y516-F562 AromaticContact CE1-CD2 3.56Å; Y516-F562 HydrophobicContact CE1-CD2 3.56Å; Y516-F562 HydrophobicContact CE1-CE1 4.31Å; Y516-F562 AromaticContact CE1-CE2 3.4Å; Y516-F562 HydrophobicContact CE1-CE2 3.4Å; Y516-F562 VanDerWaalsContact CE1-CE2 3.4Å; Y516-F562 HydrophobicContact CE1-CG 4.09Å; Y516-F562 AromaticContact CE1-CZ 3.81Å; Y516-F562 HydrophobicContact CE1-CZ 3.81Å; Y516-F562 HydrophobicContact CG-CD1 4.43Å; Y516-F562 HydrophobicContact CG-CE1 4.34Å; T517-F562 HydrophobicContact CG2-CB 4.37Å; T517-F562 WeakPolarHBondContact OG1-CB 3.38Å; T517-F562 PolarHBondContact OG1-O 3.19Å; H558-F562 WeakPolarHBondContact O-CD2 3.46Å; H558-F562 PolarHBondContact O-N 3.1Å; S560-F562 PolarHBondContact O-N 2.98Å; F562-L565 HydrophobicContact CD1-CD2 4.2Å; F562-L565 HydrophobicContact CE1-CD2 4.14Å; F562-S566 WeakPolarHBondContact O-CB 3.31Å; F562-S566 PolarHBondContact O-N 3.01Å; F562-S566 PolarHBondContact O-OG 2.97Å
563L95.3Very high93.8Very high3 Ų315.6 Ų15.62%0.0169%0.093CC..Hα-helixtrans-63.9-44.9161.8-77176.3000111.1T517 L521 V559 S560 S566 T567 L577 L578 F640T517-L563 HydrophobicContact CG2-CD2 4.1Å; T517-L563 HydrophobicContact CG2-CG 4.41Å; L521-L563 HydrophobicContact CD1-CD2 4.27Å; V559-L563 HydrophobicContact CG1-CD1 3.63Å; V559-L563 HydrophobicContact CG1-CG 4.11Å; V559-L563 VanDerWaalsContact O-CB 3.22Å; V559-L563 WeakPolarHBondContact O-CB 3.38Å; V559-L563 WeakPolarHBondContact O-CG 3.48Å; V559-L563 PolarHBondContact O-N 3.09Å; S560-L563 PolarHBondContact O-N 3.04Å; L563-S566 PolarHBondContact O-N 3.36Å; L563-T567 WeakPolarHBondContact O-CB 3.41Å; L563-T567 WeakPolarHBondContact O-CG2 3.37Å; L563-T567 PolarHBondContact O-N 3.1Å; L563-T567 PolarHBondContact O-OG1 3.14Å; L563-L577 HydrophobicContact CD2-CD2 3.79Å; L563-L577 HydrophobicContact CD2-CG 4.32Å; L563-L578 HydrophobicContact CD1-CD2 4.45Å; L563-L578 HydrophobicContact CD2-CD2 4.2Å; L563-F640 HydrophobicContact CB-CE1 4.25Å
564H93.7Very high93.7Very high23 Ų2315.6 Ų15.611%0.1069%0.093CC..Hα-helixtrans-58.2-49.4174.3160.479.2000111.2S560 C561 T567 M568 F640 N709 R743S560-H564 WeakPolarHBondContact O-CB 3.49Å; S560-H564 PolarHBondContact O-N 2.94Å; C561-H564 WeakPolarHBondContact O-CB 3.44Å; C561-H564 PolarHBondContact O-N 3.3Å; H564-T567 PolarHBondContact O-N 2.83Å; H564-T567 PolarHBondContact O-OG1 3.35Å; H564-M568 VanDerWaalsContact O-CB 3.28Å; H564-M568 WeakPolarHBondContact O-CB 3.11Å; H564-M568 WeakPolarHBondContact O-CG 3.24Å; H564-M568 PolarHBondContact O-N 3.45Å; H564-F640 HydrophobicContact CB-CD1 4.08Å; H564-F640 HydrophobicContact CB-CE1 3.61Å; H564-F640 HydrophobicContact CB-CE2 4.14Å; H564-F640 HydrophobicContact CB-CZ 3.64Å; H564-N709 PolarHBondContact ND1-O 2.9Å; H564-R743 PolarHBondContact NE2-NH2 2.98Å
565L92.5Very high93.5Very high0 Ų021.5 Ų21.50%012%0.116CC..Iπ-helixtrans-62.5-47.7179.3-174.164.8000111.9W501 C504 R505 C561 F562 T567 Q569 H570W501-L565 HydrophobicContact CG-CD2 4.42Å; C504-L565 HydrophobicContact CB-CD2 3.66Å; R505-L565 HydrophobicContact CG-CD1 4.5Å; C561-L565 PolarHBondContact O-N 2.82Å; F562-L565 HydrophobicContact CD1-CD2 4.2Å; F562-L565 HydrophobicContact CE1-CD2 4.14Å; L565-T567 VanDerWaalsContact C-N 3.33Å; L565-T567 PolarHBondContact O-N 2.65Å; L565-Q569 HydrophobicContact CD1-CB 3.82Å; L565-Q569 HydrophobicContact CD1-CG 4.18Å; L565-Q569 WeakPolarHBondContact O-CB 3.49Å; L565-Q569 PolarHBondContact O-N 3.28Å; L565-Q569 VanDerWaalsContact O-N 3.07Å; L565-H570 PolarHBondContact O-CD2 3.05Å; L565-H570 PolarHBondContact O-N 3.03Å; L565-H570 VanDerWaalsContact O-N 3.16Å
566S94.7Very high93.2Very high0 Ų026.9 Ų26.90%014%0.141CC..Iπ-helixtrans-60.1-39.8178.2-65.20000112.8C513 T517 F562 L563 H570 G571 V572C513-S566 PolarHBondContact SG-OG 3.43Å; T517-S566 PolarHBondContact OG1-OG 3.43Å; T517-S566 VanDerWaalsContact OG1-OG 3.1Å; F562-S566 WeakPolarHBondContact O-CB 3.31Å; F562-S566 PolarHBondContact O-N 3.01Å; F562-S566 PolarHBondContact O-OG 2.97Å; L563-S566 PolarHBondContact O-N 3.36Å; S566-H570 CarbonylContact O-C 3.49Å; S566-H570 WeakPolarHBondContact O-CB 3.28Å; S566-G571 PolarHBondContact O-N 3.39Å; S566-V572 VanDerWaalsContact O-CB 3.26Å; S566-V572 WeakPolarHBondContact O-CB 3.28Å; S566-V572 WeakPolarHBondContact O-CG2 3.33Å; S566-V572 PolarHBondContact O-N 2.88Å
567T92.3Very high93Very high11 Ų1127.2 Ų27.27%0.06714%0.143CC..Iπ-helixtrans-87.3-45.3-174.3580000113.1L563 H564 L565 V572 I574L563-T567 WeakPolarHBondContact O-CB 3.41Å; L563-T567 WeakPolarHBondContact O-CG2 3.37Å; L563-T567 PolarHBondContact O-N 3.1Å; L563-T567 PolarHBondContact O-OG1 3.14Å; H564-T567 PolarHBondContact O-N 2.83Å; H564-T567 PolarHBondContact O-OG1 3.35Å; L565-T567 VanDerWaalsContact C-N 3.33Å; L565-T567 PolarHBondContact O-N 2.65Å; T567-V572 WeakPolarHBondContact CA-O 3.48Å; T567-V572 WeakPolarHBondContact CG2-O 3.24Å; T567-I574 HydrophobicContact CG2-CB 3.68Å; T567-I574 HydrophobicContact CG2-CD1 4.13Å; T567-I574 HydrophobicContact CG2-CG1 3.91Å
568M89.6Confident92.9Very high60 Ų6027.6 Ų27.630%0.29615%0.145SC..Iπ-helixtrans-85-34.4-174.7-59.9-64.694.200113.4H564 L710 P840 F843H564-M568 VanDerWaalsContact O-CB 3.28Å; H564-M568 WeakPolarHBondContact O-CB 3.11Å; H564-M568 WeakPolarHBondContact O-CG 3.24Å; H564-M568 PolarHBondContact O-N 3.45Å; M568-L710 HydrophobicContact SD-CD2 4.31Å; M568-P840 HydrophobicContact CE-CB 4.07Å; M568-P840 HydrophobicContact CE-CG 4.1Å; M568-P840 HydrophobicContact SD-CB 4.36Å; M568-P840 HydrophobicContact SD-CG 3.77Å; M568-F843 HydrophobicContact CE-CD2 3.91Å; M568-F843 HydrophobicContact CE-CE2 3.56Å
569Q87.6Confident92.6Very high79 Ų7930.4 Ų30.437%0.36916%0.162SC..Iπ-helixtrans-103.9-34.5-175.5-170.3152.3-7.600112.7R505 L565R505-Q569 PolarHBondContact O-NE2 3.39Å; L565-Q569 HydrophobicContact CD1-CB 3.82Å; L565-Q569 HydrophobicContact CD1-CG 4.18Å; L565-Q569 WeakPolarHBondContact O-CB 3.49Å; L565-Q569 PolarHBondContact O-N 3.28Å; L565-Q569 VanDerWaalsContact O-N 3.07Å
570H92.9Very high92.2Very high14 Ų1434.3 Ų34.37%0.06518%0.183CC..SBendtrans-100.1-1.6178.7-66.3-70.6000115.5C504 L506 R510 C513 L565 S566 V572C504-H570 PolarHBondContact O-CE1 3.49Å; C504-H570 PolarHBondContact O-NE2 2.72Å; L506-H570 PolarHBondContact O-CE1 2.78Å; R510-H570 WeakPolarHBondContact CB-ND1 3.2Å; R510-H570 HydrophobicContact CG-CB 3.99Å; R510-H570 PolarHBondContact NE-O 2.94Å; C513-H570 VanDerWaalsContact SG-CD2 3.54Å; L565-H570 PolarHBondContact O-CD2 3.05Å; L565-H570 PolarHBondContact O-N 3.03Å; L565-H570 VanDerWaalsContact O-N 3.16Å; S566-H570 CarbonylContact O-C 3.49Å; S566-H570 WeakPolarHBondContact O-CB 3.28Å; H570-V572 VanDerWaalsContact C-N 3.25Å; H570-V572 HydrophobicContact CB-CG2 4.18Å; H570-V572 PolarHBondContact O-N 2.66Å
571G90.5Very high91.9Very high61 Ų6135.6 Ų35.663%0.62919%0.188SC*.  trans63.225.1176.200000114.9S566S566-G571 PolarHBondContact O-N 3.39Å
572V92.7Very high91.5Very high14 Ų1437.1 Ų37.19%0.08520%0.196CC..  trans-76.8130.4175.7-177.50000109.1L514 S566 T567 H570 I574 L577L514-V572 HydrophobicContact CD1-CG2 4.26Å; L514-V572 HydrophobicContact CD2-CG1 4.17Å; L514-V572 HydrophobicContact CD2-CG2 4Å; L514-V572 HydrophobicContact CG-CG2 4.4Å; S566-V572 VanDerWaalsContact O-CB 3.26Å; S566-V572 WeakPolarHBondContact O-CB 3.28Å; S566-V572 WeakPolarHBondContact O-CG2 3.33Å; S566-V572 PolarHBondContact O-N 2.88Å; T567-V572 WeakPolarHBondContact CA-O 3.48Å; T567-V572 WeakPolarHBondContact CG2-O 3.24Å; H570-V572 VanDerWaalsContact C-N 3.25Å; H570-V572 HydrophobicContact CB-CG2 4.18Å; H570-V572 PolarHBondContact O-N 2.66Å; V572-I574 PolarHBondContact O-N 3.38Å; V572-L577 HydrophobicContact CG1-CB 4.08Å; V572-L577 HydrophobicContact CG1-CD2 4.11Å
573N92.2Very high91Very high57 Ų5741.8 Ų41.831%0.30522%0.22SC..  trans-69.2127.8176.8176.6-95.5000111.2R575 Q576 L577 D842N573-R575 VanDerWaalsContact C-N 3.33Å; N573-R575 PolarHBondContact O-N 2.93Å; N573-R575 WeakPolarHBondContact OD1-CB 3.4Å; N573-R575 PolarHBondContact OD1-N 2.97Å; N573-R575 VanDerWaalsContact OD1-N 3.13Å; N573-Q576 HydrophobicContact CB-CB 4.25Å; N573-Q576 PolarHBondContact O-N 3.37Å; N573-Q576 PolarHBondContact OD1-N 2.86Å; N573-L577 PolarHBondContact O-N 2.85Å; N573-D842 VanDerWaalsContact CA-OD2 3.29Å; N573-D842 WeakPolarHBondContact CA-OD2 3.31Å; N573-D842 PolarHBondContact ND2-OD1 2.76Å; N573-D842 PolarHBondContact ND2-OD2 3.35Å
574I92.2Very high90.6Very high1 Ų146 Ų461%0.00525%0.248CC..Hα-helixtrans-68.1-30.7-172.4-162.3168.3000113.3T567 V572 L578 V644 L648 D842 F843T567-I574 HydrophobicContact CG2-CB 3.68Å; T567-I574 HydrophobicContact CG2-CD1 4.13Å; T567-I574 HydrophobicContact CG2-CG1 3.91Å; V572-I574 PolarHBondContact O-N 3.38Å; I574-L578 HydrophobicContact CG1-CD1 3.96Å; I574-L578 HydrophobicContact CG1-CG 4.5Å; I574-L578 WeakPolarHBondContact O-CB 3.33Å; I574-L578 WeakPolarHBondContact O-CG 3.41Å; I574-L578 PolarHBondContact O-N 3.48Å; I574-V644 HydrophobicContact CD1-CB 4.25Å; I574-V644 HydrophobicContact CD1-CG1 3.65Å; I574-V644 HydrophobicContact CD1-CG2 3.64Å; I574-L648 HydrophobicContact CG2-CD2 4.28Å; I574-D842 HydrophobicContact CG2-CB 4.03Å; I574-D842 PolarHBondContact N-OD2 2.92Å; I574-F843 HydrophobicContact CD1-CE1 4.37Å; I574-F843 HydrophobicContact CD1-CE2 4.33Å; I574-F843 HydrophobicContact CD1-CZ 3.69Å
575R90.3Very high90Very high125 Ų12546.6 Ų46.647%0.47225%0.25SC..Hα-helixtrans-71.7-42.8178.5-62.7-177.5-174.8-93.5-7.5110.7N573 L577 L578 V579 A647 L648N573-R575 VanDerWaalsContact C-N 3.33Å; N573-R575 PolarHBondContact O-N 2.93Å; N573-R575 WeakPolarHBondContact OD1-CB 3.4Å; N573-R575 PolarHBondContact OD1-N 2.97Å; N573-R575 VanDerWaalsContact OD1-N 3.13Å; R575-L577 VanDerWaalsContact C-N 3.34Å; R575-L578 PolarHBondContact O-N 3.28Å; R575-V579 PolarHBondContact O-N 2.79Å; R575-V579 VanDerWaalsContact O-N 3.1Å; R575-A647 PolarHBondContact NH2-O 3.5Å; R575-L648 HydrophobicContact CG-CD2 3.63Å
576Q89.2Confident89.4Confident112 Ų11250.5 Ų50.552%0.52328%0.275SS..Hα-helixtrans-63.8-37.7174.3-171179.87.100112.2N573 L578 V579 F907N573-Q576 HydrophobicContact CB-CB 4.25Å; N573-Q576 PolarHBondContact O-N 3.37Å; N573-Q576 PolarHBondContact OD1-N 2.86Å; Q576-L578 VanDerWaalsContact C-N 3.34Å; Q576-L578 PolarHBondContact O-N 3.43Å; Q576-V579 WeakPolarHBondContact O-CG1 3.48Å; Q576-F907 HydrophobicContact CG-CE2 4.47Å
577L92.2Very high88.7Confident8 Ų856.8 Ų56.84%0.04230%0.299CS..Hα-helixtrans-71.3-27.1179.1-17655.5000113.6L514 T517 L521 L563 V572 N573 R575L514-L577 HydrophobicContact CD2-CD1 3.76Å; L514-L577 HydrophobicContact CD2-CD2 4.29Å; T517-L577 HydrophobicContact CG2-CD2 4.09Å; L521-L577 HydrophobicContact CD1-CG 4.35Å; L563-L577 HydrophobicContact CD2-CD2 3.79Å; L563-L577 HydrophobicContact CD2-CG 4.32Å; V572-L577 HydrophobicContact CG1-CB 4.08Å; V572-L577 HydrophobicContact CG1-CD2 4.11Å; N573-L577 PolarHBondContact O-N 2.85Å; R575-L577 VanDerWaalsContact C-N 3.34Å
578L92.2Very high88.4Confident10 Ų1057.2 Ų57.25%0.05230%0.301CS..Hα-helixtrans-95.7-14.7-179-68.6173.8000114.3L521 L563 I574 R575 Q576 D580 Y581 L582 V644 L648L521-L578 HydrophobicContact CD1-CD2 4.03Å; L521-L578 HydrophobicContact CD2-CD2 3.58Å; L521-L578 HydrophobicContact CG-CD2 4.49Å; L563-L578 HydrophobicContact CD1-CD2 4.45Å; L563-L578 HydrophobicContact CD2-CD2 4.2Å; I574-L578 HydrophobicContact CG1-CD1 3.96Å; I574-L578 HydrophobicContact CG1-CG 4.5Å; I574-L578 WeakPolarHBondContact O-CB 3.33Å; I574-L578 WeakPolarHBondContact O-CG 3.41Å; I574-L578 PolarHBondContact O-N 3.48Å; R575-L578 PolarHBondContact O-N 3.28Å; Q576-L578 VanDerWaalsContact C-N 3.34Å; Q576-L578 PolarHBondContact O-N 3.43Å; L578-D580 VanDerWaalsContact C-N 3.32Å; L578-D580 PolarHBondContact O-N 2.91Å; L578-Y581 PolarHBondContact O-N 3Å; L578-L582 HydrophobicContact CB-CD1 3.8Å; L578-L582 HydrophobicContact CB-CG 4.18Å; L578-L582 WeakPolarHBondContact O-CG 3.36Å; L578-L582 PolarHBondContact O-N 3.37Å; L578-V644 HydrophobicContact CD1-CG1 4.33Å; L578-L648 HydrophobicContact CD1-CD1 3.53Å
579V90.7Very high88.3Confident59 Ų5954.9 Ų54.936%0.35829%0.29SS..Hα-helixtrans-58.5-42.3-173.375.90000112.6R575 Q576 Y581 L582 L583R575-V579 PolarHBondContact O-N 2.79Å; R575-V579 VanDerWaalsContact O-N 3.1Å; Q576-V579 WeakPolarHBondContact O-CG1 3.48Å; V579-Y581 PolarHBondContact O-N 2.98Å; V579-Y581 VanDerWaalsContact O-N 3.07Å; V579-L582 PolarHBondContact O-N 3.03Å; V579-L583 VanDerWaalsContact O-CB 3.29Å; V579-L583 WeakPolarHBondContact O-CB 3.48Å; V579-L583 PolarHBondContact O-N 3.26Å
580D88.1Confident88.2Confident83 Ų8356.1 Ų56.144%0.44429%0.291SS..Hα-helixtrans-54.1-29177.4-58.8-9.7000112.7K518 L578 P584K518-D580 IonicContact NZ-OD2 3.29Å; K518-D580 PolarHBondContact NZ-OD2 3.33Å; L578-D580 VanDerWaalsContact C-N 3.32Å; L578-D580 PolarHBondContact O-N 2.91Å; D580-P584 VanDerWaalsContact O-CD 3.22Å; D580-P584 WeakPolarHBondContact O-CD 3.22Å; D580-P584 WeakPolarHBondContact O-CG 3.21Å
581Y90.8Very high87.8Confident28 Ų2858.4 Ų58.411%0.1130%0.299CS..Hα-helixtrans-103.3-28.4-175.8-54.6-79.6000113.3K518 L521 A525 L578 V579K518-Y581 VanDerWaalsContact CA-OH 3.26Å; K518-Y581 WeakPolarHBondContact CA-OH 3.38Å; K518-Y581 VanDerWaalsContact CB-OH 3.23Å; K518-Y581 WeakPolarHBondContact CB-OH 3.29Å; K518-Y581 WeakPolarHBondContact CG-OH 3.3Å; K518-Y581 PolarHBondContact O-OH 3.41Å; L521-Y581 HydrophobicContact CB-CD1 4.15Å; L521-Y581 HydrophobicContact CB-CD2 3.97Å; L521-Y581 HydrophobicContact CB-CE1 3.89Å; L521-Y581 HydrophobicContact CB-CE2 3.69Å; L521-Y581 HydrophobicContact CB-CG 4.19Å; L521-Y581 HydrophobicContact CD1-CD2 3.96Å; L521-Y581 HydrophobicContact CD1-CE2 3.67Å; L521-Y581 HydrophobicContact CG-CD2 4.47Å; L521-Y581 HydrophobicContact CG-CE2 4.31Å; A525-Y581 HydrophobicContact CB-CD1 4.23Å; L578-Y581 PolarHBondContact O-N 3Å; V579-Y581 PolarHBondContact O-N 2.98Å; V579-Y581 VanDerWaalsContact O-N 3.07Å
582L86.4Confident87.8Confident31 Ų3156 Ų5616%0.16227%0.271CS..Hα-helixtrans-82.6-35.3179.1-65.1177000112.3L578 V579 K585 P586 L588 L589L578-L582 HydrophobicContact CB-CD1 3.8Å; L578-L582 HydrophobicContact CB-CG 4.18Å; L578-L582 WeakPolarHBondContact O-CG 3.36Å; L578-L582 PolarHBondContact O-N 3.37Å; V579-L582 PolarHBondContact O-N 3.03Å; L582-K585 CarbonylContact O-C 3.6Å; L582-K585 PolarHBondContact O-N 3.33Å; L582-P586 WeakPolarHBondContact O-CA 3.15Å; L582-P586 VanDerWaalsContact O-N 3.14Å; L582-L588 HydrophobicContact CD2-CB 4.26Å; L582-L588 HydrophobicContact CD2-CD2 4.35Å; L582-L588 HydrophobicContact CD2-CG 4.49Å; L582-L589 HydrophobicContact CD2-CB 3.84Å
583L85.6Confident87.7Confident98 Ų9855.5 Ų55.551%0.51327%0.268SS..SBendtrans-60.1-47.1179.4171.465.7000112.5V579 K585 F974V579-L583 VanDerWaalsContact O-CB 3.29Å; V579-L583 WeakPolarHBondContact O-CB 3.48Å; V579-L583 PolarHBondContact O-N 3.26Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 2.94Å; L583-F974 HydrophobicContact CD1-CD2 4.29Å; L583-F974 HydrophobicContact CD1-CE1 4.3Å; L583-F974 HydrophobicContact CD1-CE2 3.38Å; L583-F974 HydrophobicContact CD1-CZ 3.4Å
584P85.9Confident87.3Confident92 Ų9255 Ų5560%0.59726%0.264SS*.SBendtrans-76.8-18.2177.2-14.831.8000113.7D580D580-P584 VanDerWaalsContact O-CD 3.22Å; D580-P584 WeakPolarHBondContact O-CD 3.22Å; D580-P584 WeakPolarHBondContact O-CG 3.21Å
585K82.5Confident87Confident35 Ų3556.2 Ų56.215%0.15227%0.269CS..  trans-140.467.3-169.5-65.1165.1179.5175.70110.8A525 D526 N529 L582 L583 R587 L588A525-K585 HydrophobicContact CB-CD 4.02Å; A525-K585 WeakPolarHBondContact O-CD 3.38Å; A525-K585 PolarHBondContact O-NZ 2.99Å; D526-K585 IonicContact OD1-NZ 2.73Å; D526-K585 PolarHBondContact OD1-NZ 3.27Å; N529-K585 HydrophobicContact CB-CD 4.06Å; L582-K585 CarbonylContact O-C 3.6Å; L582-K585 PolarHBondContact O-N 3.33Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 2.94Å; K585-R587 PolarHBondContact O-N 2.95Å; K585-L588 HydrophobicContact CB-CB 4.11Å; K585-L588 WeakPolarHBondContact O-CB 3.44Å; K585-L588 PolarHBondContact O-N 2.77Å
586P78.3Confident87.1Confident83 Ų8350.5 Ų50.554%0.53925%0.248SC..THydrogen-bonded Turntrans-61.3-23.5-172.122.1-34000114.3L582 L588L582-P586 WeakPolarHBondContact O-CA 3.15Å; L582-P586 VanDerWaalsContact O-N 3.14Å; P586-L588 VanDerWaalsContact C-N 3.31Å; P586-L588 PolarHBondContact O-N 2.61Å
587R80.6Confident87.1Confident132 Ų13245.1 Ų45.150%0.49822%0.223SC..THydrogen-bonded Turntrans-78.7-7.1175.4-65.4176.6175.5171.3-4.2113.8K585 R590 R591K585-R587 PolarHBondContact O-N 2.95Å; R587-R590 PolarHBondContact O-N 3.41Å; R587-R591 PolarHBondContact O-N 3.33Å
588L85.9Confident86.8Confident19 Ų1945.1 Ų45.110%0.09922%0.223CC..Hα-helixtrans-56.8-54.3-173.9174.957.9000113.2A525 L528 L582 K585 P586 R590 R591 F592A525-L588 HydrophobicContact CB-CD1 4.35Å; A525-L588 HydrophobicContact CB-CD2 3.69Å; L528-L588 HydrophobicContact CB-CD1 3.63Å; L528-L588 HydrophobicContact CD1-CD1 3.7Å; L528-L588 HydrophobicContact CG-CD1 4.25Å; L582-L588 HydrophobicContact CD2-CB 4.26Å; L582-L588 HydrophobicContact CD2-CD2 4.35Å; L582-L588 HydrophobicContact CD2-CG 4.49Å; K585-L588 HydrophobicContact CB-CB 4.11Å; K585-L588 WeakPolarHBondContact O-CB 3.44Å; K585-L588 PolarHBondContact O-N 2.77Å; P586-L588 VanDerWaalsContact C-N 3.31Å; P586-L588 PolarHBondContact O-N 2.61Å; L588-R590 VanDerWaalsContact C-N 3.28Å; L588-R590 PolarHBondContact O-N 2.83Å; L588-R591 PolarHBondContact O-N 3.38Å; L588-F592 PolarHBondContact O-N 2.84Å
589L87.9Confident86.7Confident12 Ų1244.8 Ų44.86%0.06322%0.221CC..Hα-helixtrans-66.3-32.3-176.2-168.265.6000112.3L582 F592 M593 C645 L648 L649L582-L589 HydrophobicContact CD2-CB 3.84Å; L589-F592 HydrophobicContact CD1-CD1 4.48Å; L589-M593 WeakPolarHBondContact O-CB 3.23Å; L589-M593 PolarHBondContact O-N 2.67Å; L589-C645 HydrophobicContact CD1-CB 4.35Å; L589-C645 VanDerWaalsContact CD1-SG 3.53Å; L589-C645 HydrophobicContact CG-CB 4.48Å; L589-L648 HydrophobicContact CD2-CB 3.58Å; L589-L648 HydrophobicContact CD2-CD1 4.12Å; L589-L649 HydrophobicContact CB-CD2 4.37Å; L589-L649 HydrophobicContact CD2-CD1 4.43Å; L589-L649 HydrophobicContact CD2-CD2 3.91Å; L589-L649 HydrophobicContact CD2-CG 3.75Å; L589-L649 HydrophobicContact CG-CD1 4.24Å; L589-L649 HydrophobicContact CG-CD2 4.28Å; L589-L649 HydrophobicContact CG-CG 4.09Å
590R85.1Confident86.6Confident105 Ų10542.2 Ų42.240%0.39621%0.205SC..Hα-helixtrans-65-48.1172.5177.4178.2166.7156.58.4111R587 L588 F592 M593 E594R587-R590 PolarHBondContact O-N 3.41Å; L588-R590 VanDerWaalsContact C-N 3.28Å; L588-R590 PolarHBondContact O-N 2.83Å; R590-F592 VanDerWaalsContact C-N 3.33Å; R590-F592 PolarHBondContact O-N 3Å; R590-M593 WeakPolarHBondContact O-CB 3.44Å; R590-M593 PolarHBondContact O-N 2.66Å; R590-E594 HydrophobicContact CG-CG 4.42Å; R590-E594 IonicContact CZ-OE1 3.66Å; R590-E594 VanDerWaalsContact CZ-OE1 3.32Å; R590-E594 IonicContact NE-OE1 3.14Å; R590-E594 PolarHBondContact NE-OE1 3.17Å; R590-E594 IonicContact NH2-OE1 2.72Å; R590-E594 PolarHBondContact NH2-OE1 3.16Å; R590-E594 WeakPolarHBondContact O-CB 3.48Å; R590-E594 WeakPolarHBondContact O-CG 3.38Å; R590-E594 PolarHBondContact O-N 2.81Å
591R84.5Confident86.5Confident62 Ų6238.2 Ų38.223%0.23418%0.184CC..Hα-helixtrans-61.6-40.4176-71.8-176.7177.6176-1.9111.7L528 N529 L531 R587 L588 E594 H595L528-R591 HydrophobicContact CB-CB 4.49Å; L528-R591 WeakPolarHBondContact O-CD 3.22Å; L528-R591 PolarHBondContact O-NH1 2.92Å; N529-R591 PolarHBondContact O-NH1 3.44Å; L531-R591 PolarHBondContact O-NH1 2.94Å; R587-R591 PolarHBondContact O-N 3.33Å; L588-R591 PolarHBondContact O-N 3.38Å; R591-E594 PolarHBondContact O-N 2.87Å; R591-H595 PolarHBondContact O-CD2 2.98Å; R591-H595 PolarHBondContact O-N 3.18Å
592F90.2Very high86.3Confident11 Ų1136.9 Ų36.95%0.04818%0.179CC..Hα-helixtrans-56.5-53.2173.8-165.8172.7000110.8L524 L528 M556 V559 L588 L589 R590 E594 H595 L596 A641L524-F592 HydrophobicContact CD2-CD1 4.05Å; L524-F592 HydrophobicContact CD2-CE1 3.76Å; L524-F592 HydrophobicContact CD2-CZ 4.01Å; L528-F592 HydrophobicContact CD1-CB 3.83Å; L528-F592 HydrophobicContact CD1-CG 4.3Å; M556-F592 HydrophobicContact CB-CE2 3.78Å; M556-F592 HydrophobicContact CB-CZ 4.21Å; M556-F592 HydrophobicContact CE-CD2 3.36Å; M556-F592 HydrophobicContact CE-CE2 3.82Å; M556-F592 HydrophobicContact CE-CG 4.27Å; M556-F592 HydrophobicContact CG-CD2 4.25Å; M556-F592 HydrophobicContact CG-CE2 3.78Å; M556-F592 HydrophobicContact CG-CZ 4.37Å; V559-F592 HydrophobicContact CG1-CE1 4.13Å; V559-F592 HydrophobicContact CG1-CZ 4.34Å; L588-F592 PolarHBondContact O-N 2.84Å; L589-F592 HydrophobicContact CD1-CD1 4.48Å; R590-F592 VanDerWaalsContact C-N 3.33Å; R590-F592 PolarHBondContact O-N 3Å; F592-E594 PolarHBondContact O-N 3.35Å; F592-H595 PolarHBondContact O-N 2.94Å; F592-L596 HydrophobicContact CD2-CD1 3.63Å; F592-L596 HydrophobicContact CD2-CG 3.99Å; F592-L596 HydrophobicContact CE2-CD1 3.67Å; F592-L596 HydrophobicContact CE2-CD2 4.22Å; F592-L596 HydrophobicContact CE2-CG 4.08Å; F592-L596 WeakPolarHBondContact O-CG 3.46Å; F592-L596 PolarHBondContact O-N 2.79Å; F592-A641 HydrophobicContact CE2-CB 3.91Å; F592-A641 HydrophobicContact CZ-CB 3.78Å
593M90.2Very high86.5Confident2 Ų235.5 Ų35.51%0.0117%0.172CC..Hα-helixtrans-57.4-44.1175.9-171.1-174.866.600112.7L589 R590 H595 L596 V597 L642 C645 L649 Y653 F654 A657L589-M593 WeakPolarHBondContact O-CB 3.23Å; L589-M593 PolarHBondContact O-N 2.67Å; R590-M593 WeakPolarHBondContact O-CB 3.44Å; R590-M593 PolarHBondContact O-N 2.66Å; M593-H595 VanDerWaalsContact C-N 3.28Å; M593-H595 PolarHBondContact O-N 2.83Å; M593-L596 PolarHBondContact O-N 3.4Å; M593-V597 HydrophobicContact CG-CG2 4.08Å; M593-V597 WeakPolarHBondContact O-CB 3.41Å; M593-V597 VanDerWaalsContact O-CG2 3.31Å; M593-V597 WeakPolarHBondContact O-CG2 3.32Å; M593-V597 PolarHBondContact O-N 3.25Å; M593-L642 HydrophobicContact CG-CD1 3.7Å; M593-C645 HydrophobicContact CB-CB 3.9Å; M593-C645 HydrophobicContact CG-CB 4.07Å; M593-C645 HydrophobicContact SD-CB 4.48Å; M593-L649 HydrophobicContact CB-CD1 4.36Å; M593-L649 HydrophobicContact CE-CD1 4Å; M593-L649 HydrophobicContact SD-CD1 3.66Å; M593-Y653 WeakPolarHBondContact CE-O 3.39Å; M593-F654 HydrophobicContact SD-CB 3.99Å; M593-F654 HydrophobicContact SD-CD2 4.31Å; M593-A657 HydrophobicContact CE-CB 3.74Å
594E84.8Confident86.6Confident48 Ų4831.7 Ų31.722%0.22415%0.151CC..Hα-helixtrans-60.8-31-178.9-77.7172.2174.900113R590 R591 F592 Q661R590-E594 HydrophobicContact CG-CG 4.42Å; R590-E594 IonicContact CZ-OE1 3.66Å; R590-E594 VanDerWaalsContact CZ-OE1 3.32Å; R590-E594 IonicContact NE-OE1 3.14Å; R590-E594 PolarHBondContact NE-OE1 3.17Å; R590-E594 IonicContact NH2-OE1 2.72Å; R590-E594 PolarHBondContact NH2-OE1 3.16Å; R590-E594 WeakPolarHBondContact O-CB 3.48Å; R590-E594 WeakPolarHBondContact O-CG 3.38Å; R590-E594 PolarHBondContact O-N 2.81Å; R591-E594 PolarHBondContact O-N 2.87Å; F592-E594 PolarHBondContact O-N 3.35Å; E594-Q661 PolarHBondContact O-NE2 3.41Å; E594-Q661 PolarHBondContact O-OE1 2.94Å
595H86.1Confident86.5Confident26 Ų2627.3 Ų27.312%0.1212%0.123CC..Hα-helixtrans-78.5-41.7173.8-65.1-67.1000113F463 L528 M556 R591 F592 M593 V597 N598 I599F463-H595 AromaticContact CE1-ND1 3.68Å; F463-H595 AromaticContact CZ-CE1 3.83Å; F463-H595 AromaticContact CZ-ND1 3.82Å; L528-H595 VanDerWaalsContact CD2-CD2 3.48Å; L528-H595 WeakPolarHBondContact CD2-CD2 3.42Å; M556-H595 HydrophobicContact CE-CB 3.72Å; R591-H595 PolarHBondContact O-CD2 2.98Å; R591-H595 PolarHBondContact O-N 3.18Å; F592-H595 PolarHBondContact O-N 2.94Å; M593-H595 VanDerWaalsContact C-N 3.28Å; M593-H595 PolarHBondContact O-N 2.83Å; H595-V597 PolarHBondContact O-N 2.99Å; H595-N598 PolarHBondContact O-N 3.08Å; H595-I599 PolarHBondContact O-N 3.02Å
596L91.8Very high86.7Confident4 Ų426 Ų262%0.02112%0.117CC..Hα-helixtrans-63-41.6179.4-66.3169000111.9L553 F592 M593 I599 L600 D638 A641 L642L553-L596 HydrophobicContact CD1-CD2 4.18Å; F592-L596 HydrophobicContact CD2-CD1 3.63Å; F592-L596 HydrophobicContact CD2-CG 3.99Å; F592-L596 HydrophobicContact CE2-CD1 3.67Å; F592-L596 HydrophobicContact CE2-CD2 4.22Å; F592-L596 HydrophobicContact CE2-CG 4.08Å; F592-L596 WeakPolarHBondContact O-CG 3.46Å; F592-L596 PolarHBondContact O-N 2.79Å; M593-L596 PolarHBondContact O-N 3.4Å; L596-I599 PolarHBondContact O-N 3.32Å; L596-L600 PolarHBondContact O-N 3.5Å; L596-L600 VanDerWaalsContact O-N 3.11Å; L596-D638 HydrophobicContact CD2-CB 3.99Å; L596-A641 HydrophobicContact CD1-CB 3.59Å; L596-A641 HydrophobicContact CD2-CB 4.21Å; L596-L642 HydrophobicContact CB-CB 4.49Å; L596-L642 HydrophobicContact CB-CD1 4.49Å; L596-L642 HydrophobicContact CD1-CB 4.18Å
597V88.7Confident87Confident0 Ų025 Ų250%011%0.108CC..Hα-helixtrans-65-42.1178.7171.70000111.1M593 H595 I599 L600 L601 L642 A657 L658M593-V597 HydrophobicContact CG-CG2 4.08Å; M593-V597 WeakPolarHBondContact O-CB 3.41Å; M593-V597 VanDerWaalsContact O-CG2 3.31Å; M593-V597 WeakPolarHBondContact O-CG2 3.32Å; M593-V597 PolarHBondContact O-N 3.25Å; H595-V597 PolarHBondContact O-N 2.99Å; V597-I599 VanDerWaalsContact C-N 3.26Å; V597-I599 PolarHBondContact O-N 2.86Å; V597-L600 PolarHBondContact O-N 2.93Å; V597-L601 HydrophobicContact CG1-CD1 3.47Å; V597-L601 VanDerWaalsContact CG1-CD1 3.47Å; V597-L601 HydrophobicContact CG1-CG 4.02Å; V597-L601 WeakPolarHBondContact O-CB 3.22Å; V597-L601 WeakPolarHBondContact O-CG 3.38Å; V597-L601 PolarHBondContact O-N 2.9Å; V597-L642 HydrophobicContact CG2-CD1 3.74Å; V597-L642 HydrophobicContact CG2-CD2 4.19Å; V597-A657 HydrophobicContact CG1-CB 4.44Å; V597-A657 WeakPolarHBondContact CG1-O 3.3Å; V597-A657 HydrophobicContact CG2-CB 4.47Å; V597-L658 HydrophobicContact CG1-CD2 4.03Å; V597-L658 HydrophobicContact CG1-CG 4.45Å
598N86.4Confident87.1Confident8 Ų820 Ų204%0.0439%0.09CC..Hα-helixtrans-58.2-37.3177.2-179.931000112.3R546 S547 A548 H595 G602R546-N598 PolarHBondContact NE-OD1 3.37Å; R546-N598 PolarHBondContact NH2-O 2.82Å; R546-N598 PolarHBondContact NH2-OD1 3.29Å; S547-N598 PolarHBondContact OG-ND2 3.41Å; A548-N598 PolarHBondContact O-ND2 3.17Å; H595-N598 PolarHBondContact O-N 3.08Å; N598-G602 WeakPolarHBondContact O-CA 3.4Å; N598-G602 PolarHBondContact O-N 2.75Å
599I90.1Very high86.8Confident3 Ų319.6 Ų19.62%0.0159%0.091CC..Hα-helixtrans-67.8-55.8174.6-68.6-175.7000111.3L549 S550 L551 L553 H595 L596 V597 L601 G602 C603 Y625L549-I599 HydrophobicContact CD1-CG1 4.24Å; S550-I599 WeakPolarHBondContact O-CD1 3.2Å; S550-I599 VanDerWaalsContact O-CG1 3.29Å; S550-I599 WeakPolarHBondContact O-CG1 3.27Å; L551-I599 HydrophobicContact CD2-CG2 3.97Å; L553-I599 HydrophobicContact CD1-CD1 3.33Å; L553-I599 HydrophobicContact CD1-CG1 4.49Å; L553-I599 HydrophobicContact CD2-CD1 4.32Å; L553-I599 HydrophobicContact CG-CD1 3.59Å; H595-I599 PolarHBondContact O-N 3.02Å; L596-I599 PolarHBondContact O-N 3.32Å; V597-I599 VanDerWaalsContact C-N 3.26Å; V597-I599 PolarHBondContact O-N 2.86Å; I599-L601 VanDerWaalsContact C-N 3.26Å; I599-L601 PolarHBondContact O-N 2.78Å; I599-G602 WeakPolarHBondContact O-CA 3.12Å; I599-G602 PolarHBondContact O-N 3.39Å; I599-C603 PolarHBondContact O-N 3.02Å; I599-C603 PolarHBondContact O-SG 2.9Å; I599-Y625 HydrophobicContact CG2-CE1 3.83Å; I599-Y625 HydrophobicContact CG2-CE2 4.29Å; I599-Y625 WeakPolarHBondContact CG2-OH 3.22Å
600L89.3Confident86.5Confident4 Ų422.2 Ų22.22%0.02110%0.1CC..Hα-helixtrans-61.3-38.3-171.8-149.879.4000111.8L596 V597 H604 I635 I639 L642 N699 V703L596-L600 PolarHBondContact O-N 3.5Å; L596-L600 VanDerWaalsContact O-N 3.11Å; V597-L600 PolarHBondContact O-N 2.93Å; L600-H604 PolarHBondContact O-ND1 3.12Å; L600-I635 HydrophobicContact CD1-CD1 4.2Å; L600-I635 HydrophobicContact CD1-CG1 4.2Å; L600-I639 HydrophobicContact CD1-CD1 4.37Å; L600-I639 HydrophobicContact CD1-CG1 3.94Å; L600-L642 HydrophobicContact CD2-CD2 4.08Å; L600-N699 HydrophobicContact CD2-CB 4.04Å; L600-N699 VanDerWaalsContact CD2-OD1 3.28Å; L600-N699 WeakPolarHBondContact CD2-OD1 3.19Å; L600-N699 VanDerWaalsContact CG-OD1 3.24Å; L600-N699 WeakPolarHBondContact CG-OD1 3.43Å; L600-N699 PolarHBondContact O-OD1 2.79Å; L600-V703 HydrophobicContact CD2-CG2 4.47Å
601L86.4Confident86.6Confident0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-68.1-46170.6-63174.8000112V597 I599 C603 H604 E605 L658 Q661 T662 L664V597-L601 HydrophobicContact CG1-CD1 3.47Å; V597-L601 VanDerWaalsContact CG1-CD1 3.47Å; V597-L601 HydrophobicContact CG1-CG 4.02Å; V597-L601 WeakPolarHBondContact O-CB 3.22Å; V597-L601 WeakPolarHBondContact O-CG 3.38Å; V597-L601 PolarHBondContact O-N 2.9Å; I599-L601 VanDerWaalsContact C-N 3.26Å; I599-L601 PolarHBondContact O-N 2.78Å; L601-C603 PolarHBondContact O-N 2.57Å; L601-H604 CarbonylContact O-C 3.55Å; L601-H604 WeakPolarHBondContact O-CA 3.31Å; L601-H604 WeakPolarHBondContact O-CB 3.36Å; L601-H604 PolarHBondContact O-N 3.34Å; L601-E605 VanDerWaalsContact C-OE2 3.24Å; L601-E605 WeakPolarHBondContact O-CG 3.4Å; L601-E605 PolarHBondContact O-N 3.1Å; L601-L658 HydrophobicContact CD2-CD2 3.89Å; L601-L658 HydrophobicContact CG-CD2 4.35Å; L601-Q661 HydrophobicContact CD1-CB 3.91Å; L601-T662 HydrophobicContact CD1-CG2 3.5Å; L601-T662 VanDerWaalsContact CD1-CG2 3.5Å; L601-T662 HydrophobicContact CD2-CG2 3.68Å; L601-T662 HydrophobicContact CG-CG2 4.11Å; L601-L664 HydrophobicContact CD2-CD1 4.48Å
602G86.5Confident86.5Confident0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-58.4-42.9-178.900000113.5N598 I599 H604 E605 V606N598-G602 WeakPolarHBondContact O-CA 3.4Å; N598-G602 PolarHBondContact O-N 2.75Å; I599-G602 WeakPolarHBondContact O-CA 3.12Å; I599-G602 PolarHBondContact O-N 3.39Å; G602-H604 VanDerWaalsContact C-N 3.31Å; G602-H604 PolarHBondContact O-N 2.85Å; G602-E605 WeakPolarHBondContact CA-OE2 3.42Å; G602-E605 PolarHBondContact N-OE2 2.85Å; G602-E605 PolarHBondContact O-N 3.37Å; G602-V606 VanDerWaalsContact O-CG2 3.29Å; G602-V606 WeakPolarHBondContact O-CG2 3.48Å; G602-V606 PolarHBondContact O-N 3.18Å
603C89.8Confident86.1Confident2 Ų224.1 Ų24.11%0.01411%0.113CC..Hα-helixtrans-57-45173.2-65.30000111.7I599 L601 V606 L607 V622 Y625 M626I599-C603 PolarHBondContact O-N 3.02Å; I599-C603 PolarHBondContact O-SG 2.9Å; L601-C603 PolarHBondContact O-N 2.57Å; C603-V606 PolarHBondContact O-N 3.02Å; C603-L607 VanDerWaalsContact O-CG 3.3Å; C603-L607 WeakPolarHBondContact O-CG 3.07Å; C603-L607 PolarHBondContact O-N 3.48Å; C603-V622 HydrophobicContact CB-CG1 3.76Å; C603-V622 HydrophobicContact CB-CG2 4.38Å; C603-Y625 WeakPolarHBondContact SG-CD1 3.48Å; C603-Y625 WeakPolarHBondContact SG-CE1 3.41Å; C603-M626 HydrophobicContact CB-SD 4.24Å
604H86.8Confident86Confident17 Ų1724.3 Ų24.38%0.07911%0.114CC..Hα-helixtrans-67.6-41.3176.3-75.688.2000112.6L600 L601 G602 V606 L607 I608 A695 N699 F702L600-H604 PolarHBondContact O-ND1 3.12Å; L601-H604 CarbonylContact O-C 3.55Å; L601-H604 WeakPolarHBondContact O-CA 3.31Å; L601-H604 WeakPolarHBondContact O-CB 3.36Å; L601-H604 PolarHBondContact O-N 3.34Å; G602-H604 VanDerWaalsContact C-N 3.31Å; G602-H604 PolarHBondContact O-N 2.85Å; H604-V606 VanDerWaalsContact C-N 3.26Å; H604-V606 PolarHBondContact O-N 3.25Å; H604-L607 PolarHBondContact O-N 3.18Å; H604-L607 VanDerWaalsContact O-N 3.14Å; H604-I608 WeakPolarHBondContact O-CB 3.36Å; H604-I608 WeakPolarHBondContact O-CD1 3.41Å; H604-I608 WeakPolarHBondContact O-CG1 3.37Å; H604-I608 PolarHBondContact O-N 3.26Å; H604-A695 HydrophobicContact CB-CB 3.94Å; H604-N699 PolarHBondContact CE1-OD1 3Å; H604-N699 PolarHBondContact ND1-ND2 2.87Å; H604-N699 VanDerWaalsContact ND1-ND2 3.19Å; H604-N699 PolarHBondContact ND1-OD1 3.23Å; H604-F702 AromaticContact CE1-CE2 3.84Å
605E84.7Confident85.9Confident0 Ų022.4 Ų22.40%011%0.107CC..Hα-helixtrans-62.7-33.2176-72.7161.8116.300112.3R546 L601 G602 G609 Y610 K663 L664R546-E605 IonicContact CZ-OE2 3.43Å; R546-E605 IonicContact NH1-OE1 2.71Å; R546-E605 PolarHBondContact NH1-OE1 2.94Å; R546-E605 IonicContact NH1-OE2 2.71Å; R546-E605 PolarHBondContact NH1-OE2 2.74Å; R546-E605 IonicContact NH2-OE2 2.75Å; R546-E605 PolarHBondContact NH2-OE2 2.76Å; L601-E605 VanDerWaalsContact C-OE2 3.24Å; L601-E605 WeakPolarHBondContact O-CG 3.4Å; L601-E605 PolarHBondContact O-N 3.1Å; G602-E605 WeakPolarHBondContact CA-OE2 3.42Å; G602-E605 PolarHBondContact N-OE2 2.85Å; G602-E605 PolarHBondContact O-N 3.37Å; E605-G609 PolarHBondContact O-N 2.89Å; E605-G609 VanDerWaalsContact O-N 3.16Å; E605-Y610 HydrophobicContact CB-CD2 4.37Å; E605-Y610 HydrophobicContact CG-CD2 4.43Å; E605-Y610 WeakPolarHBondContact O-CB 3.33Å; E605-Y610 PolarHBondContact O-N 3.41Å; E605-K663 WeakPolarHBondContact OE1-CB 3.42Å; E605-K663 PolarHBondContact OE1-N 2.57Å; E605-L664 HydrophobicContact CG-CD1 4.09Å; E605-L664 HydrophobicContact CG-CD2 3.4Å; E605-L664 HydrophobicContact CG-CG 3.54Å
606V86.9Confident85.8Confident7 Ų725.3 Ų25.34%0.04212%0.121CC..Hα-helixtrans-68.4-46.3170.7171.60000111L549 G602 C603 H604 I608 G609 W611 V618 R619 V622L549-V606 HydrophobicContact CD2-CG2 4.5Å; G602-V606 VanDerWaalsContact O-CG2 3.29Å; G602-V606 WeakPolarHBondContact O-CG2 3.48Å; G602-V606 PolarHBondContact O-N 3.18Å; C603-V606 PolarHBondContact O-N 3.02Å; H604-V606 VanDerWaalsContact C-N 3.26Å; H604-V606 PolarHBondContact O-N 3.25Å; V606-I608 VanDerWaalsContact C-N 3.31Å; V606-I608 PolarHBondContact O-N 2.66Å; V606-G609 WeakPolarHBondContact O-CA 3.32Å; V606-G609 PolarHBondContact O-N 3.32Å; V606-W611 HydrophobicContact CB-CB 4.49Å; V606-W611 HydrophobicContact CG2-CB 3.8Å; V606-W611 VanDerWaalsContact CG2-CD1 3.47Å; V606-W611 HydrophobicContact CG2-CD2 4.08Å; V606-W611 HydrophobicContact CG2-CG 3.52Å; V606-V618 HydrophobicContact CG2-CG2 3.91Å; V606-R619 HydrophobicContact CG1-CB 4.2Å; V606-R619 HydrophobicContact CG1-CG 4.34Å; V606-V622 HydrophobicContact CB-CG2 3.93Å; V606-V622 HydrophobicContact CG1-CB 4.11Å; V606-V622 HydrophobicContact CG1-CG2 3.9Å; V606-V622 HydrophobicContact CG2-CG2 3.95Å
607L84.4Confident85.6Confident63 Ų6325.7 Ų25.733%0.3312%0.124SC..Hα-helixtrans-63.6-33.1178.5-71.2170.7000113.2C603 H604 G609 V622 M626C603-L607 VanDerWaalsContact O-CG 3.3Å; C603-L607 WeakPolarHBondContact O-CG 3.07Å; C603-L607 PolarHBondContact O-N 3.48Å; H604-L607 PolarHBondContact O-N 3.18Å; H604-L607 VanDerWaalsContact O-N 3.14Å; L607-G609 VanDerWaalsContact C-N 3.29Å; L607-V622 HydrophobicContact CG-CG1 4.33Å; L607-M626 HydrophobicContact CD1-CE 4.48Å; L607-M626 HydrophobicContact CD1-SD 3.94Å
608I82Confident85.5Confident27 Ų2725.8 Ų25.814%0.13813%0.125CC..THydrogen-bonded Turntrans-78.7-15.8174.1-60.6167.4000111.6H604 V606 Y610 L664 R688 I691 A695H604-I608 WeakPolarHBondContact O-CB 3.36Å; H604-I608 WeakPolarHBondContact O-CD1 3.41Å; H604-I608 WeakPolarHBondContact O-CG1 3.37Å; H604-I608 PolarHBondContact O-N 3.26Å; V606-I608 VanDerWaalsContact C-N 3.31Å; V606-I608 PolarHBondContact O-N 2.66Å; I608-Y610 HydrophobicContact CB-CD2 4.08Å; I608-Y610 HydrophobicContact CB-CE2 4.2Å; I608-Y610 HydrophobicContact CG2-CD2 3.83Å; I608-Y610 HydrophobicContact CG2-CE2 3.56Å; I608-L664 HydrophobicContact CD1-CD2 3.71Å; I608-R688 HydrophobicContact CG2-CB 4.37Å; I608-I691 HydrophobicContact CB-CG2 4.26Å; I608-I691 HydrophobicContact CD1-CG2 3.91Å; I608-I691 HydrophobicContact CG1-CG2 3.59Å; I608-I691 HydrophobicContact CG2-CG2 3.77Å; I608-A695 HydrophobicContact CD1-CB 3.67Å
609G81.2Confident85.5Confident10 Ų1031.6 Ų31.610%0.10315%0.146CC..THydrogen-bonded Turntrans8721174.700000115E605 V606 L607 W611 I612 R688E605-G609 PolarHBondContact O-N 2.89Å; E605-G609 VanDerWaalsContact O-N 3.16Å; V606-G609 WeakPolarHBondContact O-CA 3.32Å; V606-G609 PolarHBondContact O-N 3.32Å; L607-G609 VanDerWaalsContact C-N 3.29Å; G609-W611 PolarHBondContact O-N 2.63Å; G609-I612 VanDerWaalsContact O-CD1 3.27Å; G609-I612 WeakPolarHBondContact O-CD1 3.34Å; G609-I612 VanDerWaalsContact O-CG1 3.23Å; G609-I612 WeakPolarHBondContact O-CG1 3.09Å; G609-I612 PolarHBondContact O-N 3.05Å; G609-R688 PolarHBondContact O-NH1 3.47Å
610Y81.1Confident85.4Confident67 Ų6734.5 Ų34.526%0.26316%0.159SC..THydrogen-bonded Turntrans-61.7-28.6168-75.1-84.4000111.8E605 I608 L664 R688E605-Y610 HydrophobicContact CB-CD2 4.37Å; E605-Y610 HydrophobicContact CG-CD2 4.43Å; E605-Y610 WeakPolarHBondContact O-CB 3.33Å; E605-Y610 PolarHBondContact O-N 3.41Å; I608-Y610 HydrophobicContact CB-CD2 4.08Å; I608-Y610 HydrophobicContact CB-CE2 4.2Å; I608-Y610 HydrophobicContact CG2-CD2 3.83Å; I608-Y610 HydrophobicContact CG2-CE2 3.56Å; Y610-L664 HydrophobicContact CD2-CD2 4.15Å; Y610-L664 HydrophobicContact CE2-CD2 3.71Å; Y610-R688 HydrophobicContact CE2-CB 4.49Å
611W86.1Confident85.4Confident4 Ų434.3 Ų34.32%0.01516%0.158CC..THydrogen-bonded Turntrans-92.414.1179.5-6678.7000114.7F467 M469 L549 V606 G609 R613 N614 V618F467-W611 HydrophobicContact CB-CH2 4.38Å; F467-W611 HydrophobicContact CB-CZ3 3.81Å; F467-W611 WeakPolarHBondContact O-CH2 3.43Å; M469-W611 VanDerWaalsContact CA-CZ3 3.48Å; M469-W611 HydrophobicContact CB-CD2 4.38Å; M469-W611 HydrophobicContact CB-CE3 4.06Å; M469-W611 HydrophobicContact CB-CH2 3.86Å; M469-W611 HydrophobicContact CB-CZ2 4.19Å; M469-W611 HydrophobicContact CB-CZ3 3.8Å; M469-W611 HydrophobicContact CE-CD2 4.26Å; M469-W611 HydrophobicContact CE-CH2 4.5Å; M469-W611 HydrophobicContact CE-CZ2 3.73Å; M469-W611 HydrophobicContact CG-CD2 4.13Å; M469-W611 HydrophobicContact CG-CE3 4.16Å; M469-W611 HydrophobicContact CG-CZ3 4.39Å; L549-W611 HydrophobicContact CB-CH2 3.7Å; L549-W611 HydrophobicContact CB-CZ2 3.95Å; L549-W611 HydrophobicContact CD2-CH2 4.03Å; L549-W611 HydrophobicContact CD2-CZ2 3.67Å; L549-W611 HydrophobicContact CG-CZ2 4.48Å; V606-W611 HydrophobicContact CB-CB 4.49Å; V606-W611 HydrophobicContact CG2-CB 3.8Å; V606-W611 VanDerWaalsContact CG2-CD1 3.47Å; V606-W611 HydrophobicContact CG2-CD2 4.08Å; V606-W611 HydrophobicContact CG2-CG 3.52Å; G609-W611 PolarHBondContact O-N 2.63Å; W611-R613 PolarHBondContact O-N 2.88Å; W611-N614 HydrophobicContact CE3-CB 4.24Å; W611-N614 WeakPolarHBondContact O-CB 3.14Å; W611-N614 PolarHBondContact O-N 3.45Å; W611-V618 HydrophobicContact CB-CG1 4.18Å; W611-V618 HydrophobicContact CE3-CG2 4.35Å
612I83.5Confident85.6Confident93 Ų9334.3 Ų34.348%0.47716%0.159SC..G310 helixtrans-53-33.9-176.8-76.6165.1000113H474 G609 N614 G615H474-I612 PolarHBondContact CD2-O 3.46Å; H474-I612 PolarHBondContact NE2-O 2.91Å; G609-I612 VanDerWaalsContact O-CD1 3.27Å; G609-I612 WeakPolarHBondContact O-CD1 3.34Å; G609-I612 VanDerWaalsContact O-CG1 3.23Å; G609-I612 WeakPolarHBondContact O-CG1 3.09Å; G609-I612 PolarHBondContact O-N 3.05Å; I612-N614 VanDerWaalsContact C-N 3.25Å; I612-N614 PolarHBondContact O-N 3.01Å; I612-G615 PolarHBondContact O-N 3.25Å
613R82Confident85.5Confident122 Ų12236.3 Ų36.346%0.4617%0.172SC..G310 helixtrans-68.7-17.8178.7-73.1170.8167.1151.1-9.7114.8K470 G472 I475 W611 G615K470-R613 HydrophobicContact CB-CB 4.07Å; K470-R613 WeakPolarHBondContact O-CB 3.36Å; K470-R613 WeakPolarHBondContact O-CD 3.12Å; G472-R613 WeakPolarHBondContact O-CD 3.37Å; G472-R613 PolarHBondContact O-NE 2.93Å; G472-R613 PolarHBondContact O-NH2 2.9Å; I475-R613 PolarHBondContact N-O 3.42Å; W611-R613 PolarHBondContact O-N 2.88Å; R613-G615 PolarHBondContact O-N 3Å
614N86.8Confident85.3Confident5 Ų538.3 Ų38.33%0.02718%0.182CC..G310 helixtrans-81.43.2176.2-77.179.1000113.2T468 K470 W611 I612 V618T468-N614 PolarHBondContact O-ND2 3.35Å; K470-N614 PolarHBondContact N-OD1 3.43Å; W611-N614 HydrophobicContact CE3-CB 4.24Å; W611-N614 WeakPolarHBondContact O-CB 3.14Å; W611-N614 PolarHBondContact O-N 3.45Å; I612-N614 VanDerWaalsContact C-N 3.25Å; I612-N614 PolarHBondContact O-N 3.01Å; N614-V618 HydrophobicContact CB-CB 4.44Å; N614-V618 HydrophobicContact CB-CG1 3.74Å
615G83.9Confident85.5Confident8 Ų837.5 Ų37.58%0.08218%0.178CC..Hα-helixtrans80.4-171.6179.400000114.2E478 I612 R613E478-G615 WeakPolarHBondContact OE1-CA 3.45Å; I612-G615 PolarHBondContact O-N 3.25Å; R613-G615 PolarHBondContact O-N 3Å
616Q84.2Confident85.5Confident87 Ų8737.7 Ų37.741%0.40718%0.179SC..Hα-helixtrans-80.3-22-177.1-177.157.431.600113.1E478 R619 Q620E478-Q616 PolarHBondContact OE1-N 3.06Å; E478-Q616 WeakPolarHBondContact OE2-CA 3.46Å; E478-Q616 PolarHBondContact OE2-N 2.98Å; Q616-R619 CarbonylContact O-C 3.49Å; Q616-R619 WeakPolarHBondContact O-CA 3.43Å; Q616-R619 WeakPolarHBondContact O-CB 3.39Å; Q616-R619 PolarHBondContact O-N 3.19Å; Q616-R619 VanDerWaalsContact O-N 3.11Å; Q616-Q620 HydrophobicContact CG-CG 4.08Å; Q616-Q620 WeakPolarHBondContact O-CG 3.39Å; Q616-Q620 PolarHBondContact O-N 2.95Å
617S86.1Confident85.2Confident13 Ų1340 Ų409%0.09119%0.189CC..Hα-helixtrans-59.1-49.1-179.554.10000112.9E478 R619 Q620 S621E478-S617 VanDerWaalsContact OE2-CB 3.28Å; E478-S617 WeakPolarHBondContact OE2-CB 3.44Å; E478-S617 PolarHBondContact OE2-N 3.39Å; E478-S617 PolarHBondContact OE2-OG 3.27Å; S617-R619 VanDerWaalsContact C-N 3.26Å; S617-R619 PolarHBondContact O-N 2.93Å; S617-Q620 PolarHBondContact O-N 3.36Å; S617-S621 WeakPolarHBondContact O-CB 3.46Å; S617-S621 PolarHBondContact O-N 3.45Å; S617-S621 PolarHBondContact O-OG 3.36Å
618V88.2Confident84.5Confident2 Ų237.8 Ų37.81%0.01218%0.179CC..Hα-helixtrans-64.2-33.1174.371.40000111.5F467 V606 W611 N614 S621 V622F467-V618 HydrophobicContact CB-CG2 4.33Å; F467-V618 HydrophobicContact CD1-CB 3.97Å; F467-V618 HydrophobicContact CD1-CG2 4.1Å; F467-V618 HydrophobicContact CD2-CG2 3.96Å; F467-V618 HydrophobicContact CE1-CB 3.99Å; F467-V618 HydrophobicContact CE1-CG2 4.4Å; F467-V618 HydrophobicContact CE2-CG2 4.27Å; F467-V618 HydrophobicContact CG-CB 4.27Å; F467-V618 HydrophobicContact CG-CG2 3.87Å; F467-V618 HydrophobicContact CZ-CB 4.3Å; F467-V618 HydrophobicContact CZ-CG2 4.48Å; V606-V618 HydrophobicContact CG2-CG2 3.91Å; W611-V618 HydrophobicContact CB-CG1 4.18Å; W611-V618 HydrophobicContact CE3-CG2 4.35Å; N614-V618 HydrophobicContact CB-CB 4.44Å; N614-V618 HydrophobicContact CB-CG1 3.74Å; V618-S621 WeakPolarHBondContact O-CB 3.23Å; V618-S621 PolarHBondContact O-N 2.93Å; V618-V622 WeakPolarHBondContact O-CG2 3.28Å; V618-V622 PolarHBondContact O-N 2.91Å
619R86.4Confident84Confident130 Ų13039.6 Ų39.649%0.49119%0.186SC..Hα-helixtrans-72.4-37.5176.8-168.4178.3-171.8165.28.7112.3V606 Q616 S617 S623V606-R619 HydrophobicContact CG1-CB 4.2Å; V606-R619 HydrophobicContact CG1-CG 4.34Å; Q616-R619 CarbonylContact O-C 3.49Å; Q616-R619 WeakPolarHBondContact O-CA 3.43Å; Q616-R619 WeakPolarHBondContact O-CB 3.39Å; Q616-R619 PolarHBondContact O-N 3.19Å; Q616-R619 VanDerWaalsContact O-N 3.11Å; S617-R619 VanDerWaalsContact C-N 3.26Å; S617-R619 PolarHBondContact O-N 2.93Å; R619-S623 WeakPolarHBondContact O-CB 3.47Å; R619-S623 PolarHBondContact O-N 3.29Å
620Q86.6Confident84Confident63 Ų6341.7 Ų41.729%0.29419%0.193SC..Hα-helixtrans-66.4-40.7170.3-73.7173.9-500110.3F482 Q616 S617 V622 S623 H624F482-Q620 HydrophobicContact CD2-CB 4.42Å; F482-Q620 HydrophobicContact CE1-CB 4.44Å; F482-Q620 HydrophobicContact CE2-CB 3.76Å; F482-Q620 HydrophobicContact CZ-CB 3.78Å; Q616-Q620 HydrophobicContact CG-CG 4.08Å; Q616-Q620 WeakPolarHBondContact O-CG 3.39Å; Q616-Q620 PolarHBondContact O-N 2.95Å; S617-Q620 PolarHBondContact O-N 3.36Å; Q620-V622 PolarHBondContact O-N 3.4Å; Q620-S623 WeakPolarHBondContact O-CB 3.39Å; Q620-S623 PolarHBondContact O-N 3.25Å; Q620-S623 VanDerWaalsContact O-N 3.12Å; Q620-H624 PolarHBondContact O-N 3.39Å; Q620-H624 PolarHBondContact O-ND1 3.37Å
621S89.5Confident84.2Confident0 Ų038.5 Ų38.50%018%0.181CC..Hα-helixtrans-57.2-51.2176.3-54.70000111.6F467 F482 F486 L551 S617 V618 S623 H624 Y625F467-S621 WeakPolarHBondContact CZ-OG 3.15Å; F482-S621 WeakPolarHBondContact CB-OG 3.32Å; F482-S621 WeakPolarHBondContact CG-OG 3.48Å; F486-S621 WeakPolarHBondContact CZ-O 3.43Å; L551-S621 VanDerWaalsContact CD1-C 3.43Å; L551-S621 WeakPolarHBondContact CD1-O 3.17Å; S617-S621 WeakPolarHBondContact O-CB 3.46Å; S617-S621 PolarHBondContact O-N 3.45Å; S617-S621 PolarHBondContact O-OG 3.36Å; V618-S621 WeakPolarHBondContact O-CB 3.23Å; V618-S621 PolarHBondContact O-N 2.93Å; S621-S623 VanDerWaalsContact C-N 3.3Å; S621-S623 PolarHBondContact O-N 2.93Å; S621-H624 PolarHBondContact O-N 2.87Å; S621-Y625 WeakPolarHBondContact O-CB 3.49Å; S621-Y625 PolarHBondContact O-N 2.91Å
622V90.7Very high84.1Confident1 Ų138.6 Ų38.61%0.00618%0.181CC..Hα-helixtrans-63.9-35.8175.2172.30000111.8L551 C603 V606 L607 V618 Q620 Y625 M626L551-V622 HydrophobicContact CD1-CG2 3.9Å; C603-V622 HydrophobicContact CB-CG1 3.76Å; C603-V622 HydrophobicContact CB-CG2 4.38Å; V606-V622 HydrophobicContact CB-CG2 3.93Å; V606-V622 HydrophobicContact CG1-CB 4.11Å; V606-V622 HydrophobicContact CG1-CG2 3.9Å; V606-V622 HydrophobicContact CG2-CG2 3.95Å; L607-V622 HydrophobicContact CG-CG1 4.33Å; V618-V622 WeakPolarHBondContact O-CG2 3.28Å; V618-V622 PolarHBondContact O-N 2.91Å; Q620-V622 PolarHBondContact O-N 3.4Å; V622-Y625 PolarHBondContact O-N 3.44Å; V622-M626 HydrophobicContact CG1-SD 4.06Å; V622-M626 WeakPolarHBondContact O-CG 3.41Å; V622-M626 PolarHBondContact O-N 2.89Å; V622-M626 VanDerWaalsContact O-N 3.12Å
623S85.7Confident84.3Confident41 Ų4134.9 Ų34.929%0.28716%0.163SC..Hα-helixtrans-64.3-39.6176.3-1670000112.8R619 Q620 S621 Q627R619-S623 WeakPolarHBondContact O-CB 3.47Å; R619-S623 PolarHBondContact O-N 3.29Å; Q620-S623 WeakPolarHBondContact O-CB 3.39Å; Q620-S623 PolarHBondContact O-N 3.25Å; Q620-S623 VanDerWaalsContact O-N 3.12Å; S621-S623 VanDerWaalsContact C-N 3.3Å; S621-S623 PolarHBondContact O-N 2.93Å; S623-Q627 WeakPolarHBondContact O-CB 3.28Å; S623-Q627 PolarHBondContact O-N 2.93Å
624H85.2Confident84.8Confident45 Ų4529.1 Ų29.121%0.20814%0.142CC..Hα-helixtrans-72.8-41.2177-69.487.1000111.5F482 F486 Q620 S621 M626 Q627F482-H624 AromaticContact CE2-CE1 3.9Å; F482-H624 AromaticContact CE2-ND1 3.95Å; F486-H624 HydrophobicContact CD1-CB 4.27Å; F486-H624 HydrophobicContact CD2-CB 4.37Å; F486-H624 HydrophobicContact CE1-CB 4.08Å; F486-H624 HydrophobicContact CE2-CB 4.22Å; F486-H624 HydrophobicContact CG-CB 4.42Å; F486-H624 HydrophobicContact CZ-CB 4.07Å; Q620-H624 PolarHBondContact O-N 3.39Å; Q620-H624 PolarHBondContact O-ND1 3.37Å; S621-H624 PolarHBondContact O-N 2.87Å; H624-M626 VanDerWaalsContact C-N 3.25Å; H624-M626 PolarHBondContact O-N 3.44Å; H624-Q627 WeakPolarHBondContact O-CB 3.38Å; H624-Q627 PolarHBondContact O-N 2.94Å; H624-Q627 VanDerWaalsContact O-N 3.13Å
625Y90.1Very high85.1Confident0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-55.3-37.8174.6172.5-112.8000113.5L551 I599 C603 S621 V622 F634 I635 D638L551-Y625 HydrophobicContact CD1-CG 4.4Å; I599-Y625 HydrophobicContact CG2-CE1 3.83Å; I599-Y625 HydrophobicContact CG2-CE2 4.29Å; I599-Y625 WeakPolarHBondContact CG2-OH 3.22Å; C603-Y625 WeakPolarHBondContact SG-CD1 3.48Å; C603-Y625 WeakPolarHBondContact SG-CE1 3.41Å; S621-Y625 WeakPolarHBondContact O-CB 3.49Å; S621-Y625 PolarHBondContact O-N 2.91Å; V622-Y625 PolarHBondContact O-N 3.44Å; Y625-F634 HydrophobicContact CD2-CB 3.73Å; Y625-F634 AromaticContact CD2-CD1 3.93Å; Y625-F634 HydrophobicContact CD2-CD1 3.93Å; Y625-F634 HydrophobicContact CD2-CG 4.24Å; Y625-F634 HydrophobicContact CE2-CB 3.88Å; Y625-I635 HydrophobicContact CD1-CD1 4.35Å; Y625-I635 HydrophobicContact CE1-CB 3.93Å; Y625-I635 HydrophobicContact CE1-CD1 3.65Å; Y625-I635 HydrophobicContact CE1-CG1 3.91Å; Y625-I635 HydrophobicContact CE2-CB 3.98Å; Y625-I635 WeakPolarHBondContact OH-CG1 3.2Å; Y625-D638 WeakPolarHBondContact CE2-OD2 3.49Å; Y625-D638 PolarHBondContact OH-OD2 2.82Å; Y625-D638 VanDerWaalsContact OH-OD2 3.08Å
626M85.9Confident85.5Confident4 Ų428.8 Ų28.82%0.0214%0.138CC..THydrogen-bonded Turntrans-97.4-1.7179.1-60-174.371.800113.9C603 L607 V622 H624 S628 I635 L798 T801C603-M626 HydrophobicContact CB-SD 4.24Å; L607-M626 HydrophobicContact CD1-CE 4.48Å; L607-M626 HydrophobicContact CD1-SD 3.94Å; V622-M626 HydrophobicContact CG1-SD 4.06Å; V622-M626 WeakPolarHBondContact O-CG 3.41Å; V622-M626 PolarHBondContact O-N 2.89Å; V622-M626 VanDerWaalsContact O-N 3.12Å; H624-M626 VanDerWaalsContact C-N 3.25Å; H624-M626 PolarHBondContact O-N 3.44Å; M626-S628 PolarHBondContact O-N 2.93Å; M626-I635 HydrophobicContact CE-CD1 4.1Å; M626-I635 HydrophobicContact CG-CD1 3.95Å; M626-L798 HydrophobicContact CE-CD1 4.45Å; M626-T801 HydrophobicContact CB-CG2 3.79Å
627Q79.5Confident86Confident55 Ų5524.6 Ų24.626%0.25712%0.118SC..  trans-67.6133.7179.9-176.8159.6-42.600109.8S623 H624 Q629 F630 C631S623-Q627 WeakPolarHBondContact O-CB 3.28Å; S623-Q627 PolarHBondContact O-N 2.93Å; H624-Q627 WeakPolarHBondContact O-CB 3.38Å; H624-Q627 PolarHBondContact O-N 2.94Å; H624-Q627 VanDerWaalsContact O-N 3.13Å; Q627-Q629 VanDerWaalsContact C-N 3.31Å; Q627-Q629 HydrophobicContact CG-CB 4.45Å; Q627-Q629 PolarHBondContact O-N 3.46Å; Q627-F630 HydrophobicContact CB-CD2 4.35Å; Q627-F630 PolarHBondContact O-N 2.84Å; Q627-C631 PolarHBondContact O-N 2.69Å
628S70Confident86.5Confident16 Ų1624.2 Ų24.211%0.11212%0.115CC..Hα-helixtrans-49.2-50.1-17556.70000112.4M626 F630 C631 L739 P741M626-S628 PolarHBondContact O-N 2.93Å; S628-F630 PolarHBondContact O-N 3.5Å; S628-C631 PolarHBondContact O-N 2.87Å; S628-C631 PolarHBondContact O-SG 2.78Å; S628-L739 VanDerWaalsContact CB-O 3.27Å; S628-L739 WeakPolarHBondContact CB-O 3.24Å; S628-L739 PolarHBondContact OG-O 2.97Å; S628-P741 VanDerWaalsContact O-CB 3.26Å; S628-P741 WeakPolarHBondContact O-CB 3.26Å; S628-P741 WeakPolarHBondContact O-CG 3.43Å
629Q71.8Confident86.9Confident65 Ų6524.3 Ų24.330%0.30412%0.116SC..Hα-helixtrans-44.7-38.6177.8-69.2171.7-20.300114.2Q627 I738Q627-Q629 VanDerWaalsContact C-N 3.31Å; Q627-Q629 HydrophobicContact CG-CB 4.45Å; Q627-Q629 PolarHBondContact O-N 3.46Å; Q629-I738 VanDerWaalsContact CG-O 3.32Å; Q629-I738 WeakPolarHBondContact CG-O 3.27Å; Q629-I738 PolarHBondContact NE2-O 3.31Å
630F80.1Confident87.3Confident54 Ų5418.1 Ų18.124%0.2379%0.092CC..Hα-helixtrans-103.2-11.7-177-57.8-59.4000114.2V490 Q627 S628 Y632 S633 F634V490-F630 HydrophobicContact CG1-CE1 4.49Å; V490-F630 HydrophobicContact CG2-CD1 4.02Å; V490-F630 HydrophobicContact CG2-CE1 3.91Å; Q627-F630 HydrophobicContact CB-CD2 4.35Å; Q627-F630 PolarHBondContact O-N 2.84Å; S628-F630 PolarHBondContact O-N 3.5Å; F630-Y632 PolarHBondContact O-N 3.35Å; F630-S633 PolarHBondContact O-N 2.98Å; F630-F634 HydrophobicContact CB-CD2 3.86Å; F630-F634 HydrophobicContact CB-CE2 4.17Å; F630-F634 WeakPolarHBondContact O-CD2 3.47Å; F630-F634 PolarHBondContact O-N 3.05Å
631C85.7Confident87.8Confident1 Ų115.2 Ų15.21%0.0078%0.079CC..Hα-helixtrans-57.2-32.8-16669.10000114Q627 S628 F634 I635 D636 R799Q627-C631 PolarHBondContact O-N 2.69Å; S628-C631 PolarHBondContact O-N 2.87Å; S628-C631 PolarHBondContact O-SG 2.78Å; C631-F634 CarbonylContact O-C 3.47Å; C631-F634 PolarHBondContact O-N 3.33Å; C631-I635 HydrophobicContact CB-CG2 3.76Å; C631-I635 PolarHBondContact O-N 2.85Å; C631-D636 WeakPolarHBondContact O-CB 3.46Å; C631-D636 PolarHBondContact O-N 3.38Å; C631-R799 PolarHBondContact SG-NH1 3.35Å; C631-R799 PolarHBondContact SG-NH2 3.13Å
632Y85Confident88Confident5 Ų515.3 Ų15.32%0.028%0.08CC..THydrogen-bonded Turntrans-70.4-27.6175.9-73.9-69.6000115.4W498 F630 D636 L637 L717 E721 P741 R743 R799W498-Y632 WeakPolarHBondContact CZ2-O 3.42Å; F630-Y632 PolarHBondContact O-N 3.35Å; Y632-D636 HydrophobicContact CD1-CB 4.18Å; Y632-D636 HydrophobicContact CE1-CB 4.49Å; Y632-D636 VanDerWaalsContact CE1-OD2 3.24Å; Y632-D636 WeakPolarHBondContact CE1-OD2 3.33Å; Y632-L637 VanDerWaalsContact O-CD1 3.31Å; Y632-L637 WeakPolarHBondContact O-CD1 3.21Å; Y632-L637 VanDerWaalsContact O-CG 3.29Å; Y632-L637 WeakPolarHBondContact O-CG 3.29Å; Y632-L717 HydrophobicContact CE1-CD1 4.41Å; Y632-L717 HydrophobicContact CE1-CD2 3.71Å; Y632-L717 HydrophobicContact CE1-CG 4.26Å; Y632-L717 WeakPolarHBondContact OH-CD1 3.41Å; Y632-L717 WeakPolarHBondContact OH-CG 3.45Å; Y632-E721 VanDerWaalsContact CE2-OE1 3.27Å; Y632-E721 WeakPolarHBondContact CE2-OE1 3.46Å; Y632-E721 VanDerWaalsContact CZ-OE1 3.3Å; Y632-E721 PolarHBondContact OH-OE1 2.89Å; Y632-P741 HydrophobicContact CD2-CB 3.49Å; Y632-P741 VanDerWaalsContact CD2-CB 3.49Å; Y632-P741 HydrophobicContact CD2-CG 3.87Å; Y632-P741 HydrophobicContact CE2-CB 3.79Å; Y632-P741 HydrophobicContact CE2-CG 3.69Å; Y632-R743 HydrophobicContact CD2-CB 4.38Å; Y632-R743 HydrophobicContact CG-CB 4.26Å; Y632-R799 PolarHBondContact OH-NH2 3.17Å; Y632-R799 VanDerWaalsContact OH-NH2 3.09Å
633S87Confident88.3Confident16 Ų1615.5 Ų15.511%0.1128%0.08CC..THydrogen-bonded Turntrans-84.6-16.2174.4-52.50000111.8W498 R557 F630W498-S633 PolarHBondContact NE1-OG 3.22Å; R557-S633 WeakPolarHBondContact CD-O 3.22Å; F630-S633 PolarHBondContact O-N 2.98Å
634F92.6Very high88.7Confident0 Ų013.6 Ų13.60%07%0.067CC..THydrogen-bonded Turntrans-123.5-103-172.3-69.3-100.7000111.5F486 E489 V490 Y625 F630 C631 D636 L637 D638F486-F634 AromaticContact CD1-CE1 3.86Å; F486-F634 HydrophobicContact CD1-CE1 3.86Å; F486-F634 AromaticContact CD1-CZ 3.75Å; F486-F634 HydrophobicContact CD1-CZ 3.75Å; F486-F634 HydrophobicContact CE1-CD1 4.03Å; F486-F634 AromaticContact CE1-CE1 3.52Å; F486-F634 HydrophobicContact CE1-CE1 3.52Å; F486-F634 AromaticContact CE1-CZ 3.85Å; F486-F634 HydrophobicContact CE1-CZ 3.85Å; E489-F634 HydrophobicContact CB-CZ 4.26Å; E489-F634 HydrophobicContact CG-CE1 4.2Å; E489-F634 HydrophobicContact CG-CZ 3.98Å; E489-F634 WeakPolarHBondContact OE2-CE1 3.47Å; V490-F634 HydrophobicContact CG2-CE2 4.14Å; V490-F634 HydrophobicContact CG2-CZ 4.33Å; Y625-F634 HydrophobicContact CD2-CB 3.73Å; Y625-F634 AromaticContact CD2-CD1 3.93Å; Y625-F634 HydrophobicContact CD2-CD1 3.93Å; Y625-F634 HydrophobicContact CD2-CG 4.24Å; Y625-F634 HydrophobicContact CE2-CB 3.88Å; F630-F634 HydrophobicContact CB-CD2 3.86Å; F630-F634 HydrophobicContact CB-CE2 4.17Å; F630-F634 WeakPolarHBondContact O-CD2 3.47Å; F630-F634 PolarHBondContact O-N 3.05Å; C631-F634 CarbonylContact O-C 3.47Å; C631-F634 PolarHBondContact O-N 3.33Å; F634-D636 VanDerWaalsContact C-N 3.33Å; F634-D636 PolarHBondContact O-N 3.24Å; F634-D636 VanDerWaalsContact O-N 3.17Å; F634-L637 PolarHBondContact O-N 3.33Å; F634-D638 PolarHBondContact O-N 3.18Å
635I93.3Very high89.2Confident2 Ų211.5 Ų11.51%0.016%0.057CC..Hα-helixtrans-59.1-32.3-166.2-169.3163.4000115.1L600 Y625 M626 C631 L637 D638 I639 L798L600-I635 HydrophobicContact CD1-CD1 4.2Å; L600-I635 HydrophobicContact CD1-CG1 4.2Å; Y625-I635 HydrophobicContact CD1-CD1 4.35Å; Y625-I635 HydrophobicContact CE1-CB 3.93Å; Y625-I635 HydrophobicContact CE1-CD1 3.65Å; Y625-I635 HydrophobicContact CE1-CG1 3.91Å; Y625-I635 HydrophobicContact CE2-CB 3.98Å; Y625-I635 WeakPolarHBondContact OH-CG1 3.2Å; M626-I635 HydrophobicContact CE-CD1 4.1Å; M626-I635 HydrophobicContact CG-CD1 3.95Å; C631-I635 HydrophobicContact CB-CG2 3.76Å; C631-I635 PolarHBondContact O-N 2.85Å; I635-L637 VanDerWaalsContact C-N 3.33Å; I635-L637 PolarHBondContact O-N 2.97Å; I635-D638 PolarHBondContact O-N 3.18Å; I635-I639 HydrophobicContact CD1-CD1 4.5Å; I635-I639 HydrophobicContact CG1-CD1 3.83Å; I635-I639 HydrophobicContact CG1-CG1 4.27Å; I635-I639 WeakPolarHBondContact O-CB 3.41Å; I635-I639 VanDerWaalsContact O-CG1 3.24Å; I635-I639 WeakPolarHBondContact O-CG1 3.32Å; I635-I639 PolarHBondContact O-N 3.05Å; I635-L798 HydrophobicContact CD1-CD1 3.45Å; I635-L798 VanDerWaalsContact CD1-CD1 3.45Å; I635-L798 HydrophobicContact CG1-CD1 3.92Å; I635-L798 HydrophobicContact CG2-CD1 4.27Å
636D92.5Very high89.3Confident4 Ų411.5 Ų11.52%0.0216%0.058CC..Hα-helixtrans-72.2-27.4178.1-76.935.1000112.6C631 Y632 F634 F640 N708 N709 R799C631-D636 WeakPolarHBondContact O-CB 3.46Å; C631-D636 PolarHBondContact O-N 3.38Å; Y632-D636 HydrophobicContact CD1-CB 4.18Å; Y632-D636 HydrophobicContact CE1-CB 4.49Å; Y632-D636 VanDerWaalsContact CE1-OD2 3.24Å; Y632-D636 WeakPolarHBondContact CE1-OD2 3.33Å; F634-D636 VanDerWaalsContact C-N 3.33Å; F634-D636 PolarHBondContact O-N 3.24Å; F634-D636 VanDerWaalsContact O-N 3.17Å; D636-F640 WeakPolarHBondContact O-CB 3.26Å; D636-F640 PolarHBondContact O-N 2.87Å; D636-F640 VanDerWaalsContact O-N 3.13Å; D636-N708 PolarHBondContact OD2-ND2 3.22Å; D636-N709 PolarHBondContact O-ND2 3Å; D636-R799 IonicContact OD1-CZ 2.71Å; D636-R799 IonicContact OD1-NH1 3.87Å; D636-R799 PolarHBondContact OD1-NH1 3.46Å; D636-R799 IonicContact OD1-NH2 3.9Å; D636-R799 PolarHBondContact OD1-NH2 3.17Å; D636-R799 IonicContact OD2-CZ 2.66Å; D636-R799 IonicContact OD2-NH1 2.74Å; D636-R799 IonicContact OD2-NH2 2.78Å; D636-R799 PolarHBondContact OD2-NH2 3.33Å
637L94.3Very high89.7Confident0 Ų011.5 Ų11.50%06%0.058CC..Hα-helixtrans-80.8-36.3172.1-72175.1000111.2M497 W498 R557 S560 C561 Y632 F634 I635 F640 A641M497-L637 HydrophobicContact CE-CD1 3.72Å; M497-L637 HydrophobicContact SD-CD1 4.24Å; W498-L637 HydrophobicContact CH2-CD1 4.48Å; W498-L637 HydrophobicContact CZ2-CD1 4.43Å; R557-L637 HydrophobicContact CB-CD1 4.23Å; R557-L637 HydrophobicContact CG-CB 4.36Å; S560-L637 PolarHBondContact OG-O 3Å; C561-L637 HydrophobicContact CB-CD1 4.07Å; C561-L637 HydrophobicContact CB-CD2 3.92Å; Y632-L637 VanDerWaalsContact O-CD1 3.31Å; Y632-L637 WeakPolarHBondContact O-CD1 3.21Å; Y632-L637 VanDerWaalsContact O-CG 3.29Å; Y632-L637 WeakPolarHBondContact O-CG 3.29Å; F634-L637 PolarHBondContact O-N 3.33Å; I635-L637 VanDerWaalsContact C-N 3.33Å; I635-L637 PolarHBondContact O-N 2.97Å; L637-F640 PolarHBondContact O-N 3.13Å; L637-A641 WeakPolarHBondContact O-CB 3.31Å; L637-A641 PolarHBondContact O-N 3.41Å
638D96.1Very high90.2Very high4 Ų410.3 Ų10.32%0.0215%0.054CC..Hα-helixtrans-67.3-38.8175.4-66-5.2000110.8R557 L596 Y625 F634 I635 A641 L642R557-D638 VanDerWaalsContact CG-OD1 3.26Å; R557-D638 WeakPolarHBondContact CG-OD1 3.28Å; R557-D638 IonicContact CZ-OD1 2.79Å; R557-D638 IonicContact CZ-OD2 2.81Å; R557-D638 IonicContact NE-OD1 2.7Å; R557-D638 PolarHBondContact NE-OD1 3.01Å; R557-D638 IonicContact NE-OD2 3.76Å; R557-D638 PolarHBondContact NE-OD2 2.93Å; R557-D638 IonicContact NH2-OD1 3.2Å; R557-D638 IonicContact NH2-OD2 3.62Å; R557-D638 PolarHBondContact NH2-OD2 3.42Å; L596-D638 HydrophobicContact CD2-CB 3.99Å; Y625-D638 WeakPolarHBondContact CE2-OD2 3.49Å; Y625-D638 PolarHBondContact OH-OD2 2.82Å; Y625-D638 VanDerWaalsContact OH-OD2 3.08Å; F634-D638 PolarHBondContact O-N 3.18Å; I635-D638 PolarHBondContact O-N 3.18Å; D638-A641 PolarHBondContact O-N 3.41Å; D638-L642 WeakPolarHBondContact O-CB 3.22Å; D638-L642 PolarHBondContact O-N 3.09Å
639I96Very high91.1Very high4 Ų411.1 Ų11.12%0.0216%0.056CC..Hα-helixtrans-65.3-43.5171.2-70.7167.7000111.2L600 I635 A641 L642 Q643 F702 L706 L798L600-I639 HydrophobicContact CD1-CD1 4.37Å; L600-I639 HydrophobicContact CD1-CG1 3.94Å; I635-I639 HydrophobicContact CD1-CD1 4.5Å; I635-I639 HydrophobicContact CG1-CD1 3.83Å; I635-I639 HydrophobicContact CG1-CG1 4.27Å; I635-I639 WeakPolarHBondContact O-CB 3.41Å; I635-I639 VanDerWaalsContact O-CG1 3.24Å; I635-I639 WeakPolarHBondContact O-CG1 3.32Å; I635-I639 PolarHBondContact O-N 3.05Å; I639-A641 PolarHBondContact O-N 3.02Å; I639-L642 PolarHBondContact O-N 3.35Å; I639-Q643 HydrophobicContact CG2-CG 4.4Å; I639-Q643 VanDerWaalsContact O-CG 3.31Å; I639-Q643 WeakPolarHBondContact O-CG 3.43Å; I639-Q643 PolarHBondContact O-N 2.99Å; I639-F702 HydrophobicContact CD1-CB 4.26Å; I639-F702 HydrophobicContact CD1-CD2 4.4Å; I639-L706 HydrophobicContact CD1-CD1 4.04Å; I639-L798 HydrophobicContact CD1-CD1 3.91Å; I639-L798 HydrophobicContact CD1-CD2 3.9Å
640F96.3Very high91.9Very high0 Ų011.4 Ų11.40%06%0.064CC..Hα-helixtrans-61.7-43.6175.6177.6-96.8000112S560 L563 H564 D636 L637 L642 Q643 V644 N709 L710 F843S560-F640 WeakPolarHBondContact O-CE1 3.46Å; S560-F640 WeakPolarHBondContact OG-CD1 3.47Å; L563-F640 HydrophobicContact CB-CE1 4.25Å; H564-F640 HydrophobicContact CB-CD1 4.08Å; H564-F640 HydrophobicContact CB-CE1 3.61Å; H564-F640 HydrophobicContact CB-CE2 4.14Å; H564-F640 HydrophobicContact CB-CZ 3.64Å; D636-F640 WeakPolarHBondContact O-CB 3.26Å; D636-F640 PolarHBondContact O-N 2.87Å; D636-F640 VanDerWaalsContact O-N 3.13Å; L637-F640 PolarHBondContact O-N 3.13Å; F640-L642 VanDerWaalsContact C-N 3.28Å; F640-L642 PolarHBondContact O-N 3.35Å; F640-Q643 CarbonylContact O-C 3.57Å; F640-Q643 WeakPolarHBondContact O-CB 3.37Å; F640-Q643 PolarHBondContact O-N 3.02Å; F640-Q643 VanDerWaalsContact O-N 3.15Å; F640-V644 HydrophobicContact CD1-CG2 4.07Å; F640-V644 HydrophobicContact CE1-CG2 3.61Å; F640-V644 HydrophobicContact CE2-CG2 4.5Å; F640-V644 HydrophobicContact CZ-CG2 3.86Å; F640-V644 WeakPolarHBondContact O-CG2 3.41Å; F640-V644 PolarHBondContact O-N 3.18Å; F640-N709 HydrophobicContact CB-CB 3.91Å; F640-N709 HydrophobicContact CD2-CB 3.47Å; F640-N709 VanDerWaalsContact CD2-CB 3.47Å; F640-N709 HydrophobicContact CE2-CB 4.22Å; F640-N709 VanDerWaalsContact CE2-O 3.32Å; F640-N709 WeakPolarHBondContact CE2-O 3.49Å; F640-N709 HydrophobicContact CG-CB 3.84Å; F640-L710 HydrophobicContact CD2-CD2 4.11Å; F640-L710 HydrophobicContact CD2-CG 4.1Å; F640-L710 HydrophobicContact CE2-CD2 3.63Å; F640-L710 HydrophobicContact CE2-CG 4.13Å; F640-F843 HydrophobicContact CE2-CE1 4.11Å; F640-F843 AromaticContact CE2-CZ 3.86Å; F640-F843 HydrophobicContact CE2-CZ 3.86Å; F640-F843 HydrophobicContact CZ-CE1 4.27Å; F640-F843 AromaticContact CZ-CZ 3.75Å; F640-F843 HydrophobicContact CZ-CZ 3.75Å
641A95.8Very high92.2Very high3 Ų310.1 Ų10.13%0.0256%0.061CC..Hα-helixtrans-62-37.3175.900000111.6F592 L596 L637 D638 I639 V644 C645F592-A641 HydrophobicContact CE2-CB 3.91Å; F592-A641 HydrophobicContact CZ-CB 3.78Å; L596-A641 HydrophobicContact CD1-CB 3.59Å; L596-A641 HydrophobicContact CD2-CB 4.21Å; L637-A641 WeakPolarHBondContact O-CB 3.31Å; L637-A641 PolarHBondContact O-N 3.41Å; D638-A641 PolarHBondContact O-N 3.41Å; I639-A641 PolarHBondContact O-N 3.02Å; A641-V644 WeakPolarHBondContact O-CB 3.36Å; A641-V644 PolarHBondContact O-N 3.2Å; A641-C645 PolarHBondContact O-N 3.05Å; A641-C645 PolarHBondContact O-SG 2.91Å
642L95.4Very high92Very high2 Ų211.4 Ų11.41%0.017%0.072CC..Hα-helixtrans-70.1-34.6175.1-172.752.3000112.1M593 L596 V597 L600 D638 I639 F640 C645 T646 F654 V703M593-L642 HydrophobicContact CG-CD1 3.7Å; L596-L642 HydrophobicContact CB-CB 4.49Å; L596-L642 HydrophobicContact CB-CD1 4.49Å; L596-L642 HydrophobicContact CD1-CB 4.18Å; V597-L642 HydrophobicContact CG2-CD1 3.74Å; V597-L642 HydrophobicContact CG2-CD2 4.19Å; L600-L642 HydrophobicContact CD2-CD2 4.08Å; D638-L642 WeakPolarHBondContact O-CB 3.22Å; D638-L642 PolarHBondContact O-N 3.09Å; I639-L642 PolarHBondContact O-N 3.35Å; F640-L642 VanDerWaalsContact C-N 3.28Å; F640-L642 PolarHBondContact O-N 3.35Å; L642-C645 PolarHBondContact O-N 3.39Å; L642-T646 WeakPolarHBondContact O-CB 3.25Å; L642-T646 PolarHBondContact O-N 2.68Å; L642-T646 PolarHBondContact O-OG1 3.48Å; L642-F654 HydrophobicContact CD1-CD2 4.08Å; L642-F654 HydrophobicContact CD1-CE2 3.98Å; L642-F654 HydrophobicContact CD2-CE2 4.24Å; L642-F654 HydrophobicContact CG-CE2 4.05Å; L642-V703 HydrophobicContact CD2-CG2 3.56Å; L642-V703 HydrophobicContact CG-CG2 3.84Å
643Q96.1Very high91.9Very high4 Ų416.7 Ų16.72%0.0199%0.092CC..Hα-helixtrans-65.5-38.7170.5-72.6173.4-32.600112I639 F640 T646 A647 V703 L706 L710 L846I639-Q643 HydrophobicContact CG2-CG 4.4Å; I639-Q643 VanDerWaalsContact O-CG 3.31Å; I639-Q643 WeakPolarHBondContact O-CG 3.43Å; I639-Q643 PolarHBondContact O-N 2.99Å; F640-Q643 CarbonylContact O-C 3.57Å; F640-Q643 WeakPolarHBondContact O-CB 3.37Å; F640-Q643 PolarHBondContact O-N 3.02Å; F640-Q643 VanDerWaalsContact O-N 3.15Å; Q643-T646 PolarHBondContact O-N 3.31Å; Q643-A647 VanDerWaalsContact O-CB 3.28Å; Q643-A647 WeakPolarHBondContact O-CB 3.45Å; Q643-A647 PolarHBondContact O-N 3.38Å; Q643-V703 HydrophobicContact CG-CG1 4.09Å; Q643-V703 WeakPolarHBondContact CG-O 3.36Å; Q643-V703 PolarHBondContact NE2-O 3.45Å; Q643-L706 PolarHBondContact NE2-O 2.87Å; Q643-L710 HydrophobicContact CB-CD1 4.14Å; Q643-L710 HydrophobicContact CG-CD1 4.29Å; Q643-L846 HydrophobicContact CB-CD1 4.43Å; Q643-L846 HydrophobicContact CB-CD2 4.46Å; Q643-L846 HydrophobicContact CG-CD1 4.29Å; Q643-L846 HydrophobicContact CG-CD2 4.14Å
644V95.1Very high91.9Very high2 Ų215.9 Ų15.91%0.0129%0.087CC..Hα-helixtrans-59.8-51.7170.5169.40000110.4I574 L578 F640 A641 T646 A647 L648 F843I574-V644 HydrophobicContact CD1-CB 4.25Å; I574-V644 HydrophobicContact CD1-CG1 3.65Å; I574-V644 HydrophobicContact CD1-CG2 3.64Å; L578-V644 HydrophobicContact CD1-CG1 4.33Å; F640-V644 HydrophobicContact CD1-CG2 4.07Å; F640-V644 HydrophobicContact CE1-CG2 3.61Å; F640-V644 HydrophobicContact CE2-CG2 4.5Å; F640-V644 HydrophobicContact CZ-CG2 3.86Å; F640-V644 WeakPolarHBondContact O-CG2 3.41Å; F640-V644 PolarHBondContact O-N 3.18Å; A641-V644 WeakPolarHBondContact O-CB 3.36Å; A641-V644 PolarHBondContact O-N 3.2Å; V644-T646 VanDerWaalsContact C-N 3.32Å; V644-T646 PolarHBondContact O-N 2.94Å; V644-A647 PolarHBondContact O-N 3.33Å; V644-L648 HydrophobicContact CG1-CD1 3.84Å; V644-L648 WeakPolarHBondContact O-CB 3.47Å; V644-L648 VanDerWaalsContact O-CG 3.24Å; V644-L648 WeakPolarHBondContact O-CG 3.28Å; V644-L648 PolarHBondContact O-N 3.1Å; V644-F843 HydrophobicContact CB-CE1 4.47Å; V644-F843 HydrophobicContact CG2-CE1 3.66Å; V644-F843 HydrophobicContact CG2-CZ 3.89Å
645C94.2Very high91.6Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-55.8-46.9176.7-68.60000111.8L589 M593 A641 L642 L648 L649L589-C645 HydrophobicContact CD1-CB 4.35Å; L589-C645 VanDerWaalsContact CD1-SG 3.53Å; L589-C645 HydrophobicContact CG-CB 4.48Å; M593-C645 HydrophobicContact CB-CB 3.9Å; M593-C645 HydrophobicContact CG-CB 4.07Å; M593-C645 HydrophobicContact SD-CB 4.48Å; A641-C645 PolarHBondContact O-N 3.05Å; A641-C645 PolarHBondContact O-SG 2.91Å; L642-C645 PolarHBondContact O-N 3.39Å; C645-L648 PolarHBondContact O-N 3.39Å; C645-L649 HydrophobicContact CB-CD1 4.43Å; C645-L649 WeakPolarHBondContact O-CB 3.35Å; C645-L649 WeakPolarHBondContact O-CG 3.45Å; C645-L649 PolarHBondContact O-N 3.32Å
646T93.4Very high91Very high1 Ų119 Ų191%0.00610%0.103CC..Hα-helixtrans-72.9-29.5-175.6-52.90000113.3L642 Q643 V644 L648 F654 L846 V849L642-T646 WeakPolarHBondContact O-CB 3.25Å; L642-T646 PolarHBondContact O-N 2.68Å; L642-T646 PolarHBondContact O-OG1 3.48Å; Q643-T646 PolarHBondContact O-N 3.31Å; V644-T646 VanDerWaalsContact C-N 3.32Å; V644-T646 PolarHBondContact O-N 2.94Å; T646-L648 VanDerWaalsContact C-N 3.28Å; T646-L648 PolarHBondContact O-N 3.04Å; T646-F654 HydrophobicContact CG2-CB 4.1Å; T646-F654 HydrophobicContact CG2-CD1 3.54Å; T646-F654 HydrophobicContact CG2-CD2 4.25Å; T646-F654 HydrophobicContact CG2-CE1 3.94Å; T646-F654 HydrophobicContact CG2-CG 3.7Å; T646-F654 HydrophobicContact CG2-CZ 4.45Å; T646-F654 WeakPolarHBondContact OG1-CD2 3.18Å; T646-F654 WeakPolarHBondContact OG1-CG 3.35Å; T646-L846 HydrophobicContact CG2-CD1 3.77Å; T646-V849 HydrophobicContact CG2-CG2 3.49Å; T646-V849 VanDerWaalsContact CG2-CG2 3.49Å
647A92.7Very high90.4Very high4 Ų419.1 Ų19.13%0.03311%0.106CC..Hα-helixtrans-76.3-15.1174.300000113.7R575 Q643 V644 F843 L846R575-A647 PolarHBondContact NH2-O 3.5Å; Q643-A647 VanDerWaalsContact O-CB 3.28Å; Q643-A647 WeakPolarHBondContact O-CB 3.45Å; Q643-A647 PolarHBondContact O-N 3.38Å; V644-A647 PolarHBondContact O-N 3.33Å; A647-F843 HydrophobicContact CB-CD1 4.14Å; A647-L846 HydrophobicContact CB-CB 4.36Å
648L91.1Very high89.7Confident30 Ų3019.1 Ų19.116%0.15711%0.106CC..Hα-helixtrans-110.3-33.6-174.7-67.1-178.5000113.5I574 R575 L578 L589 V644 C645 T646I574-L648 HydrophobicContact CG2-CD2 4.28Å; R575-L648 HydrophobicContact CG-CD2 3.63Å; L578-L648 HydrophobicContact CD1-CD1 3.53Å; L589-L648 HydrophobicContact CD2-CB 3.58Å; L589-L648 HydrophobicContact CD2-CD1 4.12Å; V644-L648 HydrophobicContact CG1-CD1 3.84Å; V644-L648 WeakPolarHBondContact O-CB 3.47Å; V644-L648 VanDerWaalsContact O-CG 3.24Å; V644-L648 WeakPolarHBondContact O-CG 3.28Å; V644-L648 PolarHBondContact O-N 3.1Å; C645-L648 PolarHBondContact O-N 3.39Å; T646-L648 VanDerWaalsContact C-N 3.28Å; T646-L648 PolarHBondContact O-N 3.04Å
649L89.5Confident88.7Confident32 Ų3220.6 Ų20.617%0.16812%0.115CC..SBendtrans-86.4154.2176.2-66.6172.7000112.5L589 M593 C645L589-L649 HydrophobicContact CB-CD2 4.37Å; L589-L649 HydrophobicContact CD2-CD1 4.43Å; L589-L649 HydrophobicContact CD2-CD2 3.91Å; L589-L649 HydrophobicContact CD2-CG 3.75Å; L589-L649 HydrophobicContact CG-CD1 4.24Å; L589-L649 HydrophobicContact CG-CD2 4.28Å; L589-L649 HydrophobicContact CG-CG 4.09Å; M593-L649 HydrophobicContact CB-CD1 4.36Å; M593-L649 HydrophobicContact CE-CD1 4Å; M593-L649 HydrophobicContact SD-CD1 3.66Å; C645-L649 HydrophobicContact CB-CD1 4.43Å; C645-L649 WeakPolarHBondContact O-CB 3.35Å; C645-L649 WeakPolarHBondContact O-CG 3.45Å; C645-L649 PolarHBondContact O-N 3.32Å
650P87.2Confident87.2Confident72 Ų7226.1 Ų26.147%0.46814%0.144SC..  trans-55.9132.3165.7-26.934.6000112.4A652 Y653P650-A652 PolarHBondContact O-N 3.42Å; P650-Y653 HydrophobicContact CB-CD2 3.94Å; P650-Y653 HydrophobicContact CB-CE2 4.22Å; P650-Y653 HydrophobicContact CG-CD2 4.03Å; P650-Y653 HydrophobicContact CG-CE2 3.99Å; P650-Y653 PolarHBondContact O-N 3.47Å
651P86.6Confident85.6Confident27 Ų2728.1 Ų28.118%0.17515%0.154CC..Hα-helixtrans-52.2-30-174.6-34.637.9000116.8Y653 F654 L655 H848 V849P651-Y653 VanDerWaalsContact C-N 3.3Å; P651-Y653 PolarHBondContact O-N 3.16Å; P651-F654 PolarHBondContact O-N 3.49Å; P651-L655 WeakPolarHBondContact O-CG 3.44Å; P651-L655 PolarHBondContact O-N 2.94Å; P651-H848 HydrophobicContact CG-CB 4.05Å; P651-V849 HydrophobicContact CB-CB 4.46Å; P651-V849 HydrophobicContact CB-CG2 4.04Å; P651-V849 HydrophobicContact CG-CG2 4.25Å
652A81Confident84Confident28 Ų2828.1 Ų28.123%0.23115%0.153CC..Hα-helixtrans-60.8-36.1178.300000112.6P650 N656P650-A652 PolarHBondContact O-N 3.42Å; A652-N656 VanDerWaalsContact O-CB 3.25Å; A652-N656 WeakPolarHBondContact O-CB 3.46Å; A652-N656 PolarHBondContact O-N 3.04Å; A652-N656 PolarHBondContact O-OD1 3.33Å
653Y83Confident82.4Confident115 Ų11530.4 Ų30.445%0.45116%0.163SC..Hα-helixtrans-66.1-40.6177.7-70.4-66000112.3M593 P650 P651 A657M593-Y653 WeakPolarHBondContact CE-O 3.39Å; P650-Y653 HydrophobicContact CB-CD2 3.94Å; P650-Y653 HydrophobicContact CB-CE2 4.22Å; P650-Y653 HydrophobicContact CG-CD2 4.03Å; P650-Y653 HydrophobicContact CG-CE2 3.99Å; P650-Y653 PolarHBondContact O-N 3.47Å; P651-Y653 VanDerWaalsContact C-N 3.3Å; P651-Y653 PolarHBondContact O-N 3.16Å; Y653-A657 WeakPolarHBondContact O-CB 3.33Å; Y653-A657 PolarHBondContact O-N 2.85Å
654F88.4Confident80.7Confident0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-66.9-46.1177.9167.4-113.8000111.7M593 L642 T646 P651 A657 L658 L700 V703 V849M593-F654 HydrophobicContact SD-CB 3.99Å; M593-F654 HydrophobicContact SD-CD2 4.31Å; L642-F654 HydrophobicContact CD1-CD2 4.08Å; L642-F654 HydrophobicContact CD1-CE2 3.98Å; L642-F654 HydrophobicContact CD2-CE2 4.24Å; L642-F654 HydrophobicContact CG-CE2 4.05Å; T646-F654 HydrophobicContact CG2-CB 4.1Å; T646-F654 HydrophobicContact CG2-CD1 3.54Å; T646-F654 HydrophobicContact CG2-CD2 4.25Å; T646-F654 HydrophobicContact CG2-CE1 3.94Å; T646-F654 HydrophobicContact CG2-CG 3.7Å; T646-F654 HydrophobicContact CG2-CZ 4.45Å; T646-F654 WeakPolarHBondContact OG1-CD2 3.18Å; T646-F654 WeakPolarHBondContact OG1-CG 3.35Å; P651-F654 PolarHBondContact O-N 3.49Å; F654-A657 PolarHBondContact O-N 2.95Å; F654-L658 HydrophobicContact CD1-CD1 4.39Å; F654-L658 HydrophobicContact CD2-CD1 4.21Å; F654-L658 HydrophobicContact CD2-CG 4.44Å; F654-L658 HydrophobicContact CE1-CD1 3.78Å; F654-L658 HydrophobicContact CE2-CD1 3.55Å; F654-L658 HydrophobicContact CE2-CG 4.03Å; F654-L658 HydrophobicContact CZ-CD1 3.32Å; F654-L658 HydrophobicContact CZ-CG 4.29Å; F654-L658 WeakPolarHBondContact O-CB 3.34Å; F654-L658 PolarHBondContact O-N 3.17Å; F654-L700 HydrophobicContact CE1-CD1 3.72Å; F654-L700 HydrophobicContact CZ-CD1 4.25Å; F654-V703 HydrophobicContact CE1-CG1 4.25Å; F654-V703 HydrophobicContact CE2-CB 4.43Å; F654-V703 HydrophobicContact CE2-CG1 4.04Å; F654-V703 HydrophobicContact CE2-CG2 4.16Å; F654-V703 HydrophobicContact CZ-CB 3.81Å; F654-V703 HydrophobicContact CZ-CG1 3.57Å; F654-V703 HydrophobicContact CZ-CG2 3.95Å; F654-V849 HydrophobicContact CD1-CG1 4.27Å; F654-V849 HydrophobicContact CD1-CG2 4.15Å; F654-V849 HydrophobicContact CE1-CG1 4.35Å
655L86.4Confident79Confident0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-64.9-43.9178.1-68.3170000111.9P651 L658 V659 L700 V849 S852 H854 L855P651-L655 WeakPolarHBondContact O-CG 3.44Å; P651-L655 PolarHBondContact O-N 2.94Å; L655-L658 PolarHBondContact O-N 2.94Å; L655-V659 WeakPolarHBondContact O-CG2 3.32Å; L655-V659 PolarHBondContact O-N 3.36Å; L655-L700 HydrophobicContact CD2-CD1 4.23Å; L655-V849 HydrophobicContact CD1-CG1 4.26Å; L655-V849 HydrophobicContact CD2-CG1 4.02Å; L655-V849 HydrophobicContact CG-CG1 4.23Å; L655-S852 VanDerWaalsContact CD1-OG 3.32Å; L655-S852 WeakPolarHBondContact CD1-OG 3.2Å; L655-H854 HydrophobicContact CD1-CB 3.8Å; L655-L855 HydrophobicContact CD1-CB 3.92Å; L655-L855 HydrophobicContact CD2-CD1 4.4Å
656N79.5Confident77Confident66 Ų6635.6 Ų35.635%0.35318%0.183SC..Hα-helixtrans-67.3-42.1177.9-66.512000111.1A652 L658 V659 D660A652-N656 VanDerWaalsContact O-CB 3.25Å; A652-N656 WeakPolarHBondContact O-CB 3.46Å; A652-N656 PolarHBondContact O-N 3.04Å; A652-N656 PolarHBondContact O-OD1 3.33Å; N656-L658 VanDerWaalsContact C-N 3.27Å; N656-L658 PolarHBondContact O-N 3.36Å; N656-V659 CarbonylContact O-C 3.55Å; N656-V659 WeakPolarHBondContact O-CA 3.46Å; N656-V659 PolarHBondContact O-N 3Å; N656-D660 WeakPolarHBondContact O-CB 3.36Å; N656-D660 PolarHBondContact O-N 2.86Å
657A80.2Confident74.8Confident8 Ų837.7 Ų37.77%0.06620%0.204CC..Hα-helixtrans-59-38.6174.100000112.5M593 V597 Y653 F654 V659 Q661M593-A657 HydrophobicContact CE-CB 3.74Å; V597-A657 HydrophobicContact CG1-CB 4.44Å; V597-A657 WeakPolarHBondContact CG1-O 3.3Å; V597-A657 HydrophobicContact CG2-CB 4.47Å; Y653-A657 WeakPolarHBondContact O-CB 3.33Å; Y653-A657 PolarHBondContact O-N 2.85Å; F654-A657 PolarHBondContact O-N 2.95Å; A657-V659 PolarHBondContact O-N 3.32Å; A657-Q661 WeakPolarHBondContact O-CB 3.47Å; A657-Q661 WeakPolarHBondContact O-CG 3.24Å; A657-Q661 PolarHBondContact O-N 3.03Å
658L79.9Confident72.8Confident0 Ų037.7 Ų37.70%020%0.204CC..Hα-helixtrans-68.3-11172.6-83.3177.3000114.2V597 L601 F654 L655 N656 T662 W696 N699 L700V597-L658 HydrophobicContact CG1-CD2 4.03Å; V597-L658 HydrophobicContact CG1-CG 4.45Å; L601-L658 HydrophobicContact CD2-CD2 3.89Å; L601-L658 HydrophobicContact CG-CD2 4.35Å; F654-L658 HydrophobicContact CD1-CD1 4.39Å; F654-L658 HydrophobicContact CD2-CD1 4.21Å; F654-L658 HydrophobicContact CD2-CG 4.44Å; F654-L658 HydrophobicContact CE1-CD1 3.78Å; F654-L658 HydrophobicContact CE2-CD1 3.55Å; F654-L658 HydrophobicContact CE2-CG 4.03Å; F654-L658 HydrophobicContact CZ-CD1 3.32Å; F654-L658 HydrophobicContact CZ-CG 4.29Å; F654-L658 WeakPolarHBondContact O-CB 3.34Å; F654-L658 PolarHBondContact O-N 3.17Å; L655-L658 PolarHBondContact O-N 2.94Å; N656-L658 VanDerWaalsContact C-N 3.27Å; N656-L658 PolarHBondContact O-N 3.36Å; L658-T662 WeakPolarHBondContact O-CG2 3.4Å; L658-W696 PolarHBondContact O-NE1 3.35Å; L658-N699 HydrophobicContact CD2-CB 4.42Å; L658-L700 HydrophobicContact CD1-CD1 4.48Å
659V74.6Confident70.7Confident35 Ų3539.5 Ų39.521%0.21222%0.218CC..Hα-helixtrans-102.5-60175.1174.50000109.9L655 N656 A657 Q661 T662 L665 W696L655-V659 WeakPolarHBondContact O-CG2 3.32Å; L655-V659 PolarHBondContact O-N 3.36Å; N656-V659 CarbonylContact O-C 3.55Å; N656-V659 WeakPolarHBondContact O-CA 3.46Å; N656-V659 PolarHBondContact O-N 3Å; A657-V659 PolarHBondContact O-N 3.32Å; V659-Q661 VanDerWaalsContact C-N 3.29Å; V659-Q661 PolarHBondContact O-N 3.38Å; V659-T662 WeakPolarHBondContact O-CB 3.35Å; V659-T662 PolarHBondContact O-N 2.89Å; V659-T662 PolarHBondContact O-OG1 2.67Å; V659-L665 HydrophobicContact CB-CD1 4.47Å; V659-L665 HydrophobicContact CG1-CD1 4.45Å; V659-L665 HydrophobicContact CG2-CD1 3.91Å; V659-W696 HydrophobicContact CG2-CZ2 4.46Å
660D64.5Low68.9Low120 Ų12039 Ų3964%0.64221%0.214SC*.Hα-helixtrans-56.8-36.5-170.9-59.4-20.9000113.3N656N656-D660 WeakPolarHBondContact O-CB 3.36Å; N656-D660 PolarHBondContact O-N 2.86Å
661Q63.6Low67.1Low42 Ų4240.7 Ų40.720%0.19622%0.216CC..THydrogen-bonded Turntrans-80.9-13.4-179.1-64.2-164.6-8.500114E594 L601 A657 V659E594-Q661 PolarHBondContact O-NE2 3.41Å; E594-Q661 PolarHBondContact O-OE1 2.94Å; L601-Q661 HydrophobicContact CD1-CB 3.91Å; A657-Q661 WeakPolarHBondContact O-CB 3.47Å; A657-Q661 WeakPolarHBondContact O-CG 3.24Å; A657-Q661 PolarHBondContact O-N 3.03Å; V659-Q661 VanDerWaalsContact C-N 3.29Å; V659-Q661 PolarHBondContact O-N 3.38Å
662T61.7Low65.3Low3 Ų343.8 Ų43.82%0.01823%0.231CC..  trans-78.6147.6-174.669.40000112.4L601 L658 V659 L664 L665L601-T662 HydrophobicContact CD1-CG2 3.5Å; L601-T662 VanDerWaalsContact CD1-CG2 3.5Å; L601-T662 HydrophobicContact CD2-CG2 3.68Å; L601-T662 HydrophobicContact CG-CG2 4.11Å; L658-T662 WeakPolarHBondContact O-CG2 3.4Å; V659-T662 WeakPolarHBondContact O-CB 3.35Å; V659-T662 PolarHBondContact O-N 2.89Å; V659-T662 PolarHBondContact O-OG1 2.67Å; T662-L664 HydrophobicContact CG2-CB 4.19Å; T662-L665 WeakPolarHBondContact OG1-CB 3.4Å; T662-L665 PolarHBondContact OG1-N 3.49Å
663K61.2Low63.9Low50 Ų5043.1 Ų43.122%0.21722%0.223CC..SBendtrans-86-15.9146.1-69.8-164178.8-179.70112M469 E471 E605 R666M469-K663 HydrophobicContact CE-CD 3.9Å; M469-K663 HydrophobicContact SD-CD 3.8Å; M469-K663 PolarHBondContact SD-NZ 2.87Å; E471-K663 IonicContact OE1-NZ 2.67Å; E471-K663 PolarHBondContact OE1-NZ 3.46Å; E605-K663 WeakPolarHBondContact OE1-CB 3.42Å; E605-K663 PolarHBondContact OE1-N 2.57Å; K663-R666 PolarHBondContact O-N 3.35Å
664L61.3Low62.3Low3 Ų340 Ų402%0.01621%0.214CC..THydrogen-bonded Turntrans-56-47.8177.9-59.8-179.9000114L601 E605 I608 Y610 T662 A692 A695L601-L664 HydrophobicContact CD2-CD1 4.48Å; E605-L664 HydrophobicContact CG-CD1 4.09Å; E605-L664 HydrophobicContact CG-CD2 3.4Å; E605-L664 HydrophobicContact CG-CG 3.54Å; I608-L664 HydrophobicContact CD1-CD2 3.71Å; Y610-L664 HydrophobicContact CD2-CD2 4.15Å; Y610-L664 HydrophobicContact CE2-CD2 3.71Å; T662-L664 HydrophobicContact CG2-CB 4.19Å; L664-A692 HydrophobicContact CB-CB 3.9Å; L664-A692 HydrophobicContact CD2-CB 3.67Å; L664-A692 HydrophobicContact CG-CB 4.35Å; L664-A695 HydrophobicContact CD1-CB 4.45Å
665L60Low60.4Low5 Ų543.4 Ų43.43%0.02623%0.232CC..THydrogen-bonded Turntrans-104.49-178.3-58.1-177.7000113V659 T662 G667 I668 F670 L693 W696V659-L665 HydrophobicContact CB-CD1 4.47Å; V659-L665 HydrophobicContact CG1-CD1 4.45Å; V659-L665 HydrophobicContact CG2-CD1 3.91Å; T662-L665 WeakPolarHBondContact OG1-CB 3.4Å; T662-L665 PolarHBondContact OG1-N 3.49Å; L665-G667 PolarHBondContact O-N 3.07Å; L665-I668 HydrophobicContact CB-CB 4.44Å; L665-I668 HydrophobicContact CD2-CD1 3.99Å; L665-I668 CarbonylContact O-C 3.56Å; L665-I668 WeakPolarHBondContact O-CA 3.3Å; L665-I668 WeakPolarHBondContact O-CB 3.22Å; L665-I668 PolarHBondContact O-N 3.09Å; L665-F670 HydrophobicContact CD1-CE2 4.44Å; L665-F670 HydrophobicContact CD1-CZ 4.22Å; L665-L693 HydrophobicContact CD2-CD1 4.46Å; L665-W696 HydrophobicContact CD1-CB 4.48Å; L665-W696 VanDerWaalsContact CD1-CD1 3.45Å; L665-W696 HydrophobicContact CD1-CD2 4.02Å; L665-W696 HydrophobicContact CD1-CG 3.76Å; L665-W696 HydrophobicContact CG-CG 4.36Å
666R50.4Low58.8Low107 Ų10746.2 Ų46.240%0.40425%0.252SS..THydrogen-bonded Turntrans-80.2113.2-174.8-172.7164.1172.5176.7-5.1110.8P544 K663 I668P544-R666 VanDerWaalsContact CD-NH2 3.33Å; P544-R666 VanDerWaalsContact O-CZ 3.29Å; P544-R666 PolarHBondContact O-NH1 2.84Å; P544-R666 PolarHBondContact O-NH2 3.08Å; K663-R666 PolarHBondContact O-N 3.35Å; R666-I668 VanDerWaalsContact C-N 3.29Å
667G47.8Very low57.2Low44 Ų4446.4 Ų46.445%0.45425%0.252SS..THydrogen-bonded Turntrans77.418.6-162.300000112.9L665 K689L665-G667 PolarHBondContact O-N 3.07Å; G667-K689 PolarHBondContact O-NZ 3.16Å
668I50Low55.5Low4 Ų450.8 Ų50.82%0.02128%0.278CS..  trans-109.259.5147-49.5176.1000106.3L665 R666 F670 E673 K689 L872L665-I668 HydrophobicContact CB-CB 4.44Å; L665-I668 HydrophobicContact CD2-CD1 3.99Å; L665-I668 CarbonylContact O-C 3.56Å; L665-I668 WeakPolarHBondContact O-CA 3.3Å; L665-I668 WeakPolarHBondContact O-CB 3.22Å; L665-I668 PolarHBondContact O-N 3.09Å; R666-I668 VanDerWaalsContact C-N 3.29Å; I668-F670 HydrophobicContact CG2-CD1 4.14Å; I668-F670 HydrophobicContact CG2-CE1 4.1Å; I668-F670 PolarHBondContact O-N 3.12Å; I668-F670 VanDerWaalsContact O-N 3.11Å; I668-E673 WeakPolarHBondContact CA-OE2 3.37Å; I668-K689 HydrophobicContact CD1-CB 4.29Å; I668-K689 HydrophobicContact CD1-CD 4.09Å; I668-K689 HydrophobicContact CD1-CG 4.16Å; I668-K689 HydrophobicContact CG1-CD 4Å; I668-K689 HydrophobicContact CG1-CG 4.49Å; I668-L872 HydrophobicContact CD1-CD1 3.97Å; I668-L872 HydrophobicContact CD1-CD2 4.38Å; I668-L872 HydrophobicContact CG2-CD2 4.07Å
669C47.2Very low53.5Low68 Ų6854.6 Ų54.646%0.45931%0.305SS..  trans-66109.2161-67.60000104.7H671 D672C669-H671 CarbonylContact O-C 3.59Å; C669-H671 PolarHBondContact O-N 3.25Å; C669-D672 HydrophobicContact CB-CB 4.21Å; C669-D672 VanDerWaalsContact CB-OD2 3.3Å; C669-D672 WeakPolarHBondContact CB-OD2 3.43Å; C669-D672 PolarHBondContact O-N 3.2Å
670F52.8Low51.6Low21 Ų2161.8 Ų61.89%0.09234%0.336CS..Hα-helixtrans-54.6-14-171.5-67.6-72.8000114.7L665 I668 I858 I861 Q862L665-F670 HydrophobicContact CD1-CE2 4.44Å; L665-F670 HydrophobicContact CD1-CZ 4.22Å; I668-F670 HydrophobicContact CG2-CD1 4.14Å; I668-F670 HydrophobicContact CG2-CE1 4.1Å; I668-F670 PolarHBondContact O-N 3.12Å; I668-F670 VanDerWaalsContact O-N 3.11Å; F670-I858 HydrophobicContact CD2-CG1 4.2Å; F670-I858 HydrophobicContact CE1-CG2 4.33Å; F670-I858 HydrophobicContact CE2-CD1 4.43Å; F670-I858 HydrophobicContact CE2-CG1 3.97Å; F670-I858 HydrophobicContact CE2-CG2 4.05Å; F670-I858 HydrophobicContact CZ-CG2 3.83Å; F670-I861 HydrophobicContact CB-CB 4.38Å; F670-I861 HydrophobicContact CB-CD1 3.6Å; F670-I861 HydrophobicContact CB-CG2 4.01Å; F670-I861 HydrophobicContact CD1-CG2 4.16Å; F670-I861 WeakPolarHBondContact O-CG2 3.35Å; F670-Q862 HydrophobicContact CE1-CG 4.19Å
671H49.4Very low50.4Low108 Ų10861.2 Ų61.250%0.534%0.339SS..Hα-helixtrans-78.9-35.8170.1-158.6-20.8000114.3C669 L674 L675C669-H671 CarbonylContact O-C 3.59Å; C669-H671 PolarHBondContact O-N 3.25Å; H671-L674 WeakPolarHBondContact O-CB 3.44Å; H671-L674 PolarHBondContact O-N 2.78Å; H671-L675 WeakPolarHBondContact O-CG 3.4Å; H671-L675 PolarHBondContact O-N 3.49Å
672D48.9Very low49.2Very low92 Ų9266 Ų6649%0.49236%0.361SS..Hα-helixtrans-74.8-45.2-172.4-72.5-28.5000112.4C669 L674 L675 S676C669-D672 HydrophobicContact CB-CB 4.21Å; C669-D672 VanDerWaalsContact CB-OD2 3.3Å; C669-D672 WeakPolarHBondContact CB-OD2 3.43Å; C669-D672 PolarHBondContact O-N 3.2Å; D672-L674 PolarHBondContact O-N 3.44Å; D672-L675 PolarHBondContact O-N 2.86Å; D672-L675 VanDerWaalsContact O-N 3.15Å; D672-S676 PolarHBondContact O-N 3.35Å
673E52Low48.2Very low15 Ų1572.8 Ų72.87%0.0740%0.402CS..Hα-helixtrans-57.6-38.9169.8-85.383.8172.500111.6I668 L675 S676 L677 K689 L865 L872I668-E673 WeakPolarHBondContact CA-OE2 3.37Å; E673-L675 VanDerWaalsContact C-N 3.32Å; E673-L675 PolarHBondContact O-N 3.13Å; E673-S676 WeakPolarHBondContact CA-OG 3.22Å; E673-S676 WeakPolarHBondContact O-CA 3.26Å; E673-S676 WeakPolarHBondContact O-CB 3.45Å; E673-S676 PolarHBondContact O-N 3.49Å; E673-S676 PolarHBondContact O-OG 3.22Å; E673-L677 PolarHBondContact O-N 2.94Å; E673-L677 VanDerWaalsContact O-N 3.09Å; E673-K689 IonicContact OE1-NZ 2.61Å; E673-K689 PolarHBondContact OE1-NZ 3.35Å; E673-L865 HydrophobicContact CB-CD2 4.14Å; E673-L872 HydrophobicContact CG-CD2 4.09Å
674L48.7Very low47.4Very low50 Ų5077 Ų7726%0.26242%0.421SS..Hα-helixtrans-65-33.5177.7-118.7169.5000112.7H671 D672 L677 I861H671-L674 WeakPolarHBondContact O-CB 3.44Å; H671-L674 PolarHBondContact O-N 2.78Å; D672-L674 PolarHBondContact O-N 3.44Å; L674-L677 HydrophobicContact CD2-CD1 4.29Å; L674-I861 HydrophobicContact CD1-CB 4.28Å; L674-I861 HydrophobicContact CD1-CD1 4.04Å; L674-I861 HydrophobicContact CD1-CG1 3.71Å; L674-I861 HydrophobicContact CD1-CG2 3.8Å; L674-I861 HydrophobicContact CG-CG2 4.34Å
675L48.4Very low46.8Very low71 Ų7184.2 Ų84.237%0.37246%0.459SS..Hα-helixtrans-75.4-31170.7-69.4166.2000111.8H671 D672 E673 L677 V678 S679H671-L675 WeakPolarHBondContact O-CG 3.4Å; H671-L675 PolarHBondContact O-N 3.49Å; D672-L675 PolarHBondContact O-N 2.86Å; D672-L675 VanDerWaalsContact O-N 3.15Å; E673-L675 VanDerWaalsContact C-N 3.32Å; E673-L675 PolarHBondContact O-N 3.13Å; L675-L677 VanDerWaalsContact C-N 3.29Å; L675-L677 PolarHBondContact O-N 3.19Å; L675-V678 PolarHBondContact O-N 3.09Å; L675-S679 PolarHBondContact O-OG 3.38Å
676S52.3Low46.5Very low59 Ų5987.5 Ų87.541%0.41348%0.476SS..Hα-helixtrans-68-26.4176.684.70000113.1D672 E673 V678 S679D672-S676 PolarHBondContact O-N 3.35Å; E673-S676 WeakPolarHBondContact CA-OG 3.22Å; E673-S676 WeakPolarHBondContact O-CA 3.26Å; E673-S676 WeakPolarHBondContact O-CB 3.45Å; E673-S676 PolarHBondContact O-N 3.49Å; E673-S676 PolarHBondContact O-OG 3.22Å; S676-V678 PolarHBondContact O-N 2.9Å; S676-V678 VanDerWaalsContact O-N 3.09Å; S676-S679 PolarHBondContact O-N 3.15Å; S676-S679 VanDerWaalsContact O-O 3.07Å
677L47.3Very low47.1Very low69 Ų6989.1 Ų89.136%0.36149%0.493SS..THydrogen-bonded Turntrans-61-14169-67.4176.4000113.5E673 L674 L675 L865 Y868E673-L677 PolarHBondContact O-N 2.94Å; E673-L677 VanDerWaalsContact O-N 3.09Å; L674-L677 HydrophobicContact CD2-CD1 4.29Å; L675-L677 VanDerWaalsContact C-N 3.29Å; L675-L677 PolarHBondContact O-N 3.19Å; L677-L865 HydrophobicContact CD1-CD2 4.22Å; L677-Y868 HydrophobicContact CD1-CD2 4.05Å; L677-Y868 HydrophobicContact CD1-CG 4.33Å
678V44.1Very low48.1Very low101 Ų10191.8 Ų91.861%0.61249%0.489SS*.THydrogen-bonded Turntrans-109.31.1179.1-155.70000111.9L675 S676L675-V678 PolarHBondContact O-N 3.09Å; S676-V678 PolarHBondContact O-N 2.9Å; S676-V678 VanDerWaalsContact O-N 3.09Å
679S36.5Very low49.4Very low80 Ų8094.3 Ų94.356%0.55950%0.5SS*.SBendtrans-121.6161-175.9-55.40000111.2L675 S676L675-S679 PolarHBondContact O-OG 3.38Å; S676-S679 PolarHBondContact O-N 3.15Å; S676-S679 VanDerWaalsContact O-O 3.07Å
680E35.3Very low50.9Low185 Ų18592.1 Ų92.186%0.86449%0.485SS*.  trans-68.3137.5173.5-70.1-161.2140.300111.2E682E680-E682 PolarHBondContact O-N 2.78Å; E680-E682 VanDerWaalsContact O-N 3.12Å
681P39.9Very low52.2Low109 Ų10993.5 Ų93.571%0.70849%0.493SS*.  trans-78.9101.1-171.730.4-35.1000112V683P681-V683 PolarHBondContact O-N 2.84Å
682E37Very low53.7Low143 Ų14388.3 Ų88.367%0.66847%0.469SS*.  trans-56.2123.1158.3-71.9-171.1125.200109.5E680 K684E680-E682 PolarHBondContact O-N 2.78Å; E680-E682 VanDerWaalsContact O-N 3.12Å; E682-K684 VanDerWaalsContact C-N 3.26Å; E682-K684 HydrophobicContact CB-CD 4.47Å; E682-K684 HydrophobicContact CB-CG 4.43Å; E682-K684 PolarHBondContact O-N 2.89Å; E682-K684 WeakPolarHBondContact OE2-CE 3.39Å; E682-K684 IonicContact OE2-NZ 3.16Å; E682-K684 PolarHBondContact OE2-NZ 3.5Å
683V40.7Very low55.3Low144 Ų14484.1 Ų84.187%0.87345%0.446SS*.  trans-73.179.4-177.7-1740000110.5P681P681-V683 PolarHBondContact O-N 2.84Å
684K45.3Very low56.9Low140 Ų14085.6 Ų85.661%0.60945%0.453SS*.  trans-86.5126.7174.9-71.7165.7-178.1158.20109.2E682 L686E682-K684 VanDerWaalsContact C-N 3.26Å; E682-K684 HydrophobicContact CB-CD 4.47Å; E682-K684 HydrophobicContact CB-CG 4.43Å; E682-K684 PolarHBondContact O-N 2.89Å; E682-K684 WeakPolarHBondContact OE2-CE 3.39Å; E682-K684 IonicContact OE2-NZ 3.16Å; E682-K684 PolarHBondContact OE2-NZ 3.5Å; K684-L686 PolarHBondContact O-N 2.74Å
685N48.2Very low58.6Low153 Ų15383.6 Ų83.682%0.81844%0.444SS*.  trans-50.4105.4-175.9-71.1-19.6000112.3
686L54.3Low60.5Low75 Ų7580.2 Ų80.239%0.39343%0.426SS..  trans-91.3-16.4-168.4-102.5153.6000113.7K684 R688 K689 P690 P871K684-L686 PolarHBondContact O-N 2.74Å; L686-R688 PolarHBondContact O-N 3Å; L686-K689 HydrophobicContact CD2-CB 4.26Å; L686-K689 HydrophobicContact CD2-CD 4.23Å; L686-K689 PolarHBondContact O-N 2.92Å; L686-P690 VanDerWaalsContact O-CD 3.22Å; L686-P690 WeakPolarHBondContact O-CD 3.4Å; L686-P871 HydrophobicContact CD1-CG 4.41Å
687D62.5Low62.3Low140 Ų14077.4 Ų77.475%0.74941%0.406SS*.THydrogen-bonded Turntrans-43.3-21.5-166.6-587000117.7
688R69.9Low64.4Low100 Ų10074.8 Ų74.838%0.37739%0.393SS..THydrogen-bonded Turntrans-120.2-16.9-177.8-60.3-174.5-176.6-169.1-2.7115I608 G609 Y610 L686 I691 A692I608-R688 HydrophobicContact CG2-CB 4.37Å; G609-R688 PolarHBondContact O-NH1 3.47Å; Y610-R688 HydrophobicContact CE2-CB 4.49Å; L686-R688 PolarHBondContact O-N 3Å; R688-I691 PolarHBondContact O-N 2.85Å; R688-A692 VanDerWaalsContact O-CB 3.31Å; R688-A692 WeakPolarHBondContact O-CB 3.4Å; R688-A692 PolarHBondContact O-N 2.83Å
689K76Confident66.6Low58 Ų5870 Ų7025%0.25236%0.364SS..Hα-helixtrans-60.3-43.5-178.7-79.6-167161.5-170.10113.7G667 I668 E673 L686 I691 A692 L693 L872G667-K689 PolarHBondContact O-NZ 3.16Å; I668-K689 HydrophobicContact CD1-CB 4.29Å; I668-K689 HydrophobicContact CD1-CD 4.09Å; I668-K689 HydrophobicContact CD1-CG 4.16Å; I668-K689 HydrophobicContact CG1-CD 4Å; I668-K689 HydrophobicContact CG1-CG 4.49Å; E673-K689 IonicContact OE1-NZ 2.61Å; E673-K689 PolarHBondContact OE1-NZ 3.35Å; L686-K689 HydrophobicContact CD2-CB 4.26Å; L686-K689 HydrophobicContact CD2-CD 4.23Å; L686-K689 PolarHBondContact O-N 2.92Å; K689-I691 VanDerWaalsContact C-N 3.34Å; K689-I691 PolarHBondContact O-N 3.04Å; K689-A692 WeakPolarHBondContact O-CB 3.41Å; K689-A692 PolarHBondContact O-N 3.28Å; K689-L693 PolarHBondContact O-N 3.01Å; K689-L872 HydrophobicContact CB-CD1 3.6Å; K689-L872 HydrophobicContact CD-CD1 4.46Å
690P79.9Confident69.3Low21 Ų2166.2 Ų66.214%0.13634%0.338CS..Hα-helixtrans-65.1-39.1179.4-16.627.4000112.4L686 A692 L693 Q694 P871 L872 T874L686-P690 VanDerWaalsContact O-CD 3.22Å; L686-P690 WeakPolarHBondContact O-CD 3.4Å; P690-A692 VanDerWaalsContact C-N 3.33Å; P690-L693 PolarHBondContact O-N 3.3Å; P690-Q694 PolarHBondContact O-N 2.85Å; P690-P871 VanDerWaalsContact CG-O 3.31Å; P690-P871 WeakPolarHBondContact CG-O 3.35Å; P690-L872 WeakPolarHBondContact CA-O 3.46Å; P690-T874 HydrophobicContact CB-CG2 3.7Å
691I80Confident72.1Confident50 Ų5057.4 Ų57.426%0.25630%0.297SS..Hα-helixtrans-66.7-36175.7-72.3171.5000111.3I608 R688 K689 Q694 A695I608-I691 HydrophobicContact CB-CG2 4.26Å; I608-I691 HydrophobicContact CD1-CG2 3.91Å; I608-I691 HydrophobicContact CG1-CG2 3.59Å; I608-I691 HydrophobicContact CG2-CG2 3.77Å; R688-I691 PolarHBondContact O-N 2.85Å; K689-I691 VanDerWaalsContact C-N 3.34Å; K689-I691 PolarHBondContact O-N 3.04Å; I691-Q694 PolarHBondContact O-N 3.3Å; I691-A695 PolarHBondContact O-N 2.84Å; I691-A695 VanDerWaalsContact O-N 3.08Å
692A79.7Confident74.7Confident0 Ų052.3 Ų52.30%026%0.263CS..Hα-helixtrans-65.9-42.1175.500000112.2L664 R688 K689 P690 A695 W696L664-A692 HydrophobicContact CB-CB 3.9Å; L664-A692 HydrophobicContact CD2-CB 3.67Å; L664-A692 HydrophobicContact CG-CB 4.35Å; R688-A692 VanDerWaalsContact O-CB 3.31Å; R688-A692 WeakPolarHBondContact O-CB 3.4Å; R688-A692 PolarHBondContact O-N 2.83Å; K689-A692 WeakPolarHBondContact O-CB 3.41Å; K689-A692 PolarHBondContact O-N 3.28Å; P690-A692 VanDerWaalsContact C-N 3.33Å; A692-A695 PolarHBondContact O-N 3.48Å; A692-W696 PolarHBondContact O-N 3.1Å
693L83.8Confident77.5Confident3 Ų345.5 Ų45.52%0.01623%0.232CC..Hα-helixtrans-62.5-46.1172.4175.959.8000112L665 K689 P690 A695 W696 L697 Q862 L872 V873L665-L693 HydrophobicContact CD2-CD1 4.46Å; K689-L693 PolarHBondContact O-N 3.01Å; P690-L693 PolarHBondContact O-N 3.3Å; L693-A695 VanDerWaalsContact C-N 3.27Å; L693-A695 PolarHBondContact O-N 2.92Å; L693-W696 HydrophobicContact CD1-CE3 4.47Å; L693-W696 WeakPolarHBondContact O-CB 3.34Å; L693-W696 PolarHBondContact O-N 3.07Å; L693-W696 VanDerWaalsContact O-N 3.12Å; L693-L697 HydrophobicContact CD1-CD1 4.42Å; L693-L697 HydrophobicContact CD1-CG 4.43Å; L693-L697 HydrophobicContact CG-CD1 4.3Å; L693-L697 PolarHBondContact O-N 3.03Å; L693-Q862 HydrophobicContact CD1-CG 4.49Å; L693-Q862 HydrophobicContact CD2-CG 4.43Å; L693-L872 HydrophobicContact CD2-CG 4.37Å; L693-V873 HydrophobicContact CD2-CG2 3.89Å
694Q84.9Confident80Confident47 Ų4738.7 Ų38.722%0.2219%0.19CC..Hα-helixtrans-57.3-41176.9-169.2-172.323.100111.9P690 I691 L697 T698 M880P690-Q694 PolarHBondContact O-N 2.85Å; I691-Q694 PolarHBondContact O-N 3.3Å; Q694-L697 PolarHBondContact O-N 3.48Å; Q694-T698 WeakPolarHBondContact O-CB 3.43Å; Q694-T698 PolarHBondContact O-N 2.77Å; Q694-T698 PolarHBondContact O-OG1 3.33Å; Q694-M880 HydrophobicContact CG-SD 4.4Å
695A85.5Confident82.3Confident7 Ų732.3 Ų32.36%0.05816%0.163CC..Hα-helixtrans-69.7-34.4176.700000113.4H604 I608 L664 I691 A692 L693 T698 N699H604-A695 HydrophobicContact CB-CB 3.94Å; I608-A695 HydrophobicContact CD1-CB 3.67Å; L664-A695 HydrophobicContact CD1-CB 4.45Å; I691-A695 PolarHBondContact O-N 2.84Å; I691-A695 VanDerWaalsContact O-N 3.08Å; A692-A695 PolarHBondContact O-N 3.48Å; L693-A695 VanDerWaalsContact C-N 3.27Å; L693-A695 PolarHBondContact O-N 2.92Å; A695-T698 WeakPolarHBondContact O-CB 3.33Å; A695-T698 PolarHBondContact O-N 3.02Å; A695-N699 PolarHBondContact O-N 3.4Å; A695-N699 PolarHBondContact O-ND2 3.11Å
696W88Confident84.5Confident0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-62.5-46.6171.5-177.788.3000111.4L658 V659 L665 A692 L693 T698 N699 L700 L855 I858L658-W696 PolarHBondContact O-NE1 3.35Å; V659-W696 HydrophobicContact CG2-CZ2 4.46Å; L665-W696 HydrophobicContact CD1-CB 4.48Å; L665-W696 VanDerWaalsContact CD1-CD1 3.45Å; L665-W696 HydrophobicContact CD1-CD2 4.02Å; L665-W696 HydrophobicContact CD1-CG 3.76Å; L665-W696 HydrophobicContact CG-CG 4.36Å; A692-W696 PolarHBondContact O-N 3.1Å; L693-W696 HydrophobicContact CD1-CE3 4.47Å; L693-W696 WeakPolarHBondContact O-CB 3.34Å; L693-W696 PolarHBondContact O-N 3.07Å; L693-W696 VanDerWaalsContact O-N 3.12Å; W696-T698 VanDerWaalsContact C-N 3.28Å; W696-T698 PolarHBondContact O-N 3.02Å; W696-N699 PolarHBondContact O-N 2.79Å; W696-L700 HydrophobicContact CH2-CD2 3.98Å; W696-L700 HydrophobicContact CZ3-CD2 4.04Å; W696-L700 PolarHBondContact O-N 3.43Å; W696-L855 HydrophobicContact CH2-CD1 4.42Å; W696-I858 HydrophobicContact CH2-CD1 4.18Å; W696-I858 HydrophobicContact CH2-CG2 3.83Å; W696-I858 HydrophobicContact CZ2-CD1 4.34Å; W696-I858 HydrophobicContact CZ3-CG2 4.03Å
697L90.4Very high86.3Confident1 Ų121.7 Ų21.71%0.00511%0.106CC..Hα-helixtrans-60.1-37.2173.4-70.1168.7000112L693 Q694 L700 C701 M880 I881 L884L693-L697 HydrophobicContact CD1-CD1 4.42Å; L693-L697 HydrophobicContact CD1-CG 4.43Å; L693-L697 HydrophobicContact CG-CD1 4.3Å; L693-L697 PolarHBondContact O-N 3.03Å; Q694-L697 PolarHBondContact O-N 3.48Å; L697-L700 PolarHBondContact O-N 3.38Å; L697-C701 WeakPolarHBondContact O-CB 3.5Å; L697-C701 PolarHBondContact O-N 2.87Å; L697-C701 PolarHBondContact O-SG 3.31Å; L697-M880 HydrophobicContact CB-CB 4.35Å; L697-M880 HydrophobicContact CB-CE 4.06Å; L697-M880 HydrophobicContact CB-SD 4.19Å; L697-M880 HydrophobicContact CD1-CB 4.43Å; L697-I881 HydrophobicContact CD1-CD1 4.45Å; L697-I881 HydrophobicContact CD1-CG1 4.15Å; L697-I881 HydrophobicContact CD2-CG1 4.23Å; L697-L884 HydrophobicContact CD2-CD1 4.13Å
698T90.9Very high87.6Confident14 Ų1415.6 Ų15.69%0.0867%0.073CC..Hα-helixtrans-63.3-45.8175.7-56.90000111.9Q694 A695 W696 L700 C701 F702Q694-T698 WeakPolarHBondContact O-CB 3.43Å; Q694-T698 PolarHBondContact O-N 2.77Å; Q694-T698 PolarHBondContact O-OG1 3.33Å; A695-T698 WeakPolarHBondContact O-CB 3.33Å; A695-T698 PolarHBondContact O-N 3.02Å; W696-T698 VanDerWaalsContact C-N 3.28Å; W696-T698 PolarHBondContact O-N 3.02Å; T698-L700 VanDerWaalsContact C-N 3.33Å; T698-L700 PolarHBondContact O-N 3.19Å; T698-C701 PolarHBondContact O-N 3.22Å; T698-F702 HydrophobicContact CG2-CD1 4.1Å; T698-F702 HydrophobicContact CG2-CD2 4.41Å; T698-F702 HydrophobicContact CG2-CE1 3.53Å; T698-F702 HydrophobicContact CG2-CE2 3.9Å; T698-F702 HydrophobicContact CG2-CZ 3.42Å; T698-F702 VanDerWaalsContact CG2-CZ 3.42Å; T698-F702 WeakPolarHBondContact O-CD1 3.23Å; T698-F702 VanDerWaalsContact O-CG 3.32Å; T698-F702 WeakPolarHBondContact O-CG 3.37Å; T698-F702 PolarHBondContact O-N 2.66Å
699N90.9Very high88.5Confident0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-62.2-39.5175.5-73.6-51000112.6L600 H604 L658 A695 W696 F702 V703L600-N699 HydrophobicContact CD2-CB 4.04Å; L600-N699 VanDerWaalsContact CD2-OD1 3.28Å; L600-N699 WeakPolarHBondContact CD2-OD1 3.19Å; L600-N699 VanDerWaalsContact CG-OD1 3.24Å; L600-N699 WeakPolarHBondContact CG-OD1 3.43Å; L600-N699 PolarHBondContact O-OD1 2.79Å; H604-N699 PolarHBondContact CE1-OD1 3Å; H604-N699 PolarHBondContact ND1-ND2 2.87Å; H604-N699 VanDerWaalsContact ND1-ND2 3.19Å; H604-N699 PolarHBondContact ND1-OD1 3.23Å; L658-N699 HydrophobicContact CD2-CB 4.42Å; A695-N699 PolarHBondContact O-N 3.4Å; A695-N699 PolarHBondContact O-ND2 3.11Å; W696-N699 PolarHBondContact O-N 2.79Å; N699-F702 PolarHBondContact O-N 3.27Å; N699-V703 PolarHBondContact O-N 2.84Å; N699-V703 VanDerWaalsContact O-N 3.16Å
700L92.7Very high89.2Confident0 Ų08.2 Ų8.20%04%0.044CC..Hα-helixtrans-63.4-44.5174.4-176.359.8000111.6F654 L655 L658 W696 L697 T698 V703 L704 V849 L855 L884F654-L700 HydrophobicContact CE1-CD1 3.72Å; F654-L700 HydrophobicContact CZ-CD1 4.25Å; L655-L700 HydrophobicContact CD2-CD1 4.23Å; L658-L700 HydrophobicContact CD1-CD1 4.48Å; W696-L700 HydrophobicContact CH2-CD2 3.98Å; W696-L700 HydrophobicContact CZ3-CD2 4.04Å; W696-L700 PolarHBondContact O-N 3.43Å; L697-L700 PolarHBondContact O-N 3.38Å; T698-L700 VanDerWaalsContact C-N 3.33Å; T698-L700 PolarHBondContact O-N 3.19Å; L700-V703 PolarHBondContact O-N 2.78Å; L700-L704 HydrophobicContact CD1-CD1 3.72Å; L700-L704 HydrophobicContact CD1-CG 4.1Å; L700-L704 HydrophobicContact CG-CD1 3.97Å; L700-L704 WeakPolarHBondContact O-CB 3.35Å; L700-L704 WeakPolarHBondContact O-CG 3.45Å; L700-L704 PolarHBondContact O-N 3.48Å; L700-V849 HydrophobicContact CD1-CG1 4.37Å; L700-L855 HydrophobicContact CD2-CD1 3.75Å; L700-L884 HydrophobicContact CD2-CD1 3.85Å
701C94.2Very high89.1Confident1 Ų19.4 Ų9.41%0.0076%0.06CC..Hα-helixtrans-66.9-37.2176.7-63.80000112.6L697 T698 V703 L704 D705 I794 M880L697-C701 WeakPolarHBondContact O-CB 3.5Å; L697-C701 PolarHBondContact O-N 2.87Å; L697-C701 PolarHBondContact O-SG 3.31Å; T698-C701 PolarHBondContact O-N 3.22Å; C701-V703 VanDerWaalsContact C-N 3.34Å; C701-V703 PolarHBondContact O-N 2.98Å; C701-L704 PolarHBondContact O-N 3.45Å; C701-D705 WeakPolarHBondContact O-CB 3.46Å; C701-D705 PolarHBondContact O-N 3.42Å; C701-I794 HydrophobicContact CB-CD1 4.1Å; C701-I794 HydrophobicContact CB-CG1 4.4Å; C701-I794 HydrophobicContact CB-CG2 4.13Å; C701-M880 HydrophobicContact CB-CE 4.26Å
702F94.3Very high89.5Confident1 Ų18.3 Ų8.30%0.0046%0.055CC..Hα-helixtrans-57.5-46.7173.4-73.5-6.1000111.2H604 I639 T698 N699 L706 I794 L797 L798H604-F702 AromaticContact CE1-CE2 3.84Å; I639-F702 HydrophobicContact CD1-CB 4.26Å; I639-F702 HydrophobicContact CD1-CD2 4.4Å; T698-F702 HydrophobicContact CG2-CD1 4.1Å; T698-F702 HydrophobicContact CG2-CD2 4.41Å; T698-F702 HydrophobicContact CG2-CE1 3.53Å; T698-F702 HydrophobicContact CG2-CE2 3.9Å; T698-F702 HydrophobicContact CG2-CZ 3.42Å; T698-F702 VanDerWaalsContact CG2-CZ 3.42Å; T698-F702 WeakPolarHBondContact O-CD1 3.23Å; T698-F702 VanDerWaalsContact O-CG 3.32Å; T698-F702 WeakPolarHBondContact O-CG 3.37Å; T698-F702 PolarHBondContact O-N 2.66Å; N699-F702 PolarHBondContact O-N 3.27Å; F702-L706 HydrophobicContact CB-CD1 3.87Å; F702-L706 HydrophobicContact CD1-CD1 4.05Å; F702-L706 HydrophobicContact CG-CD1 4.09Å; F702-L706 VanDerWaalsContact O-CB 3.3Å; F702-L706 WeakPolarHBondContact O-CB 3.47Å; F702-L706 WeakPolarHBondContact O-CD1 3.46Å; F702-L706 WeakPolarHBondContact O-CG 3.27Å; F702-L706 PolarHBondContact O-N 2.95Å; F702-I794 HydrophobicContact CD1-CG2 3.75Å; F702-I794 HydrophobicContact CE1-CG2 4.18Å; F702-I794 WeakPolarHBondContact CE1-O 3.44Å; F702-L797 HydrophobicContact CE1-CB 4.19Å; F702-L797 HydrophobicContact CZ-CB 4.33Å; F702-L798 HydrophobicContact CD1-CB 4.48Å; F702-L798 HydrophobicContact CD2-CD1 4.1Å; F702-L798 HydrophobicContact CE1-CB 3.88Å; F702-L798 HydrophobicContact CE2-CB 4.36Å; F702-L798 HydrophobicContact CE2-CD1 3.75Å; F702-L798 HydrophobicContact CZ-CB 3.81Å; F702-L798 HydrophobicContact CZ-CD1 4.07Å
703V95.1Very high89.7Confident1 Ų111.9 Ų11.91%0.0068%0.077CC..Hα-helixtrans-69.9-41.5178.5175.20000111.8L600 L642 Q643 F654 N699 L700 C701 L846L600-V703 HydrophobicContact CD2-CG2 4.47Å; L642-V703 HydrophobicContact CD2-CG2 3.56Å; L642-V703 HydrophobicContact CG-CG2 3.84Å; Q643-V703 HydrophobicContact CG-CG1 4.09Å; Q643-V703 WeakPolarHBondContact CG-O 3.36Å; Q643-V703 PolarHBondContact NE2-O 3.45Å; F654-V703 HydrophobicContact CE1-CG1 4.25Å; F654-V703 HydrophobicContact CE2-CB 4.43Å; F654-V703 HydrophobicContact CE2-CG1 4.04Å; F654-V703 HydrophobicContact CE2-CG2 4.16Å; F654-V703 HydrophobicContact CZ-CB 3.81Å; F654-V703 HydrophobicContact CZ-CG1 3.57Å; F654-V703 HydrophobicContact CZ-CG2 3.95Å; N699-V703 PolarHBondContact O-N 2.84Å; N699-V703 VanDerWaalsContact O-N 3.16Å; L700-V703 PolarHBondContact O-N 2.78Å; C701-V703 VanDerWaalsContact C-N 3.34Å; C701-V703 PolarHBondContact O-N 2.98Å; V703-L846 HydrophobicContact CG1-CD1 3.86Å
704L93.9Very high89.5Confident1 Ų115.1 Ų15.11%0.0059%0.092CC..Hα-helixtrans-83.2-31.8-173.2-64-177.6000115.1L700 C701 R707 L846 V849 L850 L884L700-L704 HydrophobicContact CD1-CD1 3.72Å; L700-L704 HydrophobicContact CD1-CG 4.1Å; L700-L704 HydrophobicContact CG-CD1 3.97Å; L700-L704 WeakPolarHBondContact O-CB 3.35Å; L700-L704 WeakPolarHBondContact O-CG 3.45Å; L700-L704 PolarHBondContact O-N 3.48Å; C701-L704 PolarHBondContact O-N 3.45Å; L704-R707 VanDerWaalsContact O-CZ 3.29Å; L704-R707 PolarHBondContact O-NH1 2.98Å; L704-R707 PolarHBondContact O-NH2 3.27Å; L704-L846 HydrophobicContact CD2-CD1 4Å; L704-L846 HydrophobicContact CD2-CG 4.06Å; L704-V849 HydrophobicContact CD1-CG1 4.3Å; L704-V849 HydrophobicContact CD2-CB 3.96Å; L704-V849 HydrophobicContact CD2-CG1 4.35Å; L704-V849 HydrophobicContact CD2-CG2 4.18Å; L704-L850 HydrophobicContact CD1-CD2 3.85Å; L704-L850 HydrophobicContact CD1-CG 4.32Å; L704-L884 HydrophobicContact CD1-CD2 4.05Å
705D93.2Very high89.5Confident5 Ų515.9 Ų15.93%0.02710%0.095CC..Hα-helixtrans-111.4-21.7-170.5-63.7-50.4000115.3C701 R707 I794 P836 H883 R887C701-D705 WeakPolarHBondContact O-CB 3.46Å; C701-D705 PolarHBondContact O-N 3.42Å; D705-R707 VanDerWaalsContact C-NH1 3.3Å; D705-R707 PolarHBondContact O-NH1 3.49Å; D705-I794 HydrophobicContact CB-CD1 4.11Å; D705-P836 HydrophobicContact CB-CB 4.3Å; D705-P836 HydrophobicContact CB-CG 4.26Å; D705-P836 WeakPolarHBondContact O-CB 3.41Å; D705-P836 WeakPolarHBondContact OD1-CG 3.17Å; D705-H883 IonicContact OD1-NE2 3.66Å; D705-H883 IonicContact OD2-CD2 2.84Å; D705-H883 IonicContact OD2-CE1 3.61Å; D705-H883 IonicContact OD2-NE2 3.72Å; D705-H883 PolarHBondContact OD2-NE2 3.34Å; D705-R887 WeakPolarHBondContact OD1-CD 3.31Å; D705-R887 IonicContact OD1-NE 2.79Å; D705-R887 PolarHBondContact OD1-NE 3.39Å
706L93.6Very high89.6Confident2 Ų218.7 Ų18.71%0.0111%0.107CC..  trans-70.6143.5177.8-62.5173.5000111.8I639 Q643 F702 I794 F795 L798I639-L706 HydrophobicContact CD1-CD1 4.04Å; Q643-L706 PolarHBondContact NE2-O 2.87Å; F702-L706 HydrophobicContact CB-CD1 3.87Å; F702-L706 HydrophobicContact CD1-CD1 4.05Å; F702-L706 HydrophobicContact CG-CD1 4.09Å; F702-L706 VanDerWaalsContact O-CB 3.3Å; F702-L706 WeakPolarHBondContact O-CB 3.47Å; F702-L706 WeakPolarHBondContact O-CD1 3.46Å; F702-L706 WeakPolarHBondContact O-CG 3.27Å; F702-L706 PolarHBondContact O-N 2.95Å; L706-I794 HydrophobicContact CD2-CG2 4.2Å; L706-I794 HydrophobicContact CG-CG2 4.41Å; L706-F795 HydrophobicContact CD2-CB 4.14Å; L706-F795 HydrophobicContact CD2-CD2 4.14Å; L706-L798 HydrophobicContact CD1-CD2 3.52Å
707R92.4Very high89.6Confident4 Ų419.2 Ų19.22%0.01511%0.11CC..  trans-128.813.6-174.2-62.2-67.1176-92.81.3113.6L704 D705 N709 L710 L712 P836 K837L704-R707 VanDerWaalsContact O-CZ 3.29Å; L704-R707 PolarHBondContact O-NH1 2.98Å; L704-R707 PolarHBondContact O-NH2 3.27Å; D705-R707 VanDerWaalsContact C-NH1 3.3Å; D705-R707 PolarHBondContact O-NH1 3.49Å; R707-N709 VanDerWaalsContact C-N 3.29Å; R707-N709 PolarHBondContact O-N 3.25Å; R707-L710 CarbonylContact O-C 3.6Å; R707-L710 PolarHBondContact O-N 2.68Å; R707-L712 HydrophobicContact CB-CD1 4.04Å; R707-L712 HydrophobicContact CB-CG 3.94Å; R707-L712 PolarHBondContact O-N 3.13Å; R707-P836 HydrophobicContact CG-CB 4.15Å; R707-K837 HydrophobicContact CG-CB 4.36Å; R707-K837 PolarHBondContact NE-O 2.91Å
708N89.8Confident89.5Confident11 Ų1119.3 Ų19.36%0.05911%0.111CC..THydrogen-bonded Turntrans-55.5-41.9-169.6-53.613.4000112.4D636 L717 F795 R799D636-N708 PolarHBondContact OD2-ND2 3.22Å; N708-L717 HydrophobicContact CB-CD1 3.94Å; N708-F795 WeakPolarHBondContact ND2-CE2 3.46Å; N708-R799 PolarHBondContact ND2-NH2 2.74Å
709N90.2Very high89.5Confident3 Ų320.9 Ų20.92%0.01612%0.117CC..THydrogen-bonded Turntrans-110.115.6174.2-69.8-53.1000112.6H564 D636 F640 R707 R743H564-N709 PolarHBondContact ND1-O 2.9Å; D636-N709 PolarHBondContact O-ND2 3Å; F640-N709 HydrophobicContact CB-CB 3.91Å; F640-N709 HydrophobicContact CD2-CB 3.47Å; F640-N709 VanDerWaalsContact CD2-CB 3.47Å; F640-N709 HydrophobicContact CE2-CB 4.22Å; F640-N709 VanDerWaalsContact CE2-O 3.32Å; F640-N709 WeakPolarHBondContact CE2-O 3.49Å; F640-N709 HydrophobicContact CG-CB 3.84Å; R707-N709 VanDerWaalsContact C-N 3.29Å; R707-N709 PolarHBondContact O-N 3.25Å; N709-R743 PolarHBondContact OD1-NH1 3.26Å
710L90.4Very high89.5Confident0 Ų022.8 Ų22.80%013%0.125CC..THydrogen-bonded Turntrans-130.657.2-176.8-71.7178.5000112.5M568 F640 Q643 R707 L839 F843 L846M568-L710 HydrophobicContact SD-CD2 4.31Å; F640-L710 HydrophobicContact CD2-CD2 4.11Å; F640-L710 HydrophobicContact CD2-CG 4.1Å; F640-L710 HydrophobicContact CE2-CD2 3.63Å; F640-L710 HydrophobicContact CE2-CG 4.13Å; Q643-L710 HydrophobicContact CB-CD1 4.14Å; Q643-L710 HydrophobicContact CG-CD1 4.29Å; R707-L710 CarbonylContact O-C 3.6Å; R707-L710 PolarHBondContact O-N 2.68Å; L710-L839 HydrophobicContact CD1-CD2 3.91Å; L710-F843 HydrophobicContact CD1-CD1 4.22Å; L710-F843 HydrophobicContact CD2-CB 4.2Å; L710-F843 HydrophobicContact CD2-CD1 3.48Å; L710-F843 VanDerWaalsContact CD2-CD1 3.48Å; L710-F843 HydrophobicContact CD2-CD2 3.73Å; L710-F843 HydrophobicContact CD2-CE1 3.65Å; L710-F843 HydrophobicContact CD2-CE2 3.91Å; L710-F843 HydrophobicContact CD2-CG 3.51Å; L710-F843 HydrophobicContact CD2-CZ 3.86Å; L710-L846 HydrophobicContact CD1-CD2 4.32Å
711G78.2Confident89.3Confident46 Ų4622.8 Ų22.847%0.47413%0.125SC..THydrogen-bonded Turntrans92.216.2168.300000116.8
712L86.6Confident89.1Confident27 Ų2722.7 Ų22.714%0.14113%0.125CC..  trans-80.9142.7154-70.5172.6000109.5R707 E716 L717 K720 K837R707-L712 HydrophobicContact CB-CD1 4.04Å; R707-L712 HydrophobicContact CB-CG 3.94Å; R707-L712 PolarHBondContact O-N 3.13Å; L712-E716 HydrophobicContact CD2-CB 4.1Å; L712-L717 HydrophobicContact CB-CB 4.46Å; L712-L717 HydrophobicContact CD1-CD1 4.1Å; L712-K720 HydrophobicContact CD1-CD 4.27Å; L712-K837 HydrophobicContact CD2-CD 3.89Å
713T85Confident89.1Confident76 Ų7622.8 Ų22.847%0.46613%0.125SC..  trans-79.9162.816872.70000110.7E715 E716 L717T713-E715 PolarHBondContact O-N 2.95Å; T713-E716 PolarHBondContact N-OE2 2.78Å; T713-E716 PolarHBondContact O-N 3.09Å; T713-E716 WeakPolarHBondContact OG1-CG 3.18Å; T713-E716 PolarHBondContact OG1-N 2.95Å; T713-L717 WeakPolarHBondContact O-CB 3.43Å; T713-L717 PolarHBondContact O-N 3.41Å
714E79.4Confident88.9Confident71 Ų7123 Ų2333%0.33213%0.127SC..Hα-helixtrans-56.5-35.4175.4-69.2174.7-176.600112.6R505 L718R505-E714 IonicContact CZ-OE1 3.02Å; R505-E714 IonicContact NH1-OE1 2.77Å; R505-E714 PolarHBondContact NH1-OE1 2.67Å; R505-E714 IonicContact NH1-OE2 3.47Å; R505-E714 IonicContact NH2-OE1 2.69Å; R505-E714 PolarHBondContact NH2-OE1 2.79Å; E714-L718 VanDerWaalsContact O-CB 3.23Å; E714-L718 WeakPolarHBondContact O-CB 3.16Å; E714-L718 PolarHBondContact O-N 2.94Å
715E84.7Confident88.7Confident62 Ų6223.9 Ų23.929%0.2913%0.132SC..Hα-helixtrans-70.9-44.4178.7-162.5-172171.200112.1T713 L717 L718 Q719 V756 K759T713-E715 PolarHBondContact O-N 2.95Å; E715-L717 VanDerWaalsContact C-N 3.29Å; E715-L717 PolarHBondContact O-N 3.47Å; E715-L718 PolarHBondContact O-N 2.76Å; E715-Q719 WeakPolarHBondContact O-CB 3.48Å; E715-Q719 PolarHBondContact O-N 3.08Å; E715-V756 HydrophobicContact CG-CG2 3.39Å; E715-K759 IonicContact OE1-NZ 2.76Å; E715-K759 PolarHBondContact OE1-NZ 3.42Å
716E88.5Confident88.7Confident66 Ų6623.8 Ų23.831%0.30813%0.132SC..Hα-helixtrans-66.9-33.7177-66.6174.9145.300112.3L712 T713 Q719 K720 K837L712-E716 HydrophobicContact CD2-CB 4.1Å; T713-E716 PolarHBondContact N-OE2 2.78Å; T713-E716 PolarHBondContact O-N 3.09Å; T713-E716 WeakPolarHBondContact OG1-CG 3.18Å; T713-E716 PolarHBondContact OG1-N 2.95Å; E716-Q719 WeakPolarHBondContact O-CB 3.41Å; E716-Q719 PolarHBondContact O-N 3.48Å; E716-K720 PolarHBondContact O-N 3.47Å; E716-K837 IonicContact OE1-NZ 2.63Å; E716-K837 PolarHBondContact OE1-NZ 3.17Å; E716-K837 IonicContact OE2-NZ 3.73Å; E716-K837 PolarHBondContact OE2-NZ 3.09Å
717L88.1Confident88.7Confident12 Ų1223.7 Ų23.76%0.06313%0.131CC..Hα-helixtrans-71-44.5177.2-172.857.6000110.7Y632 N708 L712 T713 E715 Q719 K720 E721 F795Y632-L717 HydrophobicContact CE1-CD1 4.41Å; Y632-L717 HydrophobicContact CE1-CD2 3.71Å; Y632-L717 HydrophobicContact CE1-CG 4.26Å; Y632-L717 WeakPolarHBondContact OH-CD1 3.41Å; Y632-L717 WeakPolarHBondContact OH-CG 3.45Å; N708-L717 HydrophobicContact CB-CD1 3.94Å; L712-L717 HydrophobicContact CB-CB 4.46Å; L712-L717 HydrophobicContact CD1-CD1 4.1Å; T713-L717 WeakPolarHBondContact O-CB 3.43Å; T713-L717 PolarHBondContact O-N 3.41Å; E715-L717 VanDerWaalsContact C-N 3.29Å; E715-L717 PolarHBondContact O-N 3.47Å; L717-Q719 VanDerWaalsContact C-N 3.31Å; L717-Q719 PolarHBondContact O-N 3.03Å; L717-K720 WeakPolarHBondContact O-CB 3.22Å; L717-K720 PolarHBondContact O-N 3.22Å; L717-K720 VanDerWaalsContact O-N 3.13Å; L717-E721 PolarHBondContact O-N 2.59Å; L717-F795 HydrophobicContact CD1-CE2 4.24Å
718L87.2Confident88.6Confident3 Ų323.9 Ų23.92%0.01613%0.133CC..Hα-helixtrans-60.9-37.8170.6179.456.6000112.2E714 E715 E721 L722 I740 C744 L753 V756E714-L718 VanDerWaalsContact O-CB 3.23Å; E714-L718 WeakPolarHBondContact O-CB 3.16Å; E714-L718 PolarHBondContact O-N 2.94Å; E715-L718 PolarHBondContact O-N 2.76Å; L718-E721 PolarHBondContact O-N 2.88Å; L718-L722 HydrophobicContact CD1-CD1 4.22Å; L718-L722 HydrophobicContact CD1-CG 4.42Å; L718-L722 HydrophobicContact CG-CD1 4.11Å; L718-L722 WeakPolarHBondContact O-CB 3.28Å; L718-L722 WeakPolarHBondContact O-CG 3.5Å; L718-L722 PolarHBondContact O-N 3.31Å; L718-I740 HydrophobicContact CD1-CD1 4.19Å; L718-I740 HydrophobicContact CD1-CG2 3.57Å; L718-C744 HydrophobicContact CD1-CB 4.06Å; L718-L753 HydrophobicContact CD1-CD1 4.33Å; L718-V756 HydrophobicContact CD2-CB 4.42Å; L718-V756 HydrophobicContact CD2-CG2 4.17Å; L718-V756 HydrophobicContact CG-CB 4.49Å
719Q90.9Very high88.6Confident46 Ų4624.5 Ų24.522%0.21514%0.136CC..Hα-helixtrans-60-44.3171.4166.5158.2-28.300111.5E715 E716 L717 L722 V723 V756 V760 D790E715-Q719 WeakPolarHBondContact O-CB 3.48Å; E715-Q719 PolarHBondContact O-N 3.08Å; E716-Q719 WeakPolarHBondContact O-CB 3.41Å; E716-Q719 PolarHBondContact O-N 3.48Å; L717-Q719 VanDerWaalsContact C-N 3.31Å; L717-Q719 PolarHBondContact O-N 3.03Å; Q719-L722 PolarHBondContact O-N 2.98Å; Q719-V723 WeakPolarHBondContact O-CB 3.42Å; Q719-V723 VanDerWaalsContact O-CG2 3.28Å; Q719-V723 WeakPolarHBondContact O-CG2 3.31Å; Q719-V723 PolarHBondContact O-N 3.2Å; Q719-V756 HydrophobicContact CB-CG1 3.83Å; Q719-V760 HydrophobicContact CB-CG1 4.18Å; Q719-V760 HydrophobicContact CG-CG1 3.7Å; Q719-D790 PolarHBondContact NE2-OD1 2.9Å
720K90.4Very high88.6Confident40 Ų4025.6 Ų25.617%0.17414%0.143CC..Hα-helixtrans-63.6-42.7173.3-81.6-159171.8-168.70113.6L712 E716 L717 V723 S724 D792 F795L712-K720 HydrophobicContact CD1-CD 4.27Å; E716-K720 PolarHBondContact O-N 3.47Å; L717-K720 WeakPolarHBondContact O-CB 3.22Å; L717-K720 PolarHBondContact O-N 3.22Å; L717-K720 VanDerWaalsContact O-N 3.13Å; K720-V723 PolarHBondContact O-N 3.44Å; K720-S724 VanDerWaalsContact O-CB 3.29Å; K720-S724 WeakPolarHBondContact O-CB 3.25Å; K720-S724 PolarHBondContact O-N 2.99Å; K720-D792 IonicContact NZ-OD2 3.47Å; K720-D792 PolarHBondContact NZ-OD2 2.55Å; K720-F795 HydrophobicContact CB-CD1 4.17Å; K720-F795 HydrophobicContact CB-CD2 4.45Å; K720-F795 HydrophobicContact CB-CE1 3.82Å; K720-F795 HydrophobicContact CB-CE2 4.1Å; K720-F795 HydrophobicContact CB-CG 4.48Å; K720-F795 HydrophobicContact CB-CZ 3.77Å; K720-F795 HydrophobicContact CD-CD2 3.92Å; K720-F795 HydrophobicContact CD-CE2 4.21Å; K720-F795 HydrophobicContact CD-CG 4.12Å
721E89.2Confident88.6Confident0 Ų027.2 Ų27.20%015%0.149CC..Hα-helixtrans-58.6-48.9175.3-64-62.6177.600111.1Y632 L717 L718 V723 S724 V725 F795 R799Y632-E721 VanDerWaalsContact CE2-OE1 3.27Å; Y632-E721 WeakPolarHBondContact CE2-OE1 3.46Å; Y632-E721 VanDerWaalsContact CZ-OE1 3.3Å; Y632-E721 PolarHBondContact OH-OE1 2.89Å; L717-E721 PolarHBondContact O-N 2.59Å; L718-E721 PolarHBondContact O-N 2.88Å; E721-V723 PolarHBondContact O-N 3.35Å; E721-S724 PolarHBondContact O-N 2.97Å; E721-V725 WeakPolarHBondContact O-CB 3.43Å; E721-V725 VanDerWaalsContact O-CG2 3.31Å; E721-V725 WeakPolarHBondContact O-CG2 3.42Å; E721-V725 PolarHBondContact O-N 2.92Å; E721-F795 HydrophobicContact CG-CZ 4.27Å; E721-R799 VanDerWaalsContact CD-NE 3.3Å; E721-R799 IonicContact OE1-CZ 3.65Å; E721-R799 VanDerWaalsContact OE1-CZ 3.23Å; E721-R799 IonicContact OE1-NE 2.73Å; E721-R799 PolarHBondContact OE1-NE 3.02Å; E721-R799 IonicContact OE1-NH2 3.87Å; E721-R799 PolarHBondContact OE1-NH2 3.5Å; E721-R799 WeakPolarHBondContact OE2-CD 3.48Å; E721-R799 IonicContact OE2-CZ 3.47Å; E721-R799 IonicContact OE2-NE 3.32Å; E721-R799 PolarHBondContact OE2-NE 3.17Å
722L90.9Very high88.8Confident0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-61.2-45.3179.6-80.8163.1000112.6L718 Q719 S724 V725 L726 L736 I740 L753 V756 L757 V760L718-L722 HydrophobicContact CD1-CD1 4.22Å; L718-L722 HydrophobicContact CD1-CG 4.42Å; L718-L722 HydrophobicContact CG-CD1 4.11Å; L718-L722 WeakPolarHBondContact O-CB 3.28Å; L718-L722 WeakPolarHBondContact O-CG 3.5Å; L718-L722 PolarHBondContact O-N 3.31Å; Q719-L722 PolarHBondContact O-N 2.98Å; L722-S724 VanDerWaalsContact C-N 3.33Å; L722-S724 PolarHBondContact O-N 2.92Å; L722-V725 PolarHBondContact O-N 3.24Å; L722-L726 VanDerWaalsContact O-CB 3.27Å; L722-L726 WeakPolarHBondContact O-CB 3.19Å; L722-L726 VanDerWaalsContact O-CG 3.25Å; L722-L726 WeakPolarHBondContact O-CG 3.26Å; L722-L726 PolarHBondContact O-N 2.63Å; L722-L736 HydrophobicContact CD2-CD1 4Å; L722-L736 HydrophobicContact CD2-CD2 4.14Å; L722-I740 HydrophobicContact CD2-CD1 3.55Å; L722-I740 HydrophobicContact CG-CD1 3.91Å; L722-L753 HydrophobicContact CD1-CD1 3.93Å; L722-L753 HydrophobicContact CD2-CD1 4.08Å; L722-L753 HydrophobicContact CG-CD1 4.38Å; L722-V756 HydrophobicContact CD1-CB 4.04Å; L722-V756 HydrophobicContact CD1-CG1 3.63Å; L722-L757 HydrophobicContact CD2-CD1 3.83Å; L722-V760 HydrophobicContact CB-CG2 3.73Å; L722-V760 HydrophobicContact CD1-CG2 3.94Å; L722-V760 HydrophobicContact CG-CG2 4.32Å
723V93.5Very high88.7Confident2 Ų226 Ų261%0.01213%0.129CC..Hα-helixtrans-62-42.6176.4171.10000110.8Q719 K720 E721 A727 V760 L782 L786 D790 F791Q719-V723 WeakPolarHBondContact O-CB 3.42Å; Q719-V723 VanDerWaalsContact O-CG2 3.28Å; Q719-V723 WeakPolarHBondContact O-CG2 3.31Å; Q719-V723 PolarHBondContact O-N 3.2Å; K720-V723 PolarHBondContact O-N 3.44Å; E721-V723 PolarHBondContact O-N 3.35Å; V723-A727 WeakPolarHBondContact O-CB 3.32Å; V723-A727 PolarHBondContact O-N 3.01Å; V723-A727 VanDerWaalsContact O-N 3.09Å; V723-V760 HydrophobicContact CG2-CB 4.33Å; V723-V760 HydrophobicContact CG2-CG1 4.33Å; V723-L782 HydrophobicContact CB-CD1 4.26Å; V723-L782 HydrophobicContact CG1-CD1 4.12Å; V723-L782 HydrophobicContact CG1-CD2 4.3Å; V723-L782 HydrophobicContact CG2-CD1 3.89Å; V723-L786 HydrophobicContact CG2-CD1 4.41Å; V723-D790 HydrophobicContact CG1-CB 4.48Å; V723-D790 HydrophobicContact CG2-CB 4.22Å; V723-F791 HydrophobicContact CG1-CB 4.06Å; V723-F791 HydrophobicContact CG1-CD2 4.27Å
724S91.3Very high88.2Confident6 Ų623.5 Ų23.54%0.04211%0.114CC..Hα-helixtrans-64.5-42.3177.6-172.20000113.1K720 E721 L722 P728 H796K720-S724 VanDerWaalsContact O-CB 3.29Å; K720-S724 WeakPolarHBondContact O-CB 3.25Å; K720-S724 PolarHBondContact O-N 2.99Å; E721-S724 PolarHBondContact O-N 2.97Å; L722-S724 VanDerWaalsContact C-N 3.33Å; L722-S724 PolarHBondContact O-N 2.92Å; S724-P728 VanDerWaalsContact O-CD 3.31Å; S724-P728 WeakPolarHBondContact O-CD 3.41Å; S724-H796 PolarHBondContact O-CE1 3.49Å; S724-H796 VanDerWaalsContact O-CE1 3.26Å; S724-H796 PolarHBondContact O-ND1 3.13Å; S724-H796 PolarHBondContact OG-ND1 2.86Å
725V89.6Confident88.3Confident19 Ų1920.5 Ų20.512%0.11510%0.101CC..Hα-helixtrans-75.1-30.4-178.2170.40000112.7E721 L722 R731 L736 L739E721-V725 WeakPolarHBondContact O-CB 3.43Å; E721-V725 VanDerWaalsContact O-CG2 3.31Å; E721-V725 WeakPolarHBondContact O-CG2 3.42Å; E721-V725 PolarHBondContact O-N 2.92Å; L722-V725 PolarHBondContact O-N 3.24Å; V725-R731 HydrophobicContact CG1-CG 4.18Å; V725-L736 HydrophobicContact CG1-CD2 3.68Å; V725-L739 HydrophobicContact CG1-CB 4.07Å; V725-L739 HydrophobicContact CG1-CD1 3.82Å; V725-L739 HydrophobicContact CG2-CB 4.48Å
726L93.3Very high88.3Confident4 Ų417.6 Ų17.62%0.0219%0.087CC..Hα-helixtrans-87.9-18.1179.3-68.6170.4000114.2L722 R731 L736 L757 A761 Y780 L782L722-L726 VanDerWaalsContact O-CB 3.27Å; L722-L726 WeakPolarHBondContact O-CB 3.19Å; L722-L726 VanDerWaalsContact O-CG 3.25Å; L722-L726 WeakPolarHBondContact O-CG 3.26Å; L722-L726 PolarHBondContact O-N 2.63Å; L726-R731 HydrophobicContact CD2-CB 3.85Å; L726-R731 HydrophobicContact CD2-CG 3.94Å; L726-L736 HydrophobicContact CD2-CD1 4.48Å; L726-L736 HydrophobicContact CD2-CD2 4.14Å; L726-L736 HydrophobicContact CG-CD2 4.36Å; L726-L757 HydrophobicContact CD1-CD1 4.48Å; L726-A761 HydrophobicContact CD1-CB 3.82Å; L726-Y780 WeakPolarHBondContact CD2-O 3.35Å; L726-L782 HydrophobicContact CB-CB 3.98Å
727A93.1Very high87.6Confident0 Ų017.7 Ų17.70%010%0.095CC..THydrogen-bonded Turntrans-61.3-45-179.400000113.8V723 L782 W787 F791 A809 K812V723-A727 WeakPolarHBondContact O-CB 3.32Å; V723-A727 PolarHBondContact O-N 3.01Å; V723-A727 VanDerWaalsContact O-N 3.09Å; A727-L782 HydrophobicContact CB-CD2 4.18Å; A727-W787 HydrophobicContact CB-CH2 3.7Å; A727-W787 HydrophobicContact CB-CZ3 3.91Å; A727-F791 HydrophobicContact CB-CD2 3.73Å; A727-F791 HydrophobicContact CB-CE2 3.49Å; A727-F791 VanDerWaalsContact CB-CE2 3.49Å; A727-F791 HydrophobicContact CB-CZ 4.45Å; A727-A809 HydrophobicContact CB-CB 4.02Å; A727-K812 WeakPolarHBondContact O-CD 3.47Å
728P90.6Very high86.8Confident8 Ų820.2 Ų20.25%0.05211%0.108CC..THydrogen-bonded Turntrans-69.5-45177.7-18.831.9000113.2S724 E805 L808 A809 K812S724-P728 VanDerWaalsContact O-CD 3.31Å; S724-P728 WeakPolarHBondContact O-CD 3.41Å; P728-E805 HydrophobicContact CB-CB 4.42Å; P728-E805 HydrophobicContact CG-CB 4.37Å; P728-L808 HydrophobicContact CB-CB 4.37Å; P728-A809 HydrophobicContact CG-CB 4.29Å; P728-K812 WeakPolarHBondContact O-CD 3.42Å; P728-K812 WeakPolarHBondContact O-CE 3.41Å; P728-K812 PolarHBondContact O-NZ 3.49Å
729E90.4Very high86.3Confident24 Ų2422.3 Ų22.311%0.11212%0.119CC..SBendtrans-156149-175.364.5-171.8157.200112.7R731 Q1530E729-R731 IonicContact OE1-CZ 3.9Å; E729-R731 IonicContact OE1-NH1 3.25Å; E729-R731 PolarHBondContact OE1-NH1 3.29Å; E729-R731 IonicContact OE1-NH2 2.67Å; E729-R731 PolarHBondContact OE1-NH2 2.94Å; E729-Q1530 PolarHBondContact OE1-NE2 3.32Å; E729-Q1530 PolarHBondContact OE2-NE2 3.27Å
730P89.6Confident85.7Confident25 Ų2520.7 Ų20.716%0.16211%0.112CC..  trans-63.3154.1173.330-37000111.4H779 Y780 Y781P730-H779 HydrophobicContact CB-CB 4.38Å; P730-Y780 WeakPolarHBondContact CA-O 3.48Å; P730-Y780 WeakPolarHBondContact CB-O 3.35Å; P730-Y781 HydrophobicContact CB-CD1 3.76Å; P730-Y781 HydrophobicContact CB-CD2 4.16Å; P730-Y781 HydrophobicContact CB-CE1 3.7Å; P730-Y781 HydrophobicContact CB-CE2 4.1Å; P730-Y781 HydrophobicContact CB-CG 3.98Å; P730-Y781 HydrophobicContact CG-CD1 4.16Å; P730-Y781 HydrophobicContact CG-CE1 3.69Å
731R89.5Confident84.7Confident34 Ų3418.9 Ų18.913%0.12810%0.104CC..BIsolated β-bridgetrans-134.1150.5-170.9-65.8-63.1-172-155.7-6.8112.7V725 L726 E729 D735 L736 Y780V725-R731 HydrophobicContact CG1-CG 4.18Å; L726-R731 HydrophobicContact CD2-CB 3.85Å; L726-R731 HydrophobicContact CD2-CG 3.94Å; E729-R731 IonicContact OE1-CZ 3.9Å; E729-R731 IonicContact OE1-NH1 3.25Å; E729-R731 PolarHBondContact OE1-NH1 3.29Å; E729-R731 IonicContact OE1-NH2 2.67Å; E729-R731 PolarHBondContact OE1-NH2 2.94Å; R731-D735 HydrophobicContact CB-CB 4.01Å; R731-D735 HydrophobicContact CG-CB 4.49Å; R731-L736 HydrophobicContact CB-CD1 4.41Å; R731-L736 HydrophobicContact CB-CD2 3.69Å; R731-L736 HydrophobicContact CB-CG 3.79Å; R731-L736 HydrophobicContact CG-CD2 3.9Å; R731-Y780 PolarHBondContact N-O 3.41Å; R731-Y780 VanDerWaalsContact N-O 3.11Å; R731-Y780 PolarHBondContact O-N 2.98Å
732K83.8Confident83Confident30 Ų3026.4 Ų26.413%0.1314%0.139CC..  trans-76.3166.2170.5-54.9166.4-166.6152.60110.5S734 D735 L736 S777 E1531 E2431K732-S734 VanDerWaalsContact C-N 3.33Å; K732-D735 HydrophobicContact CB-CB 4.25Å; K732-D735 WeakPolarHBondContact CB-OD2 3.29Å; K732-D735 WeakPolarHBondContact CG-OD2 3.27Å; K732-D735 PolarHBondContact N-OD2 2.83Å; K732-D735 WeakPolarHBondContact O-CB 3.45Å; K732-D735 PolarHBondContact O-N 2.9Å; K732-L736 WeakPolarHBondContact O-CG 2.79Å; K732-L736 PolarHBondContact O-N 3.28Å; K732-S777 WeakPolarHBondContact CE-OG 3.23Å; K732-E1531 IonicContact NZ-OE1 3.95Å; K732-E1531 PolarHBondContact NZ-OE1 3.39Å; K732-E1531 IonicContact NZ-OE2 3.71Å; K732-E1531 PolarHBondContact NZ-OE2 2.72Å; K732-E2431 WeakPolarHBondContact CB-OE1 3.48Å
733R83.5Confident81.5Confident18 Ų1827.9 Ų27.97%0.06815%0.145CC..Hα-helixtrans-66.5-38.7178.8-176.957.3-178.980.1-0.8111.3S737 P749 L753 D754 Y780 Y2429 E2431R733-S737 PolarHBondContact O-N 3.5Å; R733-P749 PolarHBondContact NH2-O 3.12Å; R733-L753 VanDerWaalsContact NH1-CD2 3.3Å; R733-D754 IonicContact CZ-OD1 3.82Å; R733-D754 IonicContact CZ-OD2 3.52Å; R733-D754 IonicContact NE-OD1 3.19Å; R733-D754 PolarHBondContact NE-OD1 2.96Å; R733-D754 IonicContact NE-OD2 2.66Å; R733-D754 PolarHBondContact NE-OD2 3.3Å; R733-D754 IonicContact NH2-OD1 2.75Å; R733-D754 PolarHBondContact NH2-OD1 3.04Å; R733-D754 IonicContact NH2-OD2 2.67Å; R733-D754 PolarHBondContact NH2-OD2 2.86Å; R733-Y780 HydrophobicContact CB-CE2 4.01Å; R733-Y2429 HydrophobicContact CB-CD1 4.46Å; R733-Y2429 HydrophobicContact CB-CG 4.26Å; R733-Y2429 HydrophobicContact CG-CD1 4Å; R733-Y2429 HydrophobicContact CG-CD2 4.32Å; R733-Y2429 HydrophobicContact CG-CE1 4.2Å; R733-Y2429 HydrophobicContact CG-CG 4.08Å; R733-E2431 WeakPolarHBondContact CA-OE1 3.47Å; R733-E2431 WeakPolarHBondContact CB-OE1 3.39Å; R733-E2431 PolarHBondContact N-OE1 3.15Å
734S74.3Confident79.3Confident23 Ų2329.4 Ų29.416%0.16116%0.155CC..Hα-helixtrans-64.8-4217250.80000112.8K732 L736 S737 I738 E2431K732-S734 VanDerWaalsContact C-N 3.33Å; S734-L736 VanDerWaalsContact C-N 3.27Å; S734-L736 PolarHBondContact O-N 3.46Å; S734-S737 WeakPolarHBondContact CA-OG 3.19Å; S734-S737 PolarHBondContact O-N 2.87Å; S734-S737 PolarHBondContact O-OG 3.45Å; S734-I738 WeakPolarHBondContact O-CG1 3.11Å; S734-I738 PolarHBondContact O-N 3.04Å; S734-E2431 WeakPolarHBondContact CB-OE2 3.37Å; S734-E2431 PolarHBondContact N-OE1 3.25Å; S734-E2431 VanDerWaalsContact N-OE1 3.1Å; S734-E2431 PolarHBondContact OG-OE1 3.12Å; S734-E2431 PolarHBondContact OG-OE2 3.4Å
735D81.3Confident76.7Confident9 Ų930.1 Ų30.15%0.04816%0.163CC..Hα-helixtrans-54.7-46.1176.3-67.3-25.2000111.7R731 K732 I738 L739 K1534R731-D735 HydrophobicContact CB-CB 4.01Å; R731-D735 HydrophobicContact CG-CB 4.49Å; K732-D735 HydrophobicContact CB-CB 4.25Å; K732-D735 WeakPolarHBondContact CB-OD2 3.29Å; K732-D735 WeakPolarHBondContact CG-OD2 3.27Å; K732-D735 PolarHBondContact N-OD2 2.83Å; K732-D735 WeakPolarHBondContact O-CB 3.45Å; K732-D735 PolarHBondContact O-N 2.9Å; D735-I738 PolarHBondContact O-N 3.27Å; D735-L739 WeakPolarHBondContact O-CB 3.49Å; D735-L739 WeakPolarHBondContact O-CG 3.41Å; D735-L739 PolarHBondContact O-N 2.72Å; D735-K1534 IonicContact OD1-NZ 2.98Å; D735-K1534 PolarHBondContact OD1-NZ 3.3Å
736L84.5Confident74.5Confident0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-66.2-40.6180-66.5176000111.8L722 V725 L726 R731 K732 S734 I738 L739 I740 L757 Y780L722-L736 HydrophobicContact CD2-CD1 4Å; L722-L736 HydrophobicContact CD2-CD2 4.14Å; V725-L736 HydrophobicContact CG1-CD2 3.68Å; L726-L736 HydrophobicContact CD2-CD1 4.48Å; L726-L736 HydrophobicContact CD2-CD2 4.14Å; L726-L736 HydrophobicContact CG-CD2 4.36Å; R731-L736 HydrophobicContact CB-CD1 4.41Å; R731-L736 HydrophobicContact CB-CD2 3.69Å; R731-L736 HydrophobicContact CB-CG 3.79Å; R731-L736 HydrophobicContact CG-CD2 3.9Å; K732-L736 WeakPolarHBondContact O-CG 2.79Å; K732-L736 PolarHBondContact O-N 3.28Å; S734-L736 VanDerWaalsContact C-N 3.27Å; S734-L736 PolarHBondContact O-N 3.46Å; L736-I738 PolarHBondContact O-N 3.49Å; L736-L739 PolarHBondContact O-N 3.01Å; L736-I740 HydrophobicContact CB-CD1 3.99Å; L736-I740 VanDerWaalsContact O-CB 3.26Å; L736-I740 WeakPolarHBondContact O-CB 3.32Å; L736-I740 WeakPolarHBondContact O-CD1 3.03Å; L736-I740 WeakPolarHBondContact O-CG1 3.34Å; L736-I740 PolarHBondContact O-N 3.03Å; L736-L757 HydrophobicContact CD1-CD1 3.54Å; L736-L757 HydrophobicContact CD1-CD2 4.01Å; L736-L757 HydrophobicContact CD1-CG 4.46Å; L736-Y780 HydrophobicContact CD1-CD2 4.35Å; L736-Y780 HydrophobicContact CD1-CG 4.45Å
737S74.1Confident72Confident68 Ų6837.8 Ų37.848%0.47620%0.202SC..Hα-helixtrans-64.7-20.5175.555.70000114.6R733 S734R733-S737 PolarHBondContact O-N 3.5Å; S734-S737 WeakPolarHBondContact CA-OG 3.19Å; S734-S737 PolarHBondContact O-N 2.87Å; S734-S737 PolarHBondContact O-OG 3.45Å
738I71.4Confident69.8Low66 Ų6642.3 Ų42.334%0.33823%0.226SC..Hα-helixtrans-91.2-33.3176.5-64.6166.3000111.1Q629 S734 D735 L736Q629-I738 VanDerWaalsContact CG-O 3.32Å; Q629-I738 WeakPolarHBondContact CG-O 3.27Å; Q629-I738 PolarHBondContact NE2-O 3.31Å; S734-I738 WeakPolarHBondContact O-CG1 3.11Å; S734-I738 PolarHBondContact O-N 3.04Å; D735-I738 PolarHBondContact O-N 3.27Å; L736-I738 PolarHBondContact O-N 3.49Å
739L77.5Confident67.7Low46 Ų4645.9 Ų45.924%0.24125%0.249CC..Hα-helixtrans-88.4-25.3-176.4-68.4172000113.7S628 V725 D735 L736S628-L739 VanDerWaalsContact CB-O 3.27Å; S628-L739 WeakPolarHBondContact CB-O 3.24Å; S628-L739 PolarHBondContact OG-O 2.97Å; V725-L739 HydrophobicContact CG1-CB 4.07Å; V725-L739 HydrophobicContact CG1-CD1 3.82Å; V725-L739 HydrophobicContact CG2-CB 4.48Å; D735-L739 WeakPolarHBondContact O-CB 3.49Å; D735-L739 WeakPolarHBondContact O-CG 3.41Å; D735-L739 PolarHBondContact O-N 2.72Å; L736-L739 PolarHBondContact O-N 3.01Å
740I78.5Confident65.8Low13 Ų1346.4 Ų46.47%0.06726%0.255CS..SBendtrans-80.8140.8177.1-66166.8000109.6L718 L722 L736 C744 L753L718-I740 HydrophobicContact CD1-CD1 4.19Å; L718-I740 HydrophobicContact CD1-CG2 3.57Å; L722-I740 HydrophobicContact CD2-CD1 3.55Å; L722-I740 HydrophobicContact CG-CD1 3.91Å; L736-I740 HydrophobicContact CB-CD1 3.99Å; L736-I740 VanDerWaalsContact O-CB 3.26Å; L736-I740 WeakPolarHBondContact O-CB 3.32Å; L736-I740 WeakPolarHBondContact O-CD1 3.03Å; L736-I740 WeakPolarHBondContact O-CG1 3.34Å; L736-I740 PolarHBondContact O-N 3.03Å; I740-C744 HydrophobicContact CG2-CB 4.08Å; I740-L753 HydrophobicContact CD1-CD1 3.54Å; I740-L753 HydrophobicContact CD1-CD2 4.14Å
741P68.2Low64.2Low2 Ų250.6 Ų50.61%0.01328%0.277CS..  trans-81.5147.5-170.4-2039.5000113.8S628 Y632 R743 C744S628-P741 VanDerWaalsContact O-CB 3.26Å; S628-P741 WeakPolarHBondContact O-CB 3.26Å; S628-P741 WeakPolarHBondContact O-CG 3.43Å; Y632-P741 HydrophobicContact CD2-CB 3.49Å; Y632-P741 VanDerWaalsContact CD2-CB 3.49Å; Y632-P741 HydrophobicContact CD2-CG 3.87Å; Y632-P741 HydrophobicContact CE2-CB 3.79Å; Y632-P741 HydrophobicContact CE2-CG 3.69Å; P741-R743 PolarHBondContact O-N 3.3Å; P741-C744 WeakPolarHBondContact O-CB 3.31Å; P741-C744 PolarHBondContact O-N 3.43Å
742E54.9Low63.3Low157 Ų15752.4 Ų52.473%0.73429%0.289SS*.G310 helixtrans-62.3-22-168.4-64.2-170.1147.300115.3C744 G745 I746E742-C744 PolarHBondContact O-N 2.95Å; E742-C744 VanDerWaalsContact O-N 3.13Å; E742-G745 WeakPolarHBondContact O-CA 3.29Å; E742-G745 PolarHBondContact O-N 3.13Å; E742-I746 PolarHBondContact O-N 3.34Å
743R57.8Low63.1Low32 Ų3251.6 Ų51.612%0.12129%0.286CS..G310 helixtrans-59.1-24.4173.5-163.8-179.8-179.1-160.42.9112.4W498 H564 Y632 N709 P741 G745W498-R743 HydrophobicContact CH2-CG 4.47Å; W498-R743 VanDerWaalsContact CH2-NE 3.34Å; W498-R743 HydrophobicContact CZ3-CG 4.4Å; H564-R743 PolarHBondContact NE2-NH2 2.98Å; Y632-R743 HydrophobicContact CD2-CB 4.38Å; Y632-R743 HydrophobicContact CG-CB 4.26Å; N709-R743 PolarHBondContact OD1-NH1 3.26Å; P741-R743 PolarHBondContact O-N 3.3Å; R743-G745 VanDerWaalsContact C-N 3.3Å
744C48.4Very low62.9Low34 Ų3452 Ų5223%0.2329%0.29CS..G310 helixtrans-79.2-9.3172-580000113.7L718 I740 P741 E742L718-C744 HydrophobicContact CD1-CB 4.06Å; I740-C744 HydrophobicContact CG2-CB 4.08Å; P741-C744 WeakPolarHBondContact O-CB 3.31Å; P741-C744 PolarHBondContact O-N 3.43Å; E742-C744 PolarHBondContact O-N 2.95Å; E742-C744 VanDerWaalsContact O-N 3.13Å
745G36Very low63.4Low21 Ų2152.8 Ų52.822%0.21630%0.295CS..THydrogen-bonded Turntrans-112.5-17.6-171.500000115.9E742 R743 I747 N748 P749E742-G745 WeakPolarHBondContact O-CA 3.29Å; E742-G745 PolarHBondContact O-N 3.13Å; R743-G745 VanDerWaalsContact C-N 3.3Å; G745-I747 PolarHBondContact O-N 3.47Å; G745-N748 PolarHBondContact O-N 3.26Å; G745-P749 WeakPolarHBondContact O-CD 3.43Å
746I43Very low63.7Low75 Ų7552.4 Ų52.439%0.38529%0.293SS..SBendtrans-56.7-21.6-175-70.3169.9000114W498 E742W498-I746 HydrophobicContact CB-CD1 4.13Å; W498-I746 HydrophobicContact CG-CD1 4.4Å; E742-I746 PolarHBondContact O-N 3.34Å
747I42.2Very low63.9Low109 Ų10952.4 Ų52.456%0.55929%0.293SS*.SBendtrans-108.1-33.4-173.7-65.8178.1000114G745G745-I747 PolarHBondContact O-N 3.47Å
748N46.2Very low64.5Low95 Ų9557.2 Ų57.251%0.50830%0.301SS..  trans-178.3100.9166.9-106.5-66.4000110G745 S750G745-N748 PolarHBondContact O-N 3.26Å; N748-S750 VanDerWaalsContact C-N 3.32Å; N748-S750 PolarHBondContact O-N 3.37Å
749P46Very low65.5Low82 Ų8259.3 Ų59.353%0.53231%0.307SS..THydrogen-bonded Turntrans-78.9-7.5-168.230.9-35.1000115.3R733 G745 L753R733-P749 PolarHBondContact NH2-O 3.12Å; G745-P749 WeakPolarHBondContact O-CD 3.43Å; P749-L753 WeakPolarHBondContact O-CB 2.95Å
750S50.5Low66.3Low35 Ų3557.1 Ų57.125%0.24530%0.296CS..THydrogen-bonded Turntrans-87.9-76170.448.10000110.7N748 N752 L753 D754N748-S750 VanDerWaalsContact C-N 3.32Å; N748-S750 PolarHBondContact O-N 3.37Å; S750-N752 VanDerWaalsContact C-N 3.35Å; S750-N752 PolarHBondContact O-N 3.13Å; S750-N752 VanDerWaalsContact O-N 3.11Å; S750-L753 PolarHBondContact O-N 3.35Å; S750-D754 PolarHBondContact O-N 3.07Å; S750-D754 VanDerWaalsContact O-OD2 3.06Å
751N57.2Low67Low114 Ų11456.7 Ų56.761%0.6129%0.294SS*.Hα-helixtrans-51.9-44.7-163.3-67.7-4.5000114.7S755N751-S755 WeakPolarHBondContact O-CB 3.39Å; N751-S755 PolarHBondContact O-N 3.06Å; N751-S755 VanDerWaalsContact O-N 3.1Å
752N70.1Confident68.1Low71 Ų7159.6 Ų59.638%0.3831%0.312SS..Hα-helixtrans-76.5-39.2-177.1-13815.3000111.6S750 S755 V756S750-N752 VanDerWaalsContact C-N 3.35Å; S750-N752 PolarHBondContact O-N 3.13Å; S750-N752 VanDerWaalsContact O-N 3.11Å; N752-S755 WeakPolarHBondContact O-CB 3.47Å; N752-S755 PolarHBondContact O-N 2.87Å; N752-V756 WeakPolarHBondContact O-CG2 3.41Å; N752-V756 PolarHBondContact O-N 3.35Å
753L78.9Confident69.6Low13 Ų1356.7 Ų56.77%0.06830%0.295CS..Hα-helixtrans-63.1-47.5175.1176.847.2000111.1L718 L722 R733 I740 P749 S750 S755 V756 L757L718-L753 HydrophobicContact CD1-CD1 4.33Å; L722-L753 HydrophobicContact CD1-CD1 3.93Å; L722-L753 HydrophobicContact CD2-CD1 4.08Å; L722-L753 HydrophobicContact CG-CD1 4.38Å; R733-L753 VanDerWaalsContact NH1-CD2 3.3Å; I740-L753 HydrophobicContact CD1-CD1 3.54Å; I740-L753 HydrophobicContact CD1-CD2 4.14Å; P749-L753 WeakPolarHBondContact O-CB 2.95Å; S750-L753 PolarHBondContact O-N 3.35Å; L753-S755 VanDerWaalsContact C-N 3.28Å; L753-S755 PolarHBondContact O-N 3.37Å; L753-V756 PolarHBondContact O-N 2.99Å; L753-L757 WeakPolarHBondContact O-CB 3.46Å; L753-L757 PolarHBondContact O-N 3.48Å
754D80.1Confident70.8Confident28 Ų2857.8 Ų57.815%0.1531%0.307CS..Hα-helixtrans-70.7-21.5178.1-67.3-63000113.6R733 S750 R758R733-D754 IonicContact CZ-OD1 3.82Å; R733-D754 IonicContact CZ-OD2 3.52Å; R733-D754 IonicContact NE-OD1 3.19Å; R733-D754 PolarHBondContact NE-OD1 2.96Å; R733-D754 IonicContact NE-OD2 2.66Å; R733-D754 PolarHBondContact NE-OD2 3.3Å; R733-D754 IonicContact NH2-OD1 2.75Å; R733-D754 PolarHBondContact NH2-OD1 3.04Å; R733-D754 IonicContact NH2-OD2 2.67Å; R733-D754 PolarHBondContact NH2-OD2 2.86Å; S750-D754 PolarHBondContact O-N 3.07Å; S750-D754 VanDerWaalsContact O-OD2 3.06Å; D754-R758 PolarHBondContact O-N 3.04Å; D754-R758 PolarHBondContact O-NE 3.34Å; D754-R758 PolarHBondContact O-NH2 3.45Å
755S83.8Confident71.9Confident39 Ų3958.9 Ų58.927%0.27332%0.319SS..Hα-helixtrans-67.8-56.6167.8-176.30000111.2N751 N752 L753 L757 R758 K759N751-S755 WeakPolarHBondContact O-CB 3.39Å; N751-S755 PolarHBondContact O-N 3.06Å; N751-S755 VanDerWaalsContact O-N 3.1Å; N752-S755 WeakPolarHBondContact O-CB 3.47Å; N752-S755 PolarHBondContact O-N 2.87Å; L753-S755 VanDerWaalsContact C-N 3.28Å; L753-S755 PolarHBondContact O-N 3.37Å; S755-L757 PolarHBondContact O-N 3.41Å; S755-R758 PolarHBondContact O-N 3.08Å; S755-K759 PolarHBondContact O-N 3.41Å
756V87.8Confident73.3Confident0 Ų060.5 Ų60.50%033%0.325CS..Hα-helixtrans-66.7-37.3-179-177.10000111.5E715 L718 Q719 L722 N752 L753 R758 K759 V760E715-V756 HydrophobicContact CG-CG2 3.39Å; L718-V756 HydrophobicContact CD2-CB 4.42Å; L718-V756 HydrophobicContact CD2-CG2 4.17Å; L718-V756 HydrophobicContact CG-CB 4.49Å; Q719-V756 HydrophobicContact CB-CG1 3.83Å; L722-V756 HydrophobicContact CD1-CB 4.04Å; L722-V756 HydrophobicContact CD1-CG1 3.63Å; N752-V756 WeakPolarHBondContact O-CG2 3.41Å; N752-V756 PolarHBondContact O-N 3.35Å; L753-V756 PolarHBondContact O-N 2.99Å; V756-R758 VanDerWaalsContact C-N 3.29Å; V756-R758 PolarHBondContact O-N 3.28Å; V756-K759 CarbonylContact O-C 3.5Å; V756-K759 WeakPolarHBondContact O-CA 3.33Å; V756-K759 WeakPolarHBondContact O-CB 3.48Å; V756-K759 PolarHBondContact O-N 3.24Å; V756-V760 HydrophobicContact CG1-CG1 3.96Å; V756-V760 WeakPolarHBondContact O-CG2 3.45Å; V756-V760 PolarHBondContact O-N 3.33Å
757L88.3Confident74.4Confident1 Ų159.8 Ų59.81%0.00533%0.327CS..Hα-helixtrans-60.2-38179.1-172.858.4000112.1L722 L726 L736 L753 S755 K759 A761 Y780L722-L757 HydrophobicContact CD2-CD1 3.83Å; L726-L757 HydrophobicContact CD1-CD1 4.48Å; L736-L757 HydrophobicContact CD1-CD1 3.54Å; L736-L757 HydrophobicContact CD1-CD2 4.01Å; L736-L757 HydrophobicContact CD1-CG 4.46Å; L753-L757 WeakPolarHBondContact O-CB 3.46Å; L753-L757 PolarHBondContact O-N 3.48Å; S755-L757 PolarHBondContact O-N 3.41Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.99Å; L757-A761 HydrophobicContact CD1-CB 3.76Å; L757-A761 WeakPolarHBondContact O-CA 3.32Å; L757-A761 WeakPolarHBondContact O-CB 3.44Å; L757-A761 PolarHBondContact O-N 3.21Å; L757-Y780 HydrophobicContact CD1-CD1 3.73Å; L757-Y780 HydrophobicContact CD1-CE1 4.22Å; L757-Y780 HydrophobicContact CD1-CG 3.97Å; L757-Y780 HydrophobicContact CD2-CD1 3.77Å; L757-Y780 HydrophobicContact CD2-CD2 4.09Å; L757-Y780 HydrophobicContact CD2-CE1 3.45Å; L757-Y780 VanDerWaalsContact CD2-CE1 3.45Å; L757-Y780 HydrophobicContact CD2-CE2 3.83Å; L757-Y780 HydrophobicContact CD2-CG 4.07Å; L757-Y780 VanDerWaalsContact CD2-CZ 3.48Å; L757-Y780 HydrophobicContact CG-CD1 3.58Å; L757-Y780 HydrophobicContact CG-CE1 3.53Å; L757-Y780 HydrophobicContact CG-CG 4.17Å
758R88.5Confident74.8Confident169 Ų16957.3 Ų57.364%0.63832%0.319SS*.Hα-helixtrans-65.8-33171.5-80.5175.6-74.2167.7-5112.9D754 S755 V756 R783D754-R758 PolarHBondContact O-N 3.04Å; D754-R758 PolarHBondContact O-NE 3.34Å; D754-R758 PolarHBondContact O-NH2 3.45Å; S755-R758 PolarHBondContact O-N 3.08Å; V756-R758 VanDerWaalsContact C-N 3.29Å; V756-R758 PolarHBondContact O-N 3.28Å; R758-R783 PolarHBondContact O-NE 3.21Å; R758-R783 PolarHBondContact O-NH2 3.47Å
759K91.2Very high75.3Confident109 Ų10954.9 Ų54.947%0.47431%0.306SS..Hα-helixtrans-71.5-43.7175.8-62.2177.8-178.5-1790112.1E715 S755 V756 L757 R783E715-K759 IonicContact OE1-NZ 2.76Å; E715-K759 PolarHBondContact OE1-NZ 3.42Å; S755-K759 PolarHBondContact O-N 3.41Å; V756-K759 CarbonylContact O-C 3.5Å; V756-K759 WeakPolarHBondContact O-CA 3.33Å; V756-K759 WeakPolarHBondContact O-CB 3.48Å; V756-K759 PolarHBondContact O-N 3.24Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.99Å; K759-R783 WeakPolarHBondContact O-CD 3.14Å; K759-R783 PolarHBondContact O-NE 3.35Å
760V93.6Very high75.4Confident1 Ų160.2 Ų60.21%0.00632%0.324CS..Hα-helixtrans-92.9-26.2-171.2-55.20000114.7Q719 L722 V723 V756 R783 L786Q719-V760 HydrophobicContact CB-CG1 4.18Å; Q719-V760 HydrophobicContact CG-CG1 3.7Å; L722-V760 HydrophobicContact CB-CG2 3.73Å; L722-V760 HydrophobicContact CD1-CG2 3.94Å; L722-V760 HydrophobicContact CG-CG2 4.32Å; V723-V760 HydrophobicContact CG2-CB 4.33Å; V723-V760 HydrophobicContact CG2-CG1 4.33Å; V756-V760 HydrophobicContact CG1-CG1 3.96Å; V756-V760 WeakPolarHBondContact O-CG2 3.45Å; V756-V760 PolarHBondContact O-N 3.33Å; V760-R783 WeakPolarHBondContact O-CG 3.47Å; V760-R783 PolarHBondContact O-N 3.38Å; V760-L786 HydrophobicContact CB-CD1 4.01Å; V760-L786 HydrophobicContact CG1-CD1 4.47Å; V760-L786 VanDerWaalsContact O-CD1 3.22Å; V760-L786 WeakPolarHBondContact O-CD1 3.17Å
761A93.4Very high75.1Confident3 Ų364.8 Ų64.83%0.02535%0.35CS..EExtended strand (participates in β ladder)trans-121.9163.1-172.300000113.2L726 L757 Y780 Y781 R783L726-A761 HydrophobicContact CD1-CB 3.82Å; L757-A761 HydrophobicContact CD1-CB 3.76Å; L757-A761 WeakPolarHBondContact O-CA 3.32Å; L757-A761 WeakPolarHBondContact O-CB 3.44Å; L757-A761 PolarHBondContact O-N 3.21Å; A761-Y780 HydrophobicContact CB-CD1 3.96Å; A761-Y780 HydrophobicContact CB-CG 4.47Å; A761-Y781 CarbonylContact C-O 3.55Å; A761-Y781 VanDerWaalsContact CA-O 3.27Å; A761-Y781 WeakPolarHBondContact CA-O 3.35Å; A761-R783 PolarHBondContact O-NE 3.18Å; A761-R783 PolarHBondContact O-NH2 3.09Å
762T91.5Very high74.5Confident63 Ų6360.9 Ų60.939%0.38733%0.332SS..EExtended strand (participates in β ladder)trans-114.2120.6171.8-20.90000106.3Y781 R783T762-Y781 PolarHBondContact N-O 2.87Å; T762-Y781 PolarHBondContact O-N 3.24Å; T762-Y781 PolarHBondContact OG1-O 3.14Å; T762-R783 WeakPolarHBondContact OG1-CG 3.35Å
763Y87.9Confident73.3Confident96 Ų9658.6 Ų58.638%0.37633%0.325SS..EExtended strand (participates in β ladder)trans-85.9127.9178178.1-107.8000109.9A765 Y780 Y2429Y763-A765 HydrophobicContact CE1-CB 4.19Å; Y763-Y780 HydrophobicContact CD2-CD1 4.08Å; Y763-Y780 AromaticContact CD2-CD2 3.99Å; Y763-Y780 HydrophobicContact CD2-CD2 3.99Å; Y763-Y780 AromaticContact CD2-CE1 3.68Å; Y763-Y780 HydrophobicContact CD2-CE1 3.68Å; Y763-Y780 AromaticContact CD2-CE2 3.55Å; Y763-Y780 HydrophobicContact CD2-CE2 3.55Å; Y763-Y780 HydrophobicContact CD2-CG 4.23Å; Y763-Y780 AromaticContact CD2-CZ 3.39Å; Y763-Y780 AromaticContact CE2-CE2 3.9Å; Y763-Y780 HydrophobicContact CE2-CE2 3.9Å; Y763-Y780 AromaticContact CE2-CZ 3.99Å; Y763-Y780 HydrophobicContact CG-CE1 4.06Å; Y763-Y2429 PolarHBondContact OH-O 3.32Å
764S81.4Confident71.6Confident56 Ų5660.7 Ų60.739%0.39234%0.341SS..EExtended strand (participates in β ladder)trans-94.1126.7160.4-172.80000107.8G778 H779S764-G778 CarbonylContact O-C 3.59Å; S764-G778 VanDerWaalsContact O-CA 3.23Å; S764-G778 WeakPolarHBondContact O-CA 3.38Å; S764-H779 PolarHBondContact N-O 3.48Å; S764-H779 PolarHBondContact O-N 2.94Å
765A71.5Confident70.4Confident57 Ų5762.3 Ų62.347%0.47135%0.349SS..PPolyproline II helixtrans-60.3161172.100000111.5Y763Y763-A765 HydrophobicContact CE1-CB 4.19Å
766P66.9Low69.4Low54 Ų5464.2 Ų64.235%0.35136%0.355SS..PPolyproline II helixtrans-59.1142.5169.2-14.328.2000109.9I776P766-I776 CarbonylContact C-O 3.56Å; P766-I776 VanDerWaalsContact CA-O 3.22Å; P766-I776 WeakPolarHBondContact CA-O 3.16Å; P766-I776 WeakPolarHBondContact CB-O 3.32Å
767S65.5Low68.3Low60 Ų6065.8 Ų65.842%0.4237%0.366SS..EExtended strand (participates in β ladder)trans-143.6148.3-179.362.10000110.6I776S767-I776 PolarHBondContact N-O 3.32Å; S767-I776 PolarHBondContact O-N 3.3Å
768C51.4Low67.7Low57 Ų5765.8 Ų65.839%0.38537%0.366SS..EExtended strand (participates in β ladder)trans-78.2129.3167.4-161.90000109E770 L775C768-E770 PolarHBondContact O-N 3.26Å; C768-L775 HydrophobicContact CB-CD2 4.34Å
769D56.8Low67.6Low45 Ų4559.3 Ų59.324%0.24134%0.343CS..  trans-69.4108.8170.2172.56.2000109.3T771 S772 G773 S774 I776D769-T771 PolarHBondContact O-N 2.63Å; D769-T771 VanDerWaalsContact O-N 3.09Å; D769-T771 WeakPolarHBondContact OD1-CA 3.26Å; D769-T771 PolarHBondContact OD1-N 2.95Å; D769-T771 PolarHBondContact OD1-OG1 2.9Å; D769-S772 VanDerWaalsContact CG-OG 3.22Å; D769-S772 PolarHBondContact O-N 3.3Å; D769-S772 PolarHBondContact OD1-N 3.35Å; D769-S772 WeakPolarHBondContact OD2-CB 3.45Å; D769-S772 PolarHBondContact OD2-OG 2.95Å; D769-G773 WeakPolarHBondContact O-CA 3.43Å; D769-G773 PolarHBondContact O-N 3.31Å; D769-S774 WeakPolarHBondContact CB-O 3.47Å; D769-S774 PolarHBondContact N-O 3.12Å; D769-I776 HydrophobicContact CB-CD1 4.08Å; D769-I776 HydrophobicContact CB-CG1 4.31Å
770E46.5Very low67.6Low194 Ų19455.4 Ų55.491%0.90733%0.326SS*.THydrogen-bonded Turntrans-52.9-29177.8-61.9-179.217200113.1C768C768-E770 PolarHBondContact O-N 3.26Å
771T44.4Very low67.6Low130 Ų13060.7 Ų60.780%0.79835%0.346SS*.THydrogen-bonded Turntrans-92.2-14.9-175.665.70000114.5D769D769-T771 PolarHBondContact O-N 2.63Å; D769-T771 VanDerWaalsContact O-N 3.09Å; D769-T771 WeakPolarHBondContact OD1-CA 3.26Å; D769-T771 PolarHBondContact OD1-N 2.95Å; D769-T771 PolarHBondContact OD1-OG1 2.9Å
772S45.5Very low67.7Low33 Ų3361.3 Ų61.323%0.23135%0.349CS..THydrogen-bonded Turntrans-129.4-5.8179.9780000115.5D769 S774D769-S772 VanDerWaalsContact CG-OG 3.22Å; D769-S772 PolarHBondContact O-N 3.3Å; D769-S772 PolarHBondContact OD1-N 3.35Å; D769-S772 WeakPolarHBondContact OD2-CB 3.45Å; D769-S772 PolarHBondContact OD2-OG 2.95Å; S772-S774 PolarHBondContact O-N 3.04Å; S772-S774 VanDerWaalsContact O-N 3.12Å; S772-S774 PolarHBondContact O-OG 3.32Å; S772-S774 VanDerWaalsContact OG-CB 3.31Å; S772-S774 WeakPolarHBondContact OG-CB 3.26Å; S772-S774 PolarHBondContact OG-N 3.29Å; S772-S774 PolarHBondContact OG-OG 3.46Å
773G44.2Very low67.8Low22 Ų2262.8 Ų62.823%0.22735%0.348CS..  trans62.511.1-17400000114.1D769 V2464D769-G773 WeakPolarHBondContact O-CA 3.43Å; D769-G773 PolarHBondContact O-N 3.31Å; G773-V2464 WeakPolarHBondContact O-CG1 3.49Å
774S43.9Very low67.8Low57 Ų5761.8 Ų61.840%0.39935%0.353SS..PPolyproline II helixtrans-93.4133.6-177-57.60000110.4D769 S772 I776D769-S774 WeakPolarHBondContact CB-O 3.47Å; D769-S774 PolarHBondContact N-O 3.12Å; S772-S774 PolarHBondContact O-N 3.04Å; S772-S774 VanDerWaalsContact O-N 3.12Å; S772-S774 PolarHBondContact O-OG 3.32Å; S772-S774 VanDerWaalsContact OG-CB 3.31Å; S772-S774 WeakPolarHBondContact OG-CB 3.26Å; S772-S774 PolarHBondContact OG-N 3.29Å; S772-S774 PolarHBondContact OG-OG 3.46Å; S774-I776 PolarHBondContact O-N 2.69Å
775L53.9Low68.1Low62 Ų6262.3 Ų62.333%0.32536%0.357SS..EExtended strand (participates in β ladder)trans-77.2117.2179.8-71.8145.1000110.5C768 W2421 R2448 L2451C768-L775 HydrophobicContact CB-CD2 4.34Å; L775-W2421 HydrophobicContact CD1-CH2 4.08Å; L775-W2421 HydrophobicContact CD1-CZ2 4.45Å; L775-R2448 HydrophobicContact CD1-CG 4.12Å; L775-R2448 HydrophobicContact CD2-CG 4.19Å; L775-L2451 HydrophobicContact CD1-CD2 4.07Å; L775-L2451 HydrophobicContact CD2-CD2 4.33Å; L775-L2451 HydrophobicContact CG-CD2 4.35Å
776I63Low69.1Low80 Ų8060.4 Ų60.441%0.4134%0.339SS..EExtended strand (participates in β ladder)trans-88127.9172.7-52.8179.6000108P766 S767 D769 S774P766-I776 CarbonylContact C-O 3.56Å; P766-I776 VanDerWaalsContact CA-O 3.22Å; P766-I776 WeakPolarHBondContact CA-O 3.16Å; P766-I776 WeakPolarHBondContact CB-O 3.32Å; S767-I776 PolarHBondContact N-O 3.32Å; S767-I776 PolarHBondContact O-N 3.3Å; D769-I776 HydrophobicContact CB-CD1 4.08Å; D769-I776 HydrophobicContact CB-CG1 4.31Å; S774-I776 PolarHBondContact O-N 2.69Å
777S64.6Low70.1Confident32 Ų3258.8 Ų58.822%0.22433%0.325CS..PPolyproline II helixtrans-66.6162174.667.20000111.8K732 H779K732-S777 WeakPolarHBondContact CE-OG 3.23Å; S777-H779 PolarHBondContact O-CE1 3.18Å; S777-H779 PolarHBondContact O-ND1 2.92Å; S777-H779 PolarHBondContact OG-CE1 3.37Å; S777-H779 VanDerWaalsContact OG-CE1 3.23Å
778G76.3Confident70.9Confident1 Ų158.7 Ų58.71%0.0132%0.318CS..PPolyproline II helixtrans-58.1145.2170.400000111.9S764S764-G778 CarbonylContact O-C 3.59Å; S764-G778 VanDerWaalsContact O-CA 3.23Å; S764-G778 WeakPolarHBondContact O-CA 3.38Å
779H86.6Confident72.5Confident33 Ų3360.2 Ų60.215%0.15333%0.326CS..EExtended strand (participates in β ladder)trans-142.6142.2-178-77.883000111.6P730 S764 S777 Y781P730-H779 HydrophobicContact CB-CB 4.38Å; S764-H779 PolarHBondContact N-O 3.48Å; S764-H779 PolarHBondContact O-N 2.94Å; S777-H779 PolarHBondContact O-CE1 3.18Å; S777-H779 PolarHBondContact O-ND1 2.92Å; S777-H779 PolarHBondContact OG-CE1 3.37Å; S777-H779 VanDerWaalsContact OG-CE1 3.23Å; H779-Y781 HydrophobicContact CB-CD2 4.48Å; H779-Y781 HydrophobicContact CB-CE2 3.8Å; H779-Y781 WeakPolarHBondContact O-CD2 3.28Å
780Y92Very high74Confident27 Ų2760 Ų6011%0.10633%0.325CS..EExtended strand (participates in β ladder)trans-94.8133.6173.9-68.1-89.2000110.9L726 P730 R731 R733 L736 L757 A761 Y763L726-Y780 WeakPolarHBondContact CD2-O 3.35Å; P730-Y780 WeakPolarHBondContact CA-O 3.48Å; P730-Y780 WeakPolarHBondContact CB-O 3.35Å; R731-Y780 PolarHBondContact N-O 3.41Å; R731-Y780 VanDerWaalsContact N-O 3.11Å; R731-Y780 PolarHBondContact O-N 2.98Å; R733-Y780 HydrophobicContact CB-CE2 4.01Å; L736-Y780 HydrophobicContact CD1-CD2 4.35Å; L736-Y780 HydrophobicContact CD1-CG 4.45Å; L757-Y780 HydrophobicContact CD1-CD1 3.73Å; L757-Y780 HydrophobicContact CD1-CE1 4.22Å; L757-Y780 HydrophobicContact CD1-CG 3.97Å; L757-Y780 HydrophobicContact CD2-CD1 3.77Å; L757-Y780 HydrophobicContact CD2-CD2 4.09Å; L757-Y780 HydrophobicContact CD2-CE1 3.45Å; L757-Y780 VanDerWaalsContact CD2-CE1 3.45Å; L757-Y780 HydrophobicContact CD2-CE2 3.83Å; L757-Y780 HydrophobicContact CD2-CG 4.07Å; L757-Y780 VanDerWaalsContact CD2-CZ 3.48Å; L757-Y780 HydrophobicContact CG-CD1 3.58Å; L757-Y780 HydrophobicContact CG-CE1 3.53Å; L757-Y780 HydrophobicContact CG-CG 4.17Å; A761-Y780 HydrophobicContact CB-CD1 3.96Å; A761-Y780 HydrophobicContact CB-CG 4.47Å; Y763-Y780 HydrophobicContact CD2-CD1 4.08Å; Y763-Y780 AromaticContact CD2-CD2 3.99Å; Y763-Y780 HydrophobicContact CD2-CD2 3.99Å; Y763-Y780 AromaticContact CD2-CE1 3.68Å; Y763-Y780 HydrophobicContact CD2-CE1 3.68Å; Y763-Y780 AromaticContact CD2-CE2 3.55Å; Y763-Y780 HydrophobicContact CD2-CE2 3.55Å; Y763-Y780 HydrophobicContact CD2-CG 4.23Å; Y763-Y780 AromaticContact CD2-CZ 3.39Å; Y763-Y780 AromaticContact CE2-CE2 3.9Å; Y763-Y780 HydrophobicContact CE2-CE2 3.9Å; Y763-Y780 AromaticContact CE2-CZ 3.99Å; Y763-Y780 HydrophobicContact CG-CE1 4.06Å
781Y92.6Very high76.2Confident112 Ų11250.9 Ų50.944%0.43928%0.282SS..EExtended strand (participates in β ladder)trans-119133179.4-67.1-104.5000109.8P730 A761 T762 H779 R783P730-Y781 HydrophobicContact CB-CD1 3.76Å; P730-Y781 HydrophobicContact CB-CD2 4.16Å; P730-Y781 HydrophobicContact CB-CE1 3.7Å; P730-Y781 HydrophobicContact CB-CE2 4.1Å; P730-Y781 HydrophobicContact CB-CG 3.98Å; P730-Y781 HydrophobicContact CG-CD1 4.16Å; P730-Y781 HydrophobicContact CG-CE1 3.69Å; A761-Y781 CarbonylContact C-O 3.55Å; A761-Y781 VanDerWaalsContact CA-O 3.27Å; A761-Y781 WeakPolarHBondContact CA-O 3.35Å; T762-Y781 PolarHBondContact N-O 2.87Å; T762-Y781 PolarHBondContact O-N 3.24Å; T762-Y781 PolarHBondContact OG1-O 3.14Å; H779-Y781 HydrophobicContact CB-CD2 4.48Å; H779-Y781 HydrophobicContact CB-CE2 3.8Å; H779-Y781 WeakPolarHBondContact O-CD2 3.28Å; Y781-R783 PolarHBondContact O-N 3.25Å
782L95.1Very high78.4Confident17 Ų1745.6 Ų45.69%0.08925%0.249CC..EExtended strand (participates in β ladder)trans-54.5128.9174.9-179.759.3000110.9V723 L726 A727 L786 W787V723-L782 HydrophobicContact CB-CD1 4.26Å; V723-L782 HydrophobicContact CG1-CD1 4.12Å; V723-L782 HydrophobicContact CG1-CD2 4.3Å; V723-L782 HydrophobicContact CG2-CD1 3.89Å; L726-L782 HydrophobicContact CB-CB 3.98Å; A727-L782 HydrophobicContact CB-CD2 4.18Å; L782-L786 HydrophobicContact CD1-CB 4.14Å; L782-L786 HydrophobicContact CD1-CD1 3.99Å; L782-W787 HydrophobicContact CD2-CD2 4.12Å; L782-W787 HydrophobicContact CD2-CE3 4.35Å; L782-W787 HydrophobicContact CD2-CH2 4.2Å; L782-W787 HydrophobicContact CD2-CZ2 3.92Å; L782-W787 HydrophobicContact CD2-CZ3 4.39Å
783R93.7Very high80.5Confident93 Ų9344.4 Ų44.435%0.35124%0.24SC..  trans-63.4131.4179.8-76.8176.4-176.9-95.15110.9R758 K759 V760 A761 T762 Y781 S785 L786R758-R783 PolarHBondContact O-NE 3.21Å; R758-R783 PolarHBondContact O-NH2 3.47Å; K759-R783 WeakPolarHBondContact O-CD 3.14Å; K759-R783 PolarHBondContact O-NE 3.35Å; V760-R783 WeakPolarHBondContact O-CG 3.47Å; V760-R783 PolarHBondContact O-N 3.38Å; A761-R783 PolarHBondContact O-NE 3.18Å; A761-R783 PolarHBondContact O-NH2 3.09Å; T762-R783 WeakPolarHBondContact OG1-CG 3.35Å; Y781-R783 PolarHBondContact O-N 3.25Å; R783-S785 PolarHBondContact O-N 3.17Å; R783-L786 HydrophobicContact CB-CD1 3.95Å; R783-L786 HydrophobicContact CB-CG 4.11Å; R783-L786 PolarHBondContact O-N 3.37Å
784P88.7Confident82.8Confident75 Ų7543.5 Ų43.549%0.48723%0.23SC..G310 helixtrans-56.4-26.8-176.2-29.135.6000115.5L786 H816P784-L786 PolarHBondContact O-N 2.84Å; P784-H816 PolarHBondContact O-CE1 2.98Å; P784-H816 PolarHBondContact O-NE2 3.04Å; P784-H816 VanDerWaalsContact O-NE2 3.17Å
785S87.3Confident85Confident67 Ų6740.9 Ų40.947%0.46921%0.212SC..G310 helixtrans-61.7-30.1176.949.10000113.9R783 W787R783-S785 PolarHBondContact O-N 3.17Å; S785-W787 PolarHBondContact O-N 3.16Å
786L91.6Very high86.8Confident18 Ų1838.1 Ų38.19%0.09420%0.197CC..G310 helixtrans-82.8-15.3-165.2-56.5178.4000113.9V723 V760 L782 R783 P784 H788 T789 D790 F791V723-L786 HydrophobicContact CG2-CD1 4.41Å; V760-L786 HydrophobicContact CB-CD1 4.01Å; V760-L786 HydrophobicContact CG1-CD1 4.47Å; V760-L786 VanDerWaalsContact O-CD1 3.22Å; V760-L786 WeakPolarHBondContact O-CD1 3.17Å; L782-L786 HydrophobicContact CD1-CB 4.14Å; L782-L786 HydrophobicContact CD1-CD1 3.99Å; R783-L786 HydrophobicContact CB-CD1 3.95Å; R783-L786 HydrophobicContact CB-CG 4.11Å; R783-L786 PolarHBondContact O-N 3.37Å; P784-L786 PolarHBondContact O-N 2.84Å; L786-H788 PolarHBondContact O-N 3.25Å; L786-H788 VanDerWaalsContact O-N 3.11Å; L786-T789 WeakPolarHBondContact CA-OG1 3.34Å; L786-T789 PolarHBondContact O-N 3.05Å; L786-D790 HydrophobicContact CB-CB 4.3Å; L786-D790 WeakPolarHBondContact CD2-OD2 3.49Å; L786-D790 PolarHBondContact O-N 2.82Å; L786-F791 PolarHBondContact O-N 3.48Å; L786-F791 VanDerWaalsContact O-N 3.12Å
787W89Confident88Confident19 Ų1937.3 Ų37.37%0.07219%0.193CC..G310 helixtrans-58.9-19.6174.8-75.7118000114.4A727 L782 S785 F791 K812 Y813 H816A727-W787 HydrophobicContact CB-CH2 3.7Å; A727-W787 HydrophobicContact CB-CZ3 3.91Å; L782-W787 HydrophobicContact CD2-CD2 4.12Å; L782-W787 HydrophobicContact CD2-CE3 4.35Å; L782-W787 HydrophobicContact CD2-CH2 4.2Å; L782-W787 HydrophobicContact CD2-CZ2 3.92Å; L782-W787 HydrophobicContact CD2-CZ3 4.39Å; S785-W787 PolarHBondContact O-N 3.16Å; W787-F791 HydrophobicContact CE3-CB 4.04Å; W787-F791 AromaticContact CE3-CD1 3.85Å; W787-F791 HydrophobicContact CE3-CD1 3.85Å; W787-F791 HydrophobicContact CE3-CD2 4.29Å; W787-F791 HydrophobicContact CE3-CE1 4.44Å; W787-F791 AromaticContact CE3-CG 3.77Å; W787-F791 HydrophobicContact CE3-CG 3.77Å; W787-F791 AromaticContact CZ3-CD1 3.93Å; W787-F791 HydrophobicContact CZ3-CD1 3.93Å; W787-F791 AromaticContact CZ3-CD2 3.97Å; W787-F791 HydrophobicContact CZ3-CD2 3.97Å; W787-F791 HydrophobicContact CZ3-CE1 4.11Å; W787-F791 HydrophobicContact CZ3-CE2 4.16Å; W787-F791 AromaticContact CZ3-CG 3.87Å; W787-F791 HydrophobicContact CZ3-CG 3.87Å; W787-F791 HydrophobicContact CZ3-CZ 4.23Å; W787-K812 HydrophobicContact CH2-CB 3.81Å; W787-K812 HydrophobicContact CZ2-CB 3.82Å; W787-Y813 HydrophobicContact CB-CD2 4.14Å; W787-Y813 HydrophobicContact CB-CE2 4.42Å; W787-Y813 HydrophobicContact CD2-CD2 4.42Å; W787-Y813 AromaticContact CE3-CD2 3.93Å; W787-Y813 HydrophobicContact CE3-CD2 3.93Å; W787-Y813 HydrophobicContact CE3-CG 4.45Å; W787-Y813 VanDerWaalsContact O-CE2 3.32Å; W787-Y813 WeakPolarHBondContact O-CE2 3.35Å; W787-H816 AromaticContact CD1-CD2 3.87Å; W787-H816 AromaticContact CD1-CG 3.55Å; W787-H816 AromaticContact CD1-ND1 3.92Å; W787-H816 HydrophobicContact CG-CB 4.21Å
788H81Confident89.2Confident58 Ų5835.8 Ų35.827%0.26918%0.183SC..G310 helixtrans-117.30.9179.8-60.6-59.5000114L786 Y813 H816 H834L786-H788 PolarHBondContact O-N 3.25Å; L786-H788 VanDerWaalsContact O-N 3.11Å; H788-Y813 AromaticContact CE1-CE2 3.74Å; H788-Y813 AromaticContact ND1-CE2 3.71Å; H788-H816 AromaticContact CD2-CD2 3.93Å; H788-H816 AromaticContact CD2-NE2 3.76Å; H788-H816 AromaticContact NE2-CD2 3.43Å; H788-H816 PolarHBondContact NE2-CD2 3.05Å; H788-H816 AromaticContact NE2-NE2 3.6Å; H788-H834 PolarHBondContact O-CE1 2.84Å; H788-H834 VanDerWaalsContact O-CE1 3.29Å
789T85.3Confident89.6Confident89 Ų8936.6 Ų36.655%0.54619%0.185SC..THydrogen-bonded Turntrans-124.2-33.1-177.256.90000113.7L786L786-T789 WeakPolarHBondContact CA-OG1 3.34Å; L786-T789 PolarHBondContact O-N 3.05Å
790D89Confident89.1Confident41 Ų4136 Ų3622%0.21918%0.184CC..THydrogen-bonded Turntrans-131.8-20.4-168-66.7-101.9000114.3Q719 V723 L786 D792Q719-D790 PolarHBondContact NE2-OD1 2.9Å; V723-D790 HydrophobicContact CG1-CB 4.48Å; V723-D790 HydrophobicContact CG2-CB 4.22Å; L786-D790 HydrophobicContact CB-CB 4.3Å; L786-D790 WeakPolarHBondContact CD2-OD2 3.49Å; L786-D790 PolarHBondContact O-N 2.82Å; D790-D792 PolarHBondContact O-N 2.89Å
791F92.4Very high87.7Confident2 Ų237.4 Ų37.41%0.00920%0.196CC..  trans-72.691.9178.4177.4-106.6000111.4V723 A727 L786 W787 P793 H796 A809 M810 P832 H834V723-F791 HydrophobicContact CG1-CB 4.06Å; V723-F791 HydrophobicContact CG1-CD2 4.27Å; A727-F791 HydrophobicContact CB-CD2 3.73Å; A727-F791 HydrophobicContact CB-CE2 3.49Å; A727-F791 VanDerWaalsContact CB-CE2 3.49Å; A727-F791 HydrophobicContact CB-CZ 4.45Å; L786-F791 PolarHBondContact O-N 3.48Å; L786-F791 VanDerWaalsContact O-N 3.12Å; W787-F791 HydrophobicContact CE3-CB 4.04Å; W787-F791 AromaticContact CE3-CD1 3.85Å; W787-F791 HydrophobicContact CE3-CD1 3.85Å; W787-F791 HydrophobicContact CE3-CD2 4.29Å; W787-F791 HydrophobicContact CE3-CE1 4.44Å; W787-F791 AromaticContact CE3-CG 3.77Å; W787-F791 HydrophobicContact CE3-CG 3.77Å; W787-F791 AromaticContact CZ3-CD1 3.93Å; W787-F791 HydrophobicContact CZ3-CD1 3.93Å; W787-F791 AromaticContact CZ3-CD2 3.97Å; W787-F791 HydrophobicContact CZ3-CD2 3.97Å; W787-F791 HydrophobicContact CZ3-CE1 4.11Å; W787-F791 HydrophobicContact CZ3-CE2 4.16Å; W787-F791 AromaticContact CZ3-CG 3.87Å; W787-F791 HydrophobicContact CZ3-CG 3.87Å; W787-F791 HydrophobicContact CZ3-CZ 4.23Å; F791-P793 HydrophobicContact CE1-CG 4.27Å; F791-P793 WeakPolarHBondContact O-CD 3.43Å; F791-H796 HydrophobicContact CE2-CB 4.15Å; F791-H796 AromaticContact CE2-CG 3.96Å; F791-H796 HydrophobicContact CZ-CB 4.41Å; F791-A809 HydrophobicContact CE2-CB 4.25Å; F791-A809 HydrophobicContact CZ-CB 3.98Å; F791-M810 HydrophobicContact CE1-SD 4.3Å; F791-P832 HydrophobicContact CD1-CG 3.89Å; F791-P832 HydrophobicContact CE1-CG 4.27Å; F791-H834 PolarHBondContact O-CD2 3.17Å; F791-H834 VanDerWaalsContact O-CD2 3.3Å
792D90.9Very high86.7Confident19 Ų1933.2 Ų33.210%0.10218%0.183CC..  trans-86.1111.1178.5178.1-16.1000111.6K720 D790 I794 F795 H796K720-D792 IonicContact NZ-OD2 3.47Å; K720-D792 PolarHBondContact NZ-OD2 2.55Å; D790-D792 PolarHBondContact O-N 2.89Å; D792-I794 VanDerWaalsContact C-N 3.3Å; D792-I794 PolarHBondContact O-N 3.4Å; D792-I794 WeakPolarHBondContact OD1-CA 3.47Å; D792-I794 WeakPolarHBondContact OD1-CB 3.38Å; D792-I794 PolarHBondContact OD1-N 2.93Å; D792-F795 HydrophobicContact CB-CB 3.88Å; D792-F795 VanDerWaalsContact CG-CB 3.5Å; D792-F795 PolarHBondContact O-N 3.12Å; D792-F795 PolarHBondContact OD1-N 3.4Å; D792-H796 WeakPolarHBondContact O-CB 3.36Å; D792-H796 PolarHBondContact O-N 3.39Å
793P89.9Confident85.7Confident8 Ų839.7 Ų39.75%0.05221%0.206CC..Hα-helixtrans-67.4-27.2-179-20.834.5000113.7F791 L797 P831 P832 F833F791-P793 HydrophobicContact CE1-CG 4.27Å; F791-P793 WeakPolarHBondContact O-CD 3.43Å; P793-L797 WeakPolarHBondContact O-CB 3.36Å; P793-L797 VanDerWaalsContact O-CG 3.25Å; P793-L797 WeakPolarHBondContact O-CG 3.26Å; P793-L797 PolarHBondContact O-N 3.25Å; P793-P831 HydrophobicContact CB-CB 4.15Å; P793-P831 HydrophobicContact CG-CB 4Å; P793-P832 WeakPolarHBondContact CD-O 3.3Å; P793-P832 HydrophobicContact CG-CG 3.91Å; P793-P832 WeakPolarHBondContact CG-O 3.47Å; P793-F833 HydrophobicContact CB-CD1 4.32Å; P793-F833 HydrophobicContact CB-CE1 4.15Å; P793-F833 HydrophobicContact CG-CD1 4.37Å
794I91.5Very high84.9Confident3 Ų340.4 Ų40.42%0.01521%0.209CC..Hα-helixtrans-75-45.5-178.9-61.7165.8000108.9C701 F702 D705 L706 D792 H796 L797 L798 F833C701-I794 HydrophobicContact CB-CD1 4.1Å; C701-I794 HydrophobicContact CB-CG1 4.4Å; C701-I794 HydrophobicContact CB-CG2 4.13Å; F702-I794 HydrophobicContact CD1-CG2 3.75Å; F702-I794 HydrophobicContact CE1-CG2 4.18Å; F702-I794 WeakPolarHBondContact CE1-O 3.44Å; D705-I794 HydrophobicContact CB-CD1 4.11Å; L706-I794 HydrophobicContact CD2-CG2 4.2Å; L706-I794 HydrophobicContact CG-CG2 4.41Å; D792-I794 VanDerWaalsContact C-N 3.3Å; D792-I794 PolarHBondContact O-N 3.4Å; D792-I794 WeakPolarHBondContact OD1-CA 3.47Å; D792-I794 WeakPolarHBondContact OD1-CB 3.38Å; D792-I794 PolarHBondContact OD1-N 2.93Å; I794-H796 VanDerWaalsContact C-N 3.31Å; I794-H796 PolarHBondContact O-N 3.12Å; I794-L797 PolarHBondContact O-N 3.42Å; I794-L798 PolarHBondContact O-N 3.37Å; I794-F833 HydrophobicContact CD1-CD1 3.94Å; I794-F833 HydrophobicContact CD1-CE1 4.35Å; I794-F833 HydrophobicContact CG1-CD1 3.84Å; I794-F833 HydrophobicContact CG1-CE1 3.88Å
795F91.8Very high84.5Confident3 Ų339 Ų391%0.01320%0.196CC..Hα-helixtrans-61.6-39.7171.5-173-85.9000111.8L706 N708 L717 K720 E721 D792 L798 R799L706-F795 HydrophobicContact CD2-CB 4.14Å; L706-F795 HydrophobicContact CD2-CD2 4.14Å; N708-F795 WeakPolarHBondContact ND2-CE2 3.46Å; L717-F795 HydrophobicContact CD1-CE2 4.24Å; K720-F795 HydrophobicContact CB-CD1 4.17Å; K720-F795 HydrophobicContact CB-CD2 4.45Å; K720-F795 HydrophobicContact CB-CE1 3.82Å; K720-F795 HydrophobicContact CB-CE2 4.1Å; K720-F795 HydrophobicContact CB-CG 4.48Å; K720-F795 HydrophobicContact CB-CZ 3.77Å; K720-F795 HydrophobicContact CD-CD2 3.92Å; K720-F795 HydrophobicContact CD-CE2 4.21Å; K720-F795 HydrophobicContact CD-CG 4.12Å; E721-F795 HydrophobicContact CG-CZ 4.27Å; D792-F795 HydrophobicContact CB-CB 3.88Å; D792-F795 VanDerWaalsContact CG-CB 3.5Å; D792-F795 PolarHBondContact O-N 3.12Å; D792-F795 PolarHBondContact OD1-N 3.4Å; F795-L798 PolarHBondContact O-N 2.86Å; F795-R799 HydrophobicContact CD1-CG 4.22Å; F795-R799 HydrophobicContact CE1-CG 3.86Å; F795-R799 HydrophobicContact CZ-CG 4.37Å; F795-R799 PolarHBondContact O-N 3.1Å
796H90.8Very high84.3Confident4 Ų436.7 Ų36.72%0.01918%0.18CC..Hα-helixtrans-64.1-41.8176.8-170.263.9000112.8S724 F791 D792 I794 L798 R799 V800 A809S724-H796 PolarHBondContact O-CE1 3.49Å; S724-H796 VanDerWaalsContact O-CE1 3.26Å; S724-H796 PolarHBondContact O-ND1 3.13Å; S724-H796 PolarHBondContact OG-ND1 2.86Å; F791-H796 HydrophobicContact CE2-CB 4.15Å; F791-H796 AromaticContact CE2-CG 3.96Å; F791-H796 HydrophobicContact CZ-CB 4.41Å; D792-H796 WeakPolarHBondContact O-CB 3.36Å; D792-H796 PolarHBondContact O-N 3.39Å; I794-H796 VanDerWaalsContact C-N 3.31Å; I794-H796 PolarHBondContact O-N 3.12Å; H796-L798 VanDerWaalsContact C-N 3.28Å; H796-L798 PolarHBondContact O-N 3.48Å; H796-R799 PolarHBondContact O-N 2.82Å; H796-V800 VanDerWaalsContact CE1-CG2 3.49Å; H796-V800 WeakPolarHBondContact CE1-CG2 3.37Å; H796-V800 WeakPolarHBondContact O-CB 3.45Å; H796-V800 WeakPolarHBondContact O-CG2 3.18Å; H796-V800 PolarHBondContact O-N 2.83Å; H796-V800 VanDerWaalsContact O-N 3.16Å; H796-A809 WeakPolarHBondContact NE2-CB 3.04Å
797L88.4Confident84Confident62 Ų6239.5 Ų39.533%0.32520%0.201SC..Hα-helixtrans-63.1-30.6174.8-76.9168.2000113.3F702 P793 I794F702-L797 HydrophobicContact CE1-CB 4.19Å; F702-L797 HydrophobicContact CZ-CB 4.33Å; P793-L797 WeakPolarHBondContact O-CB 3.36Å; P793-L797 VanDerWaalsContact O-CG 3.25Å; P793-L797 WeakPolarHBondContact O-CG 3.26Å; P793-L797 PolarHBondContact O-N 3.25Å; I794-L797 PolarHBondContact O-N 3.42Å
798L88.9Confident84Confident0 Ų039.4 Ų39.40%020%0.202CC..Hα-helixtrans-70.1-37.3174.8179.661.7000112.5M626 I635 I639 F702 L706 I794 F795 H796M626-L798 HydrophobicContact CE-CD1 4.45Å; I635-L798 HydrophobicContact CD1-CD1 3.45Å; I635-L798 VanDerWaalsContact CD1-CD1 3.45Å; I635-L798 HydrophobicContact CG1-CD1 3.92Å; I635-L798 HydrophobicContact CG2-CD1 4.27Å; I639-L798 HydrophobicContact CD1-CD1 3.91Å; I639-L798 HydrophobicContact CD1-CD2 3.9Å; F702-L798 HydrophobicContact CD1-CB 4.48Å; F702-L798 HydrophobicContact CD2-CD1 4.1Å; F702-L798 HydrophobicContact CE1-CB 3.88Å; F702-L798 HydrophobicContact CE2-CB 4.36Å; F702-L798 HydrophobicContact CE2-CD1 3.75Å; F702-L798 HydrophobicContact CZ-CB 3.81Å; F702-L798 HydrophobicContact CZ-CD1 4.07Å; L706-L798 HydrophobicContact CD1-CD2 3.52Å; I794-L798 PolarHBondContact O-N 3.37Å; F795-L798 PolarHBondContact O-N 2.86Å; H796-L798 VanDerWaalsContact C-N 3.28Å; H796-L798 PolarHBondContact O-N 3.48Å
799R85.4Confident84.4Confident18 Ų1836.7 Ų36.77%0.06819%0.189CC..Hα-helixtrans-84.4-17.2-175.4-65.1-63.8-176.5-108.76.1114.4C631 Y632 D636 N708 E721 F795 H796C631-R799 PolarHBondContact SG-NH1 3.35Å; C631-R799 PolarHBondContact SG-NH2 3.13Å; Y632-R799 PolarHBondContact OH-NH2 3.17Å; Y632-R799 VanDerWaalsContact OH-NH2 3.09Å; D636-R799 IonicContact OD1-CZ 2.71Å; D636-R799 IonicContact OD1-NH1 3.87Å; D636-R799 PolarHBondContact OD1-NH1 3.46Å; D636-R799 IonicContact OD1-NH2 3.9Å; D636-R799 PolarHBondContact OD1-NH2 3.17Å; D636-R799 IonicContact OD2-CZ 2.66Å; D636-R799 IonicContact OD2-NH1 2.74Å; D636-R799 IonicContact OD2-NH2 2.78Å; D636-R799 PolarHBondContact OD2-NH2 3.33Å; N708-R799 PolarHBondContact ND2-NH2 2.74Å; E721-R799 VanDerWaalsContact CD-NE 3.3Å; E721-R799 IonicContact OE1-CZ 3.65Å; E721-R799 VanDerWaalsContact OE1-CZ 3.23Å; E721-R799 IonicContact OE1-NE 2.73Å; E721-R799 PolarHBondContact OE1-NE 3.02Å; E721-R799 IonicContact OE1-NH2 3.87Å; E721-R799 PolarHBondContact OE1-NH2 3.5Å; E721-R799 WeakPolarHBondContact OE2-CD 3.48Å; E721-R799 IonicContact OE2-CZ 3.47Å; E721-R799 IonicContact OE2-NE 3.32Å; E721-R799 PolarHBondContact OE2-NE 3.17Å; F795-R799 HydrophobicContact CD1-CG 4.22Å; F795-R799 HydrophobicContact CE1-CG 3.86Å; F795-R799 HydrophobicContact CZ-CG 4.37Å; F795-R799 PolarHBondContact O-N 3.1Å; H796-R799 PolarHBondContact O-N 2.82Å
800V75.7Confident84.5Confident20 Ų2034.3 Ų34.312%0.12117%0.172CC..  trans-111.4104.8-171174.60000111.9H796 S802 E805 S806H796-V800 VanDerWaalsContact CE1-CG2 3.49Å; H796-V800 WeakPolarHBondContact CE1-CG2 3.37Å; H796-V800 WeakPolarHBondContact O-CB 3.45Å; H796-V800 WeakPolarHBondContact O-CG2 3.18Å; H796-V800 PolarHBondContact O-N 2.83Å; H796-V800 VanDerWaalsContact O-N 3.16Å; V800-S802 WeakPolarHBondContact CG1-O 3.5Å; V800-S802 PolarHBondContact O-N 3.29Å; V800-E805 HydrophobicContact CG1-CB 3.56Å; V800-S806 WeakPolarHBondContact CG1-OG 3.48Å
801T63.5Low84.4Confident58 Ų5837.2 Ų37.236%0.35618%0.184SC..SBendtrans-73.7-8.1175.361.90000113.7M626M626-T801 HydrophobicContact CB-CG2 3.79Å
802S71.5Confident84.2Confident24 Ų2440.3 Ų40.317%0.16820%0.198CC..  trans-115109.3-177.1-155.40000112.7V800 R804 E805 S806V800-S802 WeakPolarHBondContact CG1-O 3.5Å; V800-S802 PolarHBondContact O-N 3.29Å; S802-R804 PolarHBondContact O-N 3.11Å; S802-E805 PolarHBondContact O-N 3.5Å; S802-S806 PolarHBondContact O-N 2.95Å
803R73.2Confident84.1Confident153 Ų15340 Ų4058%0.57720%0.196SC*.Hα-helixtrans-45.2-34.7173.4-80.3-173.4167.5-151.6-11.3113.6E805 S806 S807R803-E805 PolarHBondContact O-N 3.12Å; R803-S806 PolarHBondContact O-N 3.09Å; R803-S807 PolarHBondContact O-N 2.75Å; R803-S807 PolarHBondContact O-OG 3.23Å
804R76.3Confident83.8Confident108 Ų10843.1 Ų43.141%0.40821%0.206SC..Hα-helixtrans-58.8-41.5176.3169.3173.5162159.7-7.3112.8S802 S807 L808S802-R804 PolarHBondContact O-N 3.11Å; R804-S807 PolarHBondContact O-N 3.4Å; R804-L808 HydrophobicContact CG-CD1 4.01Å; R804-L808 VanDerWaalsContact O-CG 3.22Å; R804-L808 WeakPolarHBondContact O-CG 3.31Å; R804-L808 PolarHBondContact O-N 3.3Å
805E81.8Confident83.3Confident44 Ų4447.1 Ų47.121%0.20623%0.225CC..Hα-helixtrans-73.4-39.2-178.5-78.3152.3-133.500111.1P728 V800 S802 R803 S807 L808 A809 R1533P728-E805 HydrophobicContact CB-CB 4.42Å; P728-E805 HydrophobicContact CG-CB 4.37Å; V800-E805 HydrophobicContact CG1-CB 3.56Å; S802-E805 PolarHBondContact O-N 3.5Å; R803-E805 PolarHBondContact O-N 3.12Å; E805-S807 VanDerWaalsContact C-N 3.32Å; E805-S807 PolarHBondContact O-N 3.38Å; E805-L808 PolarHBondContact O-N 2.94Å; E805-L808 VanDerWaalsContact O-N 3.12Å; E805-A809 PolarHBondContact O-N 3.26Å; E805-R1533 IonicContact OE1-NH1 3.4Å
806S83.1Confident83Confident19 Ų1947.8 Ų47.813%0.13323%0.228CC..Hα-helixtrans-60.6-40.6170-40.20000111.9V800 S802 R803 M810V800-S806 WeakPolarHBondContact CG1-OG 3.48Å; S802-S806 PolarHBondContact O-N 2.95Å; R803-S806 PolarHBondContact O-N 3.09Å; S806-M810 WeakPolarHBondContact O-CG 3.39Å; S806-M810 PolarHBondContact O-N 2.94Å; S806-M810 VanDerWaalsContact O-N 3.07Å
807S84.5Confident82.4Confident78 Ų7848 Ų4855%0.54523%0.23SC..Hα-helixtrans-63.9-38172.7-610000112.7R803 R804 E805 M810 E811R803-S807 PolarHBondContact O-N 2.75Å; R803-S807 PolarHBondContact O-OG 3.23Å; R804-S807 PolarHBondContact O-N 3.4Å; E805-S807 VanDerWaalsContact C-N 3.32Å; E805-S807 PolarHBondContact O-N 3.38Å; S807-M810 PolarHBondContact O-N 2.93Å; S807-E811 VanDerWaalsContact O-CB 3.29Å; S807-E811 WeakPolarHBondContact O-CB 3.42Å; S807-E811 PolarHBondContact O-N 2.94Å
808L88.9Confident81.8Confident17 Ų1750.6 Ų50.69%0.08924%0.235CC..Hα-helixtrans-69-40.1177.4-71.8166.3000112.3P728 R804 E805 M810 E811 K812 K1526P728-L808 HydrophobicContact CB-CB 4.37Å; R804-L808 HydrophobicContact CG-CD1 4.01Å; R804-L808 VanDerWaalsContact O-CG 3.22Å; R804-L808 WeakPolarHBondContact O-CG 3.31Å; R804-L808 PolarHBondContact O-N 3.3Å; E805-L808 PolarHBondContact O-N 2.94Å; E805-L808 VanDerWaalsContact O-N 3.12Å; L808-M810 VanDerWaalsContact C-N 3.35Å; L808-E811 WeakPolarHBondContact CD2-OE2 3.19Å; L808-E811 PolarHBondContact O-N 2.99Å; L808-K812 PolarHBondContact O-N 2.63Å; L808-K1526 HydrophobicContact CD2-CD 3.74Å
809A89.7Confident81.3Confident0 Ų057.2 Ų57.20%027%0.266CS..Hα-helixtrans-62.3-42.8173.300000111.4A727 P728 F791 H796 E805 K812 Y813A727-A809 HydrophobicContact CB-CB 4.02Å; P728-A809 HydrophobicContact CG-CB 4.29Å; F791-A809 HydrophobicContact CE2-CB 4.25Å; F791-A809 HydrophobicContact CZ-CB 3.98Å; H796-A809 WeakPolarHBondContact NE2-CB 3.04Å; E805-A809 PolarHBondContact O-N 3.26Å; A809-K812 PolarHBondContact O-N 3.25Å; A809-Y813 PolarHBondContact O-N 3.42Å
810M87.3Confident80.9Confident39 Ų3962.9 Ų62.919%0.19229%0.288CS..Hα-helixtrans-69.8-34.6175-72-55.1-53.500113.5F791 S806 S807 L808 K812 Y813 R814 P831F791-M810 HydrophobicContact CE1-SD 4.3Å; S806-M810 WeakPolarHBondContact O-CG 3.39Å; S806-M810 PolarHBondContact O-N 2.94Å; S806-M810 VanDerWaalsContact O-N 3.07Å; S807-M810 PolarHBondContact O-N 2.93Å; L808-M810 VanDerWaalsContact C-N 3.35Å; M810-K812 VanDerWaalsContact C-N 3.31Å; M810-K812 PolarHBondContact O-N 3.19Å; M810-Y813 HydrophobicContact CE-CD1 3.85Å; M810-Y813 PolarHBondContact O-N 3Å; M810-R814 WeakPolarHBondContact O-CB 3.47Å; M810-R814 WeakPolarHBondContact O-CD 3.29Å; M810-R814 WeakPolarHBondContact O-CG 3.38Å; M810-R814 PolarHBondContact O-N 3.44Å; M810-P831 HydrophobicContact CE-CB 4.29Å; M810-P831 HydrophobicContact CE-CG 4.39Å; M810-P831 HydrophobicContact SD-CB 4.37Å
811E86.3Confident80.6Confident102 Ų10265.6 Ų65.648%0.47730%0.299SS..Hα-helixtrans-59-43.6172.3-176.8169-134.100110.4S807 L808 R814 E815 K1526S807-E811 VanDerWaalsContact O-CB 3.29Å; S807-E811 WeakPolarHBondContact O-CB 3.42Å; S807-E811 PolarHBondContact O-N 2.94Å; L808-E811 WeakPolarHBondContact CD2-OE2 3.19Å; L808-E811 PolarHBondContact O-N 2.99Å; E811-R814 PolarHBondContact O-N 3.28Å; E811-E815 PolarHBondContact O-N 2.82Å; E811-K1526 IonicContact OE2-NZ 2.69Å; E811-K1526 PolarHBondContact OE2-NZ 3.08Å
812K90Very high80.5Confident67 Ų6765.7 Ų65.729%0.29131%0.312SS..Hα-helixtrans-72.4-39.1175.9-79.1176.5158.8-176.50115.1A727 P728 W787 L808 A809 M810 R814 E815 H816A727-K812 WeakPolarHBondContact O-CD 3.47Å; P728-K812 WeakPolarHBondContact O-CD 3.42Å; P728-K812 WeakPolarHBondContact O-CE 3.41Å; P728-K812 PolarHBondContact O-NZ 3.49Å; W787-K812 HydrophobicContact CH2-CB 3.81Å; W787-K812 HydrophobicContact CZ2-CB 3.82Å; L808-K812 PolarHBondContact O-N 2.63Å; A809-K812 PolarHBondContact O-N 3.25Å; M810-K812 VanDerWaalsContact C-N 3.31Å; M810-K812 PolarHBondContact O-N 3.19Å; K812-R814 VanDerWaalsContact C-N 3.27Å; K812-R814 PolarHBondContact O-N 3.28Å; K812-E815 PolarHBondContact O-N 3.27Å; K812-E815 VanDerWaalsContact O-N 3.16Å; K812-H816 PolarHBondContact O-N 3.38Å
813Y87.7Confident79.9Confident14 Ų1466.2 Ų66.26%0.05531%0.313CS..Hα-helixtrans-58-44.1172.2175-106.2000110.7W787 H788 A809 M810 E815 H816 C817 P832W787-Y813 HydrophobicContact CB-CD2 4.14Å; W787-Y813 HydrophobicContact CB-CE2 4.42Å; W787-Y813 HydrophobicContact CD2-CD2 4.42Å; W787-Y813 AromaticContact CE3-CD2 3.93Å; W787-Y813 HydrophobicContact CE3-CD2 3.93Å; W787-Y813 HydrophobicContact CE3-CG 4.45Å; W787-Y813 VanDerWaalsContact O-CE2 3.32Å; W787-Y813 WeakPolarHBondContact O-CE2 3.35Å; H788-Y813 AromaticContact CE1-CE2 3.74Å; H788-Y813 AromaticContact ND1-CE2 3.71Å; A809-Y813 PolarHBondContact O-N 3.42Å; M810-Y813 HydrophobicContact CE-CD1 3.85Å; M810-Y813 PolarHBondContact O-N 3Å; Y813-E815 PolarHBondContact O-N 2.77Å; Y813-H816 PolarHBondContact O-N 2.75Å; Y813-C817 VanDerWaalsContact CZ-SG 3.55Å; Y813-C817 PolarHBondContact O-N 3.13Å; Y813-C817 PolarHBondContact O-SG 3.31Å; Y813-P832 HydrophobicContact CD1-CG 4.38Å; Y813-P832 HydrophobicContact CD2-CG 4.14Å; Y813-P832 HydrophobicContact CE1-CB 4.37Å; Y813-P832 HydrophobicContact CE1-CG 4.06Å; Y813-P832 HydrophobicContact CE2-CB 4.09Å; Y813-P832 HydrophobicContact CE2-CG 3.81Å; Y813-P832 HydrophobicContact CG-CG 4.43Å
814R83.8Confident79Confident73 Ų7365.4 Ų65.428%0.27533%0.326SS..Hα-helixtrans-63.1-38.8174.6-69.1170172.4-156-9.3112.2M810 E811 K812 C817 R818 M826 S827 L829M810-R814 WeakPolarHBondContact O-CB 3.47Å; M810-R814 WeakPolarHBondContact O-CD 3.29Å; M810-R814 WeakPolarHBondContact O-CG 3.38Å; M810-R814 PolarHBondContact O-N 3.44Å; E811-R814 PolarHBondContact O-N 3.28Å; K812-R814 VanDerWaalsContact C-N 3.27Å; K812-R814 PolarHBondContact O-N 3.28Å; R814-C817 PolarHBondContact O-N 3.19Å; R814-R818 PolarHBondContact O-N 3.3Å; R814-M826 VanDerWaalsContact O-SD 3.37Å; R814-S827 VanDerWaalsContact CZ-O 3.25Å; R814-S827 PolarHBondContact NH1-O 2.85Å; R814-S827 PolarHBondContact NH2-O 2.9Å; R814-L829 HydrophobicContact CB-CD1 4.26Å; R814-L829 HydrophobicContact CG-CB 4.04Å; R814-L829 HydrophobicContact CG-CD1 3.9Å; R814-L829 PolarHBondContact NH2-O 2.85Å
815E81.8Confident78Confident86 Ų8664.9 Ų64.940%0.40233%0.331SS..Hα-helixtrans-63.8-44.1172.6179.1170.2-149.800112.8E811 K812 Y813 C817 R818 Q819E811-E815 PolarHBondContact O-N 2.82Å; K812-E815 PolarHBondContact O-N 3.27Å; K812-E815 VanDerWaalsContact O-N 3.16Å; Y813-E815 PolarHBondContact O-N 2.77Å; E815-C817 VanDerWaalsContact C-N 3.35Å; E815-C817 PolarHBondContact O-N 3.03Å; E815-R818 WeakPolarHBondContact O-CB 3.44Å; E815-R818 PolarHBondContact O-N 2.65Å; E815-R818 VanDerWaalsContact O-N 3.16Å; E815-Q819 HydrophobicContact CG-CG 4.46Å; E815-Q819 WeakPolarHBondContact O-CG 3.43Å; E815-Q819 PolarHBondContact O-N 3.07Å; E815-Q819 PolarHBondContact OE1-NE2 2.66Å
816H84.2Confident76.7Confident17 Ų1763.7 Ų63.78%0.07933%0.326CS..Hα-helixtrans-59.3-45.9175.2-178.465000111.4P784 W787 H788 K812 Y813 R818 Q819 R820P784-H816 PolarHBondContact O-CE1 2.98Å; P784-H816 PolarHBondContact O-NE2 3.04Å; P784-H816 VanDerWaalsContact O-NE2 3.17Å; W787-H816 AromaticContact CD1-CD2 3.87Å; W787-H816 AromaticContact CD1-CG 3.55Å; W787-H816 AromaticContact CD1-ND1 3.92Å; W787-H816 HydrophobicContact CG-CB 4.21Å; H788-H816 AromaticContact CD2-CD2 3.93Å; H788-H816 AromaticContact CD2-NE2 3.76Å; H788-H816 AromaticContact NE2-CD2 3.43Å; H788-H816 PolarHBondContact NE2-CD2 3.05Å; H788-H816 AromaticContact NE2-NE2 3.6Å; K812-H816 PolarHBondContact O-N 3.38Å; Y813-H816 PolarHBondContact O-N 2.75Å; H816-R818 VanDerWaalsContact C-N 3.31Å; H816-R818 PolarHBondContact O-N 2.73Å; H816-Q819 PolarHBondContact O-N 3.5Å; H816-R820 VanDerWaalsContact O-CB 3.3Å; H816-R820 WeakPolarHBondContact O-CB 3.43Å; H816-R820 PolarHBondContact O-N 3.14Å
817C79.3Confident75.5Confident9 Ų966.9 Ų66.96%0.06135%0.348CS..Hα-helixtrans-57.6-42174.6-68.80000112.3Y813 R814 E815 R820 H821 L829Y813-C817 VanDerWaalsContact CZ-SG 3.55Å; Y813-C817 PolarHBondContact O-N 3.13Å; Y813-C817 PolarHBondContact O-SG 3.31Å; R814-C817 PolarHBondContact O-N 3.19Å; E815-C817 VanDerWaalsContact C-N 3.35Å; E815-C817 PolarHBondContact O-N 3.03Å; C817-R820 PolarHBondContact O-N 2.83Å; C817-H821 WeakPolarHBondContact O-CB 3.44Å; C817-H821 PolarHBondContact O-N 3.04Å; C817-L829 HydrophobicContact CB-CD1 3.82Å
818R75.7Confident74.4Confident116 Ų11664.2 Ų64.244%0.43833%0.329SS..Hα-helixtrans-61.2-49.2176-167.1-167.7-56.7120.24.3111.7R814 E815 H816 R820 G822 M826R814-R818 PolarHBondContact O-N 3.3Å; E815-R818 WeakPolarHBondContact O-CB 3.44Å; E815-R818 PolarHBondContact O-N 2.65Å; E815-R818 VanDerWaalsContact O-N 3.16Å; H816-R818 VanDerWaalsContact C-N 3.31Å; H816-R818 PolarHBondContact O-N 2.73Å; R818-R820 VanDerWaalsContact C-N 3.33Å; R818-R820 PolarHBondContact O-N 2.68Å; R818-G822 WeakPolarHBondContact O-CA 3.37Å; R818-G822 PolarHBondContact O-N 3.49Å; R818-M826 HydrophobicContact CB-SD 3.86Å; R818-M826 HydrophobicContact CG-SD 4.44Å
819Q78.5Confident73.7Confident140 Ų14063.8 Ų63.865%0.65433%0.327SS*.Hα-helixtrans-63.8-37179.8-68.7174.65.100112.2E815 H816E815-Q819 HydrophobicContact CG-CG 4.46Å; E815-Q819 WeakPolarHBondContact O-CG 3.43Å; E815-Q819 PolarHBondContact O-N 3.07Å; E815-Q819 PolarHBondContact OE1-NE2 2.66Å; H816-Q819 PolarHBondContact O-N 3.5Å
820R77Confident73.3Confident136 Ų13664.4 Ų64.451%0.51333%0.33SS..Hα-helixtrans-84.2-30.9-175.7-170.1175.6-173.4140.13.5114.5H816 C817 R818H816-R820 VanDerWaalsContact O-CB 3.3Å; H816-R820 WeakPolarHBondContact O-CB 3.43Å; H816-R820 PolarHBondContact O-N 3.14Å; C817-R820 PolarHBondContact O-N 2.83Å; R818-R820 VanDerWaalsContact C-N 3.33Å; R818-R820 PolarHBondContact O-N 2.68Å
821H68.9Low73Confident78 Ų7864 Ų6436%0.36133%0.329SS..Hα-helixtrans-127.6-1.1-169.1-61.4-68.5000115.1C817 V823C817-H821 WeakPolarHBondContact O-CB 3.44Å; C817-H821 PolarHBondContact O-N 3.04Å; H821-V823 HydrophobicContact CB-CG2 4.08Å; H821-V823 PolarHBondContact O-N 3.47Å; H821-V823 VanDerWaalsContact O-N 3.11Å
822G62.2Low72.9Confident60 Ų6059.4 Ų59.462%0.61931%0.309SS*.  trans67.79.6173.300000115.9R818R818-G822 WeakPolarHBondContact O-CA 3.37Å; R818-G822 PolarHBondContact O-N 3.49Å
823V58.5Low72.7Confident34 Ų3457.9 Ų57.921%0.20630%0.302CS..  trans-73.6128.9-173.5-176.70000111H821 M826H821-V823 HydrophobicContact CB-CG2 4.08Å; H821-V823 PolarHBondContact O-N 3.47Å; H821-V823 VanDerWaalsContact O-N 3.11Å; V823-M826 HydrophobicContact CB-CE 3.58Å; V823-M826 HydrophobicContact CG1-CE 3.61Å
824T53.3Low72.5Confident137 Ų13759.8 Ų59.884%0.8431%0.311SS*.SBendtrans-84.5-38.5-172.251.20000114.1M826T824-M826 PolarHBondContact O-N 2.73Å
825N55.9Low72.5Confident96 Ų9661.2 Ų61.251%0.51332%0.32SS..  trans-93.690.4-174.6-159.6-3.3000111.5S827N825-S827 PolarHBondContact OD1-OG 3.32Å
826M55Low72.8Confident20 Ų2058.3 Ų58.310%0.09931%0.308CS..  trans-99.2-5.9-166-68.9-8490.100115.8R814 R818 V823 T824 S828 L829R814-M826 VanDerWaalsContact O-SD 3.37Å; R818-M826 HydrophobicContact CB-SD 3.86Å; R818-M826 HydrophobicContact CG-SD 4.44Å; V823-M826 HydrophobicContact CB-CE 3.58Å; V823-M826 HydrophobicContact CG1-CE 3.61Å; T824-M826 PolarHBondContact O-N 2.73Å; M826-S828 VanDerWaalsContact C-N 3.34Å; M826-S828 PolarHBondContact O-N 2.82Å; M826-L829 HydrophobicContact CE-CD1 3.42Å; M826-L829 VanDerWaalsContact CE-CD1 3.42Å; M826-L829 HydrophobicContact CE-CD2 4.34Å; M826-L829 HydrophobicContact CE-CG 3.85Å; M826-L829 HydrophobicContact SD-CD1 3.73Å
827S56.5Low72.9Confident86 Ų8661.9 Ų61.960%0.60132%0.324SS*.THydrogen-bonded Turntrans-69.4-30.4-175.449.30000113.4R814 N825R814-S827 VanDerWaalsContact CZ-O 3.25Å; R814-S827 PolarHBondContact NH1-O 2.85Å; R814-S827 PolarHBondContact NH2-O 2.9Å; N825-S827 PolarHBondContact OD1-OG 3.32Å
828S62Low73.2Confident22 Ų2270.4 Ų70.415%0.15436%0.362CS..THydrogen-bonded Turntrans-96.76.8-173.954.50000115.2M826 W830M826-S828 VanDerWaalsContact C-N 3.34Å; M826-S828 PolarHBondContact O-N 2.82Å; S828-W830 PolarHBondContact O-N 2.78Å
829L73.7Confident73.9Confident8 Ų865.5 Ų65.54%0.04235%0.345CS..BIsolated β-bridgetrans-64.5120.5174.2-80.6-175.5000110.9R814 C817 M826 G1396R814-L829 HydrophobicContact CB-CD1 4.26Å; R814-L829 HydrophobicContact CG-CB 4.04Å; R814-L829 HydrophobicContact CG-CD1 3.9Å; R814-L829 PolarHBondContact NH2-O 2.85Å; C817-L829 HydrophobicContact CB-CD1 3.82Å; M826-L829 HydrophobicContact CE-CD1 3.42Å; M826-L829 VanDerWaalsContact CE-CD1 3.42Å; M826-L829 HydrophobicContact CE-CD2 4.34Å; M826-L829 HydrophobicContact CE-CG 3.85Å; M826-L829 HydrophobicContact SD-CD1 3.73Å; L829-G1396 VanDerWaalsContact CD2-C 3.47Å; L829-G1396 WeakPolarHBondContact CD2-O 3.38Å
830W80.9Confident74.3Confident13 Ų1360.1 Ų60.15%0.04932%0.322CS..PPolyproline II helixtrans-79.7160.8176.4-78.412.9000111.6S828 E875 L878 A879 I882 L1194 G1396 G1398 W1401 I1402S828-W830 PolarHBondContact O-N 2.78Å; W830-E875 PolarHBondContact NE1-OE2 2.97Å; W830-L878 HydrophobicContact CH2-CB 4.42Å; W830-L878 HydrophobicContact CH2-CD2 3.87Å; W830-L878 HydrophobicContact CH2-CG 3.82Å; W830-L878 HydrophobicContact CZ2-CB 4.49Å; W830-L878 HydrophobicContact CZ2-CD2 3.99Å; W830-L878 HydrophobicContact CZ2-CG 4.22Å; W830-A879 HydrophobicContact CB-CB 4.48Å; W830-A879 HydrophobicContact CD2-CB 3.57Å; W830-A879 HydrophobicContact CE3-CB 3.5Å; W830-A879 HydrophobicContact CG-CB 4.06Å; W830-A879 HydrophobicContact CH2-CB 4.42Å; W830-A879 HydrophobicContact CZ2-CB 4.46Å; W830-A879 HydrophobicContact CZ3-CB 3.97Å; W830-I882 HydrophobicContact CH2-CG1 4.13Å; W830-I882 HydrophobicContact CZ3-CB 4.11Å; W830-I882 HydrophobicContact CZ3-CG1 3.97Å; W830-I882 HydrophobicContact CZ3-CG2 4.27Å; W830-L1194 HydrophobicContact CH2-CD1 4.06Å; W830-L1194 HydrophobicContact CZ2-CD1 3.8Å; W830-G1396 PolarHBondContact N-O 3.02Å; W830-G1398 VanDerWaalsContact CZ2-CA 3.43Å; W830-W1401 HydrophobicContact CE3-CB 4.05Å; W830-W1401 AromaticContact CE3-CD1 3.88Å; W830-W1401 HydrophobicContact CE3-CG 4.23Å; W830-W1401 HydrophobicContact CZ3-CB 4.14Å; W830-I1402 HydrophobicContact CH2-CD1 4.34Å; W830-I1402 HydrophobicContact CH2-CG1 4.39Å
831P82.2Confident74.7Confident29 Ų2957.9 Ų57.919%0.18833%0.325CS..PPolyproline II helixtrans-61.5145.3177.7-21.633.7000112.8P793 M810 F833P793-P831 HydrophobicContact CB-CB 4.15Å; P793-P831 HydrophobicContact CG-CB 4Å; M810-P831 HydrophobicContact CE-CB 4.29Å; M810-P831 HydrophobicContact CE-CG 4.39Å; M810-P831 HydrophobicContact SD-CB 4.37Å; P831-F833 HydrophobicContact CB-CD2 4.16Å; P831-F833 HydrophobicContact CB-CE1 4.19Å; P831-F833 HydrophobicContact CB-CE2 3.81Å; P831-F833 HydrophobicContact CB-CZ 3.82Å; P831-F833 HydrophobicContact CG-CE2 3.87Å; P831-F833 HydrophobicContact CG-CZ 3.88Å; P831-F833 PolarHBondContact O-N 2.82Å
832P84.5Confident75.4Confident6 Ų656.2 Ų56.24%0.03932%0.319CS..  trans-75.672.1174.232.3-35000110.6F791 P793 Y813 H834F791-P832 HydrophobicContact CD1-CG 3.89Å; F791-P832 HydrophobicContact CE1-CG 4.27Å; P793-P832 WeakPolarHBondContact CD-O 3.3Å; P793-P832 HydrophobicContact CG-CG 3.91Å; P793-P832 WeakPolarHBondContact CG-O 3.47Å; Y813-P832 HydrophobicContact CD1-CG 4.38Å; Y813-P832 HydrophobicContact CD2-CG 4.14Å; Y813-P832 HydrophobicContact CE1-CB 4.37Å; Y813-P832 HydrophobicContact CE1-CG 4.06Å; Y813-P832 HydrophobicContact CE2-CB 4.09Å; Y813-P832 HydrophobicContact CE2-CG 3.81Å; Y813-P832 HydrophobicContact CG-CG 4.43Å; P832-H834 PolarHBondContact O-CD2 3.28Å; P832-H834 PolarHBondContact O-N 3.46Å; P832-H834 VanDerWaalsContact O-N 3.16Å
833F85.9Confident76.8Confident35 Ų3553.4 Ų53.415%0.15429%0.29CS..PPolyproline II helixtrans-65.3117.7175.9-67.2-62.4000110.4P793 I794 P831 A879 M880 H883P793-F833 HydrophobicContact CB-CD1 4.32Å; P793-F833 HydrophobicContact CB-CE1 4.15Å; P793-F833 HydrophobicContact CG-CD1 4.37Å; I794-F833 HydrophobicContact CD1-CD1 3.94Å; I794-F833 HydrophobicContact CD1-CE1 4.35Å; I794-F833 HydrophobicContact CG1-CD1 3.84Å; I794-F833 HydrophobicContact CG1-CE1 3.88Å; P831-F833 HydrophobicContact CB-CD2 4.16Å; P831-F833 HydrophobicContact CB-CE1 4.19Å; P831-F833 HydrophobicContact CB-CE2 3.81Å; P831-F833 HydrophobicContact CB-CZ 3.82Å; P831-F833 HydrophobicContact CG-CE2 3.87Å; P831-F833 HydrophobicContact CG-CZ 3.88Å; P831-F833 PolarHBondContact O-N 2.82Å; F833-A879 HydrophobicContact CE2-CB 3.91Å; F833-M880 HydrophobicContact CE1-CG 4.48Å; F833-M880 HydrophobicContact CE2-CG 4.12Å; F833-M880 HydrophobicContact CZ-CG 3.69Å; F833-H883 HydrophobicContact CB-CB 4.09Å; F833-H883 HydrophobicContact CD2-CB 4.09Å; F833-H883 HydrophobicContact CG-CB 4.17Å
834H83.5Confident78Confident54 Ų5458.1 Ų58.125%0.2530%0.304CS..PPolyproline II helixtrans-96.8150.9-178.7-71.4-57.6000111.3H788 F791 P832H788-H834 PolarHBondContact O-CE1 2.84Å; H788-H834 VanDerWaalsContact O-CE1 3.29Å; F791-H834 PolarHBondContact O-CD2 3.17Å; F791-H834 VanDerWaalsContact O-CD2 3.3Å; P832-H834 PolarHBondContact O-CD2 3.28Å; P832-H834 PolarHBondContact O-N 3.46Å; P832-H834 VanDerWaalsContact O-N 3.16Å
835K82.7Confident79.4Confident103 Ų10351.9 Ų51.945%0.44827%0.267SS..PPolyproline II helixtrans-79.6129.1178.4-62.1177.8-172.6-165.60108.7D886 D890K835-D886 WeakPolarHBondContact CE-OD2 3.4Å; K835-D886 IonicContact NZ-OD1 3.58Å; K835-D886 IonicContact NZ-OD2 3.2Å; K835-D886 PolarHBondContact NZ-OD2 3Å; K835-D890 WeakPolarHBondContact CD-OD2 3.36Å; K835-D890 VanDerWaalsContact CE-OD2 3.25Å; K835-D890 WeakPolarHBondContact CE-OD2 3.38Å; K835-D890 IonicContact NZ-OD1 2.78Å; K835-D890 IonicContact NZ-OD2 2.7Å; K835-D890 PolarHBondContact NZ-OD2 3.38Å
836P88.3Confident81.1Confident26 Ų2647.3 Ų47.317%0.16924%0.242CC..PPolyproline II helixtrans-70.2162-177.834.4-40.6000111.3D705 R707 R887D705-P836 HydrophobicContact CB-CB 4.3Å; D705-P836 HydrophobicContact CB-CG 4.26Å; D705-P836 WeakPolarHBondContact O-CB 3.41Å; D705-P836 WeakPolarHBondContact OD1-CG 3.17Å; R707-P836 HydrophobicContact CG-CB 4.15Å; P836-R887 VanDerWaalsContact CD-CD 3.46Å
837K87.2Confident82.7Confident91 Ų9147.4 Ų47.440%0.39624%0.243SC..PPolyproline II helixtrans-57.8150170.7-74.8-167.8172-168.30111.4R707 L712 E716R707-K837 HydrophobicContact CG-CB 4.36Å; R707-K837 PolarHBondContact NE-O 2.91Å; L712-K837 HydrophobicContact CD2-CD 3.89Å; E716-K837 IonicContact OE1-NZ 2.63Å; E716-K837 PolarHBondContact OE1-NZ 3.17Å; E716-K837 IonicContact OE2-NZ 3.73Å; E716-K837 PolarHBondContact OE2-NZ 3.09Å
838Q85.4Confident84.1Confident188 Ų18848.1 Ų48.188%0.87924%0.237SC*.PPolyproline II helixtrans-57.7140173.8-64.1-173.314.700110.8
839L89.6Confident85.4Confident14 Ų1447 Ų477%0.07323%0.229CC..PPolyproline II helixtrans-75.6145.9-177.8-73166.8000112.7L710 F843 L846 D847L710-L839 HydrophobicContact CD1-CD2 3.91Å; L839-F843 HydrophobicContact CD2-CB 4.39Å; L839-L846 HydrophobicContact CD1-CB 3.89Å; L839-L846 HydrophobicContact CD1-CD2 4.03Å; L839-L846 HydrophobicContact CD1-CG 4.4Å; L839-L846 HydrophobicContact CD2-CD2 4.04Å; L839-D847 WeakPolarHBondContact CD1-OD2 3.27Å
840P88Confident86.2Confident26 Ų2646.8 Ų46.817%0.16923%0.228CC..PPolyproline II helixtrans-53.1151.4166.2-24.533.8000112.1M568 D842 F843 R844M568-P840 HydrophobicContact CE-CB 4.07Å; M568-P840 HydrophobicContact CE-CG 4.1Å; M568-P840 HydrophobicContact SD-CB 4.36Å; M568-P840 HydrophobicContact SD-CG 3.77Å; P840-D842 VanDerWaalsContact C-N 3.32Å; P840-D842 PolarHBondContact O-N 3.42Å; P840-F843 HydrophobicContact CB-CD2 4.37Å; P840-F843 PolarHBondContact O-N 3.27Å; P840-R844 PolarHBondContact O-N 3.26Å
841P84.3Confident86.3Confident90 Ų9047.5 Ų47.558%0.58423%0.232SC*.G310 helixtrans-52.1-44.1-173.2-28.835.8000114.8F843 R844P841-F843 VanDerWaalsContact C-N 3.27Å; P841-F843 PolarHBondContact O-N 3.45Å; P841-R844 WeakPolarHBondContact O-CG 3.18Å
842D83.3Confident86.4Confident42 Ų4246.8 Ų46.823%0.22523%0.227CC..G310 helixtrans-63-29.9179.8-82.323.8000113.6N573 I574 P840N573-D842 VanDerWaalsContact CA-OD2 3.29Å; N573-D842 WeakPolarHBondContact CA-OD2 3.31Å; N573-D842 PolarHBondContact ND2-OD1 2.76Å; N573-D842 PolarHBondContact ND2-OD2 3.35Å; I574-D842 HydrophobicContact CG2-CB 4.03Å; I574-D842 PolarHBondContact N-OD2 2.92Å; P840-D842 VanDerWaalsContact C-N 3.32Å; P840-D842 PolarHBondContact O-N 3.42Å
843F91.2Very high86.1Confident1 Ų152.6 Ų52.60%0.00425%0.249CC..G310 helixtrans-96.6-0.7-171.9-75.6-92.7000114.1M568 I574 F640 V644 A647 L710 L839 P840 P841 G845 L846M568-F843 HydrophobicContact CE-CD2 3.91Å; M568-F843 HydrophobicContact CE-CE2 3.56Å; I574-F843 HydrophobicContact CD1-CE1 4.37Å; I574-F843 HydrophobicContact CD1-CE2 4.33Å; I574-F843 HydrophobicContact CD1-CZ 3.69Å; F640-F843 HydrophobicContact CE2-CE1 4.11Å; F640-F843 AromaticContact CE2-CZ 3.86Å; F640-F843 HydrophobicContact CE2-CZ 3.86Å; F640-F843 HydrophobicContact CZ-CE1 4.27Å; F640-F843 AromaticContact CZ-CZ 3.75Å; F640-F843 HydrophobicContact CZ-CZ 3.75Å; V644-F843 HydrophobicContact CB-CE1 4.47Å; V644-F843 HydrophobicContact CG2-CE1 3.66Å; V644-F843 HydrophobicContact CG2-CZ 3.89Å; A647-F843 HydrophobicContact CB-CD1 4.14Å; L710-F843 HydrophobicContact CD1-CD1 4.22Å; L710-F843 HydrophobicContact CD2-CB 4.2Å; L710-F843 HydrophobicContact CD2-CD1 3.48Å; L710-F843 VanDerWaalsContact CD2-CD1 3.48Å; L710-F843 HydrophobicContact CD2-CD2 3.73Å; L710-F843 HydrophobicContact CD2-CE1 3.65Å; L710-F843 HydrophobicContact CD2-CE2 3.91Å; L710-F843 HydrophobicContact CD2-CG 3.51Å; L710-F843 HydrophobicContact CD2-CZ 3.86Å; L839-F843 HydrophobicContact CD2-CB 4.39Å; P840-F843 HydrophobicContact CB-CD2 4.37Å; P840-F843 PolarHBondContact O-N 3.27Å; P841-F843 VanDerWaalsContact C-N 3.27Å; P841-F843 PolarHBondContact O-N 3.45Å; F843-G845 PolarHBondContact O-N 2.98Å; F843-L846 VanDerWaalsContact O-CB 3.23Å; F843-L846 WeakPolarHBondContact O-CB 3.35Å; F843-L846 PolarHBondContact O-N 3.25Å
844R85.2Confident85.8Confident133 Ų13355.1 Ų55.150%0.50226%0.261SS..G310 helixtrans-55.3-21177.4-69.9177.8178.5164.92.5114.4P840 P841 L846 D847P840-R844 PolarHBondContact O-N 3.26Å; P841-R844 WeakPolarHBondContact O-CG 3.18Å; R844-L846 PolarHBondContact O-N 3.42Å; R844-D847 PolarHBondContact O-N 2.95Å
845G83Confident85.9Confident6 Ų652.7 Ų52.76%0.06225%0.25CC..G310 helixtrans-59.5-25.8172.700000114.1F843 D847 H848F843-G845 PolarHBondContact O-N 2.98Å; G845-D847 VanDerWaalsContact C-N 3.32Å; G845-D847 PolarHBondContact O-N 3.15Å; G845-H848 WeakPolarHBondContact O-CB 3.5Å; G845-H848 PolarHBondContact O-N 2.84Å
846L90Very high85.9Confident0 Ų048.3 Ų48.30%023%0.231CC..G310 helixtrans-60.8-40177-173.866.7000112Q643 T646 A647 V703 L704 L710 L839 F843 R844 H848 V849Q643-L846 HydrophobicContact CB-CD1 4.43Å; Q643-L846 HydrophobicContact CB-CD2 4.46Å; Q643-L846 HydrophobicContact CG-CD1 4.29Å; Q643-L846 HydrophobicContact CG-CD2 4.14Å; T646-L846 HydrophobicContact CG2-CD1 3.77Å; A647-L846 HydrophobicContact CB-CB 4.36Å; V703-L846 HydrophobicContact CG1-CD1 3.86Å; L704-L846 HydrophobicContact CD2-CD1 4Å; L704-L846 HydrophobicContact CD2-CG 4.06Å; L710-L846 HydrophobicContact CD1-CD2 4.32Å; L839-L846 HydrophobicContact CD1-CB 3.89Å; L839-L846 HydrophobicContact CD1-CD2 4.03Å; L839-L846 HydrophobicContact CD1-CG 4.4Å; L839-L846 HydrophobicContact CD2-CD2 4.04Å; F843-L846 VanDerWaalsContact O-CB 3.23Å; F843-L846 WeakPolarHBondContact O-CB 3.35Å; F843-L846 PolarHBondContact O-N 3.25Å; R844-L846 PolarHBondContact O-N 3.42Å; L846-H848 PolarHBondContact O-N 3.38Å; L846-V849 WeakPolarHBondContact O-CG2 3.31Å; L846-V849 PolarHBondContact O-N 3.21Å
847D88.3Confident85.5Confident23 Ų2352.2 Ų52.212%0.12324%0.243CC..G310 helixtrans-68.1-17176.7-84-32.7000112.6L839 R844 G845 V849 L850 H851 R887 T891L839-D847 WeakPolarHBondContact CD1-OD2 3.27Å; R844-D847 PolarHBondContact O-N 2.95Å; G845-D847 VanDerWaalsContact C-N 3.32Å; G845-D847 PolarHBondContact O-N 3.15Å; D847-V849 PolarHBondContact O-N 3.49Å; D847-L850 WeakPolarHBondContact O-CB 3.1Å; D847-L850 PolarHBondContact O-N 2.87Å; D847-L850 VanDerWaalsContact O-N 3.15Å; D847-H851 PolarHBondContact O-CD2 3.04Å; D847-R887 IonicContact OD1-NH2 3.47Å; D847-R887 PolarHBondContact OD1-NH2 3.33Å; D847-T891 HydrophobicContact CB-CG2 3.77Å
848H87Confident85.2Confident100 Ų10048.4 Ų48.446%0.46323%0.227SC..G310 helixtrans-63.4-21.9176.2-60171.5000112.8P651 G845 L846 L850 H851 S852P651-H848 HydrophobicContact CG-CB 4.05Å; G845-H848 WeakPolarHBondContact O-CB 3.5Å; G845-H848 PolarHBondContact O-N 2.84Å; L846-H848 PolarHBondContact O-N 3.38Å; H848-L850 VanDerWaalsContact C-N 3.29Å; H848-L850 PolarHBondContact O-N 2.98Å; H848-H851 PolarHBondContact O-N 2.85Å; H848-S852 PolarHBondContact O-N 3.33Å
849V89.9Confident85.1Confident0 Ų039.9 Ų39.90%019%0.187CC..G310 helixtrans-61.1-39.3175.3-177.10000111.2T646 P651 F654 L655 L700 L704 L846 D847 H851 S852 L855T646-V849 HydrophobicContact CG2-CG2 3.49Å; T646-V849 VanDerWaalsContact CG2-CG2 3.49Å; P651-V849 HydrophobicContact CB-CB 4.46Å; P651-V849 HydrophobicContact CB-CG2 4.04Å; P651-V849 HydrophobicContact CG-CG2 4.25Å; F654-V849 HydrophobicContact CD1-CG1 4.27Å; F654-V849 HydrophobicContact CD1-CG2 4.15Å; F654-V849 HydrophobicContact CE1-CG1 4.35Å; L655-V849 HydrophobicContact CD1-CG1 4.26Å; L655-V849 HydrophobicContact CD2-CG1 4.02Å; L655-V849 HydrophobicContact CG-CG1 4.23Å; L700-V849 HydrophobicContact CD1-CG1 4.37Å; L704-V849 HydrophobicContact CD1-CG1 4.3Å; L704-V849 HydrophobicContact CD2-CB 3.96Å; L704-V849 HydrophobicContact CD2-CG1 4.35Å; L704-V849 HydrophobicContact CD2-CG2 4.18Å; L846-V849 WeakPolarHBondContact O-CG2 3.31Å; L846-V849 PolarHBondContact O-N 3.21Å; D847-V849 PolarHBondContact O-N 3.49Å; V849-H851 PolarHBondContact O-N 3.39Å; V849-S852 WeakPolarHBondContact O-CB 3.33Å; V849-S852 PolarHBondContact O-N 2.65Å; V849-S852 VanDerWaalsContact O-N 3.09Å; V849-S852 PolarHBondContact O-OG 2.69Å; V849-L855 HydrophobicContact CG1-CD2 4.36Å; V849-L855 WeakPolarHBondContact O-CD2 3.35Å
850L89Confident84.8Confident2 Ų241.9 Ų41.91%0.0120%0.195CC..G310 helixtrans-62.6-22.8177.7-64.4171.5000113.3L704 D847 H848 H856 L884 R887 A888L704-L850 HydrophobicContact CD1-CD2 3.85Å; L704-L850 HydrophobicContact CD1-CG 4.32Å; D847-L850 WeakPolarHBondContact O-CB 3.1Å; D847-L850 PolarHBondContact O-N 2.87Å; D847-L850 VanDerWaalsContact O-N 3.15Å; H848-L850 VanDerWaalsContact C-N 3.29Å; H848-L850 PolarHBondContact O-N 2.98Å; L850-H856 PolarHBondContact O-NE2 3.48Å; L850-L884 HydrophobicContact CD2-CD2 4.15Å; L850-R887 HydrophobicContact CD1-CB 4.01Å; L850-R887 HydrophobicContact CD2-CB 4.21Å; L850-A888 HydrophobicContact CB-CB 3.96Å
851H83.9Confident84.4Confident28 Ų2840.7 Ų40.713%0.1319%0.188CC..G310 helixtrans-106.49.7179.1-56.3-72.9000112.9D847 H848 V849 H856 A888 T891D847-H851 PolarHBondContact O-CD2 3.04Å; H848-H851 PolarHBondContact O-N 2.85Å; V849-H851 PolarHBondContact O-N 3.39Å; H851-H856 VanDerWaalsContact C-CE1 3.42Å; H851-H856 PolarHBondContact O-CE1 3.49Å; H851-A888 PolarHBondContact CE1-O 2.69Å; H851-A888 VanDerWaalsContact CE1-O 3.3Å; H851-T891 PolarHBondContact CE1-O 2.88Å; H851-T891 VanDerWaalsContact CE1-O 3.22Å; H851-T891 PolarHBondContact NE2-O 3.11Å
852S84.1Confident84.4Confident14 Ų1436.5 Ų36.510%0.09816%0.16CC..  trans-82.4130.6-178.972.40000112.1L655 H848 V849 H854 L855 H856L655-S852 VanDerWaalsContact CD1-OG 3.32Å; L655-S852 WeakPolarHBondContact CD1-OG 3.2Å; H848-S852 PolarHBondContact O-N 3.33Å; V849-S852 WeakPolarHBondContact O-CB 3.33Å; V849-S852 PolarHBondContact O-N 2.65Å; V849-S852 VanDerWaalsContact O-N 3.09Å; V849-S852 PolarHBondContact O-OG 2.69Å; S852-H854 PolarHBondContact O-N 2.88Å; S852-L855 PolarHBondContact O-N 2.87Å; S852-L855 WeakPolarHBondContact OG-CB 3.48Å; S852-L855 PolarHBondContact OG-N 3.32Å; S852-H856 PolarHBondContact O-N 3.46Å; S852-H856 VanDerWaalsContact O-N 3.07Å
853R78.2Confident84.5Confident128 Ų12834.5 Ų34.548%0.48315%0.149SC..Hα-helixtrans-55.3-28.2177.4-58.4-175.5-167.2138.36.6113Y857 M1129R853-Y857 WeakPolarHBondContact O-CB 3.36Å; R853-Y857 PolarHBondContact O-N 3.08Å; R853-M1129 PolarHBondContact NE-O 3.16Å; R853-M1129 VanDerWaalsContact NE-O 3.13Å; R853-M1129 PolarHBondContact NH2-O 3.23Å
854H79.5Confident84Confident89 Ų8934.7 Ų34.741%0.41215%0.151SC..Hα-helixtrans-65.6-47.9175.5-74.167.3000111.5L655 S852 Y857 I858L655-H854 HydrophobicContact CD1-CB 3.8Å; S852-H854 PolarHBondContact O-N 2.88Å; H854-Y857 PolarHBondContact O-N 3.41Å; H854-I858 WeakPolarHBondContact O-CG1 2.96Å; H854-I858 PolarHBondContact O-N 2.89Å; H854-I858 VanDerWaalsContact O-N 3.13Å
855L85.2Confident83.8Confident2 Ų228.5 Ų28.51%0.0113%0.128CC..Hα-helixtrans-66.2-38.3175.5-178.161.4000111.5L655 W696 L700 V849 S852 Y857 I858 I859L655-L855 HydrophobicContact CD1-CB 3.92Å; L655-L855 HydrophobicContact CD2-CD1 4.4Å; W696-L855 HydrophobicContact CH2-CD1 4.42Å; L700-L855 HydrophobicContact CD2-CD1 3.75Å; V849-L855 HydrophobicContact CG1-CD2 4.36Å; V849-L855 WeakPolarHBondContact O-CD2 3.35Å; S852-L855 PolarHBondContact O-N 2.87Å; S852-L855 WeakPolarHBondContact OG-CB 3.48Å; S852-L855 PolarHBondContact OG-N 3.32Å; L855-Y857 VanDerWaalsContact C-N 3.34Å; L855-Y857 PolarHBondContact O-N 3.3Å; L855-I858 PolarHBondContact O-N 3.38Å; L855-I859 HydrophobicContact CD1-CD1 4.1Å; L855-I859 HydrophobicContact CD1-CG1 4.2Å; L855-I859 HydrophobicContact CD2-CD1 4.33Å; L855-I859 HydrophobicContact CG-CD1 3.83Å; L855-I859 HydrophobicContact CG-CG1 4.33Å; L855-I859 WeakPolarHBondContact O-CB 3.37Å; L855-I859 WeakPolarHBondContact O-CG1 3.06Å; L855-I859 PolarHBondContact O-N 3.27Å
856H83.1Confident84Confident11 Ų1128.9 Ų28.95%0.05113%0.128CC..Hα-helixtrans-62.1-40.8177.4-58.1156.6000112.4L850 H851 S852 I859 F860 M1179L850-H856 PolarHBondContact O-NE2 3.48Å; H851-H856 VanDerWaalsContact C-CE1 3.42Å; H851-H856 PolarHBondContact O-CE1 3.49Å; S852-H856 PolarHBondContact O-N 3.46Å; S852-H856 VanDerWaalsContact O-N 3.07Å; H856-I859 PolarHBondContact O-N 3.29Å; H856-F860 VanDerWaalsContact O-CB 3.31Å; H856-F860 WeakPolarHBondContact O-CB 3.21Å; H856-F860 PolarHBondContact O-N 2.9Å; H856-M1179 HydrophobicContact CB-SD 3.99Å
857Y79.7Confident83.7Confident108 Ų10830 Ų3042%0.42413%0.134SC..Hα-helixtrans-62.1-46173.4-179-106000112.1R853 H854 L855 I859 F860 I861R853-Y857 WeakPolarHBondContact O-CB 3.36Å; R853-Y857 PolarHBondContact O-N 3.08Å; H854-Y857 PolarHBondContact O-N 3.41Å; L855-Y857 VanDerWaalsContact C-N 3.34Å; L855-Y857 PolarHBondContact O-N 3.3Å; Y857-I859 PolarHBondContact O-N 2.9Å; Y857-F860 PolarHBondContact O-N 3.37Å; Y857-I861 HydrophobicContact CD1-CD1 4.07Å; Y857-I861 HydrophobicContact CD2-CD1 4.35Å; Y857-I861 HydrophobicContact CE1-CD1 3.59Å; Y857-I861 HydrophobicContact CE2-CD1 3.9Å; Y857-I861 HydrophobicContact CG-CD1 4.43Å; Y857-I861 VanDerWaalsContact CZ-CD1 3.5Å; Y857-I861 WeakPolarHBondContact O-CG1 3.36Å; Y857-I861 PolarHBondContact O-N 3.43Å
858I80.4Confident83.3Confident12 Ų1236.5 Ų36.56%0.06216%0.158CC..Hα-helixtrans-61.1-45.6176.8-67.7166.8000111.2F670 W696 H854 L855 I861 Q862F670-I858 HydrophobicContact CD2-CG1 4.2Å; F670-I858 HydrophobicContact CE1-CG2 4.33Å; F670-I858 HydrophobicContact CE2-CD1 4.43Å; F670-I858 HydrophobicContact CE2-CG1 3.97Å; F670-I858 HydrophobicContact CE2-CG2 4.05Å; F670-I858 HydrophobicContact CZ-CG2 3.83Å; W696-I858 HydrophobicContact CH2-CD1 4.18Å; W696-I858 HydrophobicContact CH2-CG2 3.83Å; W696-I858 HydrophobicContact CZ2-CD1 4.34Å; W696-I858 HydrophobicContact CZ3-CG2 4.03Å; H854-I858 WeakPolarHBondContact O-CG1 2.96Å; H854-I858 PolarHBondContact O-N 2.89Å; H854-I858 VanDerWaalsContact O-N 3.13Å; L855-I858 PolarHBondContact O-N 3.38Å; I858-I861 PolarHBondContact O-N 2.91Å; I858-Q862 WeakPolarHBondContact O-CG 3.18Å; I858-Q862 PolarHBondContact O-N 3.41Å; I858-Q862 VanDerWaalsContact O-N 3.09Å
859I84.9Confident82.8Confident9 Ų933.2 Ų33.25%0.04615%0.151CC..Hα-helixtrans-63-44.5177.2-75.8175.2000111.6L855 H856 Y857 I861 Q862 L863 I881 I885L855-I859 HydrophobicContact CD1-CD1 4.1Å; L855-I859 HydrophobicContact CD1-CG1 4.2Å; L855-I859 HydrophobicContact CD2-CD1 4.33Å; L855-I859 HydrophobicContact CG-CD1 3.83Å; L855-I859 HydrophobicContact CG-CG1 4.33Å; L855-I859 WeakPolarHBondContact O-CB 3.37Å; L855-I859 WeakPolarHBondContact O-CG1 3.06Å; L855-I859 PolarHBondContact O-N 3.27Å; H856-I859 PolarHBondContact O-N 3.29Å; Y857-I859 PolarHBondContact O-N 2.9Å; I859-I861 VanDerWaalsContact C-N 3.27Å; I859-I861 PolarHBondContact O-N 2.87Å; I859-Q862 PolarHBondContact O-N 3.38Å; I859-L863 HydrophobicContact CG2-CD1 3.92Å; I859-L863 HydrophobicContact CG2-CG 4.34Å; I859-L863 WeakPolarHBondContact O-CB 3.49Å; I859-L863 WeakPolarHBondContact O-CG 3.34Å; I859-L863 PolarHBondContact O-N 2.96Å; I859-I881 HydrophobicContact CG1-CG2 4.39Å; I859-I881 HydrophobicContact CG2-CG2 3.91Å; I859-I885 HydrophobicContact CD1-CG1 4.42Å; I859-I885 HydrophobicContact CG2-CD1 3.86Å; I859-I885 HydrophobicContact CG2-CG1 4.19Å
860F83.4Confident82.2Confident56 Ų5634.5 Ų34.525%0.24616%0.159CC..Hα-helixtrans-56.3-41.4177.4166.2-101.3000111.9H856 Y857 S864 I1183 L1186H856-F860 VanDerWaalsContact O-CB 3.31Å; H856-F860 WeakPolarHBondContact O-CB 3.21Å; H856-F860 PolarHBondContact O-N 2.9Å; Y857-F860 PolarHBondContact O-N 3.37Å; F860-S864 WeakPolarHBondContact O-CB 3.33Å; F860-S864 PolarHBondContact O-N 3.31Å; F860-S864 PolarHBondContact O-OG 2.69Å; F860-I1183 HydrophobicContact CB-CD1 4.48Å; F860-I1183 HydrophobicContact CB-CG1 4.28Å; F860-I1183 HydrophobicContact CD2-CG1 4.22Å; F860-L1186 HydrophobicContact CD2-CD1 3.53Å; F860-L1186 HydrophobicContact CE2-CD1 3.55Å; F860-L1186 HydrophobicContact CG-CD1 4.49Å
861I79.2Confident81.6Confident1 Ų138.5 Ų38.51%0.00519%0.185CC..Hα-helixtrans-73.4-42.1-179.5-62.9174.9000111.4F670 L674 Y857 I858 I859 L863 S864 L865F670-I861 HydrophobicContact CB-CB 4.38Å; F670-I861 HydrophobicContact CB-CD1 3.6Å; F670-I861 HydrophobicContact CB-CG2 4.01Å; F670-I861 HydrophobicContact CD1-CG2 4.16Å; F670-I861 WeakPolarHBondContact O-CG2 3.35Å; L674-I861 HydrophobicContact CD1-CB 4.28Å; L674-I861 HydrophobicContact CD1-CD1 4.04Å; L674-I861 HydrophobicContact CD1-CG1 3.71Å; L674-I861 HydrophobicContact CD1-CG2 3.8Å; L674-I861 HydrophobicContact CG-CG2 4.34Å; Y857-I861 HydrophobicContact CD1-CD1 4.07Å; Y857-I861 HydrophobicContact CD2-CD1 4.35Å; Y857-I861 HydrophobicContact CE1-CD1 3.59Å; Y857-I861 HydrophobicContact CE2-CD1 3.9Å; Y857-I861 HydrophobicContact CG-CD1 4.43Å; Y857-I861 VanDerWaalsContact CZ-CD1 3.5Å; Y857-I861 WeakPolarHBondContact O-CG1 3.36Å; Y857-I861 PolarHBondContact O-N 3.43Å; I858-I861 PolarHBondContact O-N 2.91Å; I859-I861 VanDerWaalsContact C-N 3.27Å; I859-I861 PolarHBondContact O-N 2.87Å; I861-L863 VanDerWaalsContact C-N 3.35Å; I861-L863 PolarHBondContact O-N 3.32Å; I861-S864 WeakPolarHBondContact O-CB 3.42Å; I861-S864 PolarHBondContact O-N 2.91Å; I861-S864 VanDerWaalsContact O-N 3.12Å; I861-L865 HydrophobicContact CG2-CD1 3.91Å; I861-L865 HydrophobicContact CG2-CG 4.36Å; I861-L865 WeakPolarHBondContact O-CG 3.11Å; I861-L865 PolarHBondContact O-N 3.07Å
862Q83.9Confident81.2Confident1 Ų137.3 Ų37.31%0.00518%0.179CC..Hα-helixtrans-64.4-38.7176.8-66.3171.717.300112F670 L693 I858 I859 F866 V873 I881F670-Q862 HydrophobicContact CE1-CG 4.19Å; L693-Q862 HydrophobicContact CD1-CG 4.49Å; L693-Q862 HydrophobicContact CD2-CG 4.43Å; I858-Q862 WeakPolarHBondContact O-CG 3.18Å; I858-Q862 PolarHBondContact O-N 3.41Å; I858-Q862 VanDerWaalsContact O-N 3.09Å; I859-Q862 PolarHBondContact O-N 3.38Å; Q862-F866 PolarHBondContact O-N 3.29Å; Q862-F866 VanDerWaalsContact O-N 3.08Å; Q862-V873 HydrophobicContact CB-CG2 4.38Å; Q862-I881 HydrophobicContact CB-CD1 3.59Å; Q862-I881 HydrophobicContact CG-CD1 4.47Å; Q862-I881 VanDerWaalsContact OE1-CD1 3.29Å
863L84.4Confident81.2Confident0 Ų037 Ų370%018%0.176CC..Hα-helixtrans-64.2-38.9170.8-72.3176000112.2I859 I861 V867 L878 I881 I885 I1183 L1186 L1187I859-L863 HydrophobicContact CG2-CD1 3.92Å; I859-L863 HydrophobicContact CG2-CG 4.34Å; I859-L863 WeakPolarHBondContact O-CB 3.49Å; I859-L863 WeakPolarHBondContact O-CG 3.34Å; I859-L863 PolarHBondContact O-N 2.96Å; I861-L863 VanDerWaalsContact C-N 3.35Å; I861-L863 PolarHBondContact O-N 3.32Å; L863-V867 WeakPolarHBondContact O-CB 3.31Å; L863-V867 VanDerWaalsContact O-CG2 3.29Å; L863-V867 WeakPolarHBondContact O-CG2 3.41Å; L863-V867 PolarHBondContact O-N 2.74Å; L863-L878 HydrophobicContact CD2-CD1 3.59Å; L863-I881 HydrophobicContact CD2-CG2 4.02Å; L863-I881 HydrophobicContact CG-CG2 4.13Å; L863-I885 HydrophobicContact CD1-CD1 4.08Å; L863-I1183 HydrophobicContact CD1-CG2 4.06Å; L863-L1186 HydrophobicContact CB-CB 4.1Å; L863-L1186 HydrophobicContact CB-CD1 4.02Å; L863-L1187 HydrophobicContact CD1-CD2 4.27Å; L863-L1187 HydrophobicContact CD1-CG 4.46Å; L863-L1187 HydrophobicContact CD2-CD2 4.26Å
864S80.9Confident81.6Confident6 Ų632.7 Ų32.74%0.04217%0.165CC..Hα-helixtrans-61.3-50.7175.7-61.10000111.4F860 I861 F866 V867 Y868 L1186F860-S864 WeakPolarHBondContact O-CB 3.33Å; F860-S864 PolarHBondContact O-N 3.31Å; F860-S864 PolarHBondContact O-OG 2.69Å; I861-S864 WeakPolarHBondContact O-CB 3.42Å; I861-S864 PolarHBondContact O-N 2.91Å; I861-S864 VanDerWaalsContact O-N 3.12Å; S864-F866 PolarHBondContact O-N 2.79Å; S864-V867 PolarHBondContact O-N 2.83Å; S864-V867 VanDerWaalsContact O-N 3.17Å; S864-Y868 WeakPolarHBondContact O-CD2 3.1Å; S864-Y868 PolarHBondContact O-N 3.32Å; S864-L1186 WeakPolarHBondContact OG-CD1 3.32Å
865L82.4Confident81.8Confident2 Ų231.8 Ų31.81%0.0116%0.16CC..Hα-helixtrans-57.1-46.8178.3-72.3163.6000111.7E673 L677 I861 V867 Y868 G869 D870 L872 V873E673-L865 HydrophobicContact CB-CD2 4.14Å; L677-L865 HydrophobicContact CD1-CD2 4.22Å; I861-L865 HydrophobicContact CG2-CD1 3.91Å; I861-L865 HydrophobicContact CG2-CG 4.36Å; I861-L865 WeakPolarHBondContact O-CG 3.11Å; I861-L865 PolarHBondContact O-N 3.07Å; L865-V867 PolarHBondContact O-N 3.39Å; L865-Y868 PolarHBondContact O-N 3.25Å; L865-G869 PolarHBondContact O-N 3Å; L865-D870 HydrophobicContact CB-CB 4.08Å; L865-D870 HydrophobicContact CD2-CB 3.86Å; L865-D870 PolarHBondContact O-N 3.19Å; L865-L872 HydrophobicContact CD1-CD2 4.17Å; L865-V873 HydrophobicContact CB-CG2 3.74Å; L865-V873 HydrophobicContact CD1-CG2 4.33Å
866F86.1Confident81.7Confident15 Ų1536.6 Ų36.67%0.06618%0.183CC..Hα-helixtrans-60-44.9175-179.4-92.7000112.7Q862 S864 G869 V873 E875 L878 A1190 R1193 L1194Q862-F866 PolarHBondContact O-N 3.29Å; Q862-F866 VanDerWaalsContact O-N 3.08Å; S864-F866 PolarHBondContact O-N 2.79Å; F866-G869 PolarHBondContact O-N 2.74Å; F866-V873 HydrophobicContact CB-CB 4.12Å; F866-V873 HydrophobicContact CB-CG1 3.98Å; F866-V873 HydrophobicContact CD2-CG1 4.42Å; F866-V873 WeakPolarHBondContact CD2-O 3.4Å; F866-E875 HydrophobicContact CE2-CG 4.4Å; F866-L878 HydrophobicContact CD1-CD2 3.76Å; F866-L878 HydrophobicContact CD2-CB 4.42Å; F866-L878 HydrophobicContact CD2-CD2 4.01Å; F866-L878 HydrophobicContact CE1-CD2 3.5Å; F866-L878 HydrophobicContact CE2-CD2 3.77Å; F866-L878 HydrophobicContact CG-CD1 4.49Å; F866-L878 HydrophobicContact CG-CD2 4.01Å; F866-L878 HydrophobicContact CZ-CD2 3.52Å; F866-A1190 HydrophobicContact CD1-CB 3.92Å; F866-A1190 HydrophobicContact CE1-CB 4Å; F866-R1193 HydrophobicContact CE1-CB 4.49Å; F866-R1193 HydrophobicContact CE1-CG 4.43Å; F866-R1193 WeakPolarHBondContact O-CD 3.35Å; F866-R1193 PolarHBondContact O-NE 2.97Å; F866-L1194 HydrophobicContact CE1-CG 4.28Å; F866-L1194 HydrophobicContact CZ-CD2 3.81Å; F866-L1194 HydrophobicContact CZ-CG 4.06Å
867V83.6Confident82Confident22 Ų2236 Ų3613%0.13318%0.18CC..Hα-helixtrans-62.1-48.1-179.7161.90000111.4L863 S864 L865 G869 L1186 K1189 A1190 R1193L863-V867 WeakPolarHBondContact O-CB 3.31Å; L863-V867 VanDerWaalsContact O-CG2 3.29Å; L863-V867 WeakPolarHBondContact O-CG2 3.41Å; L863-V867 PolarHBondContact O-N 2.74Å; S864-V867 PolarHBondContact O-N 2.83Å; S864-V867 VanDerWaalsContact O-N 3.17Å; L865-V867 PolarHBondContact O-N 3.39Å; V867-G869 PolarHBondContact O-N 2.93Å; V867-L1186 HydrophobicContact CB-CD2 4.05Å; V867-L1186 HydrophobicContact CG1-CD2 4.18Å; V867-L1186 HydrophobicContact CG2-CB 4.48Å; V867-L1186 HydrophobicContact CG2-CD2 3.94Å; V867-L1186 WeakPolarHBondContact CG2-O 3.44Å; V867-K1189 HydrophobicContact CB-CB 4.38Å; V867-K1189 HydrophobicContact CG1-CB 3.66Å; V867-K1189 HydrophobicContact CG1-CD 4.13Å; V867-K1189 HydrophobicContact CG1-CG 4.37Å; V867-K1189 HydrophobicContact CG2-CB 3.73Å; V867-A1190 HydrophobicContact CG2-CB 4.07Å; V867-R1193 PolarHBondContact O-NH1 3.12Å
868Y80.7Confident82.5Confident160 Ų16030.9 Ų30.963%0.62716%0.16SC*.Hα-helixtrans-70-19.7176.7-71-66.1000113L677 S864 L865L677-Y868 HydrophobicContact CD1-CD2 4.05Å; L677-Y868 HydrophobicContact CD1-CG 4.33Å; S864-Y868 WeakPolarHBondContact O-CD2 3.1Å; S864-Y868 PolarHBondContact O-N 3.32Å; L865-Y868 PolarHBondContact O-N 3.25Å
869G75.8Confident82.9Confident31 Ų3130.5 Ų30.532%0.3216%0.159SC..THydrogen-bonded Turntrans94.929.617200000114.7L865 F866 V867L865-G869 PolarHBondContact O-N 3Å; F866-G869 PolarHBondContact O-N 2.74Å; V867-G869 PolarHBondContact O-N 2.93Å
870D78.3Confident83.2Confident28 Ų2830.3 Ų30.315%0.1516%0.158CC..  trans-67.8128.3170.5-165.9-55.6000110L865 L872 V873L865-D870 HydrophobicContact CB-CB 4.08Å; L865-D870 HydrophobicContact CD2-CB 3.86Å; L865-D870 PolarHBondContact O-N 3.19Å; D870-L872 PolarHBondContact O-N 3.17Å; D870-L872 VanDerWaalsContact O-N 3.09Å; D870-L872 WeakPolarHBondContact OD1-CB 2.83Å; D870-L872 PolarHBondContact OD1-N 3.4Å; D870-V873 PolarHBondContact O-N 2.88Å
871P75.1Confident83.7Confident86 Ų8627.6 Ų27.656%0.55815%0.146SC*.THydrogen-bonded Turntrans-65-8.517928.8-36.8000114.1L686 P690 V873L686-P871 HydrophobicContact CD1-CG 4.41Å; P690-P871 VanDerWaalsContact CG-O 3.31Å; P690-P871 WeakPolarHBondContact CG-O 3.35Å; P871-V873 VanDerWaalsContact C-N 3.26Å; P871-V873 PolarHBondContact O-N 2.96Å
872L77.3Confident84.2Confident2 Ų228 Ų281%0.0115%0.148CC..THydrogen-bonded Turntrans-58.8-32.8174.7-177.454.6000113.4I668 E673 K689 P690 L693 L865 D870I668-L872 HydrophobicContact CD1-CD1 3.97Å; I668-L872 HydrophobicContact CD1-CD2 4.38Å; I668-L872 HydrophobicContact CG2-CD2 4.07Å; E673-L872 HydrophobicContact CG-CD2 4.09Å; K689-L872 HydrophobicContact CB-CD1 3.6Å; K689-L872 HydrophobicContact CD-CD1 4.46Å; P690-L872 WeakPolarHBondContact CA-O 3.46Å; L693-L872 HydrophobicContact CD2-CG 4.37Å; L865-L872 HydrophobicContact CD1-CD2 4.17Å; D870-L872 PolarHBondContact O-N 3.17Å; D870-L872 VanDerWaalsContact O-N 3.09Å; D870-L872 WeakPolarHBondContact OD1-CB 2.83Å; D870-L872 PolarHBondContact OD1-N 3.4Å
873V83.6Confident84.6Confident7 Ų728.5 Ų28.54%0.04215%0.15CC..SBendtrans-110.4101.8-176.9-170.90000109.9L693 Q862 L865 F866 D870 P871 I881L693-V873 HydrophobicContact CD2-CG2 3.89Å; Q862-V873 HydrophobicContact CB-CG2 4.38Å; L865-V873 HydrophobicContact CB-CG2 3.74Å; L865-V873 HydrophobicContact CD1-CG2 4.33Å; F866-V873 HydrophobicContact CB-CB 4.12Å; F866-V873 HydrophobicContact CB-CG1 3.98Å; F866-V873 HydrophobicContact CD2-CG1 4.42Å; F866-V873 WeakPolarHBondContact CD2-O 3.4Å; D870-V873 PolarHBondContact O-N 2.88Å; P871-V873 VanDerWaalsContact C-N 3.26Å; P871-V873 PolarHBondContact O-N 2.96Å; V873-I881 HydrophobicContact CG1-CD1 4.2Å
874T85.6Confident85Confident39 Ų3928.6 Ų28.624%0.23915%0.15CC..  trans-7816717977.30000112.4P690 E876 S877 L878P690-T874 HydrophobicContact CB-CG2 3.7Å; T874-E876 VanDerWaalsContact C-N 3.27Å; T874-E876 WeakPolarHBondContact CB-OE2 3.49Å; T874-E876 PolarHBondContact O-N 3.48Å; T874-E876 PolarHBondContact OG1-N 3.19Å; T874-E876 PolarHBondContact OG1-OE2 3.36Å; T874-S877 WeakPolarHBondContact O-CB 3.4Å; T874-S877 PolarHBondContact O-N 2.89Å; T874-S877 PolarHBondContact OG1-N 2.84Å; T874-S877 PolarHBondContact OG1-OG 2.94Å; T874-L878 PolarHBondContact O-N 2.79Å
875E84.3Confident85.4Confident69 Ų6928.4 Ų28.432%0.32215%0.149SC..Hα-helixtrans-61.3-33.8173.2-81-159.3-147.800112.7W830 F866 L878 A879 L1194W830-E875 PolarHBondContact NE1-OE2 2.97Å; F866-E875 HydrophobicContact CE2-CG 4.4Å; E875-L878 PolarHBondContact O-N 3.47Å; E875-A879 WeakPolarHBondContact O-CB 3.42Å; E875-A879 PolarHBondContact O-N 2.85Å; E875-L1194 HydrophobicContact CG-CD2 3.98Å; E875-L1194 WeakPolarHBondContact OE1-CD2 3.35Å
876E83.2Confident85.6Confident103 Ų10329.9 Ų29.948%0.48116%0.157SC..Hα-helixtrans-67.2-40.7174.9-53.682.3177.600111.5T874 L878 A879 M880T874-E876 VanDerWaalsContact C-N 3.27Å; T874-E876 WeakPolarHBondContact CB-OE2 3.49Å; T874-E876 PolarHBondContact O-N 3.48Å; T874-E876 PolarHBondContact OG1-N 3.19Å; T874-E876 PolarHBondContact OG1-OE2 3.36Å; E876-L878 VanDerWaalsContact C-N 3.35Å; E876-A879 PolarHBondContact O-N 3.16Å; E876-M880 WeakPolarHBondContact O-CG 3.3Å; E876-M880 PolarHBondContact O-N 3.28Å
877S88.5Confident85.7Confident0 Ų030 Ų300%016%0.157CC..Hα-helixtrans-62.4-43.8173.6-59.50000110.7T874 A879 M880 I881T874-S877 WeakPolarHBondContact O-CB 3.4Å; T874-S877 PolarHBondContact O-N 2.89Å; T874-S877 PolarHBondContact OG1-N 2.84Å; T874-S877 PolarHBondContact OG1-OG 2.94Å; S877-A879 PolarHBondContact O-N 2.84Å; S877-M880 PolarHBondContact O-N 3.17Å; S877-I881 WeakPolarHBondContact O-CG1 3.3Å; S877-I881 PolarHBondContact O-N 3.04Å
878L90.8Very high85.8Confident0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-61.2-43.7175-177.264.4000112.2W830 L863 F866 T874 E875 E876 M880 I881 I882 L1194 I1402W830-L878 HydrophobicContact CH2-CB 4.42Å; W830-L878 HydrophobicContact CH2-CD2 3.87Å; W830-L878 HydrophobicContact CH2-CG 3.82Å; W830-L878 HydrophobicContact CZ2-CB 4.49Å; W830-L878 HydrophobicContact CZ2-CD2 3.99Å; W830-L878 HydrophobicContact CZ2-CG 4.22Å; L863-L878 HydrophobicContact CD2-CD1 3.59Å; F866-L878 HydrophobicContact CD1-CD2 3.76Å; F866-L878 HydrophobicContact CD2-CB 4.42Å; F866-L878 HydrophobicContact CD2-CD2 4.01Å; F866-L878 HydrophobicContact CE1-CD2 3.5Å; F866-L878 HydrophobicContact CE2-CD2 3.77Å; F866-L878 HydrophobicContact CG-CD1 4.49Å; F866-L878 HydrophobicContact CG-CD2 4.01Å; F866-L878 HydrophobicContact CZ-CD2 3.52Å; T874-L878 PolarHBondContact O-N 2.79Å; E875-L878 PolarHBondContact O-N 3.47Å; E876-L878 VanDerWaalsContact C-N 3.35Å; L878-M880 PolarHBondContact O-N 3.31Å; L878-I881 WeakPolarHBondContact O-CB 3.34Å; L878-I881 PolarHBondContact O-N 3.12Å; L878-I881 VanDerWaalsContact O-N 3.08Å; L878-I882 HydrophobicContact CD1-CD1 4.35Å; L878-I882 HydrophobicContact CD1-CG1 4.16Å; L878-I882 HydrophobicContact CG-CG1 4.2Å; L878-I882 VanDerWaalsContact O-CG1 3.32Å; L878-I882 WeakPolarHBondContact O-CG1 3.24Å; L878-I882 PolarHBondContact O-N 3.33Å; L878-L1194 HydrophobicContact CD2-CD1 3.97Å; L878-I1402 HydrophobicContact CD2-CD1 4.32Å
879A89.7Confident85.9Confident3 Ų322.6 Ų22.63%0.02513%0.128CC..Hα-helixtrans-57.6-36.2178.200000112.4W830 F833 E875 E876 S877 H883W830-A879 HydrophobicContact CB-CB 4.48Å; W830-A879 HydrophobicContact CD2-CB 3.57Å; W830-A879 HydrophobicContact CE3-CB 3.5Å; W830-A879 HydrophobicContact CG-CB 4.06Å; W830-A879 HydrophobicContact CH2-CB 4.42Å; W830-A879 HydrophobicContact CZ2-CB 4.46Å; W830-A879 HydrophobicContact CZ3-CB 3.97Å; F833-A879 HydrophobicContact CE2-CB 3.91Å; E875-A879 WeakPolarHBondContact O-CB 3.42Å; E875-A879 PolarHBondContact O-N 2.85Å; E876-A879 PolarHBondContact O-N 3.16Å; S877-A879 PolarHBondContact O-N 2.84Å; A879-H883 WeakPolarHBondContact O-CB 3.2Å; A879-H883 PolarHBondContact O-N 3.41Å
880M91.4Very high86Confident5 Ų524.6 Ų24.63%0.02513%0.131CC..Hα-helixtrans-73.4-38.3175.4-61.5176.978.200112.4Q694 L697 C701 F833 E876 S877 L878 H883 L884Q694-M880 HydrophobicContact CG-SD 4.4Å; L697-M880 HydrophobicContact CB-CB 4.35Å; L697-M880 HydrophobicContact CB-CE 4.06Å; L697-M880 HydrophobicContact CB-SD 4.19Å; L697-M880 HydrophobicContact CD1-CB 4.43Å; C701-M880 HydrophobicContact CB-CE 4.26Å; F833-M880 HydrophobicContact CE1-CG 4.48Å; F833-M880 HydrophobicContact CE2-CG 4.12Å; F833-M880 HydrophobicContact CZ-CG 3.69Å; E876-M880 WeakPolarHBondContact O-CG 3.3Å; E876-M880 PolarHBondContact O-N 3.28Å; S877-M880 PolarHBondContact O-N 3.17Å; L878-M880 PolarHBondContact O-N 3.31Å; M880-H883 PolarHBondContact O-N 3.12Å; M880-L884 WeakPolarHBondContact O-CG 3.26Å; M880-L884 PolarHBondContact O-N 3.04Å
881I92Very high85.7Confident0 Ų024.1 Ų24.10%013%0.13CC..Hα-helixtrans-61.3-44.3172.6-65.4161.1000110.7L697 I859 Q862 L863 V873 S877 L878 L884 I885L697-I881 HydrophobicContact CD1-CD1 4.45Å; L697-I881 HydrophobicContact CD1-CG1 4.15Å; L697-I881 HydrophobicContact CD2-CG1 4.23Å; I859-I881 HydrophobicContact CG1-CG2 4.39Å; I859-I881 HydrophobicContact CG2-CG2 3.91Å; Q862-I881 HydrophobicContact CB-CD1 3.59Å; Q862-I881 HydrophobicContact CG-CD1 4.47Å; Q862-I881 VanDerWaalsContact OE1-CD1 3.29Å; L863-I881 HydrophobicContact CD2-CG2 4.02Å; L863-I881 HydrophobicContact CG-CG2 4.13Å; V873-I881 HydrophobicContact CG1-CD1 4.2Å; S877-I881 WeakPolarHBondContact O-CG1 3.3Å; S877-I881 PolarHBondContact O-N 3.04Å; L878-I881 WeakPolarHBondContact O-CB 3.34Å; L878-I881 PolarHBondContact O-N 3.12Å; L878-I881 VanDerWaalsContact O-N 3.08Å; I881-L884 PolarHBondContact O-N 2.94Å; I881-I885 HydrophobicContact CG2-CD1 3.97Å; I881-I885 WeakPolarHBondContact O-CG1 3.21Å; I881-I885 PolarHBondContact O-N 3.14Å
882I91.7Very high85Confident9 Ų922.7 Ų22.75%0.04612%0.12CC..Hα-helixtrans-64.5-39177.4-65.2-56.2000111.5W830 L878 I885 D886 L1187 I1402 L1405W830-I882 HydrophobicContact CH2-CG1 4.13Å; W830-I882 HydrophobicContact CZ3-CB 4.11Å; W830-I882 HydrophobicContact CZ3-CG1 3.97Å; W830-I882 HydrophobicContact CZ3-CG2 4.27Å; L878-I882 HydrophobicContact CD1-CD1 4.35Å; L878-I882 HydrophobicContact CD1-CG1 4.16Å; L878-I882 HydrophobicContact CG-CG1 4.2Å; L878-I882 VanDerWaalsContact O-CG1 3.32Å; L878-I882 WeakPolarHBondContact O-CG1 3.24Å; L878-I882 PolarHBondContact O-N 3.33Å; I882-I885 HydrophobicContact CD1-CD1 4.48Å; I882-I885 PolarHBondContact O-N 3.26Å; I882-D886 PolarHBondContact O-N 3.48Å; I882-L1187 HydrophobicContact CD1-CD2 3.35Å; I882-I1402 HydrophobicContact CD1-CD1 4.01Å; I882-I1402 HydrophobicContact CD1-CG1 3.79Å; I882-I1402 HydrophobicContact CG1-CD1 4.24Å; I882-I1402 HydrophobicContact CG1-CG1 3.95Å; I882-L1405 HydrophobicContact CD1-CD2 3.98Å; I882-L1405 HydrophobicContact CG2-CD2 4.08Å
883H91.8Very high83.8Confident11 Ų1124.2 Ų24.25%0.05113%0.131CC..Hα-helixtrans-63.3-46.7172.5167.570.3000112.5D705 F833 A879 M880 I885 D886 R887D705-H883 IonicContact OD1-NE2 3.66Å; D705-H883 IonicContact OD2-CD2 2.84Å; D705-H883 IonicContact OD2-CE1 3.61Å; D705-H883 IonicContact OD2-NE2 3.72Å; D705-H883 PolarHBondContact OD2-NE2 3.34Å; F833-H883 HydrophobicContact CB-CB 4.09Å; F833-H883 HydrophobicContact CD2-CB 4.09Å; F833-H883 HydrophobicContact CG-CB 4.17Å; A879-H883 WeakPolarHBondContact O-CB 3.2Å; A879-H883 PolarHBondContact O-N 3.41Å; M880-H883 PolarHBondContact O-N 3.12Å; H883-I885 VanDerWaalsContact C-N 3.27Å; H883-I885 PolarHBondContact O-N 3.47Å; H883-D886 PolarHBondContact O-N 2.99Å; H883-D886 VanDerWaalsContact O-N 3.15Å; H883-R887 WeakPolarHBondContact O-CB 3.45Å; H883-R887 WeakPolarHBondContact O-CG 3.23Å; H883-R887 PolarHBondContact O-N 2.95Å
884L91.5Very high81.8Confident2 Ų232.9 Ų32.91%0.0116%0.163CC..Hα-helixtrans-60.4-36.1175.6-71.6170000112.2L697 L700 L704 L850 M880 I881 A888L697-L884 HydrophobicContact CD2-CD1 4.13Å; L700-L884 HydrophobicContact CD2-CD1 3.85Å; L704-L884 HydrophobicContact CD1-CD2 4.05Å; L850-L884 HydrophobicContact CD2-CD2 4.15Å; M880-L884 WeakPolarHBondContact O-CG 3.26Å; M880-L884 PolarHBondContact O-N 3.04Å; I881-L884 PolarHBondContact O-N 2.94Å; L884-A888 WeakPolarHBondContact O-CB 3.27Å; L884-A888 PolarHBondContact O-N 3.13Å
885I90.1Very high79.5Confident2 Ų235.6 Ų35.61%0.0118%0.175CC..Hα-helixtrans-67.4-45.6172.8-72.1166.6000111.5I859 L863 I881 I882 H883 R887 A888 L889 W1127 L1187 L1405I859-I885 HydrophobicContact CD1-CG1 4.42Å; I859-I885 HydrophobicContact CG2-CD1 3.86Å; I859-I885 HydrophobicContact CG2-CG1 4.19Å; L863-I885 HydrophobicContact CD1-CD1 4.08Å; I881-I885 HydrophobicContact CG2-CD1 3.97Å; I881-I885 WeakPolarHBondContact O-CG1 3.21Å; I881-I885 PolarHBondContact O-N 3.14Å; I882-I885 HydrophobicContact CD1-CD1 4.48Å; I882-I885 PolarHBondContact O-N 3.26Å; H883-I885 VanDerWaalsContact C-N 3.27Å; H883-I885 PolarHBondContact O-N 3.47Å; I885-R887 VanDerWaalsContact C-N 3.35Å; I885-R887 PolarHBondContact O-N 3.49Å; I885-A888 PolarHBondContact O-N 3.04Å; I885-A888 VanDerWaalsContact O-N 3.16Å; I885-L889 HydrophobicContact CG2-CD1 4.27Å; I885-L889 WeakPolarHBondContact O-CG 3.41Å; I885-L889 PolarHBondContact O-N 2.92Å; I885-L889 VanDerWaalsContact O-N 3.11Å; I885-W1127 HydrophobicContact CB-CH2 4.49Å; I885-W1127 HydrophobicContact CG1-CH2 4.33Å; I885-W1127 HydrophobicContact CG2-CH2 3.79Å; I885-W1127 HydrophobicContact CG2-CZ2 4.07Å; I885-L1187 HydrophobicContact CD1-CD2 4.35Å; I885-L1405 HydrophobicContact CB-CD2 4.37Å; I885-L1405 HydrophobicContact CG2-CD1 3.78Å; I885-L1405 HydrophobicContact CG2-CD2 3.64Å; I885-L1405 HydrophobicContact CG2-CG 4.31Å
886D87.1Confident77.2Confident33 Ų3336.5 Ų36.518%0.17619%0.187CC..Hα-helixtrans-63-42.4178.9-167.540.2000111.2K835 I882 H883 A888 L889 D890 K1408K835-D886 WeakPolarHBondContact CE-OD2 3.4Å; K835-D886 IonicContact NZ-OD1 3.58Å; K835-D886 IonicContact NZ-OD2 3.2Å; K835-D886 PolarHBondContact NZ-OD2 3Å; I882-D886 PolarHBondContact O-N 3.48Å; H883-D886 PolarHBondContact O-N 2.99Å; H883-D886 VanDerWaalsContact O-N 3.15Å; D886-A888 PolarHBondContact O-N 3.33Å; D886-L889 PolarHBondContact O-N 2.91Å; D886-L889 VanDerWaalsContact O-N 3.08Å; D886-D890 PolarHBondContact O-N 3.45Å; D886-D890 VanDerWaalsContact O-N 3.12Å; D886-D890 VanDerWaalsContact O-OD2 3.13Å; D886-K1408 PolarHBondContact O-NZ 3.35Å; D886-K1408 WeakPolarHBondContact OD1-CD 3.46Å; D886-K1408 WeakPolarHBondContact OD1-CE 3.35Å; D886-K1408 IonicContact OD1-NZ 2.79Å; D886-K1408 PolarHBondContact OD1-NZ 3.5Å
887R88.8Confident74.7Confident18 Ų1833.8 Ų33.87%0.06819%0.187CC..Hα-helixtrans-53.3-47.9169.1-77.4-67.2-56.4108.49.3112.2D705 P836 D847 L850 H883 I885 L889 D890 T891D705-R887 WeakPolarHBondContact OD1-CD 3.31Å; D705-R887 IonicContact OD1-NE 2.79Å; D705-R887 PolarHBondContact OD1-NE 3.39Å; P836-R887 VanDerWaalsContact CD-CD 3.46Å; D847-R887 IonicContact OD1-NH2 3.47Å; D847-R887 PolarHBondContact OD1-NH2 3.33Å; L850-R887 HydrophobicContact CD1-CB 4.01Å; L850-R887 HydrophobicContact CD2-CB 4.21Å; H883-R887 WeakPolarHBondContact O-CB 3.45Å; H883-R887 WeakPolarHBondContact O-CG 3.23Å; H883-R887 PolarHBondContact O-N 2.95Å; I885-R887 VanDerWaalsContact C-N 3.35Å; I885-R887 PolarHBondContact O-N 3.49Å; R887-L889 PolarHBondContact O-N 3.46Å; R887-D890 PolarHBondContact O-N 3.26Å; R887-T891 PolarHBondContact NH1-OG1 3.08Å; R887-T891 PolarHBondContact NH2-OG1 3.13Å; R887-T891 WeakPolarHBondContact O-CB 3.35Å; R887-T891 PolarHBondContact O-N 3.47Å; R887-T891 PolarHBondContact O-OG1 3.27Å
888A85.7Confident71.8Confident5 Ų541.1 Ų41.14%0.04123%0.226CC..Hα-helixtrans-68.9-12.317900000113.9L850 H851 L884 I885 D886 W1127L850-A888 HydrophobicContact CB-CB 3.96Å; H851-A888 PolarHBondContact CE1-O 2.69Å; H851-A888 VanDerWaalsContact CE1-O 3.3Å; L884-A888 WeakPolarHBondContact O-CB 3.27Å; L884-A888 PolarHBondContact O-N 3.13Å; I885-A888 PolarHBondContact O-N 3.04Å; I885-A888 VanDerWaalsContact O-N 3.16Å; D886-A888 PolarHBondContact O-N 3.33Å; A888-W1127 HydrophobicContact CB-CZ2 3.89Å; A888-W1127 PolarHBondContact O-NE1 3.05Å
889L81.5Confident69Low22 Ų2246.5 Ų46.512%0.11526%0.255CS..Hα-helixtrans-99.5-26.6176-71173000114.2I885 D886 R887 W1127 L1405 K1408 I1409 L1412I885-L889 HydrophobicContact CG2-CD1 4.27Å; I885-L889 WeakPolarHBondContact O-CG 3.41Å; I885-L889 PolarHBondContact O-N 2.92Å; I885-L889 VanDerWaalsContact O-N 3.11Å; D886-L889 PolarHBondContact O-N 2.91Å; D886-L889 VanDerWaalsContact O-N 3.08Å; R887-L889 PolarHBondContact O-N 3.46Å; L889-W1127 HydrophobicContact CD2-CD2 4.38Å; L889-W1127 HydrophobicContact CD2-CZ2 3.83Å; L889-W1127 HydrophobicContact CG-CZ2 3.83Å; L889-L1405 HydrophobicContact CD1-CD1 3.44Å; L889-L1405 VanDerWaalsContact CD1-CD1 3.44Å; L889-K1408 HydrophobicContact CB-CD 4.22Å; L889-K1408 HydrophobicContact CD1-CD 4.25Å; L889-I1409 HydrophobicContact CD1-CD1 4.2Å; L889-I1409 HydrophobicContact CD1-CG1 3.58Å; L889-L1412 HydrophobicContact CB-CD1 4.41Å; L889-L1412 HydrophobicContact CD2-CD1 4.26Å
890D77.8Confident66.2Low72 Ų7254.4 Ų54.439%0.38528%0.284SS..Hα-helixtrans-79.7-27.6171.6-62.8-55.6000112.6K835 D886 R887 P892 K1408K835-D890 WeakPolarHBondContact CD-OD2 3.36Å; K835-D890 VanDerWaalsContact CE-OD2 3.25Å; K835-D890 WeakPolarHBondContact CE-OD2 3.38Å; K835-D890 IonicContact NZ-OD1 2.78Å; K835-D890 IonicContact NZ-OD2 2.7Å; K835-D890 PolarHBondContact NZ-OD2 3.38Å; D886-D890 PolarHBondContact O-N 3.45Å; D886-D890 VanDerWaalsContact O-N 3.12Å; D886-D890 VanDerWaalsContact O-OD2 3.13Å; R887-D890 PolarHBondContact O-N 3.26Å; D890-P892 WeakPolarHBondContact O-CD 3.42Å; D890-K1408 VanDerWaalsContact OD1-CE 3.31Å; D890-K1408 WeakPolarHBondContact OD1-CE 3.03Å; D890-K1408 IonicContact OD1-NZ 2.66Å; D890-K1408 PolarHBondContact OD1-NZ 2.68Å; D890-K1408 IonicContact OD2-NZ 3.88Å; D890-K1408 PolarHBondContact OD2-NZ 2.94Å
891T72.9Confident63.1Low19 Ų1962.5 Ų62.512%0.11732%0.319CS..SBendtrans-82.7109.7-175.4-49.30000108D847 H851 R887D847-T891 HydrophobicContact CB-CG2 3.77Å; H851-T891 PolarHBondContact CE1-O 2.88Å; H851-T891 VanDerWaalsContact CE1-O 3.22Å; H851-T891 PolarHBondContact NE2-O 3.11Å; R887-T891 PolarHBondContact NH1-OG1 3.08Å; R887-T891 PolarHBondContact NH2-OG1 3.13Å; R887-T891 WeakPolarHBondContact O-CB 3.35Å; R887-T891 PolarHBondContact O-N 3.47Å; R887-T891 PolarHBondContact O-OG1 3.27Å
892P60Low60.1Low55 Ų5566 Ų6636%0.35734%0.34SS..  trans-69.2139.8-179.829.1-34.1000109.2D890 R894 N1123D890-P892 WeakPolarHBondContact O-CD 3.42Å; P892-R894 HydrophobicContact CB-CG 4.13Å; P892-R894 HydrophobicContact CG-CG 3.95Å; P892-R894 PolarHBondContact O-N 2.9Å; P892-N1123 VanDerWaalsContact CA-OD1 3.3Å; P892-N1123 WeakPolarHBondContact CA-OD1 3.4Å; P892-N1123 WeakPolarHBondContact CB-OD1 3.39Å
893C51.9Low57.2Low34 Ų3471 Ų7123%0.2338%0.375CS..  trans-74.968.4178.4-165.20000110.4L895 N1123 C1126C893-L895 VanDerWaalsContact C-N 3.3Å; C893-L895 PolarHBondContact O-N 3.29Å; C893-N1123 PolarHBondContact N-OD1 2.98Å; C893-C1126 HydrophobicContact CB-CB 3.49Å; C893-C1126 VanDerWaalsContact CB-CB 3.49Å
894R42.1Very low54.1Low189 Ų18973.5 Ų73.571%0.71339%0.391SS*.  trans-76.182179.9-72.4-175.5-178.5-156.93.6110.1P892P892-R894 HydrophobicContact CB-CG 4.13Å; P892-R894 HydrophobicContact CG-CG 3.95Å; P892-R894 PolarHBondContact O-N 2.9Å
895L36.5Very low51Low96 Ų9678.3 Ų78.350%0.50341%0.412SS..  trans-44.1146.9149.2-70.2171.4000109.7C893 G897C893-L895 VanDerWaalsContact C-N 3.3Å; C893-L895 PolarHBondContact O-N 3.29Å; L895-G897 PolarHBondContact O-N 3.48Å
896P36Very low48.1Very low89 Ų8985.1 Ų85.158%0.57845%0.447SS*.  trans-72.459.9178.330.3-35.9000112.6
897G31Very low45.3Very low46 Ų4689.6 Ų89.647%0.47447%0.465SS..  trans-67.9140.117200000111.7L895 N899L895-G897 PolarHBondContact O-N 3.48Å; G897-N899 PolarHBondContact O-N 2.99Å
898N28.2Very low42.3Very low153 Ų15389.6 Ų89.682%0.81847%0.466SS*.SBendtrans61.3-16.4172.9-65.4-7.8000119.4
899N31.4Very low39.4Very low113 Ų11395.1 Ų95.160%0.60449%0.491SS*.  trans-90.73.1163.4-99.42.7000114.3G897 K901 T902G897-N899 PolarHBondContact O-N 2.99Å; N899-K901 PolarHBondContact O-N 2.86Å; N899-T902 PolarHBondContact O-N 3.16Å; N899-T902 WeakPolarHBondContact OD1-CB 3.31Å; N899-T902 PolarHBondContact OD1-OG1 3.42Å
900R30.3Very low36.7Very low169 Ų16997.9 Ų97.964%0.63851%0.512SS*.THydrogen-bonded Turntrans-60.99.6160.9-102.7-176.6170.5-176.9-3.5114.5T904R900-T904 PolarHBondContact O-OG1 3.43Å
901K27.4Very low34.2Very low176 Ų176102.8 Ų102.877%0.76553%0.532SS*.THydrogen-bonded Turntrans-1234.8171.9-66.6-171.1175.5-174.80113.7N899 T904N899-K901 PolarHBondContact O-N 2.86Å; K901-T904 WeakPolarHBondContact CA-OG1 3.33Å; K901-T904 PolarHBondContact N-OG1 3.28Å
902T28.6Very low31.9Very low73 Ų73106.8 Ų106.845%0.44857%0.567SS.*THydrogen-bonded Turntrans-127.7-31.8-164.5-27.90000113.6N899N899-T902 PolarHBondContact O-N 3.16Å; N899-T902 WeakPolarHBondContact OD1-CB 3.31Å; N899-T902 PolarHBondContact OD1-OG1 3.42Å
903C29.7Very low30.2Very low114 Ų114108.6 Ų108.677%0.7758%0.581SS**SBendtrans-71.5-15.8153.6-70.80000111.4K905C903-K905 PolarHBondContact O-N 2.79Å
904T27.4Very low28.8Very low63 Ų63116.7 Ų116.739%0.38761%0.613SS.*THydrogen-bonded Turntrans-86.832.1-175.1-18.80000112.8R900 K901 N968R900-T904 PolarHBondContact O-OG1 3.43Å; K901-T904 WeakPolarHBondContact CA-OG1 3.33Å; K901-T904 PolarHBondContact N-OG1 3.28Å; T904-N968 VanDerWaalsContact C-CB 3.49Å; T904-N968 WeakPolarHBondContact CA-ND2 3.33Å; T904-N968 WeakPolarHBondContact O-CB 3.42Å
905K26.2Very low27.9Very low104 Ų104113.6 Ų113.645%0.45262%0.62SS.*THydrogen-bonded Turntrans-159.220.6-168.7-147.1-161.8177.7-163.80115.9C903 E964 N968C903-K905 PolarHBondContact O-N 2.79Å; K905-E964 WeakPolarHBondContact CE-O 3.21Å; K905-E964 PolarHBondContact NZ-O 3.41Å; K905-N968 PolarHBondContact N-OD1 2.89Å
906I29.5Very low27.3Very low145 Ų145114.2 Ų114.274%0.74463%0.633SS**SBendtrans-136.3-18.3-176.2-66.5-178.4000111.7N968I906-N968 PolarHBondContact N-OD1 3.37Å
907F27.8Very low26.7Very low126 Ų126119.6 Ų119.655%0.55365%0.65SS**SBendtrans-104.3-2.9-162-142-93.3000115.5Q576 N968Q576-F907 HydrophobicContact CG-CE2 4.47Å; F907-N968 PolarHBondContact N-OD1 3.45Å
908M25.6Very low26.4Very low19 Ų19121.8 Ų121.89%0.09466%0.658CS.*  trans-130.230.8-178.8-37.5-167.5-13700112.7S910 Q967 N968 A969 F970 V971M908-S910 PolarHBondContact O-N 3.43Å; M908-Q967 VanDerWaalsContact O-CB 3.25Å; M908-Q967 WeakPolarHBondContact O-CB 3.28Å; M908-Q967 PolarHBondContact O-OE1 3.44Å; M908-Q967 VanDerWaalsContact O-OE1 3.09Å; M908-N968 VanDerWaalsContact CE-C 3.41Å; M908-N968 HydrophobicContact CE-CB 3.93Å; M908-N968 WeakPolarHBondContact CE-ND2 3.41Å; M908-N968 HydrophobicContact CG-CB 4.43Å; M908-N968 PolarHBondContact N-OD1 3.37Å; M908-A969 PolarHBondContact SD-N 2.89Å; M908-F970 HydrophobicContact SD-CB 3.48Å; M908-F970 WeakPolarHBondContact SD-CB 3.46Å; M908-F970 PolarHBondContact SD-N 3.29Å; M908-V971 HydrophobicContact CE-CB 3.51Å; M908-V971 HydrophobicContact CE-CG2 3.47Å; M908-V971 VanDerWaalsContact CE-CG2 3.47Å; M908-V971 HydrophobicContact SD-CB 4.4Å; M908-V971 HydrophobicContact SD-CG2 3.92Å
909E24.8Very low26.2Very low120 Ų120121.2 Ų121.256%0.56166%0.655SS**SBendtrans-54.412.9165.4166.8-168.4-71.100114.5S966 Q967E909-S966 PolarHBondContact OE1-OG 3.35Å; E909-Q967 HydrophobicContact CB-CB 3.51Å; E909-Q967 HydrophobicContact CB-CG 3.9Å; E909-Q967 HydrophobicContact CG-CB 4.47Å; E909-Q967 HydrophobicContact CG-CG 4.45Å; E909-Q967 VanDerWaalsContact OE1-CG 3.26Å; E909-Q967 WeakPolarHBondContact OE1-CG 3.38Å; E909-Q967 PolarHBondContact OE1-NE2 3.49Å
910S25.5Very low25.8Very low80 Ų80123.3 Ų123.356%0.55967%0.665SS**SBendtrans-163.5129.1-158.9-173.80000113M908M908-S910 PolarHBondContact O-N 3.43Å
911Q25.8Very low25.9Very low175 Ų175120 Ų12082%0.81867%0.666SS**  trans60.970159.4-63.4-173.140.400119.3
912A24.5Very low25.6Very low103 Ų103117.5 Ų117.585%0.85167%0.665SS**  trans-109.876141.900000110.1
913S23.5Very low25.3Very low93 Ų93119.3 Ų119.365%0.6568%0.681SS**  trans-151.7128172.9680000113.5
914K23.6Very low25Very low205 Ų205118.8 Ų118.889%0.89168%0.678SS**  trans74.5105.5171.6-55.5-178.3179.4-178.30117.7
915S23.1Very low24.8Very low124 Ų124122.8 Ų122.887%0.86770%0.697SS**  trans-148.966.9147.465.40000111.5
916S23Very low24.6Very low109 Ų109123.7 Ų123.776%0.76271%0.706SS**  trans-167.191.8163.858.90000111.9
917E24.3Very low24.4Very low201 Ų201123.2 Ų123.294%0.93971%0.705SS**  -179.6165.4122.2-98.6176-178.100110.2
918S23.3Very low24.2Very low92 Ų92122.2 Ų122.264%0.64371%0.71SS**  trans-116.2165.4-160.650.50000114.4
919N25.7Very low24.1Very low141 Ų141127.4 Ų127.475%0.75474%0.738SS**  trans87.4109.7167.1-47.3-44.9000118.1
920L22.6Very low24.1Very low158 Ų158127.3 Ų127.383%0.82774%0.741SS**  27.6154.7129.9-79.280.2000121.7
921P31.1Very low24.1Very low99 Ų99133.4 Ų133.464%0.64375%0.753SS**  cis-146.1-178.2-28.739-19.2000115.8
922T21.3Very low24Very low124 Ų124132.4 Ų132.476%0.76175%0.749SS**  trans66124.6150.344.70000123.6
923S22.6Very low23.9Very low110 Ų110134.1 Ų134.177%0.76975%0.749SS**  trans104.2137.4131.379.50000122.5
924S23.7Very low24Very low103 Ų103133 Ų13372%0.7275%0.752SS**  trans77.494.8142.8-58.80000123.2
925L22.7Very low24.2Very low148 Ų148129.9 Ų129.978%0.77575%0.75SS**  56.9130.9120.4-92.669.4000123.5
926N23Very low24.3Very low122 Ų122132.8 Ų132.865%0.65275%0.747SS**  trans85.7123.3130.6-74.79.4000123.9
927N24.4Very low24.5Very low135 Ų135134.3 Ų134.372%0.72275%0.746SS**  104.7115.4120.9-80.47.4000123.4
928V24.5Very low24.6Very low106 Ų106130.9 Ų130.964%0.64273%0.734SS**  95.5101.6117.3168.80000121
929N23.3Very low24.9Very low127 Ų127133.2 Ų133.268%0.67974%0.738SS**  75.1132124.3-63.613.6000124.9
930N23.6Very low24.7Very low119 Ų119133.1 Ų133.164%0.63673%0.733SS**  trans67.5151.2140.3-55.28.5000118
931Y25.9Very low24.9Very low208 Ų208132.4 Ų132.482%0.81673%0.725SS**  cis-147.5-173.333.2-111.2-72.2000114.7
932E23.3Very low24.7Very low154 Ų154135.4 Ų135.472%0.7273%0.728SS**  trans-109.1177.9-166.9-51.3167.489.400115.6
933T23.7Very low24.7Very low139 Ų139136.2 Ų136.285%0.85372%0.724SS**  trans78.9143.5149.961.50000122.9
934G24.6Very low24.7Very low69 Ų69135.2 Ų135.271%0.71171%0.713SS**  trans114.3129.5162.100000114.8
935T28.1Very low24.7Very low140 Ų140138.1 Ų138.186%0.85972%0.715SS**  cis-153.8159.8-2.6-59.70000110.3
936K25.7Very low24.7Very low184 Ų184139.3 Ų139.380%0.872%0.717SS**  trans-76.7171.8-179.6-61.7171.3177175.70114.3
937N27.4Very low24.7Very low141 Ų141140.2 Ų140.275%0.75472%0.719SS**  trans135.2144.6141.9-68.7-11.2000112.7
938L26.7Very low24.6Very low129 Ų129140 Ų14068%0.67572%0.717SS**  cis-159.9147.6-2.2-144.972.3000110.6
939I28.2Very low24.7Very low142 Ų142142.2 Ų142.273%0.72872%0.721SS**  trans50.9154.2141-79.4173.5000121.6
940E23.2Very low24.9Very low138 Ų138141.9 Ų141.965%0.64572%0.718SS**  cis178.7173.4-32-153.8-179.7-113.400108.5
941Q25.3Very low24.9Very low144 Ų144142.9 Ų142.967%0.67372%0.718SS**  trans69.7138.4161.8-63179.441.500115.1
942K27.1Very low24.7Very low162 Ų162140.1 Ų140.170%0.70471%0.713SS**  cis139.4160.530.7-101.2-173.7173.3-165.60104.7
943Q22.1Very low24.9Very low141 Ų141141.5 Ų141.566%0.65972%0.72SS**  cis-160.3156.4-20-137.9175.3-61.100107.9
944T21.9Very low25Very low89 Ų89142.6 Ų142.655%0.54672%0.715SS.*  trans27.4147.4149.644.60000124.8
945E23.8Very low25Very low163 Ų163145.3 Ų145.376%0.76272%0.72SS**  trans70.6148.5150.6-74.1137.8-135.300118.4
946E23.5Very low24.8Very low174 Ų174146 Ų14681%0.81372%0.718SS**  cis-152.4-160.4-15.1-137.1178.1-167.100112.3
947M22Very low24.9Very low141 Ų141146.7 Ų146.770%0.69572%0.721SS**  trans-63.4162.7-163.2-74.4161.448.100120.7
948D23.4Very low24.8Very low129 Ų129145.8 Ų145.869%0.6972%0.722SS**  trans67.6151.2146.3-65.3-13.8000120.7
949E25.8Very low24.6Very low153 Ų153148 Ų14872%0.71573%0.727SS**  cis-152.5157.33.6-134.9-172174.600111.9
950I26.9Very low24.4Very low120 Ų120147.1 Ų147.162%0.61572%0.723SS**  trans47.1131.6140.6-79.1175.7000120.5
951Q23.3Very low24.5Very low140 Ų140148 Ų14865%0.65473%0.731SS**  cis-160.3156.113-121.917335.700114
952Q23.1Very low24.4Very low151 Ų151148.2 Ų148.271%0.70674%0.736SS**  trans40.1116.3148.3-66.5169.44100121.6
953Q27.4Very low24.2Very low183 Ų183145 Ų14586%0.85574%0.739SS**  -169.9168.898.7-99.5-179.139.900113.9
954Q24.7Very low24.4Very low161 Ų161145.8 Ų145.875%0.75274%0.743SS**  trans-53.9140.2-162.9-57168.72.100117.3L956Q954-L956 PolarHBondContact O-N 3.08Å
955P25.8Very low24.5Very low127 Ų127150.6 Ų150.683%0.82576%0.756SS**  trans-8990.4171.334.8-33.2000113.2
956L23.2Very low24.5Very low154 Ų154145.5 Ų145.581%0.80674%0.739SS**  trans-86.3125.4156.1-81.5163.3000109Q954Q954-L956 PolarHBondContact O-N 3.08Å
957K27.7Very low24.7Very low199 Ų199141.8 Ų141.887%0.86572%0.721SS**  trans-136.8121.3176.1-83.2-165.7173-174.50113.1
958P25.7Very low25Very low121 Ų121136.8 Ų136.879%0.78670%0.698SS**  trans-101.2138.5169.836-30.1000113.7
959K21.8Very low25.3Very low177 Ų177134.6 Ų134.677%0.7770%0.697SS**  trans39.5117.9139.7-73.1-168.7165.6-1650123.7
960D24.7Very low25.6Very low122 Ų122135.8 Ų135.865%0.65270%0.7SS**  84.9151118.8-56.3-19.5000122.9
961L25.6Very low25.9Very low156 Ų156132.6 Ų132.682%0.81769%0.686SS**  trans80.1139.4166.3-52.5127000116.3
962I23.2Very low26.3Very low150 Ų150130.9 Ų130.977%0.76968%0.681SS**  cis-154.2174.9-3.7-133168.4000112.3
963A23.3Very low26.7Very low93 Ų93129.4 Ų129.477%0.76968%0.678SS**  trans73.2148177.400000115.7
964E26.3Very low26.9Very low159 Ų159125.6 Ų125.674%0.74366%0.659SS**  cis-126.9170.311.9-148168.9-157.100113.3K905K905-E964 WeakPolarHBondContact CE-O 3.21Å; K905-E964 PolarHBondContact NZ-O 3.41Å
965K23.9Very low27.3Very low190 Ų190121.7 Ų121.783%0.82664%0.643SS**  trans-112.9153.7167-64.9176.7-177.8175.10106.6
966S24.3Very low27.6Very low56 Ų56119.8 Ų119.839%0.39262%0.624SS.*  cis-159.6-174.649.937.50000116.1E909E909-S966 PolarHBondContact OE1-OG 3.35Å
967Q25.9Very low27.9Very low95 Ų95117.5 Ų117.544%0.44461%0.613SS.*  trans65.4111.4162.4-53.2-168.865.600120.4M908 E909M908-Q967 VanDerWaalsContact O-CB 3.25Å; M908-Q967 WeakPolarHBondContact O-CB 3.28Å; M908-Q967 PolarHBondContact O-OE1 3.44Å; M908-Q967 VanDerWaalsContact O-OE1 3.09Å; E909-Q967 HydrophobicContact CB-CB 3.51Å; E909-Q967 HydrophobicContact CB-CG 3.9Å; E909-Q967 HydrophobicContact CG-CB 4.47Å; E909-Q967 HydrophobicContact CG-CG 4.45Å; E909-Q967 VanDerWaalsContact OE1-CG 3.26Å; E909-Q967 WeakPolarHBondContact OE1-CG 3.38Å; E909-Q967 PolarHBondContact OE1-NE2 3.49Å
968N29.8Very low28.1Very low37 Ų37115.7 Ų115.720%0.19860%0.6CS.*  trans-166.486157.1-125.875.2000108.4T904 K905 I906 F907 M908T904-N968 VanDerWaalsContact C-CB 3.49Å; T904-N968 WeakPolarHBondContact CA-ND2 3.33Å; T904-N968 WeakPolarHBondContact O-CB 3.42Å; K905-N968 PolarHBondContact N-OD1 2.89Å; I906-N968 PolarHBondContact N-OD1 3.37Å; F907-N968 PolarHBondContact N-OD1 3.45Å; M908-N968 VanDerWaalsContact CE-C 3.41Å; M908-N968 HydrophobicContact CE-CB 3.93Å; M908-N968 WeakPolarHBondContact CE-ND2 3.41Å; M908-N968 HydrophobicContact CG-CB 4.43Å; M908-N968 PolarHBondContact N-OD1 3.37Å
969A29.1Very low28.4Very low82 Ų82116.7 Ų116.768%0.67860%0.595SS**  trans-149.894.5173.800000113.2M908M908-A969 PolarHBondContact SD-N 2.89Å
970F31.4Very low28.7Very low179 Ų179113.3 Ų113.379%0.78558%0.58SS**SBendtrans178.7-34177.6-165.6-108.1000111.7M908 D972M908-F970 HydrophobicContact SD-CB 3.48Å; M908-F970 WeakPolarHBondContact SD-CB 3.46Å; M908-F970 PolarHBondContact SD-N 3.29Å; F970-D972 VanDerWaalsContact C-N 3.28Å; F970-D972 PolarHBondContact O-N 2.89Å
971V34.9Very low28.9Very low52 Ų52109.2 Ų109.232%0.31557%0.566SS.*THydrogen-bonded Turntrans-70.1-17.3-177.2172.90000114.1M908 D973 F974 I975M908-V971 HydrophobicContact CE-CB 3.51Å; M908-V971 HydrophobicContact CE-CG2 3.47Å; M908-V971 VanDerWaalsContact CE-CG2 3.47Å; M908-V971 HydrophobicContact SD-CB 4.4Å; M908-V971 HydrophobicContact SD-CG2 3.92Å; V971-D973 VanDerWaalsContact C-N 3.31Å; V971-D973 PolarHBondContact O-N 3.46Å; V971-F974 PolarHBondContact O-N 3.39Å; V971-I975 HydrophobicContact CG1-CD1 3.79Å; V971-I975 HydrophobicContact CG1-CG1 4.06Å; V971-I975 PolarHBondContact O-N 2.81Å
972D30.6Very low28.9Very low104 Ų104111 Ų11156%0.55656%0.562SS**Hα-helixtrans-63.9-32-174.5-68.2-52.7000113.2F970 M976F970-D972 VanDerWaalsContact C-N 3.28Å; F970-D972 PolarHBondContact O-N 2.89Å; D972-M976 VanDerWaalsContact O-CB 3.31Å; D972-M976 WeakPolarHBondContact O-CB 3.24Å; D972-M976 WeakPolarHBondContact O-CG 3.33Å; D972-M976 PolarHBondContact O-N 2.81Å
973D31.2Very low29.2Very low120 Ų120110.3 Ų110.364%0.64255%0.554SS**Hα-helixtrans-72.2-38.2177.5-77.7-35.8000112.8V971 I975 M976 D977V971-D973 VanDerWaalsContact C-N 3.31Å; V971-D973 PolarHBondContact O-N 3.46Å; D973-I975 PolarHBondContact O-N 2.8Å; D973-M976 WeakPolarHBondContact O-CB 3.44Å; D973-M976 PolarHBondContact O-N 3.23Å; D973-M976 VanDerWaalsContact O-N 3.16Å; D973-D977 PolarHBondContact O-N 2.98Å
974F32.5Very low29.3Very low103 Ų103113.3 Ų113.345%0.45255%0.552SS.*Hα-helixtrans-69.5-33.9177.6-169.9-101.6000112.5L583 V971 W978L583-F974 HydrophobicContact CD1-CD2 4.29Å; L583-F974 HydrophobicContact CD1-CE1 4.3Å; L583-F974 HydrophobicContact CD1-CE2 3.38Å; L583-F974 HydrophobicContact CD1-CZ 3.4Å; V971-F974 PolarHBondContact O-N 3.39Å; F974-W978 AromaticContact CE1-CE3 3.7Å; F974-W978 HydrophobicContact CE1-CE3 3.7Å; F974-W978 HydrophobicContact CE1-CZ3 4.09Å; F974-W978 AromaticContact CZ-CE3 3.75Å; F974-W978 HydrophobicContact CZ-CE3 3.75Å; F974-W978 AromaticContact CZ-CZ3 3.97Å; F974-W978 HydrophobicContact CZ-CZ3 3.97Å; F974-W978 WeakPolarHBondContact O-CB 3.48Å; F974-W978 PolarHBondContact O-N 3.28Å
975I33.6Very low29.3Very low80 Ų80114.1 Ų114.141%0.4156%0.556SS.*Hα-helixtrans-71.6-34.7171-64.1-179.5000110.4V971 D973 W978 E979V971-I975 HydrophobicContact CG1-CD1 3.79Å; V971-I975 HydrophobicContact CG1-CG1 4.06Å; V971-I975 PolarHBondContact O-N 2.81Å; D973-I975 PolarHBondContact O-N 2.8Å; I975-W978 PolarHBondContact O-N 3.06Å; I975-E979 HydrophobicContact CG2-CG 4.15Å; I975-E979 WeakPolarHBondContact O-CB 3.5Å; I975-E979 PolarHBondContact O-N 2.85Å
976M30.8Very low29.5Very low87 Ų87108 Ų10843%0.42953%0.534SS..Hα-helixtrans-64.7-38.5175.2-75.6-106.5-106.600113D972 D973 K980D972-M976 VanDerWaalsContact O-CB 3.31Å; D972-M976 WeakPolarHBondContact O-CB 3.24Å; D972-M976 WeakPolarHBondContact O-CG 3.33Å; D972-M976 PolarHBondContact O-N 2.81Å; D973-M976 WeakPolarHBondContact O-CB 3.44Å; D973-M976 PolarHBondContact O-N 3.23Å; D973-M976 VanDerWaalsContact O-N 3.16Å; M976-K980 HydrophobicContact CB-CD 4.43Å; M976-K980 WeakPolarHBondContact O-CB 3.31Å; M976-K980 WeakPolarHBondContact O-CD 3.47Å; M976-K980 WeakPolarHBondContact O-CG 3.47Å; M976-K980 PolarHBondContact O-N 3.26Å; M976-K980 WeakPolarHBondContact SD-CE 3.38Å; M976-K980 PolarHBondContact SD-NZ 3.45Å
977D30.3Very low29.6Very low106 Ų106113.4 Ų113.457%0.56756%0.558SS**Hα-helixtrans-79.7-16.2174.7-83.4-16.3000113.6D973 R982D973-D977 PolarHBondContact O-N 2.98Å; D977-R982 IonicContact OD1-NH2 2.84Å
978W32.3Very low29.6Very low160 Ų160116.7 Ų116.761%0.60657%0.573SS**Hα-helixtrans-84.6-32169.9-159.8-64.3000112.7F974 I975F974-W978 AromaticContact CE1-CE3 3.7Å; F974-W978 HydrophobicContact CE1-CE3 3.7Å; F974-W978 HydrophobicContact CE1-CZ3 4.09Å; F974-W978 AromaticContact CZ-CE3 3.75Å; F974-W978 HydrophobicContact CZ-CE3 3.75Å; F974-W978 AromaticContact CZ-CZ3 3.97Å; F974-W978 HydrophobicContact CZ-CZ3 3.97Å; F974-W978 WeakPolarHBondContact O-CB 3.48Å; F974-W978 PolarHBondContact O-N 3.28Å; I975-W978 PolarHBondContact O-N 3.06Å
979E31.1Very low29.4Very low143 Ų143121.9 Ų121.967%0.66860%0.601SS**Hα-helixtrans-94.8-22.5178.6-67.8-166.3153.900114.1I975I975-E979 HydrophobicContact CG2-CG 4.15Å; I975-E979 WeakPolarHBondContact O-CB 3.5Å; I975-E979 PolarHBondContact O-N 2.85Å
980K28.5Very low29.2Very low105 Ų105123.1 Ų123.146%0.45760%0.6SS.*SBendtrans-86.7106.6167.8-65.7167.6-174.2158.90109.6M976 R982M976-K980 HydrophobicContact CB-CD 4.43Å; M976-K980 WeakPolarHBondContact O-CB 3.31Å; M976-K980 WeakPolarHBondContact O-CD 3.47Å; M976-K980 WeakPolarHBondContact O-CG 3.47Å; M976-K980 PolarHBondContact O-N 3.26Å; M976-K980 WeakPolarHBondContact SD-CE 3.38Å; M976-K980 PolarHBondContact SD-NZ 3.45Å; K980-R982 VanDerWaalsContact C-N 3.28Å; K980-R982 PolarHBondContact O-N 3.27Å
981G29.1Very low29Very low36 Ų36122.7 Ų122.737%0.37161%0.606SS.*  trans-68.175.6176.700000114.3F983G981-F983 VanDerWaalsContact C-N 3.27Å; G981-F983 PolarHBondContact O-N 3.47Å
982R25.1Very low28.5Very low194 Ų194124.1 Ų124.173%0.73262%0.618SS**  trans-87.275.6151-81.6-168.9-68.2-174.90.6108.5D977 K980D977-R982 IonicContact OD1-NH2 2.84Å; K980-R982 VanDerWaalsContact C-N 3.28Å; K980-R982 PolarHBondContact O-N 3.27Å
983F29.5Very low28.5Very low136 Ų136126 Ų12660%0.59663%0.629SS**  trans-132.735.1173-133.6-79.6000111.2G981 V986G981-F983 VanDerWaalsContact C-N 3.27Å; G981-F983 PolarHBondContact O-N 3.47Å; F983-V986 HydrophobicContact CD1-CB 4.43Å; F983-V986 HydrophobicContact CD1-CG2 4.13Å; F983-V986 HydrophobicContact CE1-CB 3.81Å; F983-V986 HydrophobicContact CE1-CG2 3.47Å; F983-V986 VanDerWaalsContact CE1-CG2 3.47Å; F983-V986 HydrophobicContact CE2-CG2 4.43Å; F983-V986 HydrophobicContact CZ-CB 4.41Å; F983-V986 HydrophobicContact CZ-CG2 3.65Å
984E26.3Very low28.3Very low156 Ų156132 Ų13273%0.72964%0.642SS**SBendtrans-92.8-10.2166.5-68.5-179.7141.800111.6
985E26Very low28.1Very low176 Ų176135.1 Ų135.182%0.82266%0.662SS**SBendtrans-103.644.9175.7-68.8177.5122.400113.1
986V27.8Very low27.7Very low60 Ų60138.3 Ų138.336%0.36468%0.681SS.*SBendtrans-142.641.4156.7-1560000111.2F983F983-V986 HydrophobicContact CD1-CB 4.43Å; F983-V986 HydrophobicContact CD1-CG2 4.13Å; F983-V986 HydrophobicContact CE1-CB 3.81Å; F983-V986 HydrophobicContact CE1-CG2 3.47Å; F983-V986 VanDerWaalsContact CE1-CG2 3.47Å; F983-V986 HydrophobicContact CE2-CG2 4.43Å; F983-V986 HydrophobicContact CZ-CB 4.41Å; F983-V986 HydrophobicContact CZ-CG2 3.65Å
987L26.9Very low27.5Very low171 Ų171142.6 Ų142.690%0.89570%0.7SS**SBendtrans-125.12162.9-89.8170.9000112.8
988E24.1Very low27.4Very low164 Ų164145.2 Ų145.277%0.76671%0.712SS**  trans-113.471.5166.4-67.9-172.6165.900109.2T990E988-T990 VanDerWaalsContact C-N 3.32Å; E988-T990 HydrophobicContact CB-CG2 4.31Å; E988-T990 PolarHBondContact O-N 3.41Å
989D26.9Very low27.1Very low146 Ų146144.1 Ų144.178%0.78172%0.718SS**  trans-7894.6147.4-84.1-40.8000105.5D991D989-D991 PolarHBondContact O-N 2.61Å
990T24.6Very low27.1Very low107 Ų107148 Ų14866%0.65673%0.728SS**  trans-74.673.217853.20000111.2E988 S992E988-T990 VanDerWaalsContact C-N 3.32Å; E988-T990 HydrophobicContact CB-CG2 4.31Å; E988-T990 PolarHBondContact O-N 3.41Å; T990-S992 PolarHBondContact O-N 2.87Å
991D27.1Very low27Very low171 Ų171149.8 Ų149.891%0.91474%0.742SS**  trans-87.258.6157.2-85.7-26.3000109.8D989D989-D991 PolarHBondContact O-N 2.61Å
992S24.5Very low27Very low82 Ų82154.3 Ų154.357%0.57376%0.758SS**SBendtrans-138.2116.4157.663.30000108.5T990T990-S992 PolarHBondContact O-N 2.87Å
993D29.8Very low27.2Very low144 Ų144152 Ų15277%0.7776%0.76SS**SBendtrans69.363.4159.1-45.9-11.5000116.9
994R26.7Very low27.2Very low245 Ų245152.1 Ų152.193%0.92577%0.767SS**SBendtrans-140.232.3146.8-133.9178.5-174.4-149.8-5.9118
995L28.4Very low27.5Very low168 Ų168151.9 Ų151.988%0.8877%0.771SS**  trans-133.166.5157-79.2-179.3000111.1
996D26.9Very low27.6Very low148 Ų148150.6 Ų150.679%0.79177%0.77SS**  trans-124.474.1160.1-94.1-16.1000108
997Q26.8Very low27.8Very low177 Ų177154.8 Ų154.883%0.82779%0.79SS**  trans178.756.5158.5-104.8170.637.600112.6
998I26.5Very low28Very low161 Ų161153.7 Ų153.783%0.82678%0.78SS**SBend-130.4129.5121.3-63.5-172.6000104.9
999D26.6Very low28.5Very low136 Ų136155.7 Ų155.773%0.72778%0.783SS**  trans-72.3131.9-168.1-41.6-91.3000111.6
1000Y30.2Very low28.6Very low224 Ų224152.1 Ų152.188%0.87878%0.78SS**  trans-98.2164.5136.9-81-85.3000106.8
1001D26.9Very low28.7Very low143 Ų143154.5 Ų154.577%0.76579%0.788SS**  trans99.2125.7-160.5-57.7-1.3000109.9
1002D29Very low29Very low131 Ų131153.6 Ų153.670%0.70178%0.784SS**  cis-161.5-163.3-4-116.1-17000109
1003D28.8Very low29.3Very low145 Ų145156.5 Ų156.578%0.77579%0.793SS**  trans76.4136.3171.3-47.4-25.6000115.9
1004D29.5Very low29.4Very low139 Ų139155.1 Ų155.174%0.74379%0.789SS**  cis167.2-165.2-31.7-101.1-15.6000104.9
1005D33Very low29.7Very low152 Ų152147.2 Ų147.281%0.81377%0.768SS**  trans76.282.8-170.7-59.6-16.9000112.8
1006D28.7Very low29.8Very low149 Ų149141.5 Ų141.580%0.79774%0.738SS**  75.3162.468.5-81.7-34.9000115.8
1007D32.5Very low30.1Very low148 Ų148137.3 Ų137.379%0.79172%0.716SS**  trans70.2146.9171.2-65.6-15.9000119
1008E31.1Very low30.3Very low147 Ų147135.1 Ų135.169%0.68771%0.71SS**  cis-157175-31.2-145.3-171.9-166.600109.3
1009Y33.3Very low30.5Very low207 Ų207133 Ų13381%0.81270%0.701SS**  trans-5.7148.5174.7-63.1-63.4000123
1010G28.8Very low30.7Very low70 Ų70131.6 Ų131.672%0.72269%0.693SS**  130146.111000000117.9
1011D28.4Very low30.7Very low157 Ų157127.6 Ų127.684%0.8469%0.687SS**  trans-76.7140.9161-56.6-81.3000109.9
1012D32.7Very low30.6Very low152 Ų152124.5 Ų124.581%0.81368%0.676SS**  178.3136.1122.7-91.9-16.8000112.8
1013D30.6Very low30.5Very low143 Ų143124.4 Ų124.477%0.76568%0.676SS**  trans29.5124.9147-77.7-7.7000124.2
1014V32.6Very low30.4Very low115 Ų115124.9 Ų124.970%0.69767%0.673SS**  78.3112.5123.3-1790000120.8
1015V32.1Very low30.2Very low79 Ų79123.9 Ų123.948%0.47967%0.673SS.*  cis143.803.7144.30000104.8E1698 R1699V1015-E1698 VanDerWaalsContact C-CB 3.45Å; V1015-E1698 CarbonylContact C-O 3.58Å; V1015-E1698 WeakPolarHBondContact CA-O 3.22Å; V1015-E1698 WeakPolarHBondContact CB-O 3.26Å; V1015-E1698 VanDerWaalsContact CG1-C 3.41Å; V1015-E1698 WeakPolarHBondContact CG1-O 3.4Å; V1015-E1698 WeakPolarHBondContact O-CB 3.37Å; V1015-R1699 HydrophobicContact CB-CB 3.68Å; V1015-R1699 HydrophobicContact CG1-CB 4.36Å; V1015-R1699 HydrophobicContact CG2-CB 3.76Å
1016D31.1Very low30.1Very low48 Ų48123.4 Ų123.426%0.25768%0.675SS.*  0-137.20-129.6-60000114.1E1698 R1699 S1700D1016-E1698 VanDerWaalsContact CA-CG 3.47Å; D1016-E1698 VanDerWaalsContact CB-CA 3.44Å; D1016-E1698 HydrophobicContact CB-CB 3.71Å; D1016-E1698 HydrophobicContact CB-CG 3.53Å; D1016-E1698 VanDerWaalsContact N-CG 3.29Å; D1016-E1698 PolarHBondContact N-O 3.16Å; D1016-R1699 VanDerWaalsContact CA-CD 3.45Å; D1016-R1699 VanDerWaalsContact CA-CG 3.49Å; D1016-R1699 VanDerWaalsContact CA-N 3.27Å; D1016-R1699 VanDerWaalsContact CB-CA 3.46Å; D1016-R1699 HydrophobicContact CB-CB 3.51Å; D1016-R1699 HydrophobicContact CB-CG 3.84Å; D1016-R1699 VanDerWaalsContact CG-CA 3.42Å; D1016-R1699 VanDerWaalsContact CG-CB 3.43Å; D1016-R1699 VanDerWaalsContact N-N 3.16Å; D1016-R1699 VanDerWaalsContact O-CZ 3.29Å; D1016-R1699 PolarHBondContact O-NH1 3.21Å; D1016-R1699 WeakPolarHBondContact OD1-CG 3.46Å; D1016-R1699 IonicContact OD1-CZ 2.72Å; D1016-R1699 IonicContact OD1-NE 2.7Å; D1016-R1699 PolarHBondContact OD1-NE 2.68Å; D1016-R1699 IonicContact OD1-NH2 2.69Å; D1016-R1699 PolarHBondContact OD1-NH2 3.11Å; D1016-R1699 WeakPolarHBondContact OD2-CA 3.44Å; D1016-R1699 VanDerWaalsContact OD2-CB 3.29Å; D1016-R1699 WeakPolarHBondContact OD2-CB 3.5Å; D1016-R1699 VanDerWaalsContact OD2-CG 3.31Å; D1016-R1699 WeakPolarHBondContact OD2-CG 3.05Å; D1016-R1699 PolarHBondContact OD2-N 2.98Å; D1016-S1700 PolarHBondContact OD2-N 2.9Å; D1016-S1700 VanDerWaalsContact OD2-N 3.1Å
1017D32.9Very low29.9Very low60 Ų60120.9 Ų120.932%0.32168%0.675SS.*  cis-137.7175.1-4.4-124-24.6000117T1697 E1698 R1699D1017-T1697 WeakPolarHBondContact OD2-CG2 3.2Å; D1017-E1698 HydrophobicContact CB-CG 3.5Å; D1017-E1698 WeakPolarHBondContact OD2-CG 3.35Å; D1017-R1699 PolarHBondContact O-NH2 3.48Å
1018D31Very low29.7Very low131 Ų131117.3 Ų117.370%0.70167%0.673SS**  trans21.6153.7141.9-86.5-7.5000119.1
1019D31.1Very low29.6Very low118 Ų118117.6 Ų117.663%0.63168%0.684SS**  cis-160.7169.92-151.7-15.7000111.3
1020N30.5Very low29.3Very low106 Ų106110.9 Ų110.957%0.56768%0.678SS**  trans55.2125.9142.1-89.7-50.6000123.2
1021N29.2Very low29.2Very low139 Ų139113.3 Ų113.374%0.74368%0.684SS**  trans70.4163.6132.5-70.8-28.1000120.8
1022S25.8Very low29.1Very low79 Ų79109.9 Ų109.955%0.55267%0.672SS**  cis-178157.3-35.260.70000107.9
1023N26.4Very low28.9Very low128 Ų128109.7 Ų109.768%0.68467%0.671SS**  trans65.2161.3162.2-6823.6000115.1
1024E26.6Very low28.9Very low156 Ų156108.9 Ų108.973%0.72967%0.667SS**  cis-151.9178.9-14.3-120.5163.8144.400111
1025T25.6Very low28.6Very low118 Ų118113.3 Ų113.372%0.72467%0.671SS**  trans-28.8156.9164.557.50000117
1026V30.3Very low28.4Very low141 Ų141116.9 Ų116.986%0.85569%0.687SS**  -156161.960.11700000112
1027A26Very low28.2Very low97 Ų97120.9 Ų120.980%0.80271%0.708SS**  trans-99.1169.4-172.400000116.5
1028G27.5Very low27.8Very low73 Ų73124.6 Ų124.675%0.75373%0.728SS**  trans113.2143.8165.100000114.1
1029V29.2Very low27.6Very low153 Ų153127 Ų12793%0.92774%0.735SS**  cis-144.7153.1-5177.70000107.2
1030G26.7Very low27.5Very low66 Ų66127.3 Ų127.368%0.6874%0.736SS**  trans-103.1178.1-172.400000116.8
1031S26.8Very low27.2Very low121 Ų121127.7 Ų127.785%0.84674%0.742SS**  trans73.8133.6178-143.50000115.2
1032S25.7Very low27.1Very low84 Ų84128.1 Ų128.159%0.58774%0.743SS**  cis-167.1-175.8-8.135.20000110.8
1033D29.7Very low27.1Very low149 Ų149130.7 Ų130.780%0.79775%0.75SS**  trans92.4166.1154.2-49.2-56000119.6
1034D29.7Very low27.2Very low125 Ų125129.2 Ų129.267%0.66875%0.75SS**  trans-75.2137.8-149.3-90.7-86.4000117.9
1035R27.6Very low27.1Very low209 Ų209128.3 Ų128.379%0.78975%0.746SS**  trans50.8118.9139.2-58.6175.8-148.8-150.11.5121.8
1036D27.3Very low27.2Very low154 Ų154132.6 Ų132.682%0.82475%0.749SS**  -164.2144.3128.5-103.3-21000106.4
1037L26.2Very low27Very low132 Ų132132.2 Ų132.269%0.69174%0.741SS**  cis67.2128.130.5-59.5175.7000113.6
1038N25.5Very low26.9Very low138 Ų138133.7 Ų133.774%0.73874%0.735SS**  cis-166.3141.7-10.2-136.610.5000108.7
1039E27.2Very low26.8Very low182 Ų182136.3 Ų136.385%0.8573%0.732SS**  trans-145.286.6161.7-129.7169.2-157.900109.8
1040L27.9Very low26.7Very low123 Ų123137.8 Ų137.864%0.64473%0.726SS**  85.493.294.5-75.6175.4000113
1041T24.4Very low26.6Very low115 Ų115143.1 Ų143.171%0.70673%0.733SS**  77150.393.157.80000114.5
1042I27.5Very low26.7Very low148 Ų148144.4 Ų144.476%0.75973%0.73SS**  cis-151160.448.8-73.3173.8000112.5
1043D24.8Very low26.7Very low132 Ų132150.8 Ų150.871%0.70674%0.741SS**  trans-24.9168.2163.3-59.3-91.6000119.6
1044S28.3Very low26.5Very low98 Ų98149.3 Ų149.369%0.68574%0.737SS**  cis-168.3140.438.873.80000120.3
1045Q25.7Very low26.3Very low136 Ų136151.8 Ų151.864%0.63674%0.742SS**  64.9134.6125.2-73.6-16932.900125.9
1046R26.4Very low26.2Very low209 Ų209147.2 Ų147.279%0.78974%0.738SS**  trans80.1155.8135.7-76.9176.1169.51720.9120.9
1047I26.7Very low26Very low132 Ų132149.9 Ų149.968%0.67774%0.736SS**  cis-167.8141-34.6-135176.3000112.1
1048N24.4Very low25.9Very low128 Ų128149.4 Ų149.468%0.68474%0.735SS**  trans58.1125.7152.6-70.4-22.1000124.6
1049N24.3Very low26.1Very low129 Ų129152.1 Ų152.169%0.6974%0.736SS**  115.2131.7110.8-101.1-41.1000123.4
1050K27.6Very low26Very low183 Ų183153.2 Ų153.280%0.79673%0.732SS**  trans92.4109.7141.6-74.5173.5-179.4177.20123.3
1051Q25.6Very low25.9Very low179 Ų179152.4 Ų152.484%0.83674%0.737SS**  trans-9.9143.7140.2-54.7173.7-8.900119.2
1052L27.7Very low26.1Very low148 Ų148151.6 Ų151.678%0.77574%0.736SS**  -179.3123.3115.1-98.6161000117
1053R26.8Very low26.2Very low217 Ų217152.4 Ų152.482%0.81974%0.736SS**  trans42.8105.3145.3-75.2177.81791720122.6
1054T26Very low26.4Very low118 Ų118151.9 Ų151.972%0.72473%0.732SS**  9.9131.8120.367.40000120.8
1055K25.3Very low26.2Very low177 Ų177157.8 Ų157.877%0.7774%0.739SS**  156.5124.8108.3-90.4-169.4179.1173.40117.2
1056T24.2Very low26.2Very low114 Ų114161.2 Ų161.270%0.69975%0.746SS**  trans69157.4137.368.30000119.5
1057R24.4Very low26.3Very low210 Ų210161.8 Ų161.879%0.79275%0.749SS**  cis-168.5164.5-0.3-129.7176.6174154.2-0.3114.2
1058N24.2Very low26.1Very low122 Ų122161.3 Ų161.365%0.65274%0.744SS**  trans70.1158.8157.8-50.9-30.6000116
1059Y29.3Very low26.6Very low194 Ų194160.6 Ų160.676%0.76175%0.746SS**  cis-115150.612-101.2-124.8000111.5
1060R25.2Very low26.7Very low205 Ų205165.8 Ų165.877%0.77476%0.756SS**  53.9136.374.5-73.3-178.9173.3-171.3-1.8113.6
1061S25.5Very low26.6Very low107 Ų107162.1 Ų162.175%0.74875%0.754SS**  cis-166.3162.86.842.60000109.8
1062S28.7Very low26.7Very low97 Ų97157.6 Ų157.668%0.67874%0.741SS**  179.4145.47547.10000115.2
1063H29Very low26.6Very low166 Ų166158.5 Ų158.577%0.76975%0.746SS**  trans60.3132.5154.6-73.7-120.1000120.3
1064I28.2Very low26.3Very low121 Ų121154 Ų15462%0.62175%0.746SS**  cis119.3118.920.4-84164.8000107.7
1065W26Very low26.6Very low221 Ų221154.4 Ų154.484%0.83775%0.751SS**  -130.4157.460.4-87.674.1000117.3
1066R24.1Very low26.6Very low208 Ų208153.7 Ų153.779%0.78576%0.755SS**  trans-115.9163164.2-61176.5173.1-169.9-2.1109.7
1067R28.1Very low26.9Very low221 Ų221154.1 Ų154.183%0.83476%0.76SS**  -165.4151.8121.8-78-148.7-179.9176.1-0.2109.7
1068Q22.8Very low27Very low122 Ų122149.3 Ų149.357%0.5776%0.758SS**  cis-166.1141.1-22.5-109.6-68.7-2.200107.2
1069P35.7Very low27Very low113 Ų113149.6 Ų149.673%0.73477%0.765SS**  trans-137.8132.713835.9-24.1000113.4
1070W26.4Very low27.1Very low239 Ų239145.6 Ų145.691%0.90576%0.762SS**  trans-170.9165.6164-99.111.7000107.3
1071S26Very low27.2Very low106 Ų106140.5 Ų140.574%0.74176%0.758SS**  cis-155.1157.834.850.70000112
1072S27.4Very low27.1Very low83 Ų83145 Ų14558%0.5876%0.764SS**  cis-179.5165.2-10.951.80000111.8
1073L25.2Very low26.9Very low168 Ų168145.1 Ų145.188%0.8877%0.765SS**  trans90.3153.7158.9-66160.1000119.8
1074C21.3Very low26.7Very low121 Ų121142.2 Ų142.282%0.81876%0.764SS**  trans-129.9-158-160.7-340000110.1
1075P32.2Very low26.6Very low128 Ų128141.5 Ų141.583%0.83177%0.77SS**  cis-142.4-173.920.442.6-19.6000119.3
1076L24.1Very low26.5Very low162 Ų162135.5 Ų135.585%0.84876%0.762SS**  trans-71.5177-179.8-77.6158000115.2
1077P32.2Very low26.5Very low123 Ų123132.5 Ų132.580%0.79976%0.761SS**  cis-133.1-155.330.539.5-15.6000114.5
1078S25.3Very low26.4Very low109 Ų109127.7 Ų127.776%0.76276%0.756SS**  cis-154.1-154.313.963.30000114.9
1079T24.1Very low26.4Very low128 Ų128127.7 Ų127.779%0.78577%0.765SS**  trans-147.6-173.6-173.361.90000110
1080P32.4Very low26Very low109 Ų109128.5 Ų128.571%0.70877%0.768SS**  cis-141.9173.8-1.741.1-20.7000119.3
1081S25.9Very low25.8Very low99 Ų99121.5 Ų121.569%0.69276%0.761SS**  trans66.9119.3138.661.50000126.7
1082F25Very low26Very low200 Ų200123.5 Ų123.588%0.87777%0.769SS**  trans80.6130.4132.7-88.2-72.5000126.2
1083S24.1Very low25.9Very low100 Ų100126.9 Ų126.970%0.69978%0.78SS**  trans88.4113.1143.6680000123.3
1084S24.9Very low26.2Very low105 Ų105124.7 Ų124.773%0.73478%0.777SS**  trans59.1120.3136.160.10000124.4
1085S25.2Very low26.3Very low106 Ų106124 Ų12474%0.74177%0.773SS**  101.7126.9124.673.10000122.8
1086S24.7Very low26.3Very low96 Ų96122.9 Ų122.967%0.67177%0.766SS**  trans68.4118.7144600000123
1087N24.4Very low26.4Very low145 Ų145120.8 Ų120.878%0.77576%0.76SS**  88.2128.9129.1-68.3-5.1000123.4
1088T24.7Very low26.3Very low119 Ų119121 Ų12173%0.7375%0.754SS**  trans76.7107.9140.647.20000122.2
1089T23.8Very low26.3Very low122 Ų122122.4 Ų122.475%0.74875%0.753SS**  84.9137.7129.950.90000123.3
1090T25.9Very low26.4Very low130 Ų130128.2 Ų128.280%0.79876%0.761SS**  trans69.683.2151.745.20000121.1
1091A23.9Very low26.2Very low92 Ų92132.4 Ų132.476%0.7677%0.771SS**  46.3121.7120.900000121.8
1092T29.1Very low26.2Very low148 Ų148137.7 Ų137.791%0.90878%0.781SS**  -169.5158.2107.318.70000113
1093N24.8Very low26.2Very low154 Ų154136.1 Ų136.182%0.82477%0.774SS**  trans-84.1168.3175.2-79.8-29.2000111.1
1094P31.1Very low26.3Very low123 Ų123141.2 Ų141.280%0.79978%0.784SS**  cis-143-176.426.542.6-22000118.9
1095S23.6Very low26.2Very low106 Ų106146.8 Ų146.874%0.74179%0.789SS**  trans-70.1-176.2176.3-22.60000113.5
1096P32.5Very low26.1Very low104 Ų104148.8 Ų148.868%0.67579%0.792SS**  cis-149.4172.32743.7-22.4000120.7
1097T27.6Very low26.1Very low119 Ų119150.2 Ų150.273%0.7380%0.796SS**  trans66147.215248.70000120.4
1098N29Very low26.1Very low128 Ų128148.7 Ų148.768%0.68480%0.797SS**  cis-155143.1-4.6-128.7-16.2000114.9
1099N26.1Very low26.2Very low137 Ų137151.2 Ų151.273%0.73381%0.805SS**  trans31.1118.8147.7-68.5-26.7000122.5
1100R26.4Very low26.3Very low251 Ų251150.4 Ų150.495%0.94780%0.795SS**  -170.8110.5105.4-103.6175.2-179.4-175.31.3112.4
1101Q27.9Very low26.2Very low197 Ų197150.1 Ų150.192%0.92179%0.789SS**  trans-121.1147.6164.1-101.1-179.4-23.300109.9
1102K24.5Very low26.3Very low210 Ų210148.5 Ų148.591%0.91377%0.771SS**PPolyproline II helixtrans-80.8131167-66.8176.6177.9177.80108.3
1103K26.1Very low26.2Very low166 Ų166145.9 Ų145.972%0.72276%0.757SS**PPolyproline II helixtrans-89.5116.7169.2-76.7-167.5171.7-166.30110.5
1104F25.2Very low26.3Very low208 Ų208147.6 Ų147.691%0.91275%0.753SS**PPolyproline II helixtrans-77.1161.3135.8-87.1-104.1000108.2
1105W24.1Very low25.9Very low221 Ų221150.5 Ų150.584%0.83776%0.756SS**  trans-116.3134.5177.4-73.477.2000109.2
1106D23.2Very low26.1Very low149 Ų149148.7 Ų148.780%0.79774%0.743SS**  trans-136171.3167.8-164.26.8000109.4
1107T24.6Very low25.9Very low125 Ų125155 Ų15577%0.76775%0.754SS**  trans-94.4140.4-159.355.10000113.5
1108S24.6Very low26.1Very low113 Ų113155.1 Ų155.179%0.7976%0.755SS**  trans-169.9142.1158.143.10000111.1
1109L27Very low26.1Very low173 Ų173152.1 Ų152.191%0.90674%0.744SS**  trans-165.9102.8157.3-114.4174.4000109.7
1110I24.6Very low26.4Very low105 Ų105152.6 Ų152.654%0.53874%0.744SS.*  trans-129.4157.6178.1-63.7-178.6000108.6
1111N24.6Very low26.7Very low123 Ų123144.5 Ų144.566%0.65872%0.718SS**  trans79.6106.6175.3-61.6-46000119.1
1112C24.5Very low27.2Very low59 Ų59137.5 Ų137.540%0.39969%0.686SS.*  trans-161.8115.2146.41750000110S1131 H1133C1112-S1131 PolarHBondContact SG-OG 3.48Å; C1112-H1133 VanDerWaalsContact SG-CD2 3.56Å
1113P28.5Very low27.7Very low93 Ų93129.8 Ų129.860%0.60466%0.655SS**  trans-90.7160.3173.336.4-34.8000112.1
1114Y26.4Very low28.3Very low190 Ų190122.7 Ų122.775%0.74563%0.625SS**  trans-170.4161.9145.7-113.7-72.3000114.1
1115Q23.5Very low28.7Very low183 Ų183115.2 Ų115.286%0.85559%0.594SS**  trans-86.2168.8172.7-63.6-178.5-9.400112.9
1116S27Very low29.3Very low68 Ų68106.8 Ų106.848%0.47657%0.569SS.*  trans-131.5160-172.161.20000115.9
1117R28Very low29.7Very low237 Ų237100.5 Ų100.589%0.89453%0.534SS*.  trans-139.1178.9165-70.1-167177.3-169.40.6109.9
1118T31.3Very low30.1Very low122 Ų12295.9 Ų95.975%0.74850%0.504SS*.  trans-142.6130.3-146.354.50000117.2
1119S30.3Very low30.4Very low65 Ų6595.2 Ų95.246%0.45549%0.49SS..  trans-161.6177163.275.10000111.5Q1121 D1122S1119-Q1121 PolarHBondContact OG-N 3.26Å; S1119-D1122 WeakPolarHBondContact CA-OD2 3.13Å; S1119-D1122 WeakPolarHBondContact CB-OD2 3.09Å; S1119-D1122 PolarHBondContact N-OD2 2.83Å; S1119-D1122 PolarHBondContact O-N 3.06Å; S1119-D1122 VanDerWaalsContact OG-CG 3.25Å; S1119-D1122 PolarHBondContact OG-OD2 2.9Å
1120I31.4Very low30.4Very low146 Ų14692.9 Ų92.975%0.74948%0.477SS*.SBendtrans-70.6-35.3175.3-77.2175.8000112.2D1122 N1123I1120-D1122 PolarHBondContact O-N 2.78Å; I1120-D1122 VanDerWaalsContact O-N 3.17Å; I1120-N1123 PolarHBondContact O-N 2.98Å; I1120-N1123 VanDerWaalsContact O-N 3.09Å; I1120-N1123 PolarHBondContact O-ND2 2.99Å
1121Q33.5Very low30.6Very low82 Ų8289.5 Ų89.538%0.38346%0.463SS..THydrogen-bonded Turntrans-56.2-31.8175.9-164.374.1-1.100111.6S1119 N1123 L1124S1119-Q1121 PolarHBondContact OG-N 3.26Å; Q1121-N1123 VanDerWaalsContact C-N 3.26Å; Q1121-N1123 PolarHBondContact O-N 2.66Å; Q1121-L1124 PolarHBondContact O-N 2.95Å
1122D38.6Very low30.8Very low50 Ų5090 Ų9027%0.26747%0.466SS..Hα-helixtrans-70.5-16.7-178.1-57.7-45.3000113.5S1119 I1120 L1124 N1125 C1126S1119-D1122 WeakPolarHBondContact CA-OD2 3.13Å; S1119-D1122 WeakPolarHBondContact CB-OD2 3.09Å; S1119-D1122 PolarHBondContact N-OD2 2.83Å; S1119-D1122 PolarHBondContact O-N 3.06Å; S1119-D1122 VanDerWaalsContact OG-CG 3.25Å; S1119-D1122 PolarHBondContact OG-OD2 2.9Å; I1120-D1122 PolarHBondContact O-N 2.78Å; I1120-D1122 VanDerWaalsContact O-N 3.17Å; D1122-L1124 PolarHBondContact O-N 2.89Å; D1122-N1125 CarbonylContact O-C 3.46Å; D1122-N1125 PolarHBondContact O-N 3.48Å; D1122-C1126 VanDerWaalsContact O-CB 3.3Å; D1122-C1126 WeakPolarHBondContact O-CB 3.4Å; D1122-C1126 PolarHBondContact O-N 2.67Å; D1122-C1126 PolarHBondContact O-SG 2.96Å
1123N35.5Very low31Very low48 Ų4893 Ų9326%0.25747%0.473SS..Hα-helixtrans-63.4-32.7173.6-66.4-79.1000112P892 C893 I1120 Q1121 W1127P892-N1123 VanDerWaalsContact CA-OD1 3.3Å; P892-N1123 WeakPolarHBondContact CA-OD1 3.4Å; P892-N1123 WeakPolarHBondContact CB-OD1 3.39Å; C893-N1123 PolarHBondContact N-OD1 2.98Å; I1120-N1123 PolarHBondContact O-N 2.98Å; I1120-N1123 VanDerWaalsContact O-N 3.09Å; I1120-N1123 PolarHBondContact O-ND2 2.99Å; Q1121-N1123 VanDerWaalsContact C-N 3.26Å; Q1121-N1123 PolarHBondContact O-N 2.66Å; N1123-W1127 PolarHBondContact O-N 2.67Å
1124L37.8Very low30.9Very low16 Ų1696.5 Ų96.58%0.08449%0.487CS..Hα-helixtrans-76-37.1172.7-95.9165.2000112.2Q1121 D1122 C1126 W1127 L1128 L1180 L1412 S1413Q1121-L1124 PolarHBondContact O-N 2.95Å; D1122-L1124 PolarHBondContact O-N 2.89Å; L1124-C1126 VanDerWaalsContact C-N 3.29Å; L1124-C1126 PolarHBondContact O-N 2.96Å; L1124-W1127 WeakPolarHBondContact O-CB 3.3Å; L1124-W1127 PolarHBondContact O-N 3.46Å; L1124-L1128 VanDerWaalsContact O-CD1 3.27Å; L1124-L1128 WeakPolarHBondContact O-CD1 3.46Å; L1124-L1180 HydrophobicContact CD2-CD2 4.11Å; L1124-L1412 HydrophobicContact CD1-CB 3.61Å; L1124-L1412 VanDerWaalsContact CD1-O 3.29Å; L1124-L1412 WeakPolarHBondContact CD1-O 3.44Å; L1124-L1412 HydrophobicContact CG-CB 4.38Å; L1124-S1413 VanDerWaalsContact CD1-CA 3.42Å; L1124-S1413 VanDerWaalsContact CD1-CB 3.5Å
1125N34Very low30.8Very low51 Ų5195.2 Ų95.227%0.27349%0.492SS..Hα-helixtrans-69.2-28.1173.7-62.2-37.7000111.9D1122 W1127 L1128 M1129D1122-N1125 CarbonylContact O-C 3.46Å; D1122-N1125 PolarHBondContact O-N 3.48Å; N1125-W1127 VanDerWaalsContact C-N 3.28Å; N1125-W1127 PolarHBondContact O-N 2.96Å; N1125-L1128 CarbonylContact O-C 3.51Å; N1125-L1128 WeakPolarHBondContact O-CA 3.49Å; N1125-L1128 VanDerWaalsContact O-CB 3.26Å; N1125-L1128 WeakPolarHBondContact O-CB 3.34Å; N1125-L1128 PolarHBondContact O-N 3.36Å; N1125-L1128 VanDerWaalsContact O-N 3.11Å; N1125-M1129 WeakPolarHBondContact O-CG 3.44Å; N1125-M1129 PolarHBondContact O-N 3.37Å
1126C36.4Very low31Very low45 Ų4592 Ų9230%0.30449%0.486SS..Hα-helixtrans-72.9-18.5171.7-75.20000113.5C893 D1122 L1124 L1128C893-C1126 HydrophobicContact CB-CB 3.49Å; C893-C1126 VanDerWaalsContact CB-CB 3.49Å; D1122-C1126 VanDerWaalsContact O-CB 3.3Å; D1122-C1126 WeakPolarHBondContact O-CB 3.4Å; D1122-C1126 PolarHBondContact O-N 2.67Å; D1122-C1126 PolarHBondContact O-SG 2.96Å; L1124-C1126 VanDerWaalsContact C-N 3.29Å; L1124-C1126 PolarHBondContact O-N 2.96Å; C1126-L1128 PolarHBondContact O-N 3.24Å
1127W32.1Very low30.8Very low16 Ų1698.1 Ų98.16%0.06151%0.508CS..THydrogen-bonded Turntrans-69.90.7165.7-119.274.1000112.9I885 A888 L889 N1123 L1124 N1125 L1180 I1183I885-W1127 HydrophobicContact CB-CH2 4.49Å; I885-W1127 HydrophobicContact CG1-CH2 4.33Å; I885-W1127 HydrophobicContact CG2-CH2 3.79Å; I885-W1127 HydrophobicContact CG2-CZ2 4.07Å; A888-W1127 HydrophobicContact CB-CZ2 3.89Å; A888-W1127 PolarHBondContact O-NE1 3.05Å; L889-W1127 HydrophobicContact CD2-CD2 4.38Å; L889-W1127 HydrophobicContact CD2-CZ2 3.83Å; L889-W1127 HydrophobicContact CG-CZ2 3.83Å; N1123-W1127 PolarHBondContact O-N 2.67Å; L1124-W1127 WeakPolarHBondContact O-CB 3.3Å; L1124-W1127 PolarHBondContact O-N 3.46Å; N1125-W1127 VanDerWaalsContact C-N 3.28Å; N1125-W1127 PolarHBondContact O-N 2.96Å; W1127-L1180 HydrophobicContact CE3-CD1 3.6Å; W1127-L1180 HydrophobicContact CZ3-CD1 3.81Å; W1127-I1183 HydrophobicContact CZ3-CG2 4.42Å
1128L33.1Very low30.6Very low28 Ų2893.3 Ų93.315%0.14750%0.504CS..THydrogen-bonded Turntrans-150.4-25.9-150.4-99.1163.8000117.4L1124 N1125 C1126 I1130 N1177 L1180L1124-L1128 VanDerWaalsContact O-CD1 3.27Å; L1124-L1128 WeakPolarHBondContact O-CD1 3.46Å; N1125-L1128 CarbonylContact O-C 3.51Å; N1125-L1128 WeakPolarHBondContact O-CA 3.49Å; N1125-L1128 VanDerWaalsContact O-CB 3.26Å; N1125-L1128 WeakPolarHBondContact O-CB 3.34Å; N1125-L1128 PolarHBondContact O-N 3.36Å; N1125-L1128 VanDerWaalsContact O-N 3.11Å; C1126-L1128 PolarHBondContact O-N 3.24Å; L1128-I1130 PolarHBondContact O-N 3.38Å; L1128-N1177 HydrophobicContact CD1-CB 3.6Å; L1128-N1177 WeakPolarHBondContact CD1-ND2 3.48Å; L1128-N1177 HydrophobicContact CD2-CB 3.5Å; L1128-N1177 VanDerWaalsContact CD2-CB 3.5Å; L1128-N1177 WeakPolarHBondContact CD2-O 3.5Å; L1128-N1177 HydrophobicContact CG-CB 4.07Å; L1128-L1180 HydrophobicContact CD1-CB 3.47Å; L1128-L1180 VanDerWaalsContact CD1-CB 3.47Å; L1128-L1180 HydrophobicContact CD1-CD2 3.52Å; L1128-L1180 HydrophobicContact CD1-CG 4.03Å; L1128-L1180 HydrophobicContact CD2-CB 3.48Å; L1128-L1180 VanDerWaalsContact CD2-CB 3.48Å; L1128-L1180 HydrophobicContact CG-CB 3.62Å
1129M30.6Very low30.4Very low100 Ų10090 Ų9049%0.49349%0.486SS..  trans-75.9108.4-174.4-78.5-64.3-69.100113.2R853 N1125R853-M1129 PolarHBondContact NE-O 3.16Å; R853-M1129 VanDerWaalsContact NE-O 3.13Å; R853-M1129 PolarHBondContact NH2-O 3.23Å; N1125-M1129 WeakPolarHBondContact O-CG 3.44Å; N1125-M1129 PolarHBondContact O-N 3.37Å
1130I27.7Very low30.1Very low123 Ų12393.5 Ų93.563%0.63151%0.509SS*.PPolyproline II helixtrans-77.1127.5136.5-64.5176.2000106.9L1128L1128-I1130 PolarHBondContact O-N 3.38Å
1131S28.1Very low29.8Very low34 Ų3490.6 Ų90.624%0.23851%0.507CS..PPolyproline II helixtrans-87145.7-177.440.60000111.9C1112 H1133C1112-S1131 PolarHBondContact SG-OG 3.48Å; S1131-H1133 PolarHBondContact O-N 3.12Å
1132N28.9Very low29.4Very low134 Ų13494 Ų9472%0.71752%0.523SS*.PPolyproline II helixtrans-62.7120.7-171.3-66.3-21.1000114.2
1133H28Very low28.8Very low121 Ų12197 Ų9756%0.5654%0.542SS*.  trans-141.5144.2145.4-83.9-46.5000110.4C1112 S1131C1112-H1133 VanDerWaalsContact SG-CD2 3.56Å; S1131-H1133 PolarHBondContact O-N 3.12Å
1134N27Very low28.3Very low167 Ų167102.3 Ų102.389%0.89357%0.568SS**  trans-79.2119175.6-70.9-22000110.1
1135I24.5Very low27.7Very low164 Ų164109.4 Ų109.484%0.84161%0.605SS**  trans-160.2152.9162.6-111.8153.1000107.9
1136P26.3Very low27.2Very low115 Ų115111.4 Ų111.475%0.74763%0.628SS**  trans-81.7174.8-14430.1-38000116.9V1138P1136-V1138 PolarHBondContact O-N 3.11Å
1137Q24.5Very low26.6Very low197 Ų197115.2 Ų115.292%0.92166%0.655SS**  trans-42.3112.5-175.8-66.7176.7-22.200115.1
1138V23.8Very low26.3Very low136 Ų136121.5 Ų121.582%0.82469%0.69SS**  trans-122.7115.4147.9-179.60000106.1P1136P1136-V1138 PolarHBondContact O-N 3.11Å
1139S25.6Very low26Very low51 Ų51125.8 Ų125.836%0.35772%0.719SS.*  trans-90.9122.3-174.182.30000111.3A1141 Q1142S1139-A1141 PolarHBondContact O-N 3.08Å; S1139-Q1142 VanDerWaalsContact OG-CG 3.27Å; S1139-Q1142 WeakPolarHBondContact OG-CG 3.37Å; S1139-Q1142 PolarHBondContact OG-OE1 3.28Å
1140C24.8Very low25.7Very low140 Ų140129.8 Ų129.895%0.94674%0.739SS**THydrogen-bonded Turntrans-78.936.8163.1-640000111.4
1141A25.2Very low25.7Very low85 Ų85131.1 Ų131.170%0.70275%0.747SS**THydrogen-bonded Turntrans-134.93.1-173.300000113.6S1139S1139-A1141 PolarHBondContact O-N 3.08Å
1142Q25.8Very low25.6Very low153 Ų153138.6 Ų138.672%0.71578%0.778SS**  trans-120.840-175.8-71.2177.3-8600113.6S1139S1139-Q1142 VanDerWaalsContact OG-CG 3.27Å; S1139-Q1142 WeakPolarHBondContact OG-CG 3.37Å; S1139-Q1142 PolarHBondContact OG-OE1 3.28Å
1143V25.5Very low25.4Very low112 Ų112135.6 Ų135.668%0.67978%0.779SS**SBendtrans-116.114173.8-166.70000112
1144M24.7Very low25.3Very low160 Ų160134.7 Ų134.779%0.78879%0.786SS**SBendtrans-132.81.8179-98.9-71.9-172.900114.9
1145L24.2Very low25.2Very low166 Ų166133.5 Ų133.587%0.86978%0.78SS**SBendtrans-147.271.6-177.5-75177.5000112.8
1146A23.6Very low25.1Very low92 Ų92132.2 Ų132.276%0.7677%0.774SS**  trans-163.949.617000000116.2
1147S25.6Very low25Very low125 Ų125133.3 Ų133.387%0.87477%0.774SS**  trans-152.964.4171.2-85.30000115.1
1148L24.9Very low25Very low149 Ų149129.3 Ų129.378%0.7877%0.766SS**SBendtrans-139.9144.6148.3-92.7174.7000108.1
1149P26.9Very low25Very low118 Ų118128.2 Ų128.277%0.76676%0.76SS**PPolyproline II helixtrans-79.4132-163.930.3-34.6000112.8N1151P1149-N1151 PolarHBondContact O-N 3.46Å
1150M24.3Very low24.9Very low184 Ų184133.7 Ų133.791%0.90679%0.785SS**PPolyproline II helixtrans-77117.4163.4-68.2-140.674.800109.8
1151N28.3Very low24.8Very low150 Ų150131.4 Ų131.480%0.80277%0.77SS**PPolyproline II helixtrans-97143.2162.3-118.9-12.2000109.9P1149P1149-N1151 PolarHBondContact O-N 3.46Å
1152Q24.7Very low24.8Very low191 Ų191133.8 Ų133.889%0.89378%0.776SS**PPolyproline II helixtrans-60.2147.5-164-56.5160.18.600114.4
1153G25.2Very low24.7Very low72 Ų72133.1 Ų133.174%0.74278%0.782SS**  trans168.878.1170.800000117.8
1154S25.2Very low24.8Very low101 Ų101133.7 Ų133.771%0.70679%0.788SS**  trans16.3124.7151.3570000122.5
1155D25.4Very low24.7Very low143 Ų143132.1 Ų132.177%0.76579%0.787SS**  83.3115.2124.1-59.5-12.6000124.9
1156L23.4Very low24.8Very low136 Ų136132.7 Ų132.771%0.71279%0.79SS**  trans66.5108.4133-83.879.2000123
1157N22.9Very low24.8Very low139 Ų139132.5 Ų132.574%0.74378%0.783SS**  89.3149.5120-75.6-1.5000123.4
1158C25.7Very low24.6Very low113 Ų113133.3 Ų133.376%0.76478%0.778SS**  trans72.8142.5164.3-63.40000118.7
1159T23.5Very low24.6Very low113 Ų113133.5 Ų133.569%0.69378%0.78SS**  177.3135.5-56.232.10000108.4
1160L22.8Very low24.4Very low166 Ų166136.6 Ų136.687%0.86978%0.784SS**  trans63.5154.2165.6-84.977.5000115.4
1161S22.5Very low24.5Very low91 Ų91135.5 Ų135.564%0.63678%0.78SS**  cis-166.1150.4-7.545.10000109.9
1162T25.5Very low24.3Very low135 Ų135136.5 Ų136.583%0.82878%0.78SS**  172.699.8124.638.90000112.4
1163V25Very low24.3Very low140 Ų140134.5 Ų134.585%0.84878%0.775SS**  trans-141.8129.4143.3-179.60000105.8
1164P26.7Very low24.4Very low124 Ų124136.3 Ų136.381%0.80577%0.768SS**  trans-84.6161.2-17033.1-36.1000114.1
1165V22.9Very low24.6Very low126 Ų126137.3 Ų137.376%0.76478%0.775SS**  trans-83.1141.1176.3174.40000111.2
1166L26.2Very low25.1Very low179 Ų179134.7 Ų134.794%0.93776%0.757SS**  trans-124.7143.7143.1-89.5173.5000108.7
1167S22.6Very low26.5Very low88 Ų88129.7 Ų129.762%0.61573%0.731SS**  trans-119.3150.4-163.250.50000113.2
1168N23.3Very low28Very low142 Ų142129.7 Ų129.776%0.75973%0.729SS**  trans42.9109.8154.1-57.4-0.5000118.2
1169N23.1Very low29.5Very low153 Ų153127.8 Ų127.882%0.81871%0.71SS**  -163.5158.897.7-92.3-21.5000111.4
1170E23.3Very low31.2Very low182 Ų182122.7 Ų122.785%0.8568%0.679SS**  trans51.9104.3166.7-65.2179-173.900118.6
1171I27.2Very low33.3Very low161 Ų161117.8 Ų117.883%0.82665%0.653SS**  -161126.9125.5-97.5149.2000108.1
1172Q22.9Very low35.7Very low172 Ų172115.5 Ų115.580%0.80464%0.637SS**  trans-103150.7160-74.2-174.9-17.100108.4
1173N25.4Very low38.1Very low149 Ų149109.3 Ų109.380%0.79760%0.599SS**  trans5683.2168.8-57.8-27.6000116.2
1174D27.5Very low40.8Very low109 Ų109103 Ų10358%0.58356%0.561SS**  trans-147.7106.2142.9-123.1-24.8000114.8K1176D1174-K1176 WeakPolarHBondContact OD1-CD 3.44Å; D1174-K1176 WeakPolarHBondContact OD1-CE 3.45Å; D1174-K1176 VanDerWaalsContact OD1-CG 3.23Å; D1174-K1176 WeakPolarHBondContact OD1-CG 3.31Å; D1174-K1176 IonicContact OD1-NZ 3.1Å; D1174-K1176 PolarHBondContact OD1-NZ 3.01Å; D1174-K1176 IonicContact OD2-NZ 3.5Å; D1174-K1176 PolarHBondContact OD2-NZ 3.16Å
1175S28.2Very low43.3Very low123 Ų12398.6 Ų98.686%0.8653%0.533SS*.  trans-141.371.1175.464.30000109.5
1176K37.2Very low46.3Very low87 Ų8793.2 Ų93.238%0.37850%0.499SS..  trans-99.7131.7-170.4-74.5172-174.4136.30112.7D1174 I1178 N1415D1174-K1176 WeakPolarHBondContact OD1-CD 3.44Å; D1174-K1176 WeakPolarHBondContact OD1-CE 3.45Å; D1174-K1176 VanDerWaalsContact OD1-CG 3.23Å; D1174-K1176 WeakPolarHBondContact OD1-CG 3.31Å; D1174-K1176 IonicContact OD1-NZ 3.1Å; D1174-K1176 PolarHBondContact OD1-NZ 3.01Å; D1174-K1176 IonicContact OD2-NZ 3.5Å; D1174-K1176 PolarHBondContact OD2-NZ 3.16Å; K1176-I1178 PolarHBondContact O-N 3.47Å; K1176-N1415 WeakPolarHBondContact CD-ND2 3.36Å
1177N52Low49.2Very low31 Ų3184.7 Ų84.717%0.16646%0.455CS..  68.329.9125.8-57.9-13.5000121.9L1128 M1179 L1180 D1181L1128-N1177 HydrophobicContact CD1-CB 3.6Å; L1128-N1177 WeakPolarHBondContact CD1-ND2 3.48Å; L1128-N1177 HydrophobicContact CD2-CB 3.5Å; L1128-N1177 VanDerWaalsContact CD2-CB 3.5Å; L1128-N1177 WeakPolarHBondContact CD2-O 3.5Å; L1128-N1177 HydrophobicContact CG-CB 4.07Å; N1177-M1179 VanDerWaalsContact C-N 3.28Å; N1177-M1179 PolarHBondContact O-N 2.7Å; N1177-L1180 PolarHBondContact O-N 3.19Å; N1177-D1181 PolarHBondContact O-N 3.2Å
1178I54Low52.2Low139 Ų13981.7 Ų81.771%0.71343%0.432SS*.Hα-helixtrans-39.2-45.7177.8-57.4173.5000115K1176 S1182K1176-I1178 PolarHBondContact O-N 3.47Å; I1178-S1182 WeakPolarHBondContact O-CB 3.38Å; I1178-S1182 PolarHBondContact O-N 2.65Å; I1178-S1182 PolarHBondContact O-OG 2.88Å
1179M57.8Low55.1Low74 Ų7478 Ų7837%0.36541%0.409SS..Hα-helixtrans-70.5-39.4-175.9-174.4178.5-80.100113.2H856 N1177 S1182 I1183H856-M1179 HydrophobicContact CB-SD 3.99Å; N1177-M1179 VanDerWaalsContact C-N 3.28Å; N1177-M1179 PolarHBondContact O-N 2.7Å; M1179-S1182 PolarHBondContact O-N 3.44Å; M1179-I1183 HydrophobicContact CG-CD1 4.13Å; M1179-I1183 WeakPolarHBondContact O-CG1 3.3Å; M1179-I1183 PolarHBondContact O-N 3.29Å
1180L60.3Low58.1Low6 Ų670.7 Ų70.73%0.03137%0.37CS..Hα-helixtrans-66.6-46175.9177.274.2000110.1L1124 W1127 L1128 N1177 S1182 I1183 I1184L1124-L1180 HydrophobicContact CD2-CD2 4.11Å; W1127-L1180 HydrophobicContact CE3-CD1 3.6Å; W1127-L1180 HydrophobicContact CZ3-CD1 3.81Å; L1128-L1180 HydrophobicContact CD1-CB 3.47Å; L1128-L1180 VanDerWaalsContact CD1-CB 3.47Å; L1128-L1180 HydrophobicContact CD1-CD2 3.52Å; L1128-L1180 HydrophobicContact CD1-CG 4.03Å; L1128-L1180 HydrophobicContact CD2-CB 3.48Å; L1128-L1180 VanDerWaalsContact CD2-CB 3.48Å; L1128-L1180 HydrophobicContact CG-CB 3.62Å; N1177-L1180 PolarHBondContact O-N 3.19Å; L1180-S1182 PolarHBondContact O-N 3.09Å; L1180-I1183 CarbonylContact O-C 3.35Å; L1180-I1183 PolarHBondContact O-N 2.75Å; L1180-I1184 HydrophobicContact CD1-CD1 3.95Å; L1180-I1184 HydrophobicContact CD1-CG1 4.14Å; L1180-I1184 HydrophobicContact CD2-CD1 3.85Å; L1180-I1184 HydrophobicContact CG-CD1 3.57Å; L1180-I1184 HydrophobicContact CG-CG1 4.11Å; L1180-I1184 WeakPolarHBondContact O-CB 3.41Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.46Å; L1180-I1184 PolarHBondContact O-N 2.95Å
1181D67.1Low61.2Low62 Ų6262.1 Ų62.133%0.33233%0.33SS..Hα-helixtrans-65.1-31.2-178.2-61.7-37.2000111N1177 S1185 N1416N1177-D1181 PolarHBondContact O-N 3.2Å; D1181-S1185 WeakPolarHBondContact O-CB 3.24Å; D1181-S1185 PolarHBondContact O-N 3.22Å; D1181-N1416 PolarHBondContact OD1-ND2 3.06Å
1182S71.4Confident63.8Low43 Ų4355.8 Ų55.830%0.30130%0.302SS..Hα-helixtrans-65.5-46.5168.3-57.30000112.6I1178 M1179 L1180 S1185 L1186I1178-S1182 WeakPolarHBondContact O-CB 3.38Å; I1178-S1182 PolarHBondContact O-N 2.65Å; I1178-S1182 PolarHBondContact O-OG 2.88Å; M1179-S1182 PolarHBondContact O-N 3.44Å; L1180-S1182 PolarHBondContact O-N 3.09Å; S1182-S1185 WeakPolarHBondContact O-CB 3.16Å; S1182-S1185 PolarHBondContact O-N 3.3Å; S1182-L1186 WeakPolarHBondContact O-CG 3.49Å; S1182-L1186 PolarHBondContact O-N 2.88Å
1183I77.2Confident66.6Low5 Ų550.8 Ų50.83%0.02628%0.275CS..Hα-helixtrans-65.1-40.8176.7-71170.1000111.3F860 L863 W1127 M1179 L1180 L1186 L1187F860-I1183 HydrophobicContact CB-CD1 4.48Å; F860-I1183 HydrophobicContact CB-CG1 4.28Å; F860-I1183 HydrophobicContact CD2-CG1 4.22Å; L863-I1183 HydrophobicContact CD1-CG2 4.06Å; W1127-I1183 HydrophobicContact CZ3-CG2 4.42Å; M1179-I1183 HydrophobicContact CG-CD1 4.13Å; M1179-I1183 WeakPolarHBondContact O-CG1 3.3Å; M1179-I1183 PolarHBondContact O-N 3.29Å; L1180-I1183 CarbonylContact O-C 3.35Å; L1180-I1183 PolarHBondContact O-N 2.75Å; I1183-L1186 PolarHBondContact O-N 3.17Å; I1183-L1187 HydrophobicContact CG2-CD1 4.12Å; I1183-L1187 HydrophobicContact CG2-CG 4.38Å; I1183-L1187 WeakPolarHBondContact O-CG 3.41Å; I1183-L1187 PolarHBondContact O-N 3.37Å
1184I80.4Confident69.3Low9 Ų943.9 Ų43.95%0.04624%0.238CC..Hα-helixtrans-64.3-42.5174.9-69.3171.7000110.3L1180 L1186 L1187 I1188 L1406 I1409 N1416 I1420L1180-I1184 HydrophobicContact CD1-CD1 3.95Å; L1180-I1184 HydrophobicContact CD1-CG1 4.14Å; L1180-I1184 HydrophobicContact CD2-CD1 3.85Å; L1180-I1184 HydrophobicContact CG-CD1 3.57Å; L1180-I1184 HydrophobicContact CG-CG1 4.11Å; L1180-I1184 WeakPolarHBondContact O-CB 3.41Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.46Å; L1180-I1184 PolarHBondContact O-N 2.95Å; I1184-L1186 VanDerWaalsContact C-N 3.31Å; I1184-L1186 PolarHBondContact O-N 2.93Å; I1184-L1187 PolarHBondContact O-N 3.28Å; I1184-I1188 HydrophobicContact CG2-CD1 3.89Å; I1184-I1188 HydrophobicContact CG2-CG1 4.49Å; I1184-I1188 WeakPolarHBondContact O-CB 3.45Å; I1184-I1188 WeakPolarHBondContact O-CG1 3.32Å; I1184-I1188 PolarHBondContact O-N 3.45Å; I1184-L1406 HydrophobicContact CG2-CD2 4.45Å; I1184-I1409 HydrophobicContact CD1-CG2 3.69Å; I1184-I1409 HydrophobicContact CG1-CG2 4.17Å; I1184-N1416 WeakPolarHBondContact CD1-ND2 3.34Å; I1184-I1420 HydrophobicContact CD1-CD1 4.27Å; I1184-I1420 HydrophobicContact CG2-CD1 4.05Å; I1184-I1420 HydrophobicContact CG2-CG1 4.14Å
1185S80.6Confident71.5Confident31 Ų3142.2 Ų42.222%0.21722%0.224CC..Hα-helixtrans-59.1-42.4173.3-170.60000111.6D1181 S1182 I1188 K1189D1181-S1185 WeakPolarHBondContact O-CB 3.24Å; D1181-S1185 PolarHBondContact O-N 3.22Å; S1182-S1185 WeakPolarHBondContact O-CB 3.16Å; S1182-S1185 PolarHBondContact O-N 3.3Å; S1185-I1188 PolarHBondContact O-N 3.36Å; S1185-K1189 WeakPolarHBondContact O-CB 3.33Å; S1185-K1189 WeakPolarHBondContact O-CD 3.46Å; S1185-K1189 VanDerWaalsContact O-CG 3.22Å; S1185-K1189 WeakPolarHBondContact O-CG 3.41Å; S1185-K1189 PolarHBondContact O-N 3.16Å; S1185-K1189 WeakPolarHBondContact OG-CE 3.31Å; S1185-K1189 PolarHBondContact OG-NZ 2.85Å
1186L85.3Confident73.3Confident12 Ų1241.5 Ų41.56%0.06320%0.203CC..Hα-helixtrans-68.2-39.4175.3-71.1171.8000113F860 L863 S864 V867 S1182 I1183 I1184 K1189 A1190F860-L1186 HydrophobicContact CD2-CD1 3.53Å; F860-L1186 HydrophobicContact CE2-CD1 3.55Å; F860-L1186 HydrophobicContact CG-CD1 4.49Å; L863-L1186 HydrophobicContact CB-CB 4.1Å; L863-L1186 HydrophobicContact CB-CD1 4.02Å; S864-L1186 WeakPolarHBondContact OG-CD1 3.32Å; V867-L1186 HydrophobicContact CB-CD2 4.05Å; V867-L1186 HydrophobicContact CG1-CD2 4.18Å; V867-L1186 HydrophobicContact CG2-CB 4.48Å; V867-L1186 HydrophobicContact CG2-CD2 3.94Å; V867-L1186 WeakPolarHBondContact CG2-O 3.44Å; S1182-L1186 WeakPolarHBondContact O-CG 3.49Å; S1182-L1186 PolarHBondContact O-N 2.88Å; I1183-L1186 PolarHBondContact O-N 3.17Å; I1184-L1186 VanDerWaalsContact C-N 3.31Å; I1184-L1186 PolarHBondContact O-N 2.93Å; L1186-K1189 PolarHBondContact O-N 3.44Å; L1186-A1190 VanDerWaalsContact O-CB 3.31Å; L1186-A1190 WeakPolarHBondContact O-CB 3.2Å; L1186-A1190 PolarHBondContact O-N 2.84Å
1187L86.2Confident74.7Confident0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-63.4-41.5173.8-72.3172.4000111.5L863 I882 I885 I1183 I1184 A1190 H1191 I1402 L1405 L1406 I1409L863-L1187 HydrophobicContact CD1-CD2 4.27Å; L863-L1187 HydrophobicContact CD1-CG 4.46Å; L863-L1187 HydrophobicContact CD2-CD2 4.26Å; I882-L1187 HydrophobicContact CD1-CD2 3.35Å; I885-L1187 HydrophobicContact CD1-CD2 4.35Å; I1183-L1187 HydrophobicContact CG2-CD1 4.12Å; I1183-L1187 HydrophobicContact CG2-CG 4.38Å; I1183-L1187 WeakPolarHBondContact O-CG 3.41Å; I1183-L1187 PolarHBondContact O-N 3.37Å; I1184-L1187 PolarHBondContact O-N 3.28Å; L1187-A1190 PolarHBondContact O-N 2.95Å; L1187-H1191 VanDerWaalsContact O-CB 3.3Å; L1187-H1191 WeakPolarHBondContact O-CB 3.47Å; L1187-H1191 PolarHBondContact O-N 3.12Å; L1187-I1402 HydrophobicContact CB-CG2 4.28Å; L1187-I1402 HydrophobicContact CD2-CG2 4.35Å; L1187-L1405 HydrophobicContact CD1-CD2 4.01Å; L1187-L1405 HydrophobicContact CD2-CD2 4.08Å; L1187-L1406 HydrophobicContact CB-CD2 4.16Å; L1187-I1409 HydrophobicContact CD1-CD1 3.83Å
1188I85.8Confident75.1Confident26 Ų2642 Ų4213%0.13321%0.208CC..Hα-helixtrans-62-41.8173.1-76.2172.7000111.2I1184 S1185 A1192 L1406 Y1423I1184-I1188 HydrophobicContact CG2-CD1 3.89Å; I1184-I1188 HydrophobicContact CG2-CG1 4.49Å; I1184-I1188 WeakPolarHBondContact O-CB 3.45Å; I1184-I1188 WeakPolarHBondContact O-CG1 3.32Å; I1184-I1188 PolarHBondContact O-N 3.45Å; S1185-I1188 PolarHBondContact O-N 3.36Å; I1188-A1192 WeakPolarHBondContact O-CB 3.21Å; I1188-A1192 PolarHBondContact O-N 3.02Å; I1188-L1406 HydrophobicContact CG1-CD1 4.02Å; I1188-L1406 HydrophobicContact CG1-CD2 4.07Å; I1188-Y1423 HydrophobicContact CB-CE1 4.37Å; I1188-Y1423 HydrophobicContact CD1-CD1 4.32Å; I1188-Y1423 HydrophobicContact CD1-CG 4.35Å; I1188-Y1423 HydrophobicContact CG1-CD1 3.89Å; I1188-Y1423 HydrophobicContact CG1-CE1 4.02Å; I1188-Y1423 HydrophobicContact CG1-CG 4.31Å; I1188-Y1423 HydrophobicContact CG2-CD1 4.34Å; I1188-Y1423 HydrophobicContact CG2-CD2 3.92Å; I1188-Y1423 HydrophobicContact CG2-CE1 4.13Å; I1188-Y1423 HydrophobicContact CG2-CE2 3.68Å; I1188-Y1423 HydrophobicContact CG2-CG 4.25Å; I1188-Y1423 PolarHBondContact O-OH 3.39Å
1189K84.3Confident75.1Confident63 Ų6339.4 Ų39.427%0.27420%0.195SC..Hα-helixtrans-69.3-38.7176.3-73160.8-178.5158.20112.4V867 S1185 L1186 A1192 R1193 E1336V867-K1189 HydrophobicContact CB-CB 4.38Å; V867-K1189 HydrophobicContact CG1-CB 3.66Å; V867-K1189 HydrophobicContact CG1-CD 4.13Å; V867-K1189 HydrophobicContact CG1-CG 4.37Å; V867-K1189 HydrophobicContact CG2-CB 3.73Å; S1185-K1189 WeakPolarHBondContact O-CB 3.33Å; S1185-K1189 WeakPolarHBondContact O-CD 3.46Å; S1185-K1189 VanDerWaalsContact O-CG 3.22Å; S1185-K1189 WeakPolarHBondContact O-CG 3.41Å; S1185-K1189 PolarHBondContact O-N 3.16Å; S1185-K1189 WeakPolarHBondContact OG-CE 3.31Å; S1185-K1189 PolarHBondContact OG-NZ 2.85Å; L1186-K1189 PolarHBondContact O-N 3.44Å; K1189-A1192 PolarHBondContact O-N 3.31Å; K1189-R1193 WeakPolarHBondContact O-CB 3.33Å; K1189-R1193 PolarHBondContact O-N 2.9Å; K1189-E1336 VanDerWaalsContact CE-CG 3.4Å; K1189-E1336 WeakPolarHBondContact CE-OE1 3.47Å; K1189-E1336 HydrophobicContact CG-CG 4.49Å; K1189-E1336 IonicContact NZ-OE1 2.69Å; K1189-E1336 PolarHBondContact NZ-OE1 2.97Å
1190A85.9Confident74.6Confident0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-67.8-41.6175.500000111.6F866 V867 L1186 L1187 R1193 L1194 I1402F866-A1190 HydrophobicContact CD1-CB 3.92Å; F866-A1190 HydrophobicContact CE1-CB 4Å; V867-A1190 HydrophobicContact CG2-CB 4.07Å; L1186-A1190 VanDerWaalsContact O-CB 3.31Å; L1186-A1190 WeakPolarHBondContact O-CB 3.2Å; L1186-A1190 PolarHBondContact O-N 2.84Å; L1187-A1190 PolarHBondContact O-N 2.95Å; A1190-R1193 PolarHBondContact O-N 3.42Å; A1190-L1194 WeakPolarHBondContact O-CB 3.49Å; A1190-L1194 WeakPolarHBondContact O-CG 3.47Å; A1190-L1194 PolarHBondContact O-N 3.12Å; A1190-I1402 HydrophobicContact CB-CD1 4.04Å
1191H88.2Confident73.2Confident3 Ų342.6 Ų42.61%0.01423%0.234CC..Hα-helixtrans-58.8-50171.7-176.9-102.5000111.2L1187 R1193 L1194 Y1195 A1399 I1402 L1406 Y1423L1187-H1191 VanDerWaalsContact O-CB 3.3Å; L1187-H1191 WeakPolarHBondContact O-CB 3.47Å; L1187-H1191 PolarHBondContact O-N 3.12Å; H1191-R1193 VanDerWaalsContact C-N 3.34Å; H1191-R1193 PolarHBondContact O-N 2.99Å; H1191-L1194 PolarHBondContact O-N 2.76Å; H1191-Y1195 VanDerWaalsContact O-CB 3.31Å; H1191-Y1195 WeakPolarHBondContact O-CB 3.29Å; H1191-Y1195 PolarHBondContact O-N 2.82Å; H1191-A1399 PolarHBondContact CD2-O 3.45Å; H1191-A1399 PolarHBondContact NE2-O 2.92Å; H1191-I1402 HydrophobicContact CB-CB 4.34Å; H1191-I1402 HydrophobicContact CB-CG2 3.85Å; H1191-L1406 HydrophobicContact CB-CD1 4.43Å; H1191-Y1423 AromaticContact ND1-CE1 3.61Å; H1191-Y1423 AromaticContact ND1-CZ 3.63Å; H1191-Y1423 PolarHBondContact ND1-OH 3.49Å
1192A81.6Confident71.7Confident28 Ų2841.5 Ų41.523%0.23124%0.237CC..Hα-helixtrans-57.6-44.7175.500000112I1188 K1189 Y1195 W1196 Y1423I1188-A1192 WeakPolarHBondContact O-CB 3.21Å; I1188-A1192 PolarHBondContact O-N 3.02Å; K1189-A1192 PolarHBondContact O-N 3.31Å; A1192-Y1195 PolarHBondContact O-N 3.38Å; A1192-W1196 WeakPolarHBondContact O-CB 3.42Å; A1192-W1196 PolarHBondContact O-N 3.15Å; A1192-Y1423 PolarHBondContact N-OH 3.49Å
1193R82.4Confident69.9Low67 Ų6743.6 Ų43.625%0.25326%0.258SS..Hα-helixtrans-60.8-47.5177.9-173.6177.9179105.910.4112.6F866 V867 K1189 A1190 H1191 Y1195 W1196 S1197 I1206F866-R1193 HydrophobicContact CE1-CB 4.49Å; F866-R1193 HydrophobicContact CE1-CG 4.43Å; F866-R1193 WeakPolarHBondContact O-CD 3.35Å; F866-R1193 PolarHBondContact O-NE 2.97Å; V867-R1193 PolarHBondContact O-NH1 3.12Å; K1189-R1193 WeakPolarHBondContact O-CB 3.33Å; K1189-R1193 PolarHBondContact O-N 2.9Å; A1190-R1193 PolarHBondContact O-N 3.42Å; H1191-R1193 VanDerWaalsContact C-N 3.34Å; H1191-R1193 PolarHBondContact O-N 2.99Å; R1193-Y1195 VanDerWaalsContact C-N 3.3Å; R1193-Y1195 PolarHBondContact O-N 3.49Å; R1193-W1196 PolarHBondContact O-N 2.85Å; R1193-S1197 PolarHBondContact O-N 2.98Å; R1193-S1197 VanDerWaalsContact O-N 3.13Å; R1193-S1197 PolarHBondContact O-OG 2.75Å; R1193-I1206 HydrophobicContact CG-CD1 4.3Å
1194L81.8Confident67.7Low3 Ų351.1 Ų51.12%0.01630%0.298CS..Hα-helixtrans-67.8-27177.3-72.6174.6000113.3W830 F866 E875 L878 A1190 H1191 S1197 R1198 A1399 I1402W830-L1194 HydrophobicContact CH2-CD1 4.06Å; W830-L1194 HydrophobicContact CZ2-CD1 3.8Å; F866-L1194 HydrophobicContact CE1-CG 4.28Å; F866-L1194 HydrophobicContact CZ-CD2 3.81Å; F866-L1194 HydrophobicContact CZ-CG 4.06Å; E875-L1194 HydrophobicContact CG-CD2 3.98Å; E875-L1194 WeakPolarHBondContact OE1-CD2 3.35Å; L878-L1194 HydrophobicContact CD2-CD1 3.97Å; A1190-L1194 WeakPolarHBondContact O-CB 3.49Å; A1190-L1194 WeakPolarHBondContact O-CG 3.47Å; A1190-L1194 PolarHBondContact O-N 3.12Å; H1191-L1194 PolarHBondContact O-N 2.76Å; L1194-S1197 PolarHBondContact O-OG 3.27Å; L1194-R1198 WeakPolarHBondContact O-CD 3.31Å; L1194-R1198 WeakPolarHBondContact O-CG 3.37Å; L1194-R1198 PolarHBondContact O-NE 3.44Å; L1194-A1399 HydrophobicContact CB-CB 4.31Å; L1194-I1402 HydrophobicContact CD1-CD1 3.77Å
1195Y74.1Confident65.2Low74 Ų7453.4 Ų53.429%0.2932%0.318SS..Hα-helixtrans-77.6-43.4174.9-166.6-109000111.1H1191 A1192 R1193 R1198 I1199H1191-Y1195 VanDerWaalsContact O-CB 3.31Å; H1191-Y1195 WeakPolarHBondContact O-CB 3.29Å; H1191-Y1195 PolarHBondContact O-N 2.82Å; A1192-Y1195 PolarHBondContact O-N 3.38Å; R1193-Y1195 VanDerWaalsContact C-N 3.3Å; R1193-Y1195 PolarHBondContact O-N 3.49Å; Y1195-R1198 PolarHBondContact O-N 2.78Å; Y1195-I1199 HydrophobicContact CD1-CD1 3.75Å; Y1195-I1199 HydrophobicContact CE1-CD1 3.57Å
1196W65.2Low63Low108 Ų10856.3 Ų56.341%0.40933%0.33SS..Hα-helixtrans-70.4-37.4-177.2-132.5-117.1000113.7A1192 R1193 R1198 I1199 V1200 F1340A1192-W1196 WeakPolarHBondContact O-CB 3.42Å; A1192-W1196 PolarHBondContact O-N 3.15Å; R1193-W1196 PolarHBondContact O-N 2.85Å; W1196-R1198 PolarHBondContact O-N 3.46Å; W1196-R1198 VanDerWaalsContact O-N 3.09Å; W1196-I1199 HydrophobicContact CE3-CD1 3.83Å; W1196-I1199 HydrophobicContact CZ3-CD1 3.84Å; W1196-I1199 PolarHBondContact O-N 3.15Å; W1196-V1200 HydrophobicContact CG-CG2 4.49Å; W1196-V1200 WeakPolarHBondContact O-CG2 3.5Å; W1196-V1200 PolarHBondContact O-N 3.18Å; W1196-V1200 VanDerWaalsContact O-N 3.09Å; W1196-F1340 HydrophobicContact CZ3-CE1 4.18Å
1197S67.3Low60.3Low56 Ų5660 Ų6039%0.39236%0.355SS..Hα-helixtrans-57-27.1177.561.90000113.2R1193 L1194R1193-S1197 PolarHBondContact O-N 2.98Å; R1193-S1197 VanDerWaalsContact O-N 3.13Å; R1193-S1197 PolarHBondContact O-OG 2.75Å; L1194-S1197 PolarHBondContact O-OG 3.27Å
1198R60.5Low57.5Low72 Ų7269.3 Ų69.327%0.27240%0.395SS..Hα-helixtrans-82.6-32.5177.7-56.4168.5-168-168.8-3113.4L1194 Y1195 W1196 D1397L1194-R1198 WeakPolarHBondContact O-CD 3.31Å; L1194-R1198 WeakPolarHBondContact O-CG 3.37Å; L1194-R1198 PolarHBondContact O-NE 3.44Å; Y1195-R1198 PolarHBondContact O-N 2.78Å; W1196-R1198 PolarHBondContact O-N 3.46Å; W1196-R1198 VanDerWaalsContact O-N 3.09Å; R1198-D1397 VanDerWaalsContact CZ-CG 3.47Å; R1198-D1397 IonicContact CZ-OD1 2.99Å; R1198-D1397 IonicContact CZ-OD2 2.65Å; R1198-D1397 IonicContact NH1-OD1 3.34Å; R1198-D1397 PolarHBondContact NH1-OD1 3.29Å; R1198-D1397 IonicContact NH1-OD2 3.7Å; R1198-D1397 PolarHBondContact NH1-OD2 3.29Å; R1198-D1397 IonicContact NH2-OD1 3.51Å; R1198-D1397 PolarHBondContact NH2-OD1 3.28Å; R1198-D1397 IonicContact NH2-OD2 3.59Å
1199I54.9Low54.7Low86 Ų8674.1 Ų74.144%0.44142%0.42SS..Hα-helixtrans-75-37.6-179.8-68.7171.4000110.5Y1195 W1196Y1195-I1199 HydrophobicContact CD1-CD1 3.75Å; Y1195-I1199 HydrophobicContact CE1-CD1 3.57Å; W1196-I1199 HydrophobicContact CE3-CD1 3.83Å; W1196-I1199 HydrophobicContact CZ3-CD1 3.84Å; W1196-I1199 PolarHBondContact O-N 3.15Å
1200V46.2Very low51.8Low71 Ų7176.6 Ų76.643%0.4345%0.445SS..Hα-helixtrans-87.4-18.1-172.5-175.70000113.3W1196 G1202 A1205W1196-V1200 HydrophobicContact CG-CG2 4.49Å; W1196-V1200 WeakPolarHBondContact O-CG2 3.5Å; W1196-V1200 PolarHBondContact O-N 3.18Å; W1196-V1200 VanDerWaalsContact O-N 3.09Å; V1200-G1202 VanDerWaalsContact C-N 3.33Å; V1200-G1202 PolarHBondContact O-N 3.34Å; V1200-A1205 HydrophobicContact CG1-CB 3.59Å
1201G31.9Very low49Very low75 Ų7586.2 Ų86.277%0.77349%0.487SS*.SBendtrans70.922.6171.600000115.3
1202G35.3Very low46Very low39 Ų3990 Ų9040%0.40253%0.527SS..SBendtrans-167.3147.3177.600000111.4V1200V1200-G1202 VanDerWaalsContact C-N 3.33Å; V1200-G1202 PolarHBondContact O-N 3.34Å
1203A33.9Very low43.5Very low88 Ų8891.6 Ų91.673%0.72755%0.546SS*.THydrogen-bonded Turntrans-77.7-22.7-173.500000113.9A1205A1203-A1205 PolarHBondContact O-N 3.28Å
1204D30.8Very low40.8Very low162 Ų16293.9 Ų93.987%0.86657%0.572SS**THydrogen-bonded Turntrans-89.26-166.1-54.7-64000114.8I1206D1204-I1206 PolarHBondContact O-N 3.18Å
1205A27.9Very low38.2Very low57 Ų57100 Ų10047%0.47160%0.604SS.*  trans-103.357.3-169.900000114.1V1200 A1203V1200-A1205 HydrophobicContact CG1-CB 3.59Å; A1203-A1205 PolarHBondContact O-N 3.28Å
1206I34.4Very low35.8Very low92 Ų92105.2 Ų105.247%0.47263%0.629SS.*  trans-126.2119.4168.4-59.8179.1000109.2R1193 D1204 K1208R1193-I1206 HydrophobicContact CG-CD1 4.3Å; D1204-I1206 PolarHBondContact O-N 3.18Å; I1206-K1208 PolarHBondContact O-N 3.06Å
1207P28.1Very low34Very low89 Ų89106.4 Ų106.458%0.57865%0.648SS**  trans-68.9125.8-175.8-20.232.5000113.3I1209P1207-I1209 PolarHBondContact O-N 2.72Å
1208K26.5Very low32Very low196 Ų196110.6 Ų110.685%0.85267%0.666SS**  trans-69.9113.7164-74.2-174.3175.2-1750109.4I1206 S1210I1206-K1208 PolarHBondContact O-N 3.06Å; K1208-S1210 PolarHBondContact O-N 3.27Å
1209I26.8Very low30.5Very low128 Ų128112 Ų11266%0.65668%0.684SS**  trans-83.2101176.8-58.9175.9000109P1207 F1211P1207-I1209 PolarHBondContact O-N 2.72Å; I1209-F1211 HydrophobicContact CG2-CD2 4.29Å; I1209-F1211 HydrophobicContact CG2-CE2 4.07Å
1210S24.6Very low29.2Very low115 Ų115114.1 Ų114.180%0.80470%0.697SS**  trans-87116.5169.458.50000110.8K1208K1208-S1210 PolarHBondContact O-N 3.27Å
1211F26.4Very low28.2Very low202 Ų202118.1 Ų118.189%0.88672%0.715SS**  trans-75.7147.9164.3-80.1-95.4000110.3I1209I1209-F1211 HydrophobicContact CG2-CD2 4.29Å; I1209-F1211 HydrophobicContact CG2-CE2 4.07Å
1212G26.2Very low28.1Very low81 Ų81121.3 Ų121.384%0.83572%0.72SS**  trans-173.3157.5177.100000114.9
1213G27.8Very low27.7Very low62 Ų62123.9 Ų123.964%0.63974%0.737SS**  trans168.5146.3176.200000109.9
1214S27.2Very low27.5Very low115 Ų115128 Ų12880%0.80474%0.741SS**  cis-153.1174-3.660.80000112.1
1215L25.5Very low27.5Very low131 Ų131126.8 Ų126.869%0.68673%0.73SS**  trans-59.8169.4176.5-5577.7000112.3
1216F24.4Very low27.4Very low184 Ų184126.4 Ų126.481%0.80773%0.725SS**  cis-138.8-179.617.1-76.8-94.7000109.7
1217T27.7Very low27.1Very low133 Ų133124.5 Ų124.582%0.81673%0.728SS**  cis-144.7159.119.648.90000112.4
1218D25.7Very low27.2Very low145 Ų145124.9 Ų124.978%0.77572%0.724SS**  trans-123.9154.5172.4-171.415.3000109.5
1219P28.7Very low27.3Very low100 Ų100120.4 Ų120.465%0.64971%0.713SS**  -150.8152124.737.1-20000118.8
1220N26.6Very low27.3Very low132 Ų132121.8 Ų121.871%0.70672%0.722SS**  trans90.4116.8161.8-51.4-47.5000116.8
1221L25.9Very low27.3Very low154 Ų154121 Ų12181%0.80672%0.716SS**  cis70141.348.4-66.1151.9000113.7
1222T28.9Very low27.1Very low142 Ų142116.2 Ų116.287%0.87171%0.708SS**  cis-116.2-157.918.1500000113.9
1223A28.1Very low27Very low93 Ų93120.1 Ų120.177%0.76971%0.706SS**  trans-158.3159.3-165.200000115.4
1224Q29.5Very low26.8Very low174 Ų174122.5 Ų122.581%0.81371%0.713SS**  trans-153.3167.9167.6-79.7-157.6-70.800110.6
1225Q30.5Very low26.6Very low137 Ų137122.3 Ų122.364%0.6471%0.707SS**  cis-174.2159-47-107.1-177.7-62.100107.3N1284Q1225-N1284 PolarHBondContact NE2-O 3.29Å
1226S26.8Very low26.5Very low50 Ų50121.8 Ų121.835%0.3571%0.709SS.*  cis-178.6127.6-38.859.60000110.2N1284 N1285 C1286S1226-N1284 PolarHBondContact OG-O 2.89Å; S1226-N1285 CarbonylContact C-O 3.6Å; S1226-N1285 WeakPolarHBondContact CB-O 3.25Å; S1226-N1285 PolarHBondContact OG-N 3.05Å; S1226-C1286 WeakPolarHBondContact CA-O 2.89Å; S1226-C1286 VanDerWaalsContact CB-O 3.23Å; S1226-C1286 WeakPolarHBondContact CB-O 3.43Å
1227G27.7Very low26.5Very low52 Ų52119.1 Ų119.154%0.53671%0.708SS.*  trans116.5159.7165.900000116.4N1285G1227-N1285 WeakPolarHBondContact CA-O 3.32Å; G1227-N1285 PolarHBondContact N-O 3.14Å
1228I30.6Very low26.3Very low96 Ų96118.4 Ų118.449%0.49270%0.704SS.*  cis-161.2142.13.9-114166.6000109.6N1285I1228-N1285 HydrophobicContact CD1-CB 4.38Å; I1228-N1285 HydrophobicContact CG1-CB 4.49Å
1229T27.6Very low26.2Very low103 Ų103119.6 Ų119.663%0.63271%0.707SS**  trans40148.3157.463.20000122.2
1230D27Very low26.1Very low157 Ų157120.5 Ų120.584%0.8471%0.712SS**  cis-159.3174.80.1-113.9-14.3000112.2
1231S23.4Very low26Very low97 Ų97118.6 Ų118.668%0.67872%0.715SS**  trans-127.3129.5-166.961.30000116.5
1232S22.6Very low26.1Very low103 Ų103117.3 Ų117.372%0.7271%0.714SS**  trans53.8146.1131.973.10000124.1
1233M25.3Very low25.9Very low163 Ų163117.5 Ų117.580%0.80371%0.709SS**  trans99.3149.2141.5-66.1-124.96800121.9
1234S23.7Very low26.1Very low111 Ų111119.4 Ų119.478%0.77671%0.711SS**  trans87.2152.7159.578.20000119.7
1235V23Very low25.9Very low112 Ų112118.8 Ų118.868%0.67971%0.713SS**  -168.4134.9-53.11240000110.5
1236T23.2Very low26Very low120 Ų120115.2 Ų115.274%0.73671%0.713SS**  trans60146.1161.4540000123.5
1237T23.9Very low26.4Very low127 Ų127120 Ų12078%0.77974%0.735SS**  trans86128.9148.66.60000121.8
1238T22.9Very low26.4Very low118 Ų118124.2 Ų124.272%0.72475%0.745SS**  trans-49.8158.4144.640.60000112.1
1239M23.9Very low26.8Very low171 Ų171124.9 Ų124.984%0.84276%0.755SS**  cis-146.4-178.819.6-118.2-127.4171.400110.6
1240P26.1Very low26.7Very low118 Ų118126.7 Ų126.777%0.76676%0.76SS**  trans-79.2171-158.133.6-37.4000115.8
1241A26.3Very low26.8Very low93 Ų93126.2 Ų126.277%0.76976%0.756SS**  trans-122.3163.5-17600000113.1
1242V26.5Very low27.1Very low127 Ų127129.5 Ų129.577%0.7777%0.765SS**  156.1121.4127.9161.90000111.2
1243N25.6Very low27.3Very low146 Ų146127.7 Ų127.778%0.78176%0.762SS**  trans151.4144.2153.7-90.3-57.2000108.4
1244V32.7Very low27.4Very low133 Ų133128.4 Ų128.481%0.80676%0.764SS**  cis-133.4143.919.9173.80000111.3
1245D24.7Very low27.7Very low160 Ų160128.3 Ų128.386%0.85676%0.755SS**  trans-97.4168.7171-83.1-52.8000113.8
1246G32Very low28Very low62 Ų62130.3 Ų130.364%0.63976%0.757SS**  trans-176143.5161.300000113.5
1247N35.2Very low28Very low152 Ų152130.4 Ų130.481%0.81376%0.757SS**  cis-152.6131.92.1-87.1-53.1000113.2
1248N27.5Very low28.1Very low140 Ų140132 Ų13275%0.74976%0.76SS**  17148.3124-81.4-35.6000120.6
1249P39.6Very low28.4Very low109 Ų109129.7 Ų129.771%0.70876%0.761SS**  -155143.561.238.7-16.7000122.8
1250I26.3Very low28.6Very low141 Ų141126.8 Ų126.872%0.72376%0.757SS**  51.7130.1121.4-38.3158000119.5
1251I29.3Very low28.5Very low147 Ų147132.3 Ų132.375%0.75476%0.763SS**  -173.2131.896.3-89.5175.2000113.2
1252L28.7Very low28.4Very low166 Ų166133.3 Ų133.387%0.86975%0.752SS**  trans31.2146.5148.2-50.5174.2000122.8
1253G27.6Very low28.3Very low65 Ų65131.7 Ų131.767%0.6774%0.738SS**  cis161.5158.7-600000114.5
1254Q27.1Very low28.1Very low178 Ų178130.4 Ų130.483%0.83273%0.726SS**  trans66.6138.8173.8-58.3-169.9-89.400117.3
1255D29.5Very low27.8Very low109 Ų109130.8 Ų130.858%0.58372%0.723SS**  cis-166.4168-6.3-102.8-14.1000107.6
1256Q29Very low27.9Very low155 Ų155130.6 Ų130.672%0.72472%0.722SS**  cis-157.3167.95.7-126.3162.567.300110.7
1257V24.6Very low27.5Very low121 Ų121133.6 Ų133.673%0.73373%0.728SS**  trans12.6121.9154.2-177.70000118.7
1258D25.9Very low27.1Very low160 Ų160135.3 Ų135.386%0.85673%0.728SS**  -165165.480.6-140.6-22.3000115.4
1259G28.4Very low27.1Very low71 Ų71134.5 Ų134.573%0.73273%0.73SS**  trans63.6101156.100000122
1260S27.4Very low26.4Very low110 Ų110137.3 Ų137.377%0.76973%0.732SS**  trans-87158.1171.757.30000114.8
1261W24.8Very low26.4Very low233 Ų233137.4 Ų137.488%0.88373%0.729SS**  cis-167.1140-23.4-115.799.7000106.2
1262Q24Very low26.4Very low115 Ų115136 Ų13654%0.53772%0.723SS.*  trans-151.3158.2176.1-129.8-161.6-62.400113.4S1504Q1262-S1504 WeakPolarHBondContact CG-OG 3.43Å
1263D24.9Very low26.4Very low92 Ų92134 Ų13449%0.49272%0.718SS.*  trans51.8104157-64.26000122.3
1264F21.9Very low26.4Very low119 Ų119136.2 Ų136.252%0.52272%0.718SS.*  63.7103.4113.5-137.8-126.7000122.4M1506F1264-M1506 HydrophobicContact CB-CE 3.88Å; F1264-M1506 HydrophobicContact CB-SD 3.86Å; F1264-M1506 HydrophobicContact CD1-CE 3.93Å; F1264-M1506 HydrophobicContact CD2-CB 4.48Å; F1264-M1506 HydrophobicContact CD2-CE 3.69Å; F1264-M1506 HydrophobicContact CD2-CG 4.4Å; F1264-M1506 HydrophobicContact CD2-SD 3.23Å; F1264-M1506 WeakPolarHBondContact CD2-SD 3.5Å; F1264-M1506 HydrophobicContact CE1-CE 4.32Å; F1264-M1506 HydrophobicContact CE2-CB 4.34Å; F1264-M1506 HydrophobicContact CE2-CE 4.1Å; F1264-M1506 HydrophobicContact CE2-CG 4.46Å; F1264-M1506 HydrophobicContact CE2-SD 3.8Å; F1264-M1506 HydrophobicContact CG-CE 3.59Å; F1264-M1506 HydrophobicContact CG-SD 3.67Å; F1264-M1506 HydrophobicContact CZ-CE 4.4Å
1265L26.3Very low26.5Very low142 Ų142133.8 Ų133.874%0.74372%0.715SS**  trans54129.9138.4-61.4-177.4000122
1266D25.4Very low26.3Very low156 Ų156133.1 Ų133.183%0.83472%0.719SS**  trans-148.7166.9140.7-136.4-21000114.3
1267V23.9Very low26.2Very low124 Ų124133.1 Ų133.175%0.75272%0.724SS**  trans-51.5152.6-161.2166.90000121.5
1268F27Very low26.3Very low188 Ų188131 Ų13183%0.82572%0.719SS**  trans-45.9158.1167.8-79.3-93.5000117.4
1269P27.6Very low26.4Very low123 Ų123129.1 Ų129.180%0.79971%0.713SS**  -138.1174.2116.137.5-26000116.2
1270K24.8Very low26.4Very low169 Ų169131.2 Ų131.274%0.73571%0.712SS**  trans-105.1167.1-179.6-49.9162.8-176.8171.30111
1271H27.3Very low26.5Very low143 Ų143131.5 Ų131.566%0.66271%0.71SS**  158.7140109.5-92-63.6000118.6
1272N27.5Very low26.7Very low118 Ų118125.8 Ų125.863%0.63170%0.701SS**  trans64.6173.9135-60.1-5.8000119.9V1274N1272-V1274 HydrophobicContact CB-CG2 4.45Å
1273T29.8Very low26.8Very low123 Ų123126.8 Ų126.876%0.75571%0.71SS**  cis-124.8151.51.838.30000112.1
1274V26.6Very low27Very low111 Ų111126.3 Ų126.367%0.67371%0.707SS**  cis86.9155.822.4-174.70000114.8N1272N1272-V1274 HydrophobicContact CB-CG2 4.45Å
1275V29.8Very low27.3Very low127 Ų127124.1 Ų124.177%0.7770%0.701SS**  trans83.2134.3179.2-174.90000113.5
1276S26.6Very low27.3Very low96 Ų96119.9 Ų119.967%0.67168%0.682SS**  cis-166.7-176.7-28.464.40000106.5
1277N26.8Very low27.3Very low155 Ų155119.4 Ų119.483%0.82968%0.679SS**  cis-163.81700.1-129.6-4.2000105.4
1278A26.8Very low27.6Very low77 Ų77119.1 Ų119.164%0.63668%0.678SS**  cis-153.8-156.9-5.500000105.5
1279T28Very low27.6Very low119 Ų119116.4 Ų116.473%0.7368%0.679SS**  cis-145.5173.85.9550000110.2
1280T28.3Very low27.4Very low115 Ų115121.9 Ų121.971%0.70668%0.684SS**  trans40.6123.2149.2520000120.8
1281T28.3Very low27.4Very low117 Ų117119.9 Ų119.972%0.71869%0.69SS**  cis-166.3129.6-6.9-3.90000111.1
1282T28.4Very low27.1Very low113 Ų113121.9 Ų121.969%0.69370%0.702SS**  trans40.8118.2145.755.80000123.2
1283N27.4Very low26.9Very low136 Ų136120.4 Ų120.473%0.72771%0.706SS**  49.6143.7124.1-55.47.9000121
1284N28.7Very low26.6Very low81 Ų81121.3 Ų121.343%0.43371%0.71SS.*  cis-172.5179.1-2.9-102.5-5.6000108.8Q1225 S1226Q1225-N1284 PolarHBondContact NE2-O 3.29Å; S1226-N1284 PolarHBondContact OG-O 2.89Å
1285N28.1Very low26.5Very low74 Ų74123.5 Ų123.540%0.39672%0.718SS.*  cis-177.3130.4-46.5-179.914.9000110S1226 G1227 I1228S1226-N1285 CarbonylContact C-O 3.6Å; S1226-N1285 WeakPolarHBondContact CB-O 3.25Å; S1226-N1285 PolarHBondContact OG-N 3.05Å; G1227-N1285 WeakPolarHBondContact CA-O 3.32Å; G1227-N1285 PolarHBondContact N-O 3.14Å; I1228-N1285 HydrophobicContact CD1-CB 4.38Å; I1228-N1285 HydrophobicContact CG1-CB 4.49Å
1286C26.8Very low26.2Very low53 Ų53125.3 Ų125.336%0.35872%0.72SS.*  trans76.3117.7178.6-59.80000117.3S1226S1226-C1286 WeakPolarHBondContact CA-O 2.89Å; S1226-C1286 VanDerWaalsContact CB-O 3.23Å; S1226-C1286 WeakPolarHBondContact CB-O 3.43Å
1287L25Very low26.5Very low146 Ų146125.3 Ų125.376%0.76472%0.718SS**  71.3119.664.9-61.1163.9000111.2
1288T30.3Very low26.5Very low117 Ų117125.9 Ų125.972%0.71872%0.721SS**  53.9143.964.375.30000114
1289P27.8Very low26.5Very low132 Ų132128.7 Ų128.786%0.85772%0.72SS**  -147132.899.136.1-19.4000116
1290R22.1Very low26.3Very low238 Ų238131 Ų13190%0.89872%0.716SS**  trans-131.9131.7140.2-176.9-176.8-170.6171.14.2105.9
1291C25.1Very low26.3Very low127 Ų127131.8 Ų131.886%0.85871%0.711SS**  trans-165.8143.6159.4-104.60000111.7
1292M20.8Very low26.1Very low185 Ų185133.7 Ų133.791%0.91171%0.712SS**  trans-127.4150.7149-105.6-72.5-89.400106.7
1293A24.3Very low26.1Very low87 Ų87133.6 Ų133.672%0.71972%0.715SS**  trans-67.5159.4-160.900000115.7
1294V23.2Very low26Very low141 Ų141131.1 Ų131.186%0.85571%0.708SS**  -140.3146124.5179.20000108.4
1295L24.2Very low25.9Very low158 Ų158133.7 Ų133.783%0.82772%0.722SS**  trans-138.8176.5164.2-106.6179.6000109.3
1296M24.1Very low25.9Very low165 Ų165137 Ų13781%0.81374%0.738SS**  trans91.3146.9176.6-53.1-68.7-86.100115.7
1297P32.8Very low25.9Very low96 Ų96140 Ų14062%0.62375%0.751SS**  cis-138.8178.1-42.538.8-24.1000112.8
1298N26.3Very low26.1Very low167 Ų167139.5 Ų139.589%0.89375%0.749SS**  trans-153.6149.6140.2-119.8-16.9000112.8
1299E26Very low26Very low135 Ų135139.1 Ų139.163%0.63175%0.751SS**  trans-111.5166.9-177.8-73.8-159.313300108.9
1300R24.5Very low26.1Very low168 Ų168138.3 Ų138.363%0.63475%0.749SS**  cis-174.5-169-5.9-112.2-172.4-143.7160.313.8107
1301H28Very low26Very low132 Ų132132 Ų13261%0.61174%0.741SS**  trans78.8145.1146.8-69.5-68.3000118.7
1302E24.8Very low26.4Very low157 Ų157131.1 Ų131.173%0.73473%0.734SS**  cis-170.6-168.1-28.9-142.2166.7-150.700111.6
1303C27.1Very low26.6Very low111 Ų111128.5 Ų128.575%0.7573%0.729SS**  trans94.6141.6159.7-63.10000119
1304S26Very low26.7Very low83 Ų83128.7 Ų128.758%0.5873%0.73SS**  cis170.2174.9-4248.50000110.4
1305N27.1Very low26.6Very low135 Ų135127.5 Ų127.572%0.72273%0.728SS**  trans86.8146.5162.7-54.3-34.3000117.9
1306L28Very low26.6Very low143 Ų143125.8 Ų125.875%0.74973%0.729SS**  cis-164.5-178.4-12.2-106.8174.5000106.7
1307N27.4Very low26.7Very low118 Ų118122.9 Ų122.963%0.63173%0.725SS**  cis-158.6-177.79.8-153.1-11.6000110.9
1308N29.3Very low26.1Very low135 Ų135128.3 Ų128.372%0.72274%0.739SS**  trans71146.5158.9-57.5-13.7000117.6
1309S27.9Very low26Very low108 Ų108124.2 Ų124.276%0.75573%0.729SS**  cis-180150.4-11.950.30000108.7
1310S28.4Very low25.9Very low116 Ų116122.6 Ų122.681%0.81173%0.732SS**  cis-157.9-123.3-6.5580000112.8
1311S21.6Very low25.9Very low106 Ų106121.2 Ų121.274%0.74174%0.737SS**  trans-147.4-174.6-169.6-44.40000111.1
1312P33.1Very low25.8Very low108 Ų108122.2 Ų122.270%0.70175%0.747SS**  cis-146.2-176.56.943.1-21.6000119.4
1313T23.8Very low25.9Very low130 Ų130121.5 Ų121.580%0.79875%0.753SS**  trans61.6110153.3460000122.8
1314A26.4Very low25.9Very low90 Ų90123.6 Ų123.674%0.74476%0.757SS**  160140.6100.400000113.6
1315S22.8Very low26Very low116 Ų116127.8 Ų127.881%0.81177%0.772SS**  trans21.4138.9158.652.80000121.8
1316S23.9Very low26.1Very low123 Ų123126.9 Ų126.986%0.8677%0.767SS**  cis-159.71786.646.50000112.2
1317S24.8Very low26.1Very low103 Ų103125.8 Ų125.872%0.7277%0.767SS**  trans-82.9149.7-160.754.70000118.4
1318F22.1Very low26.4Very low210 Ų210123.5 Ų123.592%0.92176%0.76SS**  -156.4164.3126.4-121.8-80.6000112.3
1319A23.4Very low26.7Very low82 Ų82122.5 Ų122.568%0.67875%0.753SS**  trans80.195.6161.500000122.3
1320S23.5Very low27.2Very low100 Ų100122.2 Ų122.270%0.69974%0.742SS**  86.9141.8127.178.10000123.3
1321N24.2Very low27.7Very low140 Ų140119.9 Ų119.975%0.74973%0.73SS**  trans61.3124.7153-57-10.9000118.3
1322N27.4Very low28.4Very low152 Ų152119.3 Ų119.381%0.81373%0.726SS**  cis-151.6155.530.9-74.2-65000112.8
1323V25.8Very low28.4Very low143 Ų143116.5 Ų116.587%0.86771%0.705SS**  trans-139.5142.2157.6-179.90000109.9
1324N26.7Very low28.9Very low154 Ų154113.4 Ų113.482%0.82469%0.687SS**  trans-66.5155.8-175.7-57.8-57.4000114.2
1325L28Very low29.5Very low172 Ų172113.6 Ų113.690%0.90168%0.68SS**  trans-133.6156.2158.4-100.5172.8000112.5
1326N29.9Very low30.4Very low116 Ų116111 Ų11162%0.6266%0.655SS**  trans-92.4143.8-149.9-139.2-28.9000114.1S1328N1326-S1328 VanDerWaalsContact C-N 3.26Å; N1326-S1328 PolarHBondContact O-N 3.39Å
1327T28.6Very low31.1Very low120 Ų120106.4 Ų106.474%0.73662%0.621SS**THydrogen-bonded Turntrans-75.8-917842.50000114.3I1329T1327-I1329 VanDerWaalsContact C-N 3.3Å; T1327-I1329 PolarHBondContact O-N 2.72Å
1328S32.6Very low32.1Very low70 Ų70107.2 Ų107.249%0.4961%0.609SS.*Hα-helixtrans-65.5-22.9-175.451.90000115.3N1326 I1330 A1331N1326-S1328 VanDerWaalsContact C-N 3.26Å; N1326-S1328 PolarHBondContact O-N 3.39Å; S1328-I1330 PolarHBondContact O-N 2.97Å; S1328-A1331 PolarHBondContact O-N 2.85Å
1329I36Very low32.9Very low114 Ų114103.8 Ų103.859%0.58559%0.59SS**Hα-helixtrans-74.6-26.5-175.2-62175000112.5T1327 A1331 S1332T1327-I1329 VanDerWaalsContact C-N 3.3Å; T1327-I1329 PolarHBondContact O-N 2.72Å; I1329-A1331 VanDerWaalsContact C-N 3.3Å; I1329-A1331 PolarHBondContact O-N 3.35Å; I1329-S1332 PolarHBondContact O-N 3.23Å; I1329-S1332 PolarHBondContact O-OG 2.83Å
1330I38.8Very low33.7Very low102 Ų102103.5 Ų103.552%0.52357%0.574SS.*Hα-helixtrans-71.2-29.3177.4-60.1176.6000110.9S1328 S1332 L1333S1328-I1330 PolarHBondContact O-N 2.97Å; I1330-S1332 VanDerWaalsContact C-N 3.32Å; I1330-S1332 PolarHBondContact O-N 2.91Å; I1330-L1333 PolarHBondContact O-N 3.27Å
1331A39.2Very low34.2Very low67 Ų67102.1 Ų102.155%0.55457%0.568SS**Hα-helixtrans-66.6-31.3177.200000112.8S1328 I1329 L1333 R1338S1328-A1331 PolarHBondContact O-N 2.85Å; I1329-A1331 VanDerWaalsContact C-N 3.3Å; I1329-A1331 PolarHBondContact O-N 3.35Å; A1331-L1333 VanDerWaalsContact C-N 3.33Å; A1331-L1333 PolarHBondContact O-N 2.96Å; A1331-R1338 PolarHBondContact O-NH2 2.97Å
1332S35Very low34.5Very low94 Ų9499.4 Ų99.466%0.65756%0.56SS**THydrogen-bonded Turntrans-78.8-6.3178.9390000115.4I1329 I1330I1329-S1332 PolarHBondContact O-N 3.23Å; I1329-S1332 PolarHBondContact O-OG 2.83Å; I1330-S1332 VanDerWaalsContact C-N 3.32Å; I1330-S1332 PolarHBondContact O-N 2.91Å
1333L33.1Very low34.5Very low49 Ų4998 Ų9826%0.25756%0.562SS.*SBendtrans-78.1135.3174.9-74.1171.2000111.4I1330 A1331 L1337 R1338I1330-L1333 PolarHBondContact O-N 3.27Å; A1331-L1333 VanDerWaalsContact C-N 3.33Å; A1331-L1333 PolarHBondContact O-N 2.96Å; L1333-L1337 HydrophobicContact CB-CB 4.38Å; L1333-L1337 HydrophobicContact CD2-CB 4.2Å; L1333-L1337 HydrophobicContact CD2-CD1 4.33Å; L1333-R1338 HydrophobicContact CB-CG 4.14Å; L1333-R1338 PolarHBondContact O-NE 3.39Å
1334P34.2Very low34.4Very low65 Ų6599.9 Ų99.942%0.42256%0.559SS.*  trans-51.1149.4168.1-27.434.4000112.4E1336 L1337 R1338P1334-E1336 PolarHBondContact O-N 3.49Å; P1334-E1336 VanDerWaalsContact O-N 3.09Å; P1334-L1337 HydrophobicContact CG-CD1 4.45Å; P1334-L1337 PolarHBondContact O-N 3.34Å; P1334-R1338 PolarHBondContact O-N 3.28Å
1335P38.9Very low34.6Very low93 Ų9396.3 Ų96.360%0.60454%0.544SS*.Hα-helixtrans-50-38.6-178.8-28.235.5000113.9L1337 R1338P1335-L1337 VanDerWaalsContact C-N 3.27Å; P1335-L1337 PolarHBondContact O-N 3.23Å; P1335-R1338 PolarHBondContact O-N 3.39Å
1336E41.9Very low34.4Very low61 Ų6193.5 Ų93.529%0.28554%0.535SS..Hα-helixtrans-61.2-31.2178.6-64.177.4-171.800113.5K1189 P1334K1189-E1336 VanDerWaalsContact CE-CG 3.4Å; K1189-E1336 WeakPolarHBondContact CE-OE1 3.47Å; K1189-E1336 HydrophobicContact CG-CG 4.49Å; K1189-E1336 IonicContact NZ-OE1 2.69Å; K1189-E1336 PolarHBondContact NZ-OE1 2.97Å; P1334-E1336 PolarHBondContact O-N 3.49Å; P1334-E1336 VanDerWaalsContact O-N 3.09Å
1337L39.6Very low34.1Very low27 Ų2798.7 Ų98.714%0.14155%0.547CS..Hα-helixtrans-93.5-14.5-177.6-74171.1000113.2L1333 P1334 P1335 Y1339 M1422L1333-L1337 HydrophobicContact CB-CB 4.38Å; L1333-L1337 HydrophobicContact CD2-CB 4.2Å; L1333-L1337 HydrophobicContact CD2-CD1 4.33Å; P1334-L1337 HydrophobicContact CG-CD1 4.45Å; P1334-L1337 PolarHBondContact O-N 3.34Å; P1335-L1337 VanDerWaalsContact C-N 3.27Å; P1335-L1337 PolarHBondContact O-N 3.23Å; L1337-Y1339 VanDerWaalsContact C-N 3.27Å; L1337-M1422 HydrophobicContact CD1-CE 4.1Å
1338R45Very low33.9Very low121 Ų121102.4 Ų102.446%0.45755%0.553SS.*Hα-helixtrans-70.5-26.1171-61.1-177.3-172.1-176.50.9112A1331 L1333 P1334 P1335 F1340 A1341A1331-R1338 PolarHBondContact O-NH2 2.97Å; L1333-R1338 HydrophobicContact CB-CG 4.14Å; L1333-R1338 PolarHBondContact O-NE 3.39Å; P1334-R1338 PolarHBondContact O-N 3.28Å; P1335-R1338 PolarHBondContact O-N 3.39Å; R1338-F1340 PolarHBondContact O-N 3.14Å; R1338-A1341 WeakPolarHBondContact O-CB 3.25Å; R1338-A1341 PolarHBondContact O-N 3.31Å
1339Y39.5Very low33.5Very low137 Ų137106.5 Ų106.554%0.53757%0.569SS.*THydrogen-bonded Turntrans-62-25.6-178.9-131.6-85000114L1337L1337-Y1339 VanDerWaalsContact C-N 3.27Å
1340F38.8Very low33Very low77 Ų77106.9 Ų106.934%0.33858%0.579SS.*THydrogen-bonded Turntrans-86.4-2.9177.4-64.8-83000113.8W1196 R1338 Y1423W1196-F1340 HydrophobicContact CZ3-CE1 4.18Å; R1338-F1340 PolarHBondContact O-N 3.14Å; F1340-Y1423 HydrophobicContact CE2-CE2 4.41Å; F1340-Y1423 HydrophobicContact CZ-CE2 4.46Å
1341A35.5Very low32.3Very low70 Ų70110.7 Ų110.758%0.57959%0.594SS**SBendtrans-95.95.8-171.200000114.6R1338R1338-A1341 WeakPolarHBondContact O-CB 3.25Å; R1338-A1341 PolarHBondContact O-N 3.31Å
1342S29.6Very low31.8Very low83 Ų83114.4 Ų114.458%0.5860%0.6SS**SBendtrans-134.9121.4-172.353.40000113.9
1343S28.6Very low31.4Very low122 Ų122121.3 Ų121.385%0.85361%0.612SS**  trans75.4139.8177.976.90000117.6
1344K23.6Very low31.1Very low183 Ų183124.4 Ų124.480%0.79663%0.629SS**  trans-91.7136.9172.9-76.3-175.5173-1740110.2
1345P29.1Very low30.6Very low80 Ų80128.9 Ų128.952%0.51964%0.644SS.*  trans-80.2121.7151.931.6-28.3000109.5Y1347P1345-Y1347 PolarHBondContact O-N 3.04Å; P1345-Y1347 VanDerWaalsContact O-N 3.16Å
1346T24.3Very low29.9Very low113 Ų113129.4 Ų129.469%0.69365%0.65SS**  trans-86.784.2-176.5-50.10000111.8
1347Y24.9Very low29.1Very low225 Ų225131.4 Ų131.488%0.88267%0.667SS**  trans-134.1119.6163.3-76.2-74.5000110.5P1345P1345-Y1347 PolarHBondContact O-N 3.04Å; P1345-Y1347 VanDerWaalsContact O-N 3.16Å
1348F23.5Very low28.5Very low197 Ų197141 Ų14186%0.86470%0.702SS**  trans-78.8127.5175.7-87.4-94.3000110.9
1349L24.5Very low27.5Very low156 Ų156144.3 Ų144.382%0.81772%0.715SS**  trans-127.6149.6143.7-83173.1000107.5
1350P25.1Very low26.8Very low123 Ų123143.6 Ų143.680%0.79972%0.717SS**PPolyproline II helixtrans-73.5133.4-158.927.3-35000113.3
1351E25Very low26.3Very low182 Ų182147.4 Ų147.485%0.8574%0.735SS**PPolyproline II helixtrans-84.1156.2171.3-73.6-170132.300112.8
1352E27.7Very low25.9Very low144 Ų144148.5 Ų148.567%0.67374%0.739SS**PPolyproline II helixtrans-68.2146.4-167.6-60.2153.7164.300114.2K1432E1352-K1432 IonicContact OE1-NZ 2.94Å; E1352-K1432 PolarHBondContact OE1-NZ 3.29Å; E1352-K1432 WeakPolarHBondContact OE2-CE 3.44Å; E1352-K1432 IonicContact OE2-NZ 3.29Å; E1352-K1432 PolarHBondContact OE2-NZ 3.3Å
1353R26.8Very low25.8Very low239 Ų239149.6 Ų149.690%0.90274%0.737SS**  trans-148.1139.9143.2-65.9-164.3-176.1176.61.8110.1
1354N26.7Very low25.8Very low115 Ų115148.7 Ų148.762%0.61572%0.723SS**  cis-146.7153.9-16-119.250.5000108.9
1355E24Very low26Very low158 Ų158143.6 Ų143.674%0.73872%0.715SS**  trans27.5135.3144.6-61.8175.8124.300122.2
1356S23.9Very low25.9Very low105 Ų105145 Ų14573%0.73471%0.712SS**  trans-58.4156.1152.648.80000113
1357T26.2Very low26Very low103 Ų103147.6 Ų147.663%0.63271%0.714SS**  -179.7100.1107.8-70.30000112.3
1358Y25.9Very low26Very low227 Ų227141.7 Ų141.789%0.8971%0.706SS**  trans-154.3116.2135.4-105.5-87.2000102.2
1359R25.2Very low26Very low192 Ų192142.6 Ų142.673%0.72571%0.705SS**  49126.356.2-72.5-175.7172.6-126.312.6110.6
1360Q24.6Very low26Very low122 Ų122141.7 Ų141.757%0.5770%0.701SS**  cis-156.9162.35.4-137.4161.5-97.300111.2
1361E27.8Very low26Very low157 Ų157143.8 Ų143.873%0.73470%0.698SS**  trans85.8140157.1-71.6135.3-138.800120.3
1362S27.4Very low26Very low92 Ų92139.2 Ų139.264%0.64368%0.682SS**  cis-166126.6-19.939.80000115.2
1363I27.9Very low25.8Very low106 Ų106137.3 Ų137.354%0.54469%0.685SS.*  trans72.3106.7131.6-54.3169.7000123.6N1381I1363-N1381 VanDerWaalsContact CG2-OD1 3.23Å; I1363-N1381 WeakPolarHBondContact CG2-OD1 3.2Å
1364N27.4Very low25.8Very low104 Ų104131.7 Ų131.756%0.55668%0.682SS**  trans36.5135.7133.6-55.2-32.7000125.6S1382N1364-S1382 VanDerWaalsContact CB-CB 3.5Å; N1364-S1382 WeakPolarHBondContact O-CA 3.17Å; N1364-S1382 PolarHBondContact O-N 2.54Å
1365A27.4Very low25.8Very low76 Ų76134.5 Ų134.563%0.62870%0.697SS**  trans-176.2161.9137.100000118.2L1383 T1384A1365-L1383 CarbonylContact C-O 3.56Å; A1365-L1383 VanDerWaalsContact C-O 3.29Å; A1365-L1383 WeakPolarHBondContact CA-O 3.38Å; A1365-T1384 CarbonylContact C-O 3.6Å; A1365-T1384 WeakPolarHBondContact CA-O 3.44Å; A1365-T1384 PolarHBondContact N-O 2.7Å
1366K26.9Very low25.9Very low108 Ų108131 Ų13147%0.4770%0.695SS.*  trans-84139.7-163.6-117.8-176.6-134.5-53.70117.6L1383 T1384K1366-L1383 WeakPolarHBondContact CA-O 3.44Å; K1366-L1383 VanDerWaalsContact CB-O 3.32Å; K1366-L1383 WeakPolarHBondContact CB-O 3.17Å; K1366-L1383 VanDerWaalsContact CG-O 3.27Å; K1366-L1383 WeakPolarHBondContact CG-O 3.43Å; K1366-L1383 PolarHBondContact N-O 2.64Å; K1366-T1384 WeakPolarHBondContact CG-OG1 3.36Å; K1366-T1384 VanDerWaalsContact NZ-CB 3.34Å; K1366-T1384 PolarHBondContact NZ-OG1 3.14Å
1367K26.6Very low26Very low169 Ų169133.1 Ų133.174%0.73570%0.698SS**  trans61.2145.6136.6-85.9-170.8173.3-166.70123.4
1368S24.9Very low26Very low101 Ų101133.8 Ų133.871%0.70670%0.697SS**  trans79.5107.115126.70000121.5
1369Y25.3Very low26Very low215 Ų215129.2 Ų129.284%0.84369%0.689SS**  trans55.9127.2141.5-70.9-72.3000123
1370N24.2Very low26.2Very low137 Ų137126.5 Ų126.573%0.73369%0.688SS**  trans78.384.2146.4-62.1-3.3000120.5
1371F24.7Very low26.4Very low167 Ų167124.9 Ų124.973%0.73268%0.684SS**  trans60.9116.3131.1-98.3-91000122.1
1372T23.8Very low26.3Very low86 Ų86120.1 Ų120.153%0.52867%0.667SS.*  trans77.198.7150.726.90000121.1
1373S24.8Very low26.2Very low104 Ų104121 Ų12173%0.72766%0.664SS**  61.9105.912861.80000120.9
1374S26.6Very low26.1Very low121 Ų121118.4 Ų118.485%0.84665%0.654SS**  -169.9164.396.537.50000111.4
1375L25.7Very low26Very low175 Ų175117.9 Ų117.992%0.91666%0.655SS**  trans-94139.6-177.2-83.368000111.5
1376A26.8Very low26Very low85 Ų85119.7 Ų119.770%0.70266%0.658SS**  173.7133105.400000111.9
1377N26.5Very low26Very low148 Ų148122.3 Ų122.379%0.79168%0.677SS**  trans44.7135.3146.7-56.917.1000119.6
1378N25.6Very low25.9Very low117 Ų117121.5 Ų121.563%0.62668%0.681SS**  cis-163.316811.4-130.244.7000112.4
1379D27Very low26Very low132 Ų132122.8 Ų122.871%0.70668%0.684SS**  trans76.2125.7153.3-53.5-33.5000123
1380D28.6Very low26Very low134 Ų134117.9 Ų117.972%0.71768%0.68SS**  trans71.489.2150.1-71.1-13.9000124.5
1381N28.7Very low26.3Very low89 Ų89118.2 Ų118.248%0.47668%0.677SS.*  84.782.5114.7-61.3-31000122I1363I1363-N1381 VanDerWaalsContact CG2-OD1 3.23Å; I1363-N1381 WeakPolarHBondContact CG2-OD1 3.2Å
1382S26.2Very low26.5Very low56 Ų56118.1 Ų118.139%0.39268%0.676SS.*  91.6108.5106.476.80000122.7N1364N1364-S1382 VanDerWaalsContact CB-CB 3.5Å; N1364-S1382 WeakPolarHBondContact O-CA 3.17Å; N1364-S1382 PolarHBondContact O-N 2.54Å
1383L24.4Very low27.2Very low110 Ų110119.1 Ų119.158%0.57668%0.683SS**  trans-167.6136.6131.6-140.1124000111.6A1365 K1366A1365-L1383 CarbonylContact C-O 3.56Å; A1365-L1383 VanDerWaalsContact C-O 3.29Å; A1365-L1383 WeakPolarHBondContact CA-O 3.38Å; K1366-L1383 WeakPolarHBondContact CA-O 3.44Å; K1366-L1383 VanDerWaalsContact CB-O 3.32Å; K1366-L1383 WeakPolarHBondContact CB-O 3.17Å; K1366-L1383 VanDerWaalsContact CG-O 3.27Å; K1366-L1383 WeakPolarHBondContact CG-O 3.43Å; K1366-L1383 PolarHBondContact N-O 2.64Å
1384T26Very low28.4Very low52 Ų52118.6 Ų118.632%0.31967%0.671SS.*  trans70.1159.4169.9124.90000115.7A1365 K1366A1365-T1384 CarbonylContact C-O 3.6Å; A1365-T1384 WeakPolarHBondContact CA-O 3.44Å; A1365-T1384 PolarHBondContact N-O 2.7Å; K1366-T1384 WeakPolarHBondContact CG-OG1 3.36Å; K1366-T1384 VanDerWaalsContact NZ-CB 3.34Å; K1366-T1384 PolarHBondContact NZ-OG1 3.14Å
1385T26.1Very low29.5Very low94 Ų94116.9 Ų116.958%0.57765%0.649SS**  cis-139.4177.79.4-18.60000112.5
1386T26.2Very low31Very low113 Ų113109.1 Ų109.169%0.69361%0.611SS**  trans63.7114.2168.653.30000118.3
1387N27.3Very low32.9Very low163 Ų163105.6 Ų105.687%0.87258%0.581SS**  trans-153.346.9148.3-120.7-2.9000110.1V1389N1387-V1389 VanDerWaalsContact C-N 3.26Å; N1387-V1389 PolarHBondContact O-N 3.19Å
1388D25.6Very low35.1Very low153 Ų15398.6 Ų98.682%0.81854%0.543SS*.  trans-83.853.2-174.6-69.6-62.9000113.2
1389V26.4Very low37.7Very low127 Ų12793.2 Ų93.277%0.7752%0.515SS*.  trans-138.767.9172-169.30000110.4N1387N1387-V1389 VanDerWaalsContact C-N 3.26Å; N1387-V1389 PolarHBondContact O-N 3.19Å
1390C26Very low40.2Very low113 Ų11389.2 Ų89.276%0.76449%0.49SS*.  trans-159.939.6173.5-136.10000116.9
1391H30.1Very low42.7Very low143 Ų14386.1 Ų86.166%0.66247%0.468SS*.  trans-152.389.5166.3-89.8-62.7000112.2
1392F29.4Very low45.4Very low165 Ų16581.9 Ų81.972%0.72445%0.446SS*.  trans-12471.9172.8-87.1-72.1000111.9F1395F1392-F1395 HydrophobicContact CD1-CE2 4.17Å; F1392-F1395 HydrophobicContact CE1-CE2 4.22Å
1393T38Very low48.2Very low108 Ų10880.9 Ų80.966%0.66344%0.435SS*.SBendtrans-137.1106168.949.90000109.3
1394N48.6Very low51Low92 Ų9282.5 Ų82.549%0.49243%0.433SS..  trans55.588169.3-57.4-19.1000117.2Y1400N1394-Y1400 WeakPolarHBondContact O-CB 3.39Å; N1394-Y1400 WeakPolarHBondContact O-CD2 3.44Å
1395F51Low53.8Low86 Ų8680.2 Ų80.238%0.37742%0.42SS..  trans-86.7135.8166.7-81.1-86.8000112.3F1392 Y1400F1392-F1395 HydrophobicContact CD1-CE2 4.17Å; F1392-F1395 HydrophobicContact CE1-CE2 4.22Å; F1395-Y1400 HydrophobicContact CD1-CE1 4.45Å; F1395-Y1400 HydrophobicContact CD1-CE2 4.01Å; F1395-Y1400 AromaticContact CD1-CZ 3.75Å; F1395-Y1400 WeakPolarHBondContact CD1-OH 3.41Å; F1395-Y1400 HydrophobicContact CE1-CE2 4.3Å
1396G56.7Low56.7Low12 Ų1275.8 Ų75.812%0.12439%0.392CS..SBendtrans93.40.5157.500000117.7L829 W830 Y1400 W1401L829-G1396 VanDerWaalsContact CD2-C 3.47Å; L829-G1396 WeakPolarHBondContact CD2-O 3.38Å; W830-G1396 PolarHBondContact N-O 3.02Å; G1396-Y1400 VanDerWaalsContact N-CD1 3.32Å; G1396-W1401 PolarHBondContact O-NE1 3.41Å; G1396-W1401 VanDerWaalsContact O-NE1 3.08Å
1397D67.6Low59.4Low11 Ų1172.3 Ų72.36%0.05937%0.369CS..BIsolated β-bridgetrans-92.7169.5176.972.955.3000113.2R1198 A1399 Y1400 W1401R1198-D1397 VanDerWaalsContact CZ-CG 3.47Å; R1198-D1397 IonicContact CZ-OD1 2.99Å; R1198-D1397 IonicContact CZ-OD2 2.65Å; R1198-D1397 IonicContact NH1-OD1 3.34Å; R1198-D1397 PolarHBondContact NH1-OD1 3.29Å; R1198-D1397 IonicContact NH1-OD2 3.7Å; R1198-D1397 PolarHBondContact NH1-OD2 3.29Å; R1198-D1397 IonicContact NH2-OD1 3.51Å; R1198-D1397 PolarHBondContact NH2-OD1 3.28Å; R1198-D1397 IonicContact NH2-OD2 3.59Å; D1397-A1399 PolarHBondContact O-N 3.28Å; D1397-A1399 PolarHBondContact OD1-N 3Å; D1397-Y1400 WeakPolarHBondContact O-CB 3.38Å; D1397-Y1400 PolarHBondContact O-N 3.01Å; D1397-Y1400 PolarHBondContact OD1-N 3.22Å; D1397-W1401 PolarHBondContact O-N 2.89Å
1398G72.3Confident62Low0 Ų066.1 Ų66.10%034%0.335CS..Hα-helixtrans-60.3-35.4-174.900000116.7W830 W1401 I1402W830-G1398 VanDerWaalsContact CZ2-CA 3.43Å; G1398-W1401 PolarHBondContact O-N 3.47Å; G1398-I1402 WeakPolarHBondContact O-CG1 3.46Å; G1398-I1402 PolarHBondContact O-N 3.4Å; G1398-I1402 VanDerWaalsContact O-N 3.1Å
1399A79.1Confident64.6Low4 Ų458.9 Ų58.93%0.03330%0.296CS..Hα-helixtrans-68.8-45.8175.700000109.8H1191 L1194 D1397 W1401 I1402 E1403H1191-A1399 PolarHBondContact CD2-O 3.45Å; H1191-A1399 PolarHBondContact NE2-O 2.92Å; L1194-A1399 HydrophobicContact CB-CB 4.31Å; D1397-A1399 PolarHBondContact O-N 3.28Å; D1397-A1399 PolarHBondContact OD1-N 3Å; A1399-W1401 VanDerWaalsContact C-N 3.28Å; A1399-W1401 PolarHBondContact O-N 3.29Å; A1399-I1402 PolarHBondContact O-N 2.85Å; A1399-E1403 WeakPolarHBondContact O-CB 3.42Å; A1399-E1403 PolarHBondContact O-N 3.03Å
1400Y79.9Confident67.2Low49 Ų4952.9 Ų52.919%0.19226%0.259CS..Hα-helixtrans-55.3-40.5173.9170.1-92.1000112.8N1394 F1395 G1396 D1397 R1404N1394-Y1400 WeakPolarHBondContact O-CB 3.39Å; N1394-Y1400 WeakPolarHBondContact O-CD2 3.44Å; F1395-Y1400 HydrophobicContact CD1-CE1 4.45Å; F1395-Y1400 HydrophobicContact CD1-CE2 4.01Å; F1395-Y1400 AromaticContact CD1-CZ 3.75Å; F1395-Y1400 WeakPolarHBondContact CD1-OH 3.41Å; F1395-Y1400 HydrophobicContact CE1-CE2 4.3Å; G1396-Y1400 VanDerWaalsContact N-CD1 3.32Å; D1397-Y1400 WeakPolarHBondContact O-CB 3.38Å; D1397-Y1400 PolarHBondContact O-N 3.01Å; D1397-Y1400 PolarHBondContact OD1-N 3.22Å; Y1400-R1404 WeakPolarHBondContact O-CB 3.38Å; Y1400-R1404 PolarHBondContact O-N 2.78Å
1401W80.7Confident69.7Low68 Ų6851.2 Ų51.226%0.25825%0.249SC..Hα-helixtrans-68.4-41.5177-70.8114000113.1W830 G1396 D1397 G1398 A1399 L1405W830-W1401 HydrophobicContact CE3-CB 4.05Å; W830-W1401 AromaticContact CE3-CD1 3.88Å; W830-W1401 HydrophobicContact CE3-CG 4.23Å; W830-W1401 HydrophobicContact CZ3-CB 4.14Å; G1396-W1401 PolarHBondContact O-NE1 3.41Å; G1396-W1401 VanDerWaalsContact O-NE1 3.08Å; D1397-W1401 PolarHBondContact O-N 2.89Å; G1398-W1401 PolarHBondContact O-N 3.47Å; A1399-W1401 VanDerWaalsContact C-N 3.28Å; A1399-W1401 PolarHBondContact O-N 3.29Å; W1401-L1405 WeakPolarHBondContact O-CB 3.45Å; W1401-L1405 PolarHBondContact O-N 3Å
1402I85.4Confident71.6Confident0 Ų047.5 Ų47.50%023%0.234CC..Hα-helixtrans-70.8-36.4175.3-58.8-179.5000111.3W830 L878 I882 L1187 A1190 H1191 L1194 G1398 A1399 L1405 L1406W830-I1402 HydrophobicContact CH2-CD1 4.34Å; W830-I1402 HydrophobicContact CH2-CG1 4.39Å; L878-I1402 HydrophobicContact CD2-CD1 4.32Å; I882-I1402 HydrophobicContact CD1-CD1 4.01Å; I882-I1402 HydrophobicContact CD1-CG1 3.79Å; I882-I1402 HydrophobicContact CG1-CD1 4.24Å; I882-I1402 HydrophobicContact CG1-CG1 3.95Å; L1187-I1402 HydrophobicContact CB-CG2 4.28Å; L1187-I1402 HydrophobicContact CD2-CG2 4.35Å; A1190-I1402 HydrophobicContact CB-CD1 4.04Å; H1191-I1402 HydrophobicContact CB-CB 4.34Å; H1191-I1402 HydrophobicContact CB-CG2 3.85Å; L1194-I1402 HydrophobicContact CD1-CD1 3.77Å; G1398-I1402 WeakPolarHBondContact O-CG1 3.46Å; G1398-I1402 PolarHBondContact O-N 3.4Å; G1398-I1402 VanDerWaalsContact O-N 3.1Å; A1399-I1402 PolarHBondContact O-N 2.85Å; I1402-L1405 PolarHBondContact O-N 2.85Å; I1402-L1406 HydrophobicContact CG2-CD1 4.03Å; I1402-L1406 HydrophobicContact CG2-CG 4.25Å; I1402-L1406 WeakPolarHBondContact O-CB 3.32Å; I1402-L1406 VanDerWaalsContact O-CG 3.31Å; I1402-L1406 WeakPolarHBondContact O-CG 3.36Å; I1402-L1406 PolarHBondContact O-N 3.35Å
1403E84.7Confident73.5Confident36 Ų3640 Ų4017%0.16820%0.202CC..Hα-helixtrans-58.4-49.6172.2170.7169.1125.900111A1399 L1405 L1406 D1407 L1424 R1428A1399-E1403 WeakPolarHBondContact O-CB 3.42Å; A1399-E1403 PolarHBondContact O-N 3.03Å; E1403-L1405 VanDerWaalsContact C-N 3.31Å; E1403-L1405 PolarHBondContact O-N 2.74Å; E1403-L1406 PolarHBondContact O-N 2.91Å; E1403-D1407 PolarHBondContact O-N 3.26Å; E1403-L1424 HydrophobicContact CB-CD2 4.31Å; E1403-L1424 HydrophobicContact CG-CD1 4.33Å; E1403-L1424 HydrophobicContact CG-CD2 3.98Å; E1403-R1428 VanDerWaalsContact CD-NE 3.27Å; E1403-R1428 IonicContact OE1-CZ 3.52Å; E1403-R1428 IonicContact OE1-NE 3.81Å; E1403-R1428 PolarHBondContact OE1-NE 3.43Å; E1403-R1428 IonicContact OE1-NH2 3.18Å; E1403-R1428 PolarHBondContact OE1-NH2 2.86Å; E1403-R1428 IonicContact OE2-NE 2.62Å; E1403-R1428 PolarHBondContact OE2-NE 3.29Å
1404R83.8Confident74.8Confident143 Ų14340 Ų4054%0.5419%0.194SC..Hα-helixtrans-62.1-38.5176.6-177.2177.3-179.9170.23.8112.2Y1400 K1408Y1400-R1404 WeakPolarHBondContact O-CB 3.38Å; Y1400-R1404 PolarHBondContact O-N 2.78Å; R1404-K1408 WeakPolarHBondContact O-CB 3.34Å; R1404-K1408 PolarHBondContact O-N 3.19Å
1405L84.4Confident75.5Confident5 Ų539.2 Ų39.23%0.02619%0.19CC..Hα-helixtrans-65.2-42.1173.7172.161.7000111.5I882 I885 L889 L1187 W1401 I1402 E1403 K1408 I1409I882-L1405 HydrophobicContact CD1-CD2 3.98Å; I882-L1405 HydrophobicContact CG2-CD2 4.08Å; I885-L1405 HydrophobicContact CB-CD2 4.37Å; I885-L1405 HydrophobicContact CG2-CD1 3.78Å; I885-L1405 HydrophobicContact CG2-CD2 3.64Å; I885-L1405 HydrophobicContact CG2-CG 4.31Å; L889-L1405 HydrophobicContact CD1-CD1 3.44Å; L889-L1405 VanDerWaalsContact CD1-CD1 3.44Å; L1187-L1405 HydrophobicContact CD1-CD2 4.01Å; L1187-L1405 HydrophobicContact CD2-CD2 4.08Å; W1401-L1405 WeakPolarHBondContact O-CB 3.45Å; W1401-L1405 PolarHBondContact O-N 3Å; I1402-L1405 PolarHBondContact O-N 2.85Å; E1403-L1405 VanDerWaalsContact C-N 3.31Å; E1403-L1405 PolarHBondContact O-N 2.74Å; L1405-K1408 WeakPolarHBondContact O-CB 3.47Å; L1405-K1408 PolarHBondContact O-N 3.09Å; L1405-I1409 HydrophobicContact CD1-CD1 4.02Å; L1405-I1409 HydrophobicContact CD1-CG1 4.23Å; L1405-I1409 HydrophobicContact CG-CD1 3.97Å; L1405-I1409 WeakPolarHBondContact O-CG1 3.46Å; L1405-I1409 PolarHBondContact O-N 3.47Å
1406L86.9Confident76.3Confident0 Ų036.8 Ų36.80%018%0.181CC..Hα-helixtrans-65.7-41.9176.3-76.3171.3000111.4I1184 L1187 I1188 H1191 I1402 E1403 K1408 I1409 A1410 I1420 Y1423 L1424I1184-L1406 HydrophobicContact CG2-CD2 4.45Å; L1187-L1406 HydrophobicContact CB-CD2 4.16Å; I1188-L1406 HydrophobicContact CG1-CD1 4.02Å; I1188-L1406 HydrophobicContact CG1-CD2 4.07Å; H1191-L1406 HydrophobicContact CB-CD1 4.43Å; I1402-L1406 HydrophobicContact CG2-CD1 4.03Å; I1402-L1406 HydrophobicContact CG2-CG 4.25Å; I1402-L1406 WeakPolarHBondContact O-CB 3.32Å; I1402-L1406 VanDerWaalsContact O-CG 3.31Å; I1402-L1406 WeakPolarHBondContact O-CG 3.36Å; I1402-L1406 PolarHBondContact O-N 3.35Å; E1403-L1406 PolarHBondContact O-N 2.91Å; L1406-K1408 VanDerWaalsContact C-N 3.28Å; L1406-K1408 PolarHBondContact O-N 2.93Å; L1406-I1409 PolarHBondContact O-N 2.77Å; L1406-A1410 VanDerWaalsContact O-CB 3.26Å; L1406-A1410 WeakPolarHBondContact O-CB 3.4Å; L1406-A1410 PolarHBondContact O-N 2.91Å; L1406-I1420 HydrophobicContact CB-CG2 3.79Å; L1406-I1420 HydrophobicContact CD2-CG2 4.21Å; L1406-I1420 WeakPolarHBondContact O-CG2 3.4Å; L1406-Y1423 HydrophobicContact CD1-CD1 4.31Å; L1406-Y1423 HydrophobicContact CD1-CE1 4.04Å; L1406-L1424 HydrophobicContact CB-CD1 3.96Å; L1406-L1424 HydrophobicContact CB-CD2 4.2Å; L1406-L1424 HydrophobicContact CB-CG 4.38Å; L1406-L1424 HydrophobicContact CD1-CD2 4.07Å
1407D83.4Confident77.1Confident40 Ų4039.8 Ų39.821%0.21419%0.191CC..Hα-helixtrans-63.9-31.9172.8-107.3-37.1000111.9E1403 S1411 L1424 R1428E1403-D1407 PolarHBondContact O-N 3.26Å; D1407-S1411 WeakPolarHBondContact O-CB 3.5Å; D1407-S1411 PolarHBondContact O-N 2.79Å; D1407-L1424 HydrophobicContact CB-CD1 4.06Å; D1407-R1428 IonicContact OD2-CZ 3.47Å; D1407-R1428 IonicContact OD2-NH1 2.76Å; D1407-R1428 PolarHBondContact OD2-NH1 3.02Å; D1407-R1428 IonicContact OD2-NH2 2.71Å; D1407-R1428 PolarHBondContact OD2-NH2 3.17Å
1408K82.6Confident77.4Confident33 Ų3343.3 Ų43.314%0.14322%0.216CC..Hα-helixtrans-69-46.1171-174.4-170.7-176.7-1780112.1D886 L889 D890 R1404 L1405 L1406 A1410 S1411 L1412D886-K1408 PolarHBondContact O-NZ 3.35Å; D886-K1408 WeakPolarHBondContact OD1-CD 3.46Å; D886-K1408 WeakPolarHBondContact OD1-CE 3.35Å; D886-K1408 IonicContact OD1-NZ 2.79Å; D886-K1408 PolarHBondContact OD1-NZ 3.5Å; L889-K1408 HydrophobicContact CB-CD 4.22Å; L889-K1408 HydrophobicContact CD1-CD 4.25Å; D890-K1408 VanDerWaalsContact OD1-CE 3.31Å; D890-K1408 WeakPolarHBondContact OD1-CE 3.03Å; D890-K1408 IonicContact OD1-NZ 2.66Å; D890-K1408 PolarHBondContact OD1-NZ 2.68Å; D890-K1408 IonicContact OD2-NZ 3.88Å; D890-K1408 PolarHBondContact OD2-NZ 2.94Å; R1404-K1408 WeakPolarHBondContact O-CB 3.34Å; R1404-K1408 PolarHBondContact O-N 3.19Å; L1405-K1408 WeakPolarHBondContact O-CB 3.47Å; L1405-K1408 PolarHBondContact O-N 3.09Å; L1406-K1408 VanDerWaalsContact C-N 3.28Å; L1406-K1408 PolarHBondContact O-N 2.93Å; K1408-A1410 VanDerWaalsContact C-N 3.25Å; K1408-A1410 PolarHBondContact O-N 3.24Å; K1408-S1411 PolarHBondContact O-N 3.47Å; K1408-S1411 PolarHBondContact O-OG 3.31Å; K1408-L1412 HydrophobicContact CG-CD1 4.27Å; K1408-L1412 WeakPolarHBondContact O-CG 3.45Å; K1408-L1412 PolarHBondContact O-N 3.02Å; K1408-L1412 VanDerWaalsContact O-N 3.14Å
1409I80.4Confident77.4Confident2 Ų245.8 Ų45.81%0.0124%0.237CC..Hα-helixtrans-61.5-38.5175-67.5165.5000110L889 I1184 L1187 L1405 L1406 L1412 S1413 I1420L889-I1409 HydrophobicContact CD1-CD1 4.2Å; L889-I1409 HydrophobicContact CD1-CG1 3.58Å; I1184-I1409 HydrophobicContact CD1-CG2 3.69Å; I1184-I1409 HydrophobicContact CG1-CG2 4.17Å; L1187-I1409 HydrophobicContact CD1-CD1 3.83Å; L1405-I1409 HydrophobicContact CD1-CD1 4.02Å; L1405-I1409 HydrophobicContact CD1-CG1 4.23Å; L1405-I1409 HydrophobicContact CG-CD1 3.97Å; L1405-I1409 WeakPolarHBondContact O-CG1 3.46Å; L1405-I1409 PolarHBondContact O-N 3.47Å; L1406-I1409 PolarHBondContact O-N 2.77Å; I1409-L1412 PolarHBondContact O-N 3.08Å; I1409-S1413 VanDerWaalsContact O-CB 3.22Å; I1409-S1413 WeakPolarHBondContact O-CB 3.47Å; I1409-S1413 PolarHBondContact O-N 3.22Å; I1409-I1420 HydrophobicContact CB-CD1 4.39Å; I1409-I1420 HydrophobicContact CG2-CD1 3.75Å
1410A81Confident77.4Confident0 Ų045.7 Ų45.70%024%0.236CC..Hα-helixtrans-71.1-26.6175.900000114L1406 K1408 K1417 I1420 K1421L1406-A1410 VanDerWaalsContact O-CB 3.26Å; L1406-A1410 WeakPolarHBondContact O-CB 3.4Å; L1406-A1410 PolarHBondContact O-N 2.91Å; K1408-A1410 VanDerWaalsContact C-N 3.25Å; K1408-A1410 PolarHBondContact O-N 3.24Å; A1410-K1417 VanDerWaalsContact O-CB 3.27Å; A1410-K1417 WeakPolarHBondContact O-CB 3.3Å; A1410-K1417 WeakPolarHBondContact O-CD 3.12Å; A1410-K1417 WeakPolarHBondContact O-CG 3.39Å; A1410-I1420 HydrophobicContact CB-CB 3.96Å; A1410-I1420 HydrophobicContact CB-CD1 4.38Å; A1410-I1420 HydrophobicContact CB-CG2 3.88Å; A1410-K1421 HydrophobicContact CB-CG 4.14Å
1411S77.8Confident77.4Confident78 Ų7848.2 Ų48.255%0.54525%0.248SC..Hα-helixtrans-77.8-27.2174.174.90000112.4D1407 K1408D1407-S1411 WeakPolarHBondContact O-CB 3.5Å; D1407-S1411 PolarHBondContact O-N 2.79Å; K1408-S1411 PolarHBondContact O-N 3.47Å; K1408-S1411 PolarHBondContact O-OG 3.31Å
1412L69.4Low77.1Confident65 Ų6548.7 Ų48.734%0.3425%0.254SS..Hα-helixtrans-86.8-40.8176.5-63170000113L889 L1124 K1408 I1409L889-L1412 HydrophobicContact CB-CD1 4.41Å; L889-L1412 HydrophobicContact CD2-CD1 4.26Å; L1124-L1412 HydrophobicContact CD1-CB 3.61Å; L1124-L1412 VanDerWaalsContact CD1-O 3.29Å; L1124-L1412 WeakPolarHBondContact CD1-O 3.44Å; L1124-L1412 HydrophobicContact CG-CB 4.38Å; K1408-L1412 HydrophobicContact CG-CD1 4.27Å; K1408-L1412 WeakPolarHBondContact O-CG 3.45Å; K1408-L1412 PolarHBondContact O-N 3.02Å; K1408-L1412 VanDerWaalsContact O-N 3.14Å; I1409-L1412 PolarHBondContact O-N 3.08Å
1413S70Confident77Confident8 Ų849.3 Ų49.36%0.05626%0.256CS..  trans-101.489.4-169.4-1710000113L1124 I1409 N1415 N1416 K1417L1124-S1413 VanDerWaalsContact CD1-CA 3.42Å; L1124-S1413 VanDerWaalsContact CD1-CB 3.5Å; I1409-S1413 VanDerWaalsContact O-CB 3.22Å; I1409-S1413 WeakPolarHBondContact O-CB 3.47Å; I1409-S1413 PolarHBondContact O-N 3.22Å; S1413-N1415 PolarHBondContact O-N 3.32Å; S1413-N1415 VanDerWaalsContact O-N 3.1Å; S1413-N1416 PolarHBondContact O-N 3.31Å; S1413-N1416 VanDerWaalsContact O-N 3.08Å; S1413-K1417 VanDerWaalsContact O-CB 3.25Å; S1413-K1417 WeakPolarHBondContact O-CB 3.44Å; S1413-K1417 PolarHBondContact O-N 3.29Å
1414E64.2Low76.7Confident108 Ų10847.7 Ų47.751%0.50525%0.248SC..Hα-helixtrans-43.1-44.2175.9-79-70.9100.600113.9K1417E1414-K1417 WeakPolarHBondContact O-CB 3.36Å; E1414-K1417 VanDerWaalsContact OE1-CD 3.29Å; E1414-K1417 WeakPolarHBondContact OE1-CD 3.35Å; E1414-K1417 WeakPolarHBondContact OE1-CE 3.45Å; E1414-K1417 IonicContact OE1-NZ 3.45Å; E1414-K1417 PolarHBondContact OE1-NZ 3.33Å
1415N64.2Low76.1Confident76 Ų7643.6 Ų43.641%0.40625%0.245SC..Hα-helixtrans-64.9-43.5-176.8-52.3-21.5000112.2K1176 S1413K1176-N1415 WeakPolarHBondContact CD-ND2 3.36Å; S1413-N1415 PolarHBondContact O-N 3.32Å; S1413-N1415 VanDerWaalsContact O-N 3.1Å
1416N68.3Low75.3Confident34 Ų3447.3 Ų47.318%0.18226%0.259CS..Hα-helixtrans-95.9-10.2-173.5-65.6-2.5000112.4D1181 I1184 S1413 S1418 A1419 I1420D1181-N1416 PolarHBondContact OD1-ND2 3.06Å; I1184-N1416 WeakPolarHBondContact CD1-ND2 3.34Å; S1413-N1416 PolarHBondContact O-N 3.31Å; S1413-N1416 VanDerWaalsContact O-N 3.08Å; N1416-S1418 VanDerWaalsContact C-N 3.3Å; N1416-S1418 PolarHBondContact O-N 3.11Å; N1416-A1419 PolarHBondContact O-N 2.92Å; N1416-I1420 HydrophobicContact CB-CD1 3.83Å; N1416-I1420 HydrophobicContact CB-CG1 4.33Å; N1416-I1420 WeakPolarHBondContact O-CB 3.41Å; N1416-I1420 VanDerWaalsContact O-CG1 3.31Å; N1416-I1420 WeakPolarHBondContact O-CG1 3.44Å; N1416-I1420 PolarHBondContact O-N 2.99Å
1417K73.9Confident74.4Confident76 Ų7647.6 Ų47.633%0.3326%0.261SS..Hα-helixtrans-49.8-44.1177.9178.1168.1176.2177.50113.4A1410 S1413 E1414 K1421A1410-K1417 VanDerWaalsContact O-CB 3.27Å; A1410-K1417 WeakPolarHBondContact O-CB 3.3Å; A1410-K1417 WeakPolarHBondContact O-CD 3.12Å; A1410-K1417 WeakPolarHBondContact O-CG 3.39Å; S1413-K1417 VanDerWaalsContact O-CB 3.25Å; S1413-K1417 WeakPolarHBondContact O-CB 3.44Å; S1413-K1417 PolarHBondContact O-N 3.29Å; E1414-K1417 WeakPolarHBondContact O-CB 3.36Å; E1414-K1417 VanDerWaalsContact OE1-CD 3.29Å; E1414-K1417 WeakPolarHBondContact OE1-CD 3.35Å; E1414-K1417 WeakPolarHBondContact OE1-CE 3.45Å; E1414-K1417 IonicContact OE1-NZ 3.45Å; E1414-K1417 PolarHBondContact OE1-NZ 3.33Å; K1417-K1421 VanDerWaalsContact O-CB 3.23Å; K1417-K1421 WeakPolarHBondContact O-CB 3.17Å; K1417-K1421 VanDerWaalsContact O-CG 3.29Å; K1417-K1421 WeakPolarHBondContact O-CG 3.37Å; K1417-K1421 PolarHBondContact O-N 3.43Å
1418S72.7Confident73.6Confident85 Ų8550.7 Ų50.759%0.59427%0.27SS*.Hα-helixtrans-67.4-51.1177.955.70000111.7N1416 M1422N1416-S1418 VanDerWaalsContact C-N 3.3Å; N1416-S1418 PolarHBondContact O-N 3.11Å; S1418-M1422 VanDerWaalsContact O-CB 3.25Å; S1418-M1422 WeakPolarHBondContact O-CB 3.45Å; S1418-M1422 PolarHBondContact O-N 3.05Å
1419A73.8Confident72.3Confident52 Ų5252.2 Ų52.243%0.4329%0.285SS..Hα-helixtrans-63.8-45-179.100000112.5N1416 M1422 Y1423N1416-A1419 PolarHBondContact O-N 2.92Å; A1419-M1422 PolarHBondContact O-N 3.13Å; A1419-Y1423 PolarHBondContact O-N 3.41Å
1420I78.1Confident70.8Confident2 Ų255.1 Ų55.11%0.0130%0.304CS..Hα-helixtrans-68.9-44.6179.3-62.4167000110.6I1184 L1406 I1409 A1410 N1416 M1422 Y1423 L1424I1184-I1420 HydrophobicContact CD1-CD1 4.27Å; I1184-I1420 HydrophobicContact CG2-CD1 4.05Å; I1184-I1420 HydrophobicContact CG2-CG1 4.14Å; L1406-I1420 HydrophobicContact CB-CG2 3.79Å; L1406-I1420 HydrophobicContact CD2-CG2 4.21Å; L1406-I1420 WeakPolarHBondContact O-CG2 3.4Å; I1409-I1420 HydrophobicContact CB-CD1 4.39Å; I1409-I1420 HydrophobicContact CG2-CD1 3.75Å; A1410-I1420 HydrophobicContact CB-CB 3.96Å; A1410-I1420 HydrophobicContact CB-CD1 4.38Å; A1410-I1420 HydrophobicContact CB-CG2 3.88Å; N1416-I1420 HydrophobicContact CB-CD1 3.83Å; N1416-I1420 HydrophobicContact CB-CG1 4.33Å; N1416-I1420 WeakPolarHBondContact O-CB 3.41Å; N1416-I1420 VanDerWaalsContact O-CG1 3.31Å; N1416-I1420 WeakPolarHBondContact O-CG1 3.44Å; N1416-I1420 PolarHBondContact O-N 2.99Å; I1420-M1422 VanDerWaalsContact C-N 3.31Å; I1420-M1422 PolarHBondContact O-N 3.43Å; I1420-Y1423 WeakPolarHBondContact O-CB 3.22Å; I1420-Y1423 PolarHBondContact O-N 3.47Å; I1420-Y1423 VanDerWaalsContact O-N 3.16Å; I1420-L1424 HydrophobicContact CG2-CD1 4.21Å; I1420-L1424 HydrophobicContact CG2-CG 4.31Å; I1420-L1424 WeakPolarHBondContact O-CG 3.2Å; I1420-L1424 PolarHBondContact O-N 3.16Å
1421K79.9Confident68.9Low102 Ų10262.2 Ų62.244%0.44333%0.331SS..Hα-helixtrans-66.2-33.6176.1-72.5-167.9171.7-156.20112.6A1410 K1417 A1425A1410-K1421 HydrophobicContact CB-CG 4.14Å; K1417-K1421 VanDerWaalsContact O-CB 3.23Å; K1417-K1421 WeakPolarHBondContact O-CB 3.17Å; K1417-K1421 VanDerWaalsContact O-CG 3.29Å; K1417-K1421 WeakPolarHBondContact O-CG 3.37Å; K1417-K1421 PolarHBondContact O-N 3.43Å; K1421-A1425 WeakPolarHBondContact O-CB 3.29Å; K1421-A1425 PolarHBondContact O-N 2.82Å
1422M75.1Confident66.8Low78 Ų7864.8 Ų64.838%0.38433%0.333SS..Hα-helixtrans-64.9-41.4170.7-176.2-177.466.900111.6L1337 S1418 A1419 I1420 R1426L1337-M1422 HydrophobicContact CD1-CE 4.1Å; S1418-M1422 VanDerWaalsContact O-CB 3.25Å; S1418-M1422 WeakPolarHBondContact O-CB 3.45Å; S1418-M1422 PolarHBondContact O-N 3.05Å; A1419-M1422 PolarHBondContact O-N 3.13Å; I1420-M1422 VanDerWaalsContact C-N 3.31Å; I1420-M1422 PolarHBondContact O-N 3.43Å; M1422-R1426 WeakPolarHBondContact O-CB 3.37Å; M1422-R1426 VanDerWaalsContact O-CG 3.26Å; M1422-R1426 WeakPolarHBondContact O-CG 3.4Å; M1422-R1426 PolarHBondContact O-N 3.02Å
1423Y82.5Confident65Low13 Ų1369.8 Ų69.85%0.05135%0.354CS..Hα-helixtrans-61.9-50.4173.7170.2-102000111.7I1188 H1191 A1192 F1340 L1406 A1419 I1420 A1425 R1426 A1427I1188-Y1423 HydrophobicContact CB-CE1 4.37Å; I1188-Y1423 HydrophobicContact CD1-CD1 4.32Å; I1188-Y1423 HydrophobicContact CD1-CG 4.35Å; I1188-Y1423 HydrophobicContact CG1-CD1 3.89Å; I1188-Y1423 HydrophobicContact CG1-CE1 4.02Å; I1188-Y1423 HydrophobicContact CG1-CG 4.31Å; I1188-Y1423 HydrophobicContact CG2-CD1 4.34Å; I1188-Y1423 HydrophobicContact CG2-CD2 3.92Å; I1188-Y1423 HydrophobicContact CG2-CE1 4.13Å; I1188-Y1423 HydrophobicContact CG2-CE2 3.68Å; I1188-Y1423 HydrophobicContact CG2-CG 4.25Å; I1188-Y1423 PolarHBondContact O-OH 3.39Å; H1191-Y1423 AromaticContact ND1-CE1 3.61Å; H1191-Y1423 AromaticContact ND1-CZ 3.63Å; H1191-Y1423 PolarHBondContact ND1-OH 3.49Å; A1192-Y1423 PolarHBondContact N-OH 3.49Å; F1340-Y1423 HydrophobicContact CE2-CE2 4.41Å; F1340-Y1423 HydrophobicContact CZ-CE2 4.46Å; L1406-Y1423 HydrophobicContact CD1-CD1 4.31Å; L1406-Y1423 HydrophobicContact CD1-CE1 4.04Å; A1419-Y1423 PolarHBondContact O-N 3.41Å; I1420-Y1423 WeakPolarHBondContact O-CB 3.22Å; I1420-Y1423 PolarHBondContact O-N 3.47Å; I1420-Y1423 VanDerWaalsContact O-N 3.16Å; Y1423-A1425 PolarHBondContact O-N 3.32Å; Y1423-R1426 CarbonylContact O-C 3.29Å; Y1423-R1426 PolarHBondContact O-N 2.99Å; Y1423-A1427 WeakPolarHBondContact O-CB 3.47Å; Y1423-A1427 PolarHBondContact O-N 3.46Å
1424L78.9Confident63Low1 Ų175.7 Ų75.71%0.00539%0.39CS..Hα-helixtrans-65.2-38.2179.8-66.4-176.9000112.3E1403 L1406 D1407 I1420 R1426 A1427 R1428E1403-L1424 HydrophobicContact CB-CD2 4.31Å; E1403-L1424 HydrophobicContact CG-CD1 4.33Å; E1403-L1424 HydrophobicContact CG-CD2 3.98Å; L1406-L1424 HydrophobicContact CB-CD1 3.96Å; L1406-L1424 HydrophobicContact CB-CD2 4.2Å; L1406-L1424 HydrophobicContact CB-CG 4.38Å; L1406-L1424 HydrophobicContact CD1-CD2 4.07Å; D1407-L1424 HydrophobicContact CB-CD1 4.06Å; I1420-L1424 HydrophobicContact CG2-CD1 4.21Å; I1420-L1424 HydrophobicContact CG2-CG 4.31Å; I1420-L1424 WeakPolarHBondContact O-CG 3.2Å; I1420-L1424 PolarHBondContact O-N 3.16Å; L1424-R1426 VanDerWaalsContact C-N 3.34Å; L1424-R1426 PolarHBondContact O-N 3.21Å; L1424-A1427 PolarHBondContact O-N 3.03Å; L1424-R1428 VanDerWaalsContact O-CB 3.27Å; L1424-R1428 WeakPolarHBondContact O-CB 3.17Å; L1424-R1428 VanDerWaalsContact O-CG 3.22Å; L1424-R1428 WeakPolarHBondContact O-CG 3.31Å; L1424-R1428 PolarHBondContact O-N 3.22Å
1425A71.7Confident61.2Low57 Ų5777.4 Ų77.447%0.47140%0.401SS..Hα-helixtrans-62.3-40.6172.700000112K1421 Y1423 S1429K1421-A1425 WeakPolarHBondContact O-CB 3.29Å; K1421-A1425 PolarHBondContact O-N 2.82Å; Y1423-A1425 PolarHBondContact O-N 3.32Å; A1425-S1429 PolarHBondContact O-N 3.15Å
1426R66Low59.5Low83 Ų8381.1 Ų81.131%0.31342%0.416SS..Hα-helixtrans-69.7-35.1174.5-72.4174-179-169.60.7112.7M1422 Y1423 L1424 S1429 P1430M1422-R1426 WeakPolarHBondContact O-CB 3.37Å; M1422-R1426 VanDerWaalsContact O-CG 3.26Å; M1422-R1426 WeakPolarHBondContact O-CG 3.4Å; M1422-R1426 PolarHBondContact O-N 3.02Å; Y1423-R1426 CarbonylContact O-C 3.29Å; Y1423-R1426 PolarHBondContact O-N 2.99Å; L1424-R1426 VanDerWaalsContact C-N 3.34Å; L1424-R1426 PolarHBondContact O-N 3.21Å; R1426-S1429 CarbonylContact O-C 3.51Å; R1426-P1430 WeakPolarHBondContact O-CA 3.38Å; R1426-P1430 WeakPolarHBondContact O-CB 3.36Å; R1426-P1430 WeakPolarHBondContact O-CD 3.36Å
1427A67.8Low57.4Low6 Ų686.3 Ų86.35%0.0544%0.443CS..Hα-helixtrans-69.3-43.6175.300000111.8Y1423 L1424 S1429Y1423-A1427 WeakPolarHBondContact O-CB 3.47Å; Y1423-A1427 PolarHBondContact O-N 3.46Å; L1424-A1427 PolarHBondContact O-N 3.03Å; A1427-S1429 VanDerWaalsContact C-N 3.32Å; A1427-S1429 PolarHBondContact O-N 3.32Å
1428R67.2Low55.1Low105 Ų10590.9 Ų90.940%0.39647%0.465SS..Hα-helixtrans-69.6-22.4175.7-70170.1174.6151.70113.5E1403 D1407 L1424E1403-R1428 VanDerWaalsContact CD-NE 3.27Å; E1403-R1428 IonicContact OE1-CZ 3.52Å; E1403-R1428 IonicContact OE1-NE 3.81Å; E1403-R1428 PolarHBondContact OE1-NE 3.43Å; E1403-R1428 IonicContact OE1-NH2 3.18Å; E1403-R1428 PolarHBondContact OE1-NH2 2.86Å; E1403-R1428 IonicContact OE2-NE 2.62Å; E1403-R1428 PolarHBondContact OE2-NE 3.29Å; D1407-R1428 IonicContact OD2-CZ 3.47Å; D1407-R1428 IonicContact OD2-NH1 2.76Å; D1407-R1428 PolarHBondContact OD2-NH1 3.02Å; D1407-R1428 IonicContact OD2-NH2 2.71Å; D1407-R1428 PolarHBondContact OD2-NH2 3.17Å; L1424-R1428 VanDerWaalsContact O-CB 3.27Å; L1424-R1428 WeakPolarHBondContact O-CB 3.17Å; L1424-R1428 VanDerWaalsContact O-CG 3.22Å; L1424-R1428 WeakPolarHBondContact O-CG 3.31Å; L1424-R1428 PolarHBondContact O-N 3.22Å
1429S55.4Low52.8Low65 Ų6591.9 Ų91.946%0.45547%0.468SS..  trans-155.773.7-177.4-73.30000112.3A1425 R1426 A1427 Y1431 K1432A1425-S1429 PolarHBondContact O-N 3.15Å; R1426-S1429 CarbonylContact O-C 3.51Å; A1427-S1429 VanDerWaalsContact C-N 3.32Å; A1427-S1429 PolarHBondContact O-N 3.32Å; S1429-Y1431 PolarHBondContact O-N 3.37Å; S1429-K1432 PolarHBondContact O-N 3.39Å
1430P49.6Very low50.6Low63 Ų6397.7 Ų97.741%0.40949%0.49SS..THydrogen-bonded Turntrans-65.9-6-170.322.4-33000116.4R1426R1426-P1430 WeakPolarHBondContact O-CA 3.38Å; R1426-P1430 WeakPolarHBondContact O-CB 3.36Å; R1426-P1430 WeakPolarHBondContact O-CD 3.36Å
1431Y40.2Very low47.9Very low149 Ų149106.1 Ų106.158%0.58453%0.53SS*.THydrogen-bonded Turntrans-122.7-8.3-174.4-56.5-60.2000115.2S1429 Q1433S1429-Y1431 PolarHBondContact O-N 3.37Å; Y1431-Q1433 PolarHBondContact O-N 3.45Å; Y1431-Q1433 VanDerWaalsContact O-N 3.16Å
1432K34Very low45.5Very low132 Ų132106.4 Ų106.457%0.57454%0.542SS*.  trans-9237.9-164.3-144171.3-169.6177.90116E1352 S1429E1352-K1432 IonicContact OE1-NZ 2.94Å; E1352-K1432 PolarHBondContact OE1-NZ 3.29Å; E1352-K1432 WeakPolarHBondContact OE2-CE 3.44Å; E1352-K1432 IonicContact OE2-NZ 3.29Å; E1352-K1432 PolarHBondContact OE2-NZ 3.3Å; S1429-K1432 PolarHBondContact O-N 3.39Å
1433Q31.9Very low43.1Very low170 Ų170110.5 Ų110.579%0.79456%0.562SS**  trans-142.786.6170.2-79.2-163.5-3000113.3Y1431Y1431-Q1433 PolarHBondContact O-N 3.45Å; Y1431-Q1433 VanDerWaalsContact O-N 3.16Å
1434V28Very low40.3Very low133 Ų133116.4 Ų116.481%0.80660%0.595SS**  trans-138.7153.2154.2-164.40000107.2
1435I27Very low37.7Very low143 Ų143122.3 Ų122.373%0.73363%0.631SS**  trans74.6111.9174.4-46.7179000115.4
1436H27Very low35.5Very low155 Ų155126.8 Ų126.872%0.71865%0.645SS**  -165.6155.7110.7-115.7-77.6000114.2
1437L24.9Very low33.6Very low142 Ų142128 Ų12874%0.74367%0.667SS**  trans104.2127.6-178.2-64.6163.5000113
1438H26.4Very low31.7Very low172 Ų172132.4 Ų132.480%0.79670%0.697SS**  cis-120.6161.610.8-106.3-88.3000114.5
1439T24.7Very low29.7Very low107 Ų107133 Ų13366%0.65672%0.717SS**  trans-94.1150.5174.541.20000112.9
1440L25.8Very low28.4Very low173 Ų173134.9 Ų134.991%0.90673%0.73SS**  -176.4146.9125.4-96.5163.5000111.4
1441Q23.2Very low27.3Very low180 Ų180136.3 Ų136.384%0.84174%0.742SS**  trans-109.3-171.1178.1-79.2-166.6-42.600109.1
1442P28.1Very low26.6Very low108 Ų108134.4 Ų134.470%0.70175%0.75SS**  cis-149.2-172.51343.6-21.7000119.6
1443M24.5Very low26.2Very low163 Ų163132.4 Ų132.480%0.80375%0.753SS**  trans92.3142.1154.1-66.6-58.4-67.800121.8
1444D23.5Very low25.9Very low137 Ų137131.1 Ų131.173%0.73375%0.752SS**  trans-111.8-177.6-169.3-46.3-95.3000113.9
1445V25.9Very low25.8Very low126 Ų126130.6 Ų130.676%0.76475%0.748SS**  trans157.698.2144.6156.20000108.2
1446I25.4Very low25.8Very low150 Ų150129.8 Ų129.877%0.76975%0.75SS**  74.3111.482.9-64.5164.1000115.4
1447S25.7Very low25.9Very low110 Ų110130.4 Ų130.477%0.76975%0.753SS**  trans171.7145.7140.350.90000109.6
1448S26.6Very low26.3Very low98 Ų98132.4 Ų132.469%0.68576%0.759SS**  cis-172.5125.1-11.747.20000107.4
1449S26.7Very low26.2Very low118 Ų118130.2 Ų130.283%0.82576%0.761SS**  67.6161.893.589.60000115.6
1450S27.2Very low26.1Very low104 Ų104133.8 Ų133.873%0.72777%0.77SS**  cis-146.8-147.1-6.547.50000107.6
1451S26.9Very low26Very low92 Ų92132.9 Ų132.964%0.64376%0.762SS**  cis-171.5153.4-4.520.40000106.5
1452S24.8Very low26.1Very low110 Ų110132.3 Ų132.377%0.76976%0.756SS**  cis78.7137.524.4750000116.7
1453S25.7Very low26.2Very low90 Ų90135 Ų13563%0.62976%0.759SS**  cis-174.4-158-13.849.80000109.8
1454N26.7Very low26.8Very low143 Ų143136.3 Ų136.377%0.76576%0.764SS**  trans86.7156.1156.8-54.7-11.9000118.5
1455V25.8Very low26.8Very low121 Ų121137.6 Ų137.673%0.73377%0.769SS**  cis-166.3135.3-10.21280000114
1456V26.4Very low26.8Very low127 Ų127138.4 Ų138.477%0.7778%0.775SS**  trans49128.8139.8-176.90000125.4
1457Q30Very low26.9Very low168 Ų168137 Ų13779%0.78577%0.773SS**  -170.4162.2121-117.9-161.922.600117.4
1458Q32.7Very low26.8Very low184 Ų184136.3 Ų136.386%0.8677%0.768SS**  trans75172.7165.6-67.2-163.85.300121.3
1459C23.8Very low26.6Very low125 Ų125139.3 Ų139.385%0.84577%0.771SS**  trans-145.5172.9-147.6-1640000114.8
1460Q23.1Very low26.4Very low183 Ų183140 Ų14086%0.85577%0.765SS**  trans68.859.3176.9-69.5-163.2-1100118.5
1461Q23.4Very low26.3Very low154 Ų154139.7 Ų139.772%0.7276%0.763SS**  trans-162.3147.6142.6-123.1-178.476.800112.5
1462K25.9Very low26.1Very low167 Ų167142.3 Ų142.373%0.72677%0.77SS**  trans63.1-177.1149.7-77.9174.8-179.1148.80119.3
1463Q28.8Very low26.1Very low164 Ų164142.3 Ų142.377%0.76677%0.766SS**SBendtrans-43.6171.2174.4-59.3142-52.300115.5
1464Q37.1Very low26Very low192 Ų192145.9 Ų145.990%0.89777%0.774SS**  trans79.698.3176.7-53.8-176.7-5.600114.1
1465L24.5Very low25.8Very low163 Ų163145.2 Ų145.285%0.85377%0.771SS**  trans-134.2117.3172.4-92.6164.6000109.5V1467L1465-V1467 HydrophobicContact CD2-CG2 4.33Å
1466T26.4Very low25.8Very low143 Ų143143.7 Ų143.788%0.87777%0.766SS**  trans-126.7100.2169.533.30000108.6
1467V27.2Very low25.6Very low121 Ų121142.8 Ų142.873%0.73377%0.765SS**  trans-132.7100.9178.5179.90000110.6L1465L1465-V1467 HydrophobicContact CD2-CG2 4.33Å
1468S23.1Very low25.4Very low95 Ų95141.9 Ų141.966%0.66476%0.758SS**  trans24.9127.1145.568.10000122.1
1469H23.1Very low24.9Very low162 Ų162141.2 Ų141.275%0.7576%0.755SS**  56.8129124.8-81-74.4000123.6
1470N22.7Very low24.9Very low131 Ų131141.3 Ų141.370%0.70175%0.752SS**  90.7141128.6-72.30.2000121.8
1471S23.7Very low24.9Very low98 Ų98140.4 Ų140.469%0.68575%0.751SS**  trans64.1117.4156.134.40000117.1
1472N23.7Very low25Very low147 Ų147136.5 Ų136.579%0.78675%0.752SS**  67132.468.9-64.6-1000112.2
1473T24.1Very low25Very low110 Ų110136.6 Ų136.668%0.67576%0.76SS**  cis-170.6150.7-4.816.90000108.3
1474M23.6Very low24.7Very low165 Ų165135.8 Ų135.881%0.81376%0.76SS**  trans65.7159.1155.9-73-176174.100117
1475N23.5Very low24.1Very low129 Ų129132.8 Ų132.869%0.6975%0.751SS**  cis-153.2163.8-8.2-126.2-13.7000113.6
1476S24Very low24Very low90 Ų90132.6 Ų132.663%0.62975%0.745SS**  trans53.9111.5146.465.80000122.8
1477S24Very low23.9Very low107 Ų107130.7 Ų130.775%0.74873%0.734SS**  64.8111.9118.4-47.30000121.9
1478K25.3Very low23.7Very low149 Ų149130.8 Ų130.865%0.64873%0.73SS**  -177.8142.798.2-100.5-176.3178.8-178.80114.6
1479E22.8Very low23.7Very low170 Ų170132.2 Ų132.279%0.79474%0.735SS**  trans-25.4153.5139.4-84.3171.1163.400115.9
1480V23Very low23.6Very low127 Ų127131.2 Ų131.277%0.7773%0.733SS**  cis-150.4176.420.9-167.40000109.9
1481I22.5Very low23.6Very low164 Ų164133.3 Ų133.384%0.84174%0.736SS**  trans89.1120159.9-48.8174.8000116.1
1482G25.7Very low23.8Very low72 Ų72135.7 Ų135.774%0.74274%0.741SS**  trans176.337177.900000119.8
1483L27Very low23.9Very low170 Ų170135.1 Ų135.189%0.8974%0.737SS**  trans39.8123.3159.1-67.1167.4000122.5
1484N21.9Very low24Very low146 Ų146136 Ų13678%0.78174%0.744SS**  trans-43.4176.9168.9-52.9-2.3000120.7
1485N25.4Very low24Very low129 Ų129136.8 Ų136.869%0.6974%0.744SS**  trans90.8121.6164.4-63.221000115
1486E21.8Very low24.1Very low159 Ų159135.2 Ų135.274%0.74374%0.743SS**  72.513065.1-67.1-179.2167.500112.8
1487T23.1Very low24.2Very low103 Ų103136 Ų13663%0.63275%0.748SS**  cis-161148.6-1.99.50000112.1
1488D23.4Very low24.2Very low123 Ų123136.5 Ų136.566%0.65875%0.747SS**  trans49.9171.5148.7-56.4-36.1000125.4
1489V22.8Very low24.2Very low126 Ų126135.6 Ų135.676%0.76475%0.749SS**  trans105.392.1151.6-172.70000121.1
1490I22.4Very low24.4Very low141 Ų141134.1 Ų134.172%0.72375%0.747SS**  92.9117.9128.8-70.9-177.4000125.5
1491F23Very low24.6Very low174 Ų174130.5 Ų130.576%0.76374%0.736SS**  trans50.8134.2138.9-73.1-121.9000125.3
1492N26.1Very low24.8Very low148 Ų148129.8 Ų129.879%0.79173%0.733SS**  -176.8166.491.1-112.7-32.8000116.2
1493I26.2Very low24.9Very low136 Ų136131.6 Ų131.670%0.69773%0.726SS**  trans-145.3153.7175.7-35.8175.7000110F1495I1493-F1495 HydrophobicContact CG2-CD2 4.3Å; I1493-F1495 HydrophobicContact CG2-CE2 4.05Å
1494P27.3Very low24.9Very low127 Ų127125.8 Ų125.883%0.82570%0.7SS**  -150.2-174.2125.337.5-18.8000117.3
1495F23.9Very low25.2Very low182 Ų182123.9 Ų123.980%0.79870%0.698SS**  trans-128.6172.6-167.3-76.7-111.2000111.9I1493I1493-F1495 HydrophobicContact CG2-CD2 4.3Å; I1493-F1495 HydrophobicContact CG2-CE2 4.05Å
1496S24.2Very low25.3Very low96 Ų96122.3 Ų122.367%0.67169%0.688SS**  cis-173.9166.5-30.5630000110.3
1497S25.9Very low25.5Very low106 Ų106119.1 Ų119.174%0.74168%0.675SS**  trans-175.7143.3162.514.60000110.6
1498T24.8Very low25.8Very low118 Ų118121 Ų12172%0.72468%0.677SS**  cis86.7137.621.670.90000115.9
1499N25.5Very low25.9Very low130 Ų130121.3 Ų121.370%0.69568%0.679SS**  cis-161-172.9-6-115.430.7000108.6
1500D25.9Very low26.3Very low139 Ų139119.3 Ų119.374%0.74367%0.67SS**  cis-159.7171.69.8-137.9-45.6000113.5
1501G26.9Very low26.3Very low52 Ų52117.8 Ų117.854%0.53667%0.672SS.*  trans71.5-172.2156.400000119.8
1502N28.1Very low26.4Very low148 Ų148114.9 Ų114.979%0.79167%0.672SS**  cis-178163.5-26-91.5-9.6000107
1503N27.5Very low26.3Very low111 Ų111114.6 Ų114.659%0.59467%0.67SS**  cis-163.4169.1-8.7-111.512000108.1
1504S27.9Very low26.2Very low48 Ų48115.1 Ų115.134%0.33667%0.673SS.*  cis-176.6105.2-34.553.40000112.1Q1262Q1262-S1504 WeakPolarHBondContact CG-OG 3.43Å
1505S26.6Very low26Very low105 Ų105114.1 Ų114.173%0.73467%0.665SS**  trans-161.4117.1165.348.70000110.4
1506M28.7Very low25.9Very low97 Ų97111 Ų11148%0.47866%0.661SS.*  84.6135.582.2-75.4168.1143.500114.2F1264F1264-M1506 HydrophobicContact CB-CE 3.88Å; F1264-M1506 HydrophobicContact CB-SD 3.86Å; F1264-M1506 HydrophobicContact CD1-CE 3.93Å; F1264-M1506 HydrophobicContact CD2-CB 4.48Å; F1264-M1506 HydrophobicContact CD2-CE 3.69Å; F1264-M1506 HydrophobicContact CD2-CG 4.4Å; F1264-M1506 HydrophobicContact CD2-SD 3.23Å; F1264-M1506 WeakPolarHBondContact CD2-SD 3.5Å; F1264-M1506 HydrophobicContact CE1-CE 4.32Å; F1264-M1506 HydrophobicContact CE2-CB 4.34Å; F1264-M1506 HydrophobicContact CE2-CE 4.1Å; F1264-M1506 HydrophobicContact CE2-CG 4.46Å; F1264-M1506 HydrophobicContact CE2-SD 3.8Å; F1264-M1506 HydrophobicContact CG-CE 3.59Å; F1264-M1506 HydrophobicContact CG-SD 3.67Å; F1264-M1506 HydrophobicContact CZ-CE 4.4Å
1507N26.1Very low25.9Very low91 Ų91111.6 Ų111.649%0.48767%0.665SS.*  cis-160.5154.5-2.4-130.2-17000113.9
1508Q28.5Very low25.7Very low143 Ų143111.4 Ų111.467%0.66867%0.67SS**  trans62.4150.1151.2-62.816941.300120.4
1509N26.7Very low25.8Very low130 Ų130111.4 Ų111.470%0.69567%0.67SS**  cis-159.5116-25.8-107.3-2.3000107.2
1510S29.4Very low25.9Very low84 Ų84108.1 Ų108.159%0.58767%0.667SS**  55.7112.59875.30000114.2
1511S24.3Very low26.1Very low109 Ų109103.7 Ų103.776%0.76265%0.645SS**  cis58.7114.830.7106.90000112.5
1512C24.3Very low26.5Very low113 Ų113110.6 Ų110.676%0.76466%0.655SS**  113.6173.563.3-168.70000108.6
1513L23Very low26.9Very low141 Ų141106.7 Ų106.774%0.73863%0.634SS**  trans81.3121.3178.2-50.1173.2000114.3
1514L23.8Very low27.4Very low147 Ų147106.2 Ų106.277%0.7763%0.628SS**  57.6109.263.8-73.4163.7000112.6
1515T23.4Very low27.9Very low107 Ų107112.7 Ų112.766%0.65665%0.645SS**  -177.2163.999.539.60000113.1
1516T22.7Very low28.7Very low115 Ų115109.1 Ų109.171%0.70662%0.616SS**  trans64.999.1145.9490000121.7
1517S23.1Very low29.4Very low109 Ų109111.5 Ų111.576%0.76262%0.62SS**  48.689.6117.664.90000120.3
1518A23.2Very low30.2Very low102 Ų102110.1 Ų110.184%0.84362%0.621SS**  trans-147.555.6151.900000110.9
1519V26.1Very low30.9Very low119 Ų119105.5 Ų105.572%0.72161%0.607SS**  trans-117.986.5-170.5-173.50000111.1T1521V1519-T1521 PolarHBondContact O-N 2.94Å
1520G28.5Very low31.7Very low61 Ų61100.2 Ų100.263%0.62958%0.578SS**  trans-63.8119.5154.700000107.5
1521T30.2Very low32.5Very low46 Ų4699.5 Ų99.528%0.28257%0.566SS.*  trans-70.2145.5-150.460.10000112.9V1519 D1523 E1524 R1525V1519-T1521 PolarHBondContact O-N 2.94Å; T1521-D1523 PolarHBondContact O-N 3.34Å; T1521-D1523 VanDerWaalsContact O-N 3.11Å; T1521-E1524 WeakPolarHBondContact CB-OE2 3.48Å; T1521-E1524 PolarHBondContact N-OE2 3.01Å; T1521-E1524 PolarHBondContact O-N 2.97Å; T1521-E1524 VanDerWaalsContact O-N 3.08Å; T1521-E1524 VanDerWaalsContact OG1-CG 3.29Å; T1521-E1524 WeakPolarHBondContact OG1-CG 3.34Å; T1521-E1524 PolarHBondContact OG1-N 2.96Å; T1521-E1524 PolarHBondContact OG1-OE2 3.16Å; T1521-R1525 PolarHBondContact O-N 3.11Å
1522R34.4Very low33.4Very low197 Ų197103.1 Ų103.174%0.74356%0.563SS**Hα-helixtrans-52.8-30.9166.9-170.9171.7173.8-176.8-4.1110.2R1525 K1526R1522-R1525 PolarHBondContact O-N 3.11Å; R1522-K1526 WeakPolarHBondContact O-CG 3.43Å; R1522-K1526 PolarHBondContact O-N 2.71Å
1523D35.9Very low34.4Very low66 Ų66104.2 Ų104.235%0.35355%0.551SS.*Hα-helixtrans-76-29.8178.1-57-68.4000115T1521 K1526 R1527T1521-D1523 PolarHBondContact O-N 3.34Å; T1521-D1523 VanDerWaalsContact O-N 3.11Å; D1523-K1526 CarbonylContact O-C 3.44Å; D1523-K1526 PolarHBondContact O-N 2.78Å; D1523-K1526 VanDerWaalsContact OD1-CD 3.24Å; D1523-K1526 WeakPolarHBondContact OD1-CD 3.46Å; D1523-K1526 WeakPolarHBondContact OD1-CE 3.43Å; D1523-K1526 IonicContact OD1-NZ 3.87Å; D1523-K1526 PolarHBondContact OD1-NZ 3.11Å; D1523-R1527 WeakPolarHBondContact O-CB 3.41Å; D1523-R1527 VanDerWaalsContact O-CG 3.31Å; D1523-R1527 WeakPolarHBondContact O-CG 3.03Å; D1523-R1527 PolarHBondContact O-N 3.31Å
1524E37.8Very low35.4Very low101 Ų10199.4 Ų99.447%0.47252%0.524SS..Hα-helixtrans-65.2-41.5167.4-78.9159.9102.400111.1T1521 K1526 R1527 A1528T1521-E1524 WeakPolarHBondContact CB-OE2 3.48Å; T1521-E1524 PolarHBondContact N-OE2 3.01Å; T1521-E1524 PolarHBondContact O-N 2.97Å; T1521-E1524 VanDerWaalsContact O-N 3.08Å; T1521-E1524 VanDerWaalsContact OG1-CG 3.29Å; T1521-E1524 WeakPolarHBondContact OG1-CG 3.34Å; T1521-E1524 PolarHBondContact OG1-N 2.96Å; T1521-E1524 PolarHBondContact OG1-OE2 3.16Å; E1524-K1526 VanDerWaalsContact C-N 3.33Å; E1524-K1526 PolarHBondContact O-N 2.99Å; E1524-R1527 PolarHBondContact O-N 3.27Å; E1524-A1528 WeakPolarHBondContact O-CB 3.33Å; E1524-A1528 PolarHBondContact O-N 3.02Å
1525R39.5Very low36.5Very low184 Ų18499.6 Ų99.669%0.69451%0.514SS*.Hα-helixtrans-66.4-32.6172.2-62.1-173.5-174.8-177.82.8111.9T1521 R1522 A1529T1521-R1525 PolarHBondContact O-N 3.11Å; R1522-R1525 PolarHBondContact O-N 3.11Å; R1525-A1529 WeakPolarHBondContact O-CB 3.48Å; R1525-A1529 PolarHBondContact O-N 3.46Å
1526K42.3Very low37.5Very low30 Ų3099 Ų9913%0.1351%0.507CS..Hα-helixtrans-65.2-50.2169.2-68.7177.1-161.5162.60111.1L808 E811 R1522 D1523 E1524 A1529 Q1530L808-K1526 HydrophobicContact CD2-CD 3.74Å; E811-K1526 IonicContact OE2-NZ 2.69Å; E811-K1526 PolarHBondContact OE2-NZ 3.08Å; R1522-K1526 WeakPolarHBondContact O-CG 3.43Å; R1522-K1526 PolarHBondContact O-N 2.71Å; D1523-K1526 CarbonylContact O-C 3.44Å; D1523-K1526 PolarHBondContact O-N 2.78Å; D1523-K1526 VanDerWaalsContact OD1-CD 3.24Å; D1523-K1526 WeakPolarHBondContact OD1-CD 3.46Å; D1523-K1526 WeakPolarHBondContact OD1-CE 3.43Å; D1523-K1526 IonicContact OD1-NZ 3.87Å; D1523-K1526 PolarHBondContact OD1-NZ 3.11Å; E1524-K1526 VanDerWaalsContact C-N 3.33Å; E1524-K1526 PolarHBondContact O-N 2.99Å; K1526-A1529 CarbonylContact O-C 2.86Å; K1526-A1529 WeakPolarHBondContact O-CA 3.5Å; K1526-A1529 WeakPolarHBondContact O-CB 3.46Å; K1526-A1529 PolarHBondContact O-N 3.5Å; K1526-A1529 VanDerWaalsContact O-N 3.1Å; K1526-Q1530 PolarHBondContact O-N 2.69Å
1527R44.7Very low38.5Very low147 Ų14797.9 Ų97.956%0.55550%0.495SS*.Hα-helixtrans-60-47.6-179.7-74.5179.2-140.61576.8111.7D1523 E1524 A1529 Q1530 E1531D1523-R1527 WeakPolarHBondContact O-CB 3.41Å; D1523-R1527 VanDerWaalsContact O-CG 3.31Å; D1523-R1527 WeakPolarHBondContact O-CG 3.03Å; D1523-R1527 PolarHBondContact O-N 3.31Å; E1524-R1527 PolarHBondContact O-N 3.27Å; R1527-A1529 PolarHBondContact O-N 3.48Å; R1527-Q1530 PolarHBondContact O-N 2.93Å; R1527-E1531 WeakPolarHBondContact O-CB 3.37Å; R1527-E1531 PolarHBondContact O-N 2.9Å
1528A43.1Very low39.4Very low61 Ų6196.7 Ų96.750%0.50448%0.478SS..Hα-helixtrans-59.9-31.2175.800000112.7E1524 R1532E1524-A1528 WeakPolarHBondContact O-CB 3.33Å; E1524-A1528 PolarHBondContact O-N 3.02Å; A1528-R1532 WeakPolarHBondContact O-CB 3.37Å; A1528-R1532 WeakPolarHBondContact O-CG 3.47Å; A1528-R1532 PolarHBondContact O-N 3.31Å
1529A43.2Very low40.3Very low46 Ų4696.3 Ų96.338%0.3846%0.458SS..Hα-helixtrans-77.4-36.5172.600000113.1R1525 K1526 R1527 R1533R1525-A1529 WeakPolarHBondContact O-CB 3.48Å; R1525-A1529 PolarHBondContact O-N 3.46Å; K1526-A1529 CarbonylContact O-C 2.86Å; K1526-A1529 WeakPolarHBondContact O-CA 3.5Å; K1526-A1529 WeakPolarHBondContact O-CB 3.46Å; K1526-A1529 PolarHBondContact O-N 3.5Å; K1526-A1529 VanDerWaalsContact O-N 3.1Å; R1527-A1529 PolarHBondContact O-N 3.48Å; A1529-R1533 WeakPolarHBondContact O-CB 3.5Å; A1529-R1533 PolarHBondContact O-N 3.03Å
1530Q43.9Very low40.8Very low20 Ų2095.2 Ų95.29%0.09345%0.447CS..Hα-helixtrans-72.7-42.4177.2-95.4149.2-94.300112.5E729 K1526 R1527 R1532 R1533 K1534E729-Q1530 PolarHBondContact OE1-NE2 3.32Å; E729-Q1530 PolarHBondContact OE2-NE2 3.27Å; K1526-Q1530 PolarHBondContact O-N 2.69Å; R1527-Q1530 PolarHBondContact O-N 2.93Å; Q1530-R1532 VanDerWaalsContact C-N 3.33Å; Q1530-R1532 PolarHBondContact O-N 3.38Å; Q1530-R1533 CarbonylContact O-C 3.56Å; Q1530-R1533 WeakPolarHBondContact O-CB 3.44Å; Q1530-R1533 PolarHBondContact O-N 2.77Å; Q1530-K1534 PolarHBondContact O-N 3.49Å
1531E46Very low41.4Very low69 Ų6996.3 Ų96.332%0.32244%0.441SS..Hα-helixtrans-61-41.6171.3-167.781.5175.400110.7K732 R1527 R1535K732-E1531 IonicContact NZ-OE1 3.95Å; K732-E1531 PolarHBondContact NZ-OE1 3.39Å; K732-E1531 IonicContact NZ-OE2 3.71Å; K732-E1531 PolarHBondContact NZ-OE2 2.72Å; R1527-E1531 WeakPolarHBondContact O-CB 3.37Å; R1527-E1531 PolarHBondContact O-N 2.9Å; E1531-R1535 WeakPolarHBondContact O-CB 3.39Å; E1531-R1535 WeakPolarHBondContact O-CG 3.06Å; E1531-R1535 PolarHBondContact O-N 3.48Å; E1531-R1535 IonicContact OE1-NE 3Å; E1531-R1535 IonicContact OE1-NH2 2.7Å; E1531-R1535 PolarHBondContact OE1-NH2 3.46Å
1532R43.4Very low41.9Very low185 Ų18598.1 Ų98.170%0.69846%0.456SS*.Hα-helixtrans-60.9-41.9170.2-86.8-175.2173.9-159.3-0.8112.3A1528 Q1530 L1536A1528-R1532 WeakPolarHBondContact O-CB 3.37Å; A1528-R1532 WeakPolarHBondContact O-CG 3.47Å; A1528-R1532 PolarHBondContact O-N 3.31Å; Q1530-R1532 VanDerWaalsContact C-N 3.33Å; Q1530-R1532 PolarHBondContact O-N 3.38Å; R1532-L1536 VanDerWaalsContact O-CB 3.29Å; R1532-L1536 WeakPolarHBondContact O-CB 3.43Å; R1532-L1536 PolarHBondContact O-N 3.07Å
1533R43.7Very low42.1Very low135 Ų13593 Ų9351%0.50944%0.439SS..Hα-helixtrans-67.7-40.6-179.3-156.3-179-160.1-163.54.8111.7E805 A1529 Q1530 L1536 I1537E805-R1533 IonicContact OE1-NH1 3.4Å; A1529-R1533 WeakPolarHBondContact O-CB 3.5Å; A1529-R1533 PolarHBondContact O-N 3.03Å; Q1530-R1533 CarbonylContact O-C 3.56Å; Q1530-R1533 WeakPolarHBondContact O-CB 3.44Å; Q1530-R1533 PolarHBondContact O-N 2.77Å; R1533-L1536 WeakPolarHBondContact O-CB 3.44Å; R1533-L1536 PolarHBondContact O-N 2.92Å; R1533-I1537 WeakPolarHBondContact O-CG1 3.49Å; R1533-I1537 PolarHBondContact O-N 2.67Å
1534K44.9Very low42.3Very low40 Ų4093 Ų9317%0.17444%0.437CS..Hα-helixtrans-66.5-49.1175.3-178.3169.3173.1175.50111.6D735 Q1530 L1536 I1537 E1538D735-K1534 IonicContact OD1-NZ 2.98Å; D735-K1534 PolarHBondContact OD1-NZ 3.3Å; Q1530-K1534 PolarHBondContact O-N 3.49Å; K1534-L1536 PolarHBondContact O-N 3.03Å; K1534-I1537 PolarHBondContact O-N 3.36Å; K1534-E1538 WeakPolarHBondContact CE-OE1 3.48Å; K1534-E1538 IonicContact NZ-OE1 2.73Å; K1534-E1538 PolarHBondContact O-N 2.82Å
1535R47.3Very low42.4Very low152 Ų15295.7 Ų95.757%0.57445%0.447SS*.Hα-helixtrans-58.6-29.9172.1-69.4-179.3-169.6-156.72.5112.1E1531 Q1539E1531-R1535 WeakPolarHBondContact O-CB 3.39Å; E1531-R1535 WeakPolarHBondContact O-CG 3.06Å; E1531-R1535 PolarHBondContact O-N 3.48Å; E1531-R1535 IonicContact OE1-NE 3Å; E1531-R1535 IonicContact OE1-NH2 2.7Å; E1531-R1535 PolarHBondContact OE1-NH2 3.46Å; R1535-Q1539 WeakPolarHBondContact O-CB 3.48Å; R1535-Q1539 WeakPolarHBondContact O-CG 3.14Å; R1535-Q1539 PolarHBondContact O-N 3.44Å
1536L43Very low42.3Very low95 Ų9589 Ų8950%0.49743%0.431SS..Hα-helixtrans-71.9-32.2172-104.5159.3000113.7R1532 R1533 K1534 M1540R1532-L1536 VanDerWaalsContact O-CB 3.29Å; R1532-L1536 WeakPolarHBondContact O-CB 3.43Å; R1532-L1536 PolarHBondContact O-N 3.07Å; R1533-L1536 WeakPolarHBondContact O-CB 3.44Å; R1533-L1536 PolarHBondContact O-N 2.92Å; K1534-L1536 PolarHBondContact O-N 3.03Å; L1536-M1540 HydrophobicContact CB-CE 4.48Å; L1536-M1540 WeakPolarHBondContact O-CB 3.44Å; L1536-M1540 WeakPolarHBondContact O-CE 3.41Å; L1536-M1540 WeakPolarHBondContact O-CG 3.24Å; L1536-M1540 PolarHBondContact O-N 3.17Å
1537I44.2Very low41.9Very low91 Ų9193.8 Ų93.847%0.46745%0.452SS..Hα-helixtrans-74.4-47.8176.3-69.6164.1000110.2R1533 K1534 Q1539 M1540 T1541R1533-I1537 WeakPolarHBondContact O-CG1 3.49Å; R1533-I1537 PolarHBondContact O-N 2.67Å; K1534-I1537 PolarHBondContact O-N 3.36Å; I1537-Q1539 PolarHBondContact O-N 3.27Å; I1537-M1540 HydrophobicContact CG1-CE 4.41Å; I1537-M1540 CarbonylContact O-C 3.46Å; I1537-M1540 WeakPolarHBondContact O-CA 3.41Å; I1537-M1540 WeakPolarHBondContact O-CB 3.38Å; I1537-M1540 PolarHBondContact O-N 3.12Å; I1537-T1541 PolarHBondContact O-N 2.95Å; I1537-T1541 PolarHBondContact O-OG1 2.89Å
1538E42.4Very low41.5Very low83 Ų8389.1 Ų89.139%0.38845%0.445SS..Hα-helixtrans-64.7-40.9176.1-69.6164.1173.600111.5K1534 M1540 T1541 S1542K1534-E1538 WeakPolarHBondContact CE-OE1 3.48Å; K1534-E1538 IonicContact NZ-OE1 2.73Å; K1534-E1538 PolarHBondContact O-N 2.82Å; E1538-M1540 VanDerWaalsContact C-N 3.28Å; E1538-M1540 PolarHBondContact O-N 3.1Å; E1538-T1541 PolarHBondContact O-N 2.79Å; E1538-S1542 WeakPolarHBondContact O-CB 3.37Å; E1538-S1542 PolarHBondContact O-N 2.76Å
1539Q40.9Very low41.2Very low94 Ų9488 Ų8844%0.43943%0.433SS..Hα-helixtrans-67.4-23.9167.7-74.5-170.312.300112.9R1535 I1537 K1543R1535-Q1539 WeakPolarHBondContact O-CB 3.48Å; R1535-Q1539 WeakPolarHBondContact O-CG 3.14Å; R1535-Q1539 PolarHBondContact O-N 3.44Å; I1537-Q1539 PolarHBondContact O-N 3.27Å; Q1539-K1543 HydrophobicContact CB-CD 4.3Å; Q1539-K1543 WeakPolarHBondContact O-CA 3.29Å; Q1539-K1543 WeakPolarHBondContact O-CB 3.5Å; Q1539-K1543 WeakPolarHBondContact O-CD 3.21Å; Q1539-K1543 WeakPolarHBondContact O-CG 3.44Å; Q1539-K1543 PolarHBondContact O-N 2.91Å
1540M37.3Very low40.9Very low97 Ų9789.4 Ų89.448%0.47844%0.437SS..Hα-helixtrans-77.2-36.1172.8-87.7-174.5-66.700111.8L1536 I1537 E1538 K1543 Q1544L1536-M1540 HydrophobicContact CB-CE 4.48Å; L1536-M1540 WeakPolarHBondContact O-CB 3.44Å; L1536-M1540 WeakPolarHBondContact O-CE 3.41Å; L1536-M1540 WeakPolarHBondContact O-CG 3.24Å; L1536-M1540 PolarHBondContact O-N 3.17Å; I1537-M1540 HydrophobicContact CG1-CE 4.41Å; I1537-M1540 CarbonylContact O-C 3.46Å; I1537-M1540 WeakPolarHBondContact O-CA 3.41Å; I1537-M1540 WeakPolarHBondContact O-CB 3.38Å; I1537-M1540 PolarHBondContact O-N 3.12Å; E1538-M1540 VanDerWaalsContact C-N 3.28Å; E1538-M1540 PolarHBondContact O-N 3.1Å; M1540-K1543 CarbonylContact O-C 3.57Å; M1540-Q1544 WeakPolarHBondContact O-CA 3.47Å; M1540-Q1544 WeakPolarHBondContact O-CB 3.19Å; M1540-Q1544 WeakPolarHBondContact O-CG 3.29Å; M1540-Q1544 PolarHBondContact O-N 2.9Å; M1540-Q1544 PolarHBondContact O-OE1 3.4Å
1541T41.2Very low40.7Very low83 Ų8392.5 Ų92.551%0.50945%0.451SS..Hα-helixtrans-67.4-45.1172.5-44.60000111.1I1537 E1538 Q1544 K1545I1537-T1541 PolarHBondContact O-N 2.95Å; I1537-T1541 PolarHBondContact O-OG1 2.89Å; E1538-T1541 PolarHBondContact O-N 2.79Å; T1541-Q1544 PolarHBondContact O-N 3.44Å; T1541-K1545 PolarHBondContact O-N 3.22Å
1542S40.3Very low40.3Very low84 Ų8491.8 Ų91.859%0.58745%0.45SS*.Hα-helixtrans-63.7-45175175.20000111.9E1538 A1546E1538-S1542 WeakPolarHBondContact O-CB 3.37Å; E1538-S1542 PolarHBondContact O-N 2.76Å; S1542-A1546 PolarHBondContact O-N 3.01Å; S1542-A1546 VanDerWaalsContact O-N 3.07Å
1543K38.5Very low40Very low90 Ų9087.8 Ų87.839%0.39144%0.437SS..Hα-helixtrans-77.3-13.4174.6-66.1167.6177.61640113.6Q1539 M1540 A1546 F1547Q1539-K1543 HydrophobicContact CB-CD 4.3Å; Q1539-K1543 WeakPolarHBondContact O-CA 3.29Å; Q1539-K1543 WeakPolarHBondContact O-CB 3.5Å; Q1539-K1543 WeakPolarHBondContact O-CD 3.21Å; Q1539-K1543 WeakPolarHBondContact O-CG 3.44Å; Q1539-K1543 PolarHBondContact O-N 2.91Å; M1540-K1543 CarbonylContact O-C 3.57Å; K1543-A1546 PolarHBondContact O-N 2.94Å; K1543-F1547 VanDerWaalsContact O-CA 3.31Å; K1543-F1547 WeakPolarHBondContact O-CA 3.34Å; K1543-F1547 WeakPolarHBondContact O-CB 3.39Å; K1543-F1547 PolarHBondContact O-N 3.42Å
1544Q40.3Very low39.7Very low67 Ų6784.9 Ų84.931%0.31343%0.432SS..Hα-helixtrans-73.7-39.8171.5-87.2165.9-4400109.2M1540 T1541 A1548M1540-Q1544 WeakPolarHBondContact O-CA 3.47Å; M1540-Q1544 WeakPolarHBondContact O-CB 3.19Å; M1540-Q1544 WeakPolarHBondContact O-CG 3.29Å; M1540-Q1544 PolarHBondContact O-N 2.9Å; M1540-Q1544 PolarHBondContact O-OE1 3.4Å; T1541-Q1544 PolarHBondContact O-N 3.44Å; Q1544-A1548 WeakPolarHBondContact O-CB 3.48Å; Q1544-A1548 PolarHBondContact O-N 3.36Å
1545K40.5Very low39.3Very low156 Ų15686.5 Ų86.568%0.67844%0.441SS*.Hα-helixtrans-61.8-46.5167.4-71.6-171.9172.8-176.20111.7T1541 S1549T1541-K1545 PolarHBondContact O-N 3.22Å; K1545-S1549 PolarHBondContact O-N 3.45Å; K1545-S1549 VanDerWaalsContact O-N 3.17Å; K1545-S1549 PolarHBondContact O-OG 2.99Å
1546A37.8Very low38.6Very low43 Ų4382.2 Ų82.236%0.35543%0.428SS..Hα-helixtrans-70-40.6179.500000113.9S1542 K1543 S1549 T1550S1542-A1546 PolarHBondContact O-N 3.01Å; S1542-A1546 VanDerWaalsContact O-N 3.07Å; K1543-A1546 PolarHBondContact O-N 2.94Å; A1546-S1549 WeakPolarHBondContact CA-OG 3.22Å; A1546-S1549 CarbonylContact O-C 3.5Å; A1546-S1549 PolarHBondContact O-N 3.42Å; A1546-S1549 VanDerWaalsContact O-N 3.14Å; A1546-S1549 PolarHBondContact O-OG 3.29Å; A1546-T1550 PolarHBondContact O-N 2.97Å; A1546-T1550 PolarHBondContact O-OG1 3.43Å; A1546-T1550 VanDerWaalsContact O-OG1 3.04Å
1547F33.1Very low38.3Very low132 Ų13280.4 Ų80.458%0.57942%0.423SS*.Hα-helixtrans-72.1-34.1179.4-176.8-98000111.2K1543 T1550 H1551K1543-F1547 VanDerWaalsContact O-CA 3.31Å; K1543-F1547 WeakPolarHBondContact O-CA 3.34Å; K1543-F1547 WeakPolarHBondContact O-CB 3.39Å; K1543-F1547 PolarHBondContact O-N 3.42Å; F1547-T1550 PolarHBondContact O-N 2.85Å; F1547-H1551 HydrophobicContact CD1-CB 4.34Å; F1547-H1551 HydrophobicContact CE1-CB 4.36Å; F1547-H1551 AromaticContact CE1-CD2 3.73Å; F1547-H1551 AromaticContact CE2-CD2 3.79Å; F1547-H1551 AromaticContact CZ-CD2 3.34Å; F1547-H1551 WeakPolarHBondContact CZ-CD2 3.32Å; F1547-H1551 WeakPolarHBondContact O-CA 3.41Å; F1547-H1551 WeakPolarHBondContact O-CB 3.46Å; F1547-H1551 PolarHBondContact O-N 2.92Å
1548A36.7Very low37.7Very low49 Ų4981 Ų8141%0.40543%0.427SS..Hα-helixtrans-56.3-52.9163.800000109.9Q1544 T1550 L1552Q1544-A1548 WeakPolarHBondContact O-CB 3.48Å; Q1544-A1548 PolarHBondContact O-N 3.36Å; A1548-T1550 VanDerWaalsContact C-N 3.3Å; A1548-T1550 PolarHBondContact O-N 3.47Å; A1548-L1552 WeakPolarHBondContact O-CB 3.47Å; A1548-L1552 VanDerWaalsContact O-CD1 3.27Å; A1548-L1552 WeakPolarHBondContact O-CD1 3.5Å; A1548-L1552 VanDerWaalsContact O-CG 3.26Å; A1548-L1552 WeakPolarHBondContact O-CG 3.4Å; A1548-L1552 PolarHBondContact O-N 3.43Å; A1548-L1552 VanDerWaalsContact O-N 3.09Å
1549S35.7Very low37.3Very low37 Ų3781.3 Ų81.326%0.25943%0.431SS..Hα-helixtrans-66.1-23-179.568.30000115.7K1545 A1546 K1553K1545-S1549 PolarHBondContact O-N 3.45Å; K1545-S1549 VanDerWaalsContact O-N 3.17Å; K1545-S1549 PolarHBondContact O-OG 2.99Å; A1546-S1549 WeakPolarHBondContact CA-OG 3.22Å; A1546-S1549 CarbonylContact O-C 3.5Å; A1546-S1549 PolarHBondContact O-N 3.42Å; A1546-S1549 VanDerWaalsContact O-N 3.14Å; A1546-S1549 PolarHBondContact O-OG 3.29Å; S1549-K1553 WeakPolarHBondContact O-CD 3.49Å; S1549-K1553 WeakPolarHBondContact O-CG 3.46Å
1550T38.4Very low36.8Very low75 Ų7587.2 Ų87.246%0.4645%0.449SS..Hα-helixtrans-90.6-51.9176.4-540000111.5A1546 F1547 A1548 L1552 K1553 D1554A1546-T1550 PolarHBondContact O-N 2.97Å; A1546-T1550 PolarHBondContact O-OG1 3.43Å; A1546-T1550 VanDerWaalsContact O-OG1 3.04Å; F1547-T1550 PolarHBondContact O-N 2.85Å; A1548-T1550 VanDerWaalsContact C-N 3.3Å; A1548-T1550 PolarHBondContact O-N 3.47Å; T1550-L1552 PolarHBondContact O-N 2.93Å; T1550-L1552 VanDerWaalsContact O-N 3.15Å; T1550-K1553 WeakPolarHBondContact O-CA 3.48Å; T1550-K1553 WeakPolarHBondContact O-CB 3.48Å; T1550-K1553 PolarHBondContact O-N 3.03Å; T1550-D1554 PolarHBondContact O-N 3.06Å
1551H38.7Very low36.5Very low85 Ų8589.7 Ų89.739%0.39446%0.46SS..Hα-helixtrans-66.6-20.5-177.2-154.8-58.3000112.4F1547 I1555F1547-H1551 HydrophobicContact CD1-CB 4.34Å; F1547-H1551 HydrophobicContact CE1-CB 4.36Å; F1547-H1551 AromaticContact CE1-CD2 3.73Å; F1547-H1551 AromaticContact CE2-CD2 3.79Å; F1547-H1551 AromaticContact CZ-CD2 3.34Å; F1547-H1551 WeakPolarHBondContact CZ-CD2 3.32Å; F1547-H1551 WeakPolarHBondContact O-CA 3.41Å; F1547-H1551 WeakPolarHBondContact O-CB 3.46Å; F1547-H1551 PolarHBondContact O-N 2.92Å; H1551-I1555 WeakPolarHBondContact O-CB 3.46Å; H1551-I1555 WeakPolarHBondContact O-CD1 3.39Å; H1551-I1555 WeakPolarHBondContact O-CG1 3.29Å; H1551-I1555 PolarHBondContact O-N 3.36Å
1552L37.7Very low35.9Very low55 Ų5590.3 Ų90.329%0.28846%0.464SS..Hα-helixtrans-75.7-31.5168-75.6164.1000113.3P352 A1548 T1550 I1555 E1556P352-L1552 HydrophobicContact CB-CD1 3.66Å; P352-L1552 HydrophobicContact CG-CD1 3.53Å; P352-L1552 HydrophobicContact CG-CD2 3.91Å; P352-L1552 HydrophobicContact CG-CG 4.24Å; A1548-L1552 WeakPolarHBondContact O-CB 3.47Å; A1548-L1552 VanDerWaalsContact O-CD1 3.27Å; A1548-L1552 WeakPolarHBondContact O-CD1 3.5Å; A1548-L1552 VanDerWaalsContact O-CG 3.26Å; A1548-L1552 WeakPolarHBondContact O-CG 3.4Å; A1548-L1552 PolarHBondContact O-N 3.43Å; A1548-L1552 VanDerWaalsContact O-N 3.09Å; T1550-L1552 PolarHBondContact O-N 2.93Å; T1550-L1552 VanDerWaalsContact O-N 3.15Å; L1552-I1555 PolarHBondContact O-N 3.34Å; L1552-E1556 WeakPolarHBondContact O-CG 3.27Å; L1552-E1556 PolarHBondContact O-N 2.82Å
1553K36.9Very low35.4Very low101 Ų10192 Ų9244%0.43947%0.47SS..Hα-helixtrans-70-36.2170.1-69.3171.7-178.7170.10111E353 S1549 T1550 E1556 S1557E353-K1553 IonicContact OE1-NZ 2.69Å; E353-K1553 WeakPolarHBondContact OE2-CE 3.31Å; E353-K1553 IonicContact OE2-NZ 3.55Å; E353-K1553 PolarHBondContact OE2-NZ 2.85Å; S1549-K1553 WeakPolarHBondContact O-CD 3.49Å; S1549-K1553 WeakPolarHBondContact O-CG 3.46Å; T1550-K1553 WeakPolarHBondContact O-CA 3.48Å; T1550-K1553 WeakPolarHBondContact O-CB 3.48Å; T1550-K1553 PolarHBondContact O-N 3.03Å; K1553-E1556 PolarHBondContact O-N 3.14Å; K1553-S1557 PolarHBondContact O-N 3.39Å
1554D38.6Very low34.9Very low74 Ų7495 Ų9540%0.39649%0.491SS..Hα-helixtrans-66.5-39.1172.7-57.2-37.9000110.9T1550 S1557 L1558T1550-D1554 PolarHBondContact O-N 3.06Å; D1554-S1557 PolarHBondContact O-N 2.82Å; D1554-S1557 PolarHBondContact O-OG 2.82Å; D1554-L1558 WeakPolarHBondContact O-CD1 3.37Å; D1554-L1558 PolarHBondContact O-N 2.82Å
1555I36.4Very low34.3Very low73 Ų73102.7 Ų102.737%0.37452%0.517SS..Hα-helixtrans-69.1-34.2173.2-73.7166.9000112.6H1551 L1552 S1557 N1559H1551-I1555 WeakPolarHBondContact O-CB 3.46Å; H1551-I1555 WeakPolarHBondContact O-CD1 3.39Å; H1551-I1555 WeakPolarHBondContact O-CG1 3.29Å; H1551-I1555 PolarHBondContact O-N 3.36Å; L1552-I1555 PolarHBondContact O-N 3.34Å; I1555-S1557 VanDerWaalsContact C-N 3.34Å; I1555-N1559 WeakPolarHBondContact CG2-ND2 3.37Å; I1555-N1559 WeakPolarHBondContact O-CB 3.27Å; I1555-N1559 PolarHBondContact O-N 2.58Å; I1555-N1559 PolarHBondContact O-ND2 3.4Å
1556E32Very low33.5Very low62 Ų62105.3 Ų105.329%0.2953%0.528SS..Hα-helixtrans-66.9-34.5169.8-77.8-173.6117.500111.9S351 L1552 K1553 R1560S351-E1556 VanDerWaalsContact CB-CD 3.5Å; S351-E1556 VanDerWaalsContact CB-OE1 3.32Å; S351-E1556 WeakPolarHBondContact CB-OE1 3.44Å; S351-E1556 WeakPolarHBondContact CB-OE2 3.41Å; L1552-E1556 WeakPolarHBondContact O-CG 3.27Å; L1552-E1556 PolarHBondContact O-N 2.82Å; K1553-E1556 PolarHBondContact O-N 3.14Å; E1556-R1560 WeakPolarHBondContact O-CG 3.16Å; E1556-R1560 PolarHBondContact O-N 3.18Å
1557S36.1Very low33Very low57 Ų57112 Ų11240%0.39955%0.552SS.*Hα-helixtrans-68.9-42.6175.482.50000112.4K1553 D1554 I1555K1553-S1557 PolarHBondContact O-N 3.39Å; D1554-S1557 PolarHBondContact O-N 2.82Å; D1554-S1557 PolarHBondContact O-OG 2.82Å; I1555-S1557 VanDerWaalsContact C-N 3.34Å
1558L33.1Very low32.8Very low103 Ų103114.9 Ų114.954%0.53957%0.567SS.*Hα-helixtrans-65.1-47.3174.5-96.171.7000111.7D1554 R1560 Q1561 T1562D1554-L1558 WeakPolarHBondContact O-CD1 3.37Å; D1554-L1558 PolarHBondContact O-N 2.82Å; L1558-R1560 PolarHBondContact O-N 2.92Å; L1558-Q1561 PolarHBondContact O-N 3.27Å; L1558-T1562 WeakPolarHBondContact O-CG2 3.22Å; L1558-T1562 PolarHBondContact O-N 2.83Å; L1558-T1562 PolarHBondContact O-OG1 3.04Å
1559N32.1Very low32.2Very low91 Ų91120.4 Ų120.449%0.48759%0.589SS.*Hα-helixtrans-65.9-20.1-177.6-82.8-79.5000114I1555 Q1561I1555-N1559 WeakPolarHBondContact CG2-ND2 3.37Å; I1555-N1559 WeakPolarHBondContact O-CB 3.27Å; I1555-N1559 PolarHBondContact O-N 2.58Å; I1555-N1559 PolarHBondContact O-ND2 3.4Å; N1559-Q1561 VanDerWaalsContact C-N 3.34Å
1560R32Very low31.8Very low217 Ų217125.7 Ų125.782%0.81962%0.615SS**THydrogen-bonded Turntrans-83.6-5.1170.3-71.4-174.9-174.7-133.72.8114E1556 L1558E1556-R1560 WeakPolarHBondContact O-CG 3.16Å; E1556-R1560 PolarHBondContact O-N 3.18Å; L1558-R1560 PolarHBondContact O-N 2.92Å
1561Q30.6Very low31.4Very low150 Ų150129.9 Ų129.970%0.70163%0.634SS**THydrogen-bonded Turntrans-114.2-17.4177.1-65.7-173.1-0.600113.6L1558 N1559 V1563L1558-Q1561 PolarHBondContact O-N 3.27Å; N1559-Q1561 VanDerWaalsContact C-N 3.34Å; Q1561-V1563 PolarHBondContact O-N 3.39Å; Q1561-V1563 VanDerWaalsContact O-N 3.12Å
1562T28.2Very low31Very low96 Ų96130.8 Ų130.859%0.58965%0.65SS**THydrogen-bonded Turntrans-82.930.3-179.2530000114.9L1558L1558-T1562 WeakPolarHBondContact O-CG2 3.22Å; L1558-T1562 PolarHBondContact O-N 2.83Å; L1558-T1562 PolarHBondContact O-OG1 3.04Å
1563V29.9Very low31Very low119 Ų119132 Ų13272%0.72165%0.654SS**THydrogen-bonded Turntrans-107.5-32.4174.2-179.70000111.9Q1561Q1561-V1563 PolarHBondContact O-N 3.39Å; Q1561-V1563 VanDerWaalsContact O-N 3.12Å
1564D28.2Very low31.3Very low153 Ų153131.8 Ų131.882%0.81866%0.663SS**SBendtrans-102.413.1-173.9-68.6-46.9000115.3
1565R26.9Very low31.9Very low229 Ų229132.9 Ų132.986%0.86467%0.669SS**  trans-138.186.2-180-71.8-169.5175.1177.5-0.7113.5
1566K24.5Very low33Very low210 Ų210133 Ų13391%0.91367%0.665SS**  trans-140.850.7170.6-107.5-167.9179.2-1760113.2
1567E27.1Very low35Very low185 Ų185134.6 Ų134.686%0.86467%0.672SS**  trans-149.3160.8167.8-120.1168.6-138.700111
1568Q27.9Very low37.2Very low191 Ų191131.9 Ų131.989%0.89365%0.653SS**  trans6190.3-174.6-57.4-1721.900115.6
1569L26.1Very low39.2Very low165 Ų165128.2 Ų128.286%0.86464%0.635SS**  trans-134.165.2168.8-146.5174.3000110.7
1570D27.5Very low41.4Very low149 Ų149126.6 Ų126.680%0.79763%0.626SS**SBendtrans-153.2147.8163.2-119.2-33.2000110.1
1571N28.1Very low43.8Very low163 Ų163118.6 Ų118.687%0.87260%0.603SS**  trans60.985.2-171.5-54.5-69.7000115.9
1572S31.4Very low45.9Very low103 Ų103118 Ų11872%0.7260%0.6SS**  trans-132.9147.716555.50000113.3
1573E37.8Very low48Very low80 Ų80118.2 Ų118.237%0.37460%0.597SS.*  trans-80.7158.6170.9-68.7174.8160.200109.6L1575 R1586 K1800E1573-L1575 PolarHBondContact O-N 3.3Å; E1573-R1586 IonicContact OE2-CZ 2.6Å; E1573-R1586 IonicContact OE2-NH1 2.67Å; E1573-R1586 PolarHBondContact OE2-NH1 3.35Å; E1573-K1800 WeakPolarHBondContact OE1-CE 3.21Å; E1573-K1800 IonicContact OE1-NZ 2.63Å; E1573-K1800 PolarHBondContact OE1-NZ 3.49Å
1574P42.4Very low49.6Very low98 Ų98115.8 Ų115.864%0.63659%0.585SS**  trans-61.3100.9179.124.9-34.5000110.9Y1576P1574-Y1576 HydrophobicContact CB-CE2 4.44Å; P1574-Y1576 WeakPolarHBondContact O-CD2 3.33Å; P1574-Y1576 WeakPolarHBondContact O-CE2 3.49Å
1575L50.7Low50.8Low97 Ų97108.6 Ų108.651%0.50855%0.547SS..PPolyproline II helixtrans-71.1125.9169.7-75.8163.5000108.4E1573 R1586E1573-L1575 PolarHBondContact O-N 3.3Å; L1575-R1586 HydrophobicContact CD2-CG 4.11Å
1576Y60.9Low52.1Low74 Ų74103.8 Ų103.829%0.2953%0.529SS..EExtended strand (participates in β ladder)trans-96.3142.7173.1-65.2-86.8000108.8P1574 S1584 G1585 P1587 M1592 V1754 L1795P1574-Y1576 HydrophobicContact CB-CE2 4.44Å; P1574-Y1576 WeakPolarHBondContact O-CD2 3.33Å; P1574-Y1576 WeakPolarHBondContact O-CE2 3.49Å; Y1576-S1584 CarbonylContact O-C 3.59Å; Y1576-S1584 WeakPolarHBondContact O-CA 3.39Å; Y1576-G1585 PolarHBondContact N-O 3.15Å; Y1576-G1585 PolarHBondContact O-N 3.17Å; Y1576-P1587 HydrophobicContact CD2-CG 3.83Å; Y1576-P1587 HydrophobicContact CE2-CG 3.95Å; Y1576-M1592 WeakPolarHBondContact O-CE 3.17Å; Y1576-V1754 HydrophobicContact CD1-CG2 3.85Å; Y1576-V1754 HydrophobicContact CG-CG2 4.42Å; Y1576-L1795 HydrophobicContact CD1-CD1 3.98Å; Y1576-L1795 HydrophobicContact CD2-CD1 3.99Å; Y1576-L1795 HydrophobicContact CE1-CD1 4.19Å; Y1576-L1795 HydrophobicContact CE2-CD1 4.21Å; Y1576-L1795 HydrophobicContact CG-CD1 3.87Å
1577E72.5Confident53.2Low96 Ų9695 Ų9545%0.44949%0.493SS..EExtended strand (participates in β ladder)trans-103.2129-179.1-165.2-171.8154.800110.5V1579 Q1582E1577-V1579 PolarHBondContact O-N 2.94Å; E1577-Q1582 WeakPolarHBondContact OE1-CB 3.49Å; E1577-Q1582 WeakPolarHBondContact OE1-CG 3.48Å
1578C82.9Confident54.1Low0 Ų090.8 Ų90.80%048%0.484CS..BIsolated β-bridgetrans-76.9109.7178.8171.60000110.7I1580 C1581 Q1582 I1583 M1592 V1754 H1756C1578-I1580 PolarHBondContact O-N 3.12Å; C1578-C1581 PolarHBondContact O-N 2.77Å; C1578-Q1582 WeakPolarHBondContact O-CA 3.37Å; C1578-Q1582 PolarHBondContact O-N 3.18Å; C1578-I1583 PolarHBondContact N-O 3.34Å; C1578-I1583 VanDerWaalsContact N-O 3.09Å; C1578-M1592 HydrophobicContact CB-CE 4.12Å; C1578-M1592 HydrophobicContact CB-SD 4.37Å; C1578-V1754 WeakPolarHBondContact CA-O 3.46Å; C1578-H1756 VanDerWaalsContact CB-CE1 3.45Å; C1578-H1756 WeakPolarHBondContact CB-CE1 3.29Å; C1578-H1756 WeakPolarHBondContact CB-ND1 3.47Å; C1578-H1756 PolarHBondContact SG-N 2.97Å
1579V75.7Confident55Low27 Ų2786.8 Ų86.816%0.16447%0.473CS..THydrogen-bonded Turntrans-69.513.8-176.3-55.60000115.7E1577 L1595 H1753 V1754 V1755 P1783 L1784E1577-V1579 PolarHBondContact O-N 2.94Å; V1579-L1595 HydrophobicContact CG2-CD1 4.36Å; V1579-H1753 HydrophobicContact CG1-CB 4.05Å; V1579-H1753 HydrophobicContact CG2-CB 3.89Å; V1579-V1754 WeakPolarHBondContact CG2-O 3.47Å; V1579-V1754 PolarHBondContact N-O 3.34Å; V1579-V1755 HydrophobicContact CG2-CG1 3.45Å; V1579-V1755 VanDerWaalsContact CG2-CG1 3.45Å; V1579-P1783 HydrophobicContact CG2-CG 3.99Å; V1579-L1784 HydrophobicContact CB-CB 4.31Å; V1579-L1784 HydrophobicContact CB-CD1 4.37Å; V1579-L1784 HydrophobicContact CB-CD2 4.49Å; V1579-L1784 HydrophobicContact CG1-CD2 4.18Å; V1579-L1784 HydrophobicContact CG2-CB 4.41Å
1580I78.1Confident56.2Low56 Ų5681.9 Ų81.929%0.28745%0.447SS..THydrogen-bonded Turntrans-112.7-30172.9-67.6166.6000111.6C1578 V1755 C1759 F1760 Y1763 P1783C1578-I1580 PolarHBondContact O-N 3.12Å; I1580-V1755 HydrophobicContact CB-CG1 4.45Å; I1580-V1755 HydrophobicContact CD1-CB 3.93Å; I1580-V1755 HydrophobicContact CD1-CG1 3.5Å; I1580-V1755 HydrophobicContact CG1-CG1 3.69Å; I1580-C1759 HydrophobicContact CB-CB 3.98Å; I1580-C1759 HydrophobicContact CD1-CB 4.24Å; I1580-C1759 WeakPolarHBondContact CD1-O 3.33Å; I1580-C1759 HydrophobicContact CG2-CB 3.85Å; I1580-F1760 HydrophobicContact CD1-CB 4.33Å; I1580-F1760 HydrophobicContact CD1-CD2 4.34Å; I1580-Y1763 HydrophobicContact CD1-CG 4.11Å; I1580-P1783 HydrophobicContact CD1-CG 4.21Å; I1580-P1783 HydrophobicContact CG1-CB 4.26Å; I1580-P1783 HydrophobicContact CG1-CG 3.68Å
1581C82Confident57.9Low49 Ų4978.8 Ų78.833%0.33143%0.431SS..THydrogen-bonded Turntrans-130.6-0.8-17673.30000114.9C1578 I1583 H1756C1578-C1581 PolarHBondContact O-N 2.77Å; C1581-I1583 PolarHBondContact O-N 3.27Å; C1581-I1583 VanDerWaalsContact O-N 3.1Å; C1581-H1756 PolarHBondContact SG-ND1 3.32Å; C1581-H1756 VanDerWaalsContact SG-ND1 3.42Å
1582Q74.6Confident59.7Low137 Ų13771.2 Ų71.264%0.6439%0.39SS*.  trans5034.6179.4-62.3-171.8-800114.3E1577 C1578E1577-Q1582 WeakPolarHBondContact OE1-CB 3.49Å; E1577-Q1582 WeakPolarHBondContact OE1-CG 3.48Å; C1578-Q1582 WeakPolarHBondContact O-CA 3.37Å; C1578-Q1582 PolarHBondContact O-N 3.18Å
1583I72.8Confident61.6Low102 Ų10266.5 Ų66.552%0.52336%0.357SS..  trans-100.8130.5169.2-65.6170.3000107.5C1578 C1581C1578-I1583 PolarHBondContact N-O 3.34Å; C1578-I1583 VanDerWaalsContact N-O 3.09Å; C1581-I1583 PolarHBondContact O-N 3.27Å; C1581-I1583 VanDerWaalsContact O-N 3.1Å
1584S63.4Low62.9Low68 Ų6863 Ų6348%0.47634%0.341SS..EExtended strand (participates in β ladder)trans-85.8111.6177.7-45.80000110.2Y1576Y1576-S1584 CarbonylContact O-C 3.59Å; Y1576-S1584 WeakPolarHBondContact O-CA 3.39Å
1585G54.3Low64Low2 Ų258.4 Ų58.42%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-116.2160.5-173.200000113.6Y1576 D1590Y1576-G1585 PolarHBondContact N-O 3.15Å; Y1576-G1585 PolarHBondContact O-N 3.17Å; G1585-D1590 WeakPolarHBondContact CA-OD2 3.48Å
1586R53.5Low64.1Low127 Ų12754 Ų5448%0.47929%0.288SS..  trans-94.2140.7169.7-67.4-161.2-163-17214.2109.4E1573 L1575 S1588 V1589 D1590E1573-R1586 IonicContact OE2-CZ 2.6Å; E1573-R1586 IonicContact OE2-NH1 2.67Å; E1573-R1586 PolarHBondContact OE2-NH1 3.35Å; L1575-R1586 HydrophobicContact CD2-CG 4.11Å; R1586-S1588 PolarHBondContact O-N 3.34Å; R1586-V1589 HydrophobicContact CB-CG2 4.27Å; R1586-V1589 PolarHBondContact O-N 3.33Å; R1586-D1590 PolarHBondContact N-OD2 3.46Å; R1586-D1590 VanDerWaalsContact N-OD2 3.15Å; R1586-D1590 PolarHBondContact O-N 2.88Å
1587P47.3Very low63.4Low25 Ų2552.4 Ų52.416%0.16228%0.283CS..THydrogen-bonded Turntrans-59.1-27-170.3-24.833000115.6Y1576 L1795 P1797Y1576-P1587 HydrophobicContact CD2-CG 3.83Å; Y1576-P1587 HydrophobicContact CE2-CG 3.95Å; P1587-L1795 HydrophobicContact CB-CB 3.95Å; P1587-L1795 VanDerWaalsContact CB-O 3.32Å; P1587-L1795 WeakPolarHBondContact CB-O 3.41Å; P1587-L1795 HydrophobicContact CG-CB 4.33Å; P1587-P1797 HydrophobicContact CB-CG 4.22Å
1588S45.6Very low61.8Low98 Ų9849.7 Ų49.769%0.68527%0.272SS*.THydrogen-bonded Turntrans-89.62.8179.763.30000115.3R1586R1586-S1588 PolarHBondContact O-N 3.34Å
1589V47.3Very low59.6Low107 Ų10751 Ų5165%0.64828%0.28SS*.THydrogen-bonded Turntrans-118-42.8-175.5-175.70000111.4R1586R1586-V1589 HydrophobicContact CB-CG2 4.27Å; R1586-V1589 PolarHBondContact O-N 3.33Å
1590D51.3Low57.3Low61 Ų6158 Ų5833%0.32631%0.311SS..THydrogen-bonded Turntrans-110.219.6-168.5-49.5-72.7000114.1G1585 R1586 M1592 H1756G1585-D1590 WeakPolarHBondContact CA-OD2 3.48Å; R1586-D1590 PolarHBondContact N-OD2 3.46Å; R1586-D1590 VanDerWaalsContact N-OD2 3.15Å; R1586-D1590 PolarHBondContact O-N 2.88Å; D1590-M1592 PolarHBondContact O-N 2.93Å; D1590-H1756 WeakPolarHBondContact CB-CD2 3.44Å; D1590-H1756 WeakPolarHBondContact CB-NE2 3.31Å; D1590-H1756 WeakPolarHBondContact O-CB 3.48Å; D1590-H1756 PolarHBondContact O-CD2 2.82Å
1591D62.7Low55.1Low84 Ų8456.9 Ų56.945%0.44931%0.308SS..THydrogen-bonded Turntrans49.450.4179.2-154.122.6000112.6R1757D1591-R1757 HydrophobicContact CB-CB 4.24Å; D1591-R1757 WeakPolarHBondContact O-CB 3.46Å; D1591-R1757 PolarHBondContact O-N 3.04Å; D1591-R1757 IonicContact OD1-NH1 2.66Å; D1591-R1757 WeakPolarHBondContact OD2-CD 3.43Å; D1591-R1757 IonicContact OD2-CZ 3.81Å; D1591-R1757 IonicContact OD2-NE 2.85Å; D1591-R1757 IonicContact OD2-NH1 3.48Å; D1591-R1757 PolarHBondContact OD2-NH1 3.12Å
1592M67.2Low52.7Low4 Ų460.5 Ų60.52%0.0232%0.324CS..EExtended strand (participates in β ladder)trans-72.5129.6-174.5-79.6-75.4-152.900113.4Y1576 C1578 D1590 V1754 H1756 L1795Y1576-M1592 WeakPolarHBondContact O-CE 3.17Å; C1578-M1592 HydrophobicContact CB-CE 4.12Å; C1578-M1592 HydrophobicContact CB-SD 4.37Å; D1590-M1592 PolarHBondContact O-N 2.93Å; M1592-V1754 HydrophobicContact CB-CG1 4.02Å; M1592-V1754 HydrophobicContact CG-CG1 4.29Å; M1592-V1754 HydrophobicContact SD-CB 4.47Å; M1592-V1754 HydrophobicContact SD-CG1 3.55Å; M1592-V1754 VanDerWaalsContact SD-CG1 3.55Å; M1592-H1756 VanDerWaalsContact CE-NE2 3.29Å; M1592-H1756 WeakPolarHBondContact CE-NE2 3.42Å; M1592-H1756 PolarHBondContact SD-CD2 2.81Å; M1592-L1795 HydrophobicContact CB-CD1 4.31Å; M1592-L1795 PolarHBondContact O-N 3.5Å; M1592-L1795 VanDerWaalsContact O-N 3.14Å
1593V70.4Confident50.6Low5 Ų559.1 Ų59.13%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-124.6137.3175.3-63.40000111.9V1754 V1755 R1757 L1792 L1793V1593-V1754 WeakPolarHBondContact O-CA 3.27Å; V1593-V1755 HydrophobicContact CG2-CG2 3.81Å; V1593-V1755 WeakPolarHBondContact CG2-O 3.28Å; V1593-V1755 PolarHBondContact N-O 3.24Å; V1593-V1755 PolarHBondContact O-N 3.37Å; V1593-R1757 HydrophobicContact CG1-CB 4.09Å; V1593-R1757 HydrophobicContact CG1-CG 4.19Å; V1593-R1757 HydrophobicContact CG2-CB 4.17Å; V1593-R1757 HydrophobicContact CG2-CG 4.5Å; V1593-L1792 HydrophobicContact CB-CB 4.23Å; V1593-L1792 HydrophobicContact CG2-CB 4.36Å; V1593-L1792 HydrophobicContact CG2-CD1 4.35Å; V1593-L1792 HydrophobicContact CG2-CD2 3.97Å; V1593-L1792 HydrophobicContact CG2-CG 4.46Å; V1593-L1793 CarbonylContact C-O 3.59Å; V1593-L1793 WeakPolarHBondContact CA-O 3.39Å
1594L65.8Low48.4Very low7 Ų759 Ų594%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-85.1139.5173.4-176.175.4000110W1726 T1750 V1754 L1793 L1795L1594-W1726 HydrophobicContact CD2-CE3 4.46Å; L1594-W1726 HydrophobicContact CD2-CH2 4.14Å; L1594-W1726 HydrophobicContact CD2-CZ3 3.67Å; L1594-T1750 HydrophobicContact CD2-CG2 3.87Å; L1594-V1754 HydrophobicContact CD1-CG2 3.95Å; L1594-L1793 HydrophobicContact CB-CB 4.2Å; L1594-L1793 HydrophobicContact CD2-CD1 4.45Å; L1594-L1793 PolarHBondContact N-O 2.95Å; L1594-L1793 PolarHBondContact O-N 3.08Å; L1594-L1795 HydrophobicContact CB-CD2 4.19Å; L1594-L1795 HydrophobicContact CB-CG 4.4Å
1595L65Low46.8Very low1 Ų160.1 Ų60.11%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-92.6113.9-171.5-63.7176.1000112V1579 C1751 H1753 V1755 F1760 I1789 L1792V1579-L1595 HydrophobicContact CG2-CD1 4.36Å; L1595-C1751 VanDerWaalsContact CB-SG 3.54Å; L1595-C1751 PolarHBondContact O-N 3.48Å; L1595-C1751 PolarHBondContact O-SG 3.26Å; L1595-H1753 WeakPolarHBondContact CB-O 3.24Å; L1595-H1753 HydrophobicContact CD1-CB 4.26Å; L1595-H1753 WeakPolarHBondContact CG-O 3.3Å; L1595-H1753 PolarHBondContact N-O 3.04Å; L1595-V1755 HydrophobicContact CD1-CG1 3.88Å; L1595-V1755 HydrophobicContact CD1-CG2 4.08Å; L1595-V1755 HydrophobicContact CD2-CG2 3.55Å; L1595-V1755 HydrophobicContact CG-CG2 3.9Å; L1595-F1760 HydrophobicContact CD2-CD2 3.73Å; L1595-F1760 HydrophobicContact CD2-CE2 3.72Å; L1595-F1760 HydrophobicContact CD2-CG 4.4Å; L1595-F1760 HydrophobicContact CD2-CZ 4.37Å; L1595-I1789 HydrophobicContact CB-CD1 4.05Å; L1595-I1789 HydrophobicContact CB-CG1 4.17Å; L1595-I1789 HydrophobicContact CD1-CD1 3.98Å; L1595-I1789 HydrophobicContact CD2-CD1 3.8Å; L1595-I1789 HydrophobicContact CD2-CG2 4.43Å; L1595-I1789 HydrophobicContact CG-CD1 4.15Å; L1595-L1792 HydrophobicContact CD2-CD2 3.45Å; L1595-L1792 VanDerWaalsContact CD2-CD2 3.45Å
1596D52.4Low45.7Very low5 Ų566.4 Ų66.43%0.02735%0.348CS..EExtended strand (participates in β ladder)trans-116.9149.3-169-16422.3000115.3L1748 Q1749 T1750 I1789 H1790 H1791 L1793D1596-L1748 VanDerWaalsContact OD2-CD2 3.25Å; D1596-L1748 WeakPolarHBondContact OD2-CD2 3.47Å; D1596-Q1749 VanDerWaalsContact OD1-C 3.28Å; D1596-T1750 HydrophobicContact CB-CG2 4.46Å; D1596-T1750 VanDerWaalsContact OD1-CA 3.24Å; D1596-T1750 WeakPolarHBondContact OD1-CA 3.45Å; D1596-T1750 PolarHBondContact OD1-N 3.44Å; D1596-I1789 CarbonylContact O-C 3.56Å; D1596-I1789 WeakPolarHBondContact O-CA 3.48Å; D1596-I1789 WeakPolarHBondContact O-CG2 3.49Å; D1596-H1790 PolarHBondContact O-N 3.32Å; D1596-H1791 PolarHBondContact N-O 2.84Å; D1596-H1791 VanDerWaalsContact N-O 3.13Å; D1596-H1791 PolarHBondContact O-N 2.73Å; D1596-L1793 HydrophobicContact CB-CD1 3.92Å; D1596-L1793 HydrophobicContact CB-CG 4.14Å
1597M46.5Very low44.4Very low39 Ų3965.4 Ų65.419%0.19235%0.352CS..  trans-134125.3-170.5167.5168149.600110.8C1599 Q1749 R1787 D1788M1597-C1599 WeakPolarHBondContact CE-SG 3.42Å; M1597-Q1749 PolarHBondContact O-N 3.3Å; M1597-R1787 HydrophobicContact SD-CB 3.77Å; M1597-R1787 HydrophobicContact SD-CG 4.33Å; M1597-D1788 VanDerWaalsContact CB-O 3.26Å; M1597-D1788 WeakPolarHBondContact CB-O 3.41Å; M1597-D1788 WeakPolarHBondContact CG-O 3.23Å
1598I39.4Very low43.6Very low40 Ų4073 Ų7321%0.20538%0.377CS..EExtended strand (participates in β ladder)trans-87.3124.2174.7-67.9178.7000108.6I1746 L1748 H1790 H1791 L1870I1598-I1746 HydrophobicContact CG2-CG2 3.75Å; I1598-L1748 HydrophobicContact CD1-CD2 4.27Å; I1598-L1748 HydrophobicContact CG1-CD2 3.57Å; I1598-L1748 HydrophobicContact CG1-CG 4.28Å; I1598-H1790 HydrophobicContact CB-CB 4.24Å; I1598-H1790 HydrophobicContact CD1-CB 4.42Å; I1598-H1790 HydrophobicContact CG1-CB 4.15Å; I1598-H1790 PolarHBondContact N-ND1 3.1Å; I1598-H1790 PolarHBondContact O-CE1 3.43Å; I1598-H1791 VanDerWaalsContact CD1-CD2 3.49Å; I1598-H1791 WeakPolarHBondContact CD1-CD2 3.38Å; I1598-L1870 HydrophobicContact CD1-CD2 3.87Å
1599C36.3Very low42.7Very low26 Ų2676.3 Ų76.318%0.17638%0.382CS..EExtended strand (participates in β ladder)trans-110.8137171.5-65.10000111M1597 L1747M1597-C1599 WeakPolarHBondContact CE-SG 3.42Å; C1599-L1747 HydrophobicContact CB-CB 4.45Å; C1599-L1747 WeakPolarHBondContact CB-O 3.34Å; C1599-L1747 PolarHBondContact N-O 3.47Å; C1599-L1747 PolarHBondContact O-N 2.97Å
1600E27.5Very low41.7Very low175 Ų17576 Ų7682%0.81838%0.381SS*.EExtended strand (participates in β ladder)trans-62.3139.1154.5-71.8-170.2122.100109.4N1602E1600-N1602 PolarHBondContact O-N 3.25Å
1601S31.2Very low40.4Very low32 Ų3278.3 Ų78.322%0.22441%0.408CS..  trans-70.9129.9174.960.70000111.4L1603 M1604 G1745S1601-L1603 PolarHBondContact O-N 3.04Å; S1601-M1604 PolarHBondContact O-N 2.95Å; S1601-M1604 VanDerWaalsContact O-N 3.14Å; S1601-G1745 VanDerWaalsContact CB-O 3.27Å; S1601-G1745 WeakPolarHBondContact CB-O 3.46Å; S1601-G1745 PolarHBondContact N-O 3.03Å; S1601-G1745 PolarHBondContact OG-O 3.19Å
1602N31.2Very low38.6Very low125 Ų12580.1 Ų80.167%0.66842%0.422SS*.THydrogen-bonded Turntrans-55.5-15.7177.7-80.5-52.1000114.3E1600 M1604 L1605 Q1606E1600-N1602 PolarHBondContact O-N 3.25Å; N1602-M1604 PolarHBondContact O-N 2.98Å; N1602-L1605 PolarHBondContact O-N 3.37Å; N1602-L1605 VanDerWaalsContact O-N 3.17Å; N1602-Q1606 PolarHBondContact O-N 2.88Å
1603L30.6Very low36.5Very low109 Ų10986.9 Ų86.957%0.57146%0.457SS*.Hα-helixtrans-58.1-33.8176.1-155.472.6000112.5S1601 Q1606 L1607S1601-L1603 PolarHBondContact O-N 3.04Å; L1603-Q1606 PolarHBondContact O-N 3.41Å; L1603-L1607 HydrophobicContact CG-CD1 4.15Å; L1603-L1607 WeakPolarHBondContact O-CB 3.26Å; L1603-L1607 WeakPolarHBondContact O-CG 3.43Å; L1603-L1607 PolarHBondContact O-N 3.06Å
1604M28Very low34.3Very low100 Ų10091.8 Ų91.849%0.49349%0.489SS..Hα-helixtrans-74.5-21.7178.2-83.8-71.1105.300114.4S1601 N1602 L1607S1601-M1604 PolarHBondContact O-N 2.95Å; S1601-M1604 VanDerWaalsContact O-N 3.14Å; N1602-M1604 PolarHBondContact O-N 2.98Å; M1604-L1607 HydrophobicContact CE-CB 4.22Å; M1604-L1607 HydrophobicContact CE-CD1 3.63Å
1605L30Very low32.3Very low90 Ų9097.5 Ų97.547%0.47152%0.524SS..Hα-helixtrans-76.9-43.8169.9-88161.9000110.9N1602 L1607 R1608N1602-L1605 PolarHBondContact O-N 3.37Å; N1602-L1605 VanDerWaalsContact O-N 3.17Å; L1605-L1607 VanDerWaalsContact C-N 3.32Å; L1605-L1607 PolarHBondContact O-N 3.29Å; L1605-R1608 PolarHBondContact O-N 2.97Å
1606Q29.4Very low30.3Very low134 Ų134105.8 Ų105.863%0.62657%0.568SS**Hα-helixtrans-63.7-36.8178.1-67.5-176.2-52.800112.4N1602 L1603 R1608 E1609 T1610N1602-Q1606 PolarHBondContact O-N 2.88Å; L1603-Q1606 PolarHBondContact O-N 3.41Å; Q1606-R1608 PolarHBondContact O-N 3.38Å; Q1606-E1609 PolarHBondContact O-N 3.01Å; Q1606-T1610 PolarHBondContact O-OG1 2.75Å
1607L28Very low28.9Very low107 Ų107116.7 Ų116.756%0.5661%0.61SS**Hα-helixtrans-75-2.4178-76.3165.5000115.1L1603 M1604 L1605L1603-L1607 HydrophobicContact CG-CD1 4.15Å; L1603-L1607 WeakPolarHBondContact O-CB 3.26Å; L1603-L1607 WeakPolarHBondContact O-CG 3.43Å; L1603-L1607 PolarHBondContact O-N 3.06Å; M1604-L1607 HydrophobicContact CE-CB 4.22Å; M1604-L1607 HydrophobicContact CE-CD1 3.63Å; L1605-L1607 VanDerWaalsContact C-N 3.32Å; L1605-L1607 PolarHBondContact O-N 3.29Å
1608R28.9Very low27.9Very low183 Ų183118.2 Ų118.269%0.69164%0.635SS**Hα-helixtrans-98.5-13.7172.3-75.4-174.9178.3-1672.1114.3L1605 Q1606L1605-R1608 PolarHBondContact O-N 2.97Å; Q1606-R1608 PolarHBondContact O-N 3.38Å
1609E28Very low27.2Very low169 Ų169128.1 Ų128.179%0.7967%0.67SS**Hα-helixtrans-107-7.4-174.3-65.1-173.1164.300114.2Q1606Q1606-E1609 PolarHBondContact O-N 3.01Å
1610T26.3Very low26.6Very low100 Ų100133.8 Ų133.861%0.61370%0.699SS**  trans-126.5102.1-177.555.20000113.8Q1606 V1612Q1606-T1610 PolarHBondContact O-OG1 2.75Å; T1610-V1612 VanDerWaalsContact C-N 3.35Å; T1610-V1612 PolarHBondContact O-N 3.29Å
1611A23.2Very low26.4Very low110 Ų110134.4 Ų134.491%0.90971%0.707SS**  trans-87.458.6177.600000113.5
1612V24.7Very low26Very low121 Ų121137.2 Ų137.273%0.73373%0.726SS**  trans-140125.3166.7-177.90000109.5T1610T1610-V1612 VanDerWaalsContact C-N 3.35Å; T1610-V1612 PolarHBondContact O-N 3.29Å
1613I23.1Very low25.7Very low146 Ų146138.2 Ų138.275%0.74973%0.726SS**  trans-109118.7174.2-61.5171.6000109.2
1614P24.3Very low25.3Very low109 Ų109138.3 Ų138.371%0.70874%0.737SS**  trans-89.9130.3153.5-7.526.7000109.8L1616P1614-L1616 PolarHBondContact O-N 3.11Å
1615T23.7Very low25.2Very low127 Ų127138.2 Ų138.278%0.77975%0.746SS**  trans-70.5125.7175.145.80000111.6
1616L24.1Very low25Very low175 Ų175136.8 Ų136.892%0.91675%0.753SS**  trans-105.8113.6163.8-78.8171.6000110.1P1614P1614-L1616 PolarHBondContact O-N 3.11Å
1617Y23Very low24.7Very low234 Ų234141 Ų14192%0.91876%0.764SS**  trans-113.1131.8165.8-116-85.7000108.3
1618G24.1Very low24.7Very low70 Ų70141.5 Ų141.572%0.72277%0.774SS**  trans67.388.616100000118.1
1619R25.4Very low24.6Very low248 Ų248138 Ų13894%0.93678%0.775SS**  -160.3144128.1-110.8171.9-167.4-170.43.5111.4
1620D25Very low24.6Very low146 Ų146136.3 Ų136.378%0.78178%0.776SS**  trans-86.8159-162.4-58.9-83.7000114.9S1622D1620-S1622 PolarHBondContact O-N 3.36Å
1621L22.6Very low24.6Very low188 Ų188139.1 Ų139.198%0.98479%0.786SS**  trans-82.888.1171-81.1161.2000110.4
1622S22.7Very low24.8Very low90 Ų90139.5 Ų139.563%0.62978%0.782SS**  trans-149.3158.9165.464.10000112.6D1620D1620-S1622 PolarHBondContact O-N 3.36Å
1623H24.9Very low24.8Very low146 Ų146142.1 Ų142.168%0.67679%0.787SS**  trans60.582.6176.3-61.5-75.4000118.1
1624S23.2Very low25Very low112 Ų112141.2 Ų141.278%0.78379%0.788SS**SBend-60.1127.312153.80000108.8
1625S25.3Very low25Very low98 Ų98143.2 Ų143.269%0.68579%0.793SS**  trans50117.1177.160.90000117.5
1626G25.2Very low25.1Very low60 Ų60144.2 Ų144.262%0.61979%0.793SS**  -108.8167120.300000109.6
1627Y22.2Very low25.2Very low222 Ų222142.7 Ų142.787%0.87179%0.785SS**SBendcis38.6112.1-6.6-76.1-79.3000118.5
1628P28.3Very low25.2Very low117 Ų117136.2 Ų136.276%0.7677%0.774SS**  trans-69150.4-17029.4-36000113.2
1629P27.4Very low25.1Very low111 Ų111144 Ų14472%0.72178%0.782SS**  trans-83.6163.3175.935.9-35.9000112.1
1630V28.2Very low25.1Very low132 Ų132139 Ų13980%0.877%0.773SS**  178.7149.4121.4148.20000110.9
1631L25.7Very low25.2Very low160 Ų160137.2 Ų137.284%0.83877%0.772SS**  trans-28155.1163.9-45.7167.7000115.3
1632S27.7Very low25.5Very low117 Ų117133.6 Ų133.682%0.81876%0.76SS**  cis-150.7-166.215.1560000112.6
1633E24.5Very low25.7Very low177 Ų177136.3 Ų136.383%0.82776%0.762SS**  trans-79172.1-167.8-59.3164.5126.800116
1634T27Very low25.9Very low127 Ų127139.1 Ų139.178%0.77977%0.767SS**  trans81.7111167.460.50000120.2
1635D26Very low26.6Very low151 Ų151139.2 Ų139.281%0.80777%0.765SS**  trans61.2119.7137.3-52.6-9.6000124.1
1636D25.1Very low27.1Very low147 Ų147140 Ų14079%0.78677%0.767SS**  trans73.6130.3142.7-89-14.6000125.8
1637L25Very low27.2Very low144 Ų144143.8 Ų143.875%0.75478%0.779SS**  trans67101143.3-63.7171.3000122.9
1638S23.1Very low27.5Very low97 Ų97139 Ų13968%0.67878%0.778SS**  trans63.5108.813163.70000123.3
1639W23.6Very low27.4Very low235 Ų235136.9 Ų136.989%0.8978%0.777SS**  trans58.5125.6132-76.978.2000122.5
1640L24.6Very low27.7Very low142 Ų142137.5 Ų137.574%0.74378%0.781SS**  trans101.9111.4148.1-66160.7000122.1
1641S26.2Very low27.6Very low108 Ų108137.8 Ų137.876%0.75578%0.777SS**  trans71.3141.3132-58.20000122.4
1642P30Very low27.7Very low113 Ų113138.4 Ų138.473%0.73477%0.773SS**  trans-116.3157.1-174.143.2-34.6000117.2
1643E27.5Very low27.7Very low146 Ų146139.8 Ų139.868%0.68277%0.767SS**  trans60.7142.5161-52.6-143135.600119.9
1644R29Very low27.9Very low206 Ų206137.9 Ų137.978%0.77776%0.762SS**  cis-156.8160.8-10.6-111.5-179.6-154.8-15210.4110.7
1645P36.8Very low27.7Very low113 Ų113137.1 Ų137.173%0.73476%0.762SS**  trans-110.7-173.1-172.345.7-37.2000113.6
1646P35.2Very low27.9Very low114 Ų114135.7 Ų135.774%0.7476%0.761SS**  -154.5142.280.737.7-16000120
1647V28.2Very low27.9Very low141 Ų141136 Ų13686%0.85576%0.762SS**  trans60.2113.3135.3-176.40000122.3
1648S28.6Very low27.9Very low122 Ų122133.6 Ų133.685%0.85376%0.757SS**  -164.8147.7113.261.80000110.7
1649G26.2Very low27.9Very low72 Ų72136.1 Ų136.174%0.74276%0.763SS**  trans-154.6163-179.800000113.4
1650P32.8Very low28Very low123 Ų123129 Ų12980%0.79975%0.749SS**  trans-142.4168130.931.3-14.1000112.2
1651L27.4Very low28.2Very low138 Ų138127.2 Ų127.272%0.72374%0.744SS**  cis177.4140.8-14.6-96.9171.3000105.5
1652F27.8Very low28.1Very low174 Ų174128.8 Ų128.876%0.76374%0.744SS**  trans58.1147.3156.9-68.9-52.9000119.1
1653Q27.9Very low27.9Very low146 Ų146127.6 Ų127.668%0.68274%0.739SS**  cis-173.8163.222.6-128.1171.123.600110.2
1654N27.9Very low28.1Very low137 Ų137126.8 Ų126.873%0.73374%0.739SS**  trans72.6103153.5-55.6-18.3000121.4
1655S23.3Very low28.1Very low110 Ų110123.1 Ų123.177%0.76974%0.735SS**  trans-61.8164.1136.9-34.70000110.3
1656P30.3Very low27.9Very low122 Ų122123.5 Ų123.579%0.79274%0.737SS**  -148.7176.680.341.5-23.9000117.1
1657L24.3Very low27.9Very low153 Ų153122.8 Ų122.880%0.80174%0.735SS**  trans-45.5158.4176.3-69.191000118.9
1658S24.9Very low27.9Very low94 Ų94121.1 Ų121.166%0.65773%0.727SS**  trans83.5137.513065.80000121.5
1659N24.6Very low27.8Very low150 Ų150121.4 Ų121.480%0.80272%0.724SS**  trans67.5143143.6-67.70.9000118.4
1660S23.8Very low27.9Very low85 Ų85123.7 Ų123.759%0.59473%0.728SS**  cis-169.3-166.2-13.950.60000107.5
1661T29.5Very low27.8Very low105 Ų105121.1 Ų121.164%0.64472%0.724SS**  trans58.796.5150.244.40000115.7
1662N25.2Very low27.8Very low140 Ų140119.8 Ų119.875%0.74973%0.726SS**  99.9119.983.2-84.111.2000108.4
1663S25.2Very low28Very low89 Ų89115.9 Ų115.962%0.62272%0.721SS**  83.8154101.487.40000111.6
1664D30.5Very low28.2Very low129 Ų129117.6 Ų117.669%0.6973%0.728SS**  cis-117.1163.42.3-73.6-86.5000109
1665N29.9Very low28Very low129 Ų129115.2 Ų115.269%0.6973%0.728SS**  47.6135.763-93.5-15.8000112
1666P33.2Very low28.2Very low120 Ų120115.9 Ų115.978%0.77973%0.729SS**  -144.6135.567.835.5-16.1000115.7
1667S33.8Very low27.8Very low99 Ų99114.8 Ų114.869%0.69273%0.731SS**  trans-59.2149.9141.1-36.20000108.5
1668P29.9Very low27.8Very low107 Ų107110.8 Ų110.870%0.69573%0.726SS**  -158.3170.189.541.4-22.7000117.5
1669V24.8Very low27.7Very low128 Ų128113.9 Ų113.978%0.77673%0.734SS**  trans74.9141.5138.9156.40000120.4
1670S28.3Very low27.7Very low120 Ų120113.2 Ų113.284%0.83974%0.735SS**  trans71151.5164.669.50000116.8
1671G32.4Very low27.6Very low69 Ų69112.5 Ų112.571%0.71174%0.741SS**  trans105.637.2-172.700000115.9
1672S27.4Very low27.3Very low109 Ų109115 Ų11576%0.76275%0.75SS**  -4141128.759.50000116.9
1673S31.7Very low27.5Very low93 Ų93113 Ų11365%0.6574%0.744SS**  cis-155.5162.431.4-61.80000112.8
1674Q31.2Very low27.4Very low181 Ų181116.1 Ų116.185%0.84675%0.753SS**  trans58.6115.7146.6-73.9161.9-11.700117.8
1675A23.6Very low27Very low88 Ų88117.7 Ų117.773%0.72776%0.755SS**  cis56.213020.500000113.4
1676P27.1Very low26.9Very low123 Ų123116.6 Ų116.680%0.79976%0.755SS**  -138.4173.955.841.4-26.6000116.1
1677A23.4Very low26.5Very low100 Ų100117.4 Ų117.483%0.82675%0.752SS**  trans-94.5159.8157.100000110.3
1678G23.6Very low25.9Very low68 Ų68117.9 Ų117.970%0.70175%0.75SS**  trans99.5169.3-176.300000113
1679I23.6Very low25.6Very low160 Ų160118 Ų11882%0.82175%0.749SS**  cis-159.81472.4-127.4163.3000108.5
1680V23Very low25.7Very low135 Ų135118.4 Ų118.482%0.81875%0.747SS**  trans62.7156.3177.7168.60000112
1681G22.7Very low25.6Very low70 Ų70117.3 Ų117.372%0.72274%0.74SS**  cis124.4165.97.200000110.4
1682L22.2Very low25.2Very low158 Ų158118.6 Ų118.683%0.82774%0.738SS**  trans-64.7162.3170.9-72.4163.8000110.9
1683P31Very low25.2Very low98 Ų98120.5 Ų120.564%0.63674%0.737SS**  cis-144.7-169.7-26.837.1-17000114.2
1684I22Very low24.9Very low155 Ų155125.2 Ų125.280%0.79575%0.746SS**  trans76.9150.7143-84.9166.8000120.7
1685H22.6Very low24.7Very low162 Ų162120.5 Ų120.575%0.7573%0.733SS**  trans-19.1155.9160-89.6-71.2000118.6
1686P27.8Very low24.9Very low105 Ų105124.3 Ų124.368%0.68274%0.736SS**  -148.2171.453.742-22.7000119.8
1687I24.5Very low25Very low138 Ų138122.5 Ų122.571%0.70872%0.723SS**  trans6698.1158.4-68.9153.5000114.8
1688T22Very low25.2Very low109 Ų109122.2 Ų122.267%0.66970%0.704SS**  53.5131.87574.40000113
1689T23.9Very low25.4Very low108 Ų108125.1 Ų125.166%0.66369%0.694SS**  cis-156.2-177.240.653.30000112.8
1690N26.9Very low25.6Very low137 Ų137121.1 Ų121.173%0.73368%0.68SS**  trans76.2118165.2-49.6-13.7000115.5
1691S24.7Very low25.8Very low98 Ų98120.2 Ų120.269%0.68568%0.68SS**  cis70.7116.138.387.70000113.1
1692S24.7Very low26.1Very low96 Ų96122.1 Ų122.167%0.67168%0.682SS**  171.815474.1-87.30000113.5
1693I28.1Very low26.5Very low148 Ų148120.6 Ų120.676%0.75968%0.682SS**  trans73.8110.8145.8-67163.1000119.7
1694K24.5Very low26.3Very low192 Ų192125.3 Ų125.384%0.83569%0.692SS**  49.1148128.3-66-168.4176.2-165.70121.1
1695S26.7Very low26.9Very low82 Ų82123.1 Ų123.157%0.57369%0.688SS**  cis-176.9164.42.541.30000111.8
1696H27.8Very low27.1Very low168 Ų168123.4 Ų123.478%0.77869%0.689SS**  trans67.6138.9160.8-65.4-58.9000115
1697T28.7Very low27.1Very low85 Ų85123 Ų12352%0.52169%0.686SS.*  cis-163.7156.1-1.122.80000106.2D1017D1017-T1697 WeakPolarHBondContact OD2-CG2 3.2Å
1698E27.5Very low27.1Very low94 Ų94124.4 Ų124.444%0.43969%0.693SS.*  144.9068.5-122.3167.813000113.1V1015 D1016 D1017V1015-E1698 VanDerWaalsContact C-CB 3.45Å; V1015-E1698 CarbonylContact C-O 3.58Å; V1015-E1698 WeakPolarHBondContact CA-O 3.22Å; V1015-E1698 WeakPolarHBondContact CB-O 3.26Å; V1015-E1698 VanDerWaalsContact CG1-C 3.41Å; V1015-E1698 WeakPolarHBondContact CG1-O 3.4Å; V1015-E1698 WeakPolarHBondContact O-CB 3.37Å; D1016-E1698 VanDerWaalsContact CA-CG 3.47Å; D1016-E1698 VanDerWaalsContact CB-CA 3.44Å; D1016-E1698 HydrophobicContact CB-CB 3.71Å; D1016-E1698 HydrophobicContact CB-CG 3.53Å; D1016-E1698 VanDerWaalsContact N-CG 3.29Å; D1016-E1698 PolarHBondContact N-O 3.16Å; D1017-E1698 HydrophobicContact CB-CG 3.5Å; D1017-E1698 WeakPolarHBondContact OD2-CG 3.35Å
1699R28.2Very low27.3Very low130 Ų130124.6 Ų124.649%0.49170%0.699SS.*  0122.30-101.4146.5-120.115011.1124V1015 D1016 D1017V1015-R1699 HydrophobicContact CB-CB 3.68Å; V1015-R1699 HydrophobicContact CG1-CB 4.36Å; V1015-R1699 HydrophobicContact CG2-CB 3.76Å; D1016-R1699 VanDerWaalsContact CA-CD 3.45Å; D1016-R1699 VanDerWaalsContact CA-CG 3.49Å; D1016-R1699 VanDerWaalsContact CA-N 3.27Å; D1016-R1699 VanDerWaalsContact CB-CA 3.46Å; D1016-R1699 HydrophobicContact CB-CB 3.51Å; D1016-R1699 HydrophobicContact CB-CG 3.84Å; D1016-R1699 VanDerWaalsContact CG-CA 3.42Å; D1016-R1699 VanDerWaalsContact CG-CB 3.43Å; D1016-R1699 VanDerWaalsContact N-N 3.16Å; D1016-R1699 VanDerWaalsContact O-CZ 3.29Å; D1016-R1699 PolarHBondContact O-NH1 3.21Å; D1016-R1699 WeakPolarHBondContact OD1-CG 3.46Å; D1016-R1699 IonicContact OD1-CZ 2.72Å; D1016-R1699 IonicContact OD1-NE 2.7Å; D1016-R1699 PolarHBondContact OD1-NE 2.68Å; D1016-R1699 IonicContact OD1-NH2 2.69Å; D1016-R1699 PolarHBondContact OD1-NH2 3.11Å; D1016-R1699 WeakPolarHBondContact OD2-CA 3.44Å; D1016-R1699 VanDerWaalsContact OD2-CB 3.29Å; D1016-R1699 WeakPolarHBondContact OD2-CB 3.5Å; D1016-R1699 VanDerWaalsContact OD2-CG 3.31Å; D1016-R1699 WeakPolarHBondContact OD2-CG 3.05Å; D1016-R1699 PolarHBondContact OD2-N 2.98Å; D1017-R1699 PolarHBondContact O-NH2 3.48Å
1700S28.3Very low27.5Very low76 Ų76122.9 Ų122.953%0.53170%0.703SS.*  trans-63.7160140.988.80000118.3D1016D1016-S1700 PolarHBondContact OD2-N 2.9Å; D1016-S1700 VanDerWaalsContact OD2-N 3.1Å
1701S27.5Very low27.4Very low116 Ų116124 Ų12481%0.81171%0.709SS**  -169.8-168.965.162.40000112.7
1702S28.2Very low27.5Very low109 Ų109129.4 Ų129.476%0.76272%0.72SS**  trans-160.4155.2-177.772.90000112.5
1703P31.6Very low27.6Very low127 Ų127133.4 Ų133.483%0.82573%0.728SS**  -152-153.377.942-20.4000116.1
1704K25.4Very low27.4Very low197 Ų197131 Ų13186%0.85772%0.724SS**  trans-112.3-169.1179.2-44.3172.8177.3172.60110.3
1705P36.4Very low27.4Very low108 Ų108132.1 Ų132.170%0.70173%0.729SS**  cis-140.8-160.9-5.629.7-2.4000115.8
1706E25.9Very low27.3Very low168 Ų168136.8 Ų136.879%0.78574%0.742SS**  trans86154.7157.4-53.2-143.817100120.6
1707T26.9Very low27.1Very low98 Ų98136.1 Ų136.160%0.60174%0.738SS**  cis-156.6152.4-38.6390000111.7
1708L25.5Very low26.9Very low166 Ų166137.4 Ų137.487%0.86975%0.751SS**  trans59.9153151.5-69.7163.3000119.1
1709S26.2Very low26.6Very low114 Ų114137.5 Ų137.580%0.79776%0.761SS**  cis-156.4167.5-6.459.20000108.5
1710G27Very low26.5Very low71 Ų71143.4 Ų143.473%0.73279%0.785SS**  cis165150.3-800000111.6
1711N25.1Very low26.2Very low162 Ų162145 Ų14587%0.86679%0.792SS**  trans-161.5101.4163.9-140.7-14.5000110.3
1712K27Very low26.1Very low211 Ų211148.3 Ų148.392%0.91780%0.795SS**  trans-142.9116.6173.5-81.5-170.9176174.10110.9
1713Q26.5Very low25.9Very low180 Ų180151.4 Ų151.484%0.84180%0.797SS**  trans-79.5143.4169.6-69.9175.8-27.900110.9
1714S23.5Very low25.6Very low97 Ų97156.2 Ų156.268%0.67880%0.798SS**  trans19.8115.515458.50000119.8
1715K26Very low25.6Very low215 Ų215154.4 Ų154.494%0.93579%0.793SS**  trans-120.3125.8132.4-83.7-169.3172.9-1770108.8
1716H25Very low25.3Very low180 Ų180156.9 Ų156.983%0.83379%0.788SS**  trans-107.1166.4-175.7-121.9-101000111.3
1717H22.5Very low25.4Very low154 Ų154154.3 Ų154.371%0.71377%0.771SS**  trans-65144.4174-60.6-85.6000113.7
1718S24.2Very low25.6Very low113 Ų113153.6 Ų153.679%0.7977%0.771SS**  trans-145.3123.8130.455.30000107.4
1719C22.7Very low25.8Very low96 Ų96151.3 Ų151.365%0.64976%0.759SS**  80.792.356.9-162.20000112T1721C1719-T1721 VanDerWaalsContact C-N 3.26Å; C1719-T1721 PolarHBondContact O-N 3.44Å
1720Y24.3Very low26.1Very low253 Ų253149.5 Ų149.599%0.99275%0.751SS**  trans-77.675.3170.7-124-82.2000109.3
1721T22.4Very low26.3Very low110 Ų110148.7 Ų148.768%0.67573%0.729SS**  trans-95.4136.4174.324.70000111.7C1719 H1723C1719-T1721 VanDerWaalsContact C-N 3.26Å; C1719-T1721 PolarHBondContact O-N 3.44Å; T1721-H1723 PolarHBondContact O-N 2.77Å
1722E25.7Very low26.5Very low186 Ų186143.1 Ų143.187%0.86970%0.702SS**  trans-63113.3173.7-57.8176.2110.500110.8
1723H25Very low26.7Very low173 Ų173137.3 Ų137.380%0.80169%0.688SS**  trans-155.7108.5155-106-73.2000113.6T1721 Q1725T1721-H1723 PolarHBondContact O-N 2.77Å; H1723-Q1725 PolarHBondContact O-N 3.42Å
1724R25.2Very low27Very low229 Ų229131.3 Ų131.386%0.86466%0.661SS**  trans-9.186.7162.2-54.7176.5-178-166.4-0.9117.4
1725Q25.6Very low27.5Very low158 Ų158128.8 Ų128.874%0.73864%0.64SS**  trans-128.7-13.9168.3-80.6-164.7-14.900116.9H1723 S1728H1723-Q1725 PolarHBondContact O-N 3.42Å; Q1725-S1728 PolarHBondContact O-OG 2.98Å; Q1725-S1728 VanDerWaalsContact O-OG 3.06Å
1726W29.2Very low27.8Very low161 Ų161122.6 Ų122.661%0.6162%0.624SS**SBendtrans-70.8-30.7174.9-95.9-2.9000113.8L1594 S1728 N1729 A1730L1594-W1726 HydrophobicContact CD2-CE3 4.46Å; L1594-W1726 HydrophobicContact CD2-CH2 4.14Å; L1594-W1726 HydrophobicContact CD2-CZ3 3.67Å; W1726-S1728 VanDerWaalsContact C-N 3.33Å; W1726-S1728 PolarHBondContact O-N 3.09Å; W1726-N1729 PolarHBondContact O-N 3.21Å; W1726-A1730 PolarHBondContact O-N 2.96Å
1727W28.7Very low28Very low113 Ų113122.7 Ų122.743%0.42862%0.622SS.*Hα-helixtrans-67.5-25.7-175.6-72.1109.1000114.9N1729 I1731 L1748W1727-N1729 PolarHBondContact O-N 3.39Å; W1727-I1731 HydrophobicContact CE3-CD1 3.61Å; W1727-I1731 HydrophobicContact CE3-CG1 4.08Å; W1727-I1731 HydrophobicContact CZ3-CD1 3.77Å; W1727-I1731 HydrophobicContact CZ3-CG1 4.31Å; W1727-L1748 HydrophobicContact CH2-CB 3.52Å; W1727-L1748 HydrophobicContact CH2-CD1 3.87Å; W1727-L1748 HydrophobicContact CH2-CG 4.22Å; W1727-L1748 HydrophobicContact CZ2-CB 3.55Å; W1727-L1748 HydrophobicContact CZ3-CD1 4.48Å
1728S29.9Very low28.4Very low84 Ų84118.1 Ų118.159%0.58761%0.605SS**Hα-helixtrans-72-17.9176.752.50000113.7Q1725 W1726Q1725-S1728 PolarHBondContact O-OG 2.98Å; Q1725-S1728 VanDerWaalsContact O-OG 3.06Å; W1726-S1728 VanDerWaalsContact C-N 3.33Å; W1726-S1728 PolarHBondContact O-N 3.09Å
1729N29.9Very low28.5Very low118 Ų118116.8 Ų116.863%0.63159%0.588SS**Hα-helixtrans-112.3-19.3-170.8-58.712.3000112.1W1726 W1727W1726-N1729 PolarHBondContact O-N 3.21Å; W1727-N1729 PolarHBondContact O-N 3.39Å
1730A32.4Very low28.8Very low76 Ų76116.1 Ų116.163%0.62858%0.583SS**Hα-helixtrans-96-22.1178.200000114.1W1726W1726-A1730 PolarHBondContact O-N 2.96Å
1731I31.5Very low29.1Very low53 Ų53109.8 Ų109.827%0.27257%0.566SS.*SBendtrans-111.7126.6175.5-66.1-176.6000109.2W1727 S1733 I1735W1727-I1731 HydrophobicContact CE3-CD1 3.61Å; W1727-I1731 HydrophobicContact CE3-CG1 4.08Å; W1727-I1731 HydrophobicContact CZ3-CD1 3.77Å; W1727-I1731 HydrophobicContact CZ3-CG1 4.31Å; I1731-S1733 PolarHBondContact O-N 3.27Å; I1731-I1735 HydrophobicContact CG2-CB 3.74Å; I1731-I1735 HydrophobicContact CG2-CG2 3.75Å
1732P29.2Very low29.5Very low45 Ų45109.8 Ų109.829%0.29256%0.561SS.*  trans-51.4131.9171.4-28.735.4000112.3L1734 I1735 Q1818P1732-L1734 PolarHBondContact O-N 3.02Å; P1732-I1735 HydrophobicContact CG-CD1 4.49Å; P1732-I1735 PolarHBondContact O-N 3.26Å; P1732-Q1818 HydrophobicContact CB-CG 4.25Å
1733S32Very low29.6Very low89 Ų89108.5 Ų108.562%0.62256%0.555SS**Hα-helixtrans-56.8-18.8-173.959.70000114.7I1731 K1737I1731-S1733 PolarHBondContact O-N 3.27Å; S1733-K1737 WeakPolarHBondContact O-CG 3.32Å
1734L32.3Very low29.7Very low54 Ų54104.5 Ų104.528%0.28355%0.546SS..Hα-helixtrans-70.3-40.8174.6-164.558.4000112.8P1732 K1737 T1738 I1821 A1822 L1825P1732-L1734 PolarHBondContact O-N 3.02Å; L1734-K1737 PolarHBondContact O-N 2.88Å; L1734-T1738 WeakPolarHBondContact O-CG2 3.39Å; L1734-T1738 PolarHBondContact O-N 3.4Å; L1734-T1738 PolarHBondContact O-OG1 3.22Å; L1734-I1821 HydrophobicContact CD2-CB 4.07Å; L1734-I1821 HydrophobicContact CD2-CG2 3.63Å; L1734-I1821 HydrophobicContact CG-CG2 3.99Å; L1734-A1822 HydrophobicContact CD2-CB 4.1Å; L1734-L1825 HydrophobicContact CD1-CD1 3.64Å; L1734-L1825 HydrophobicContact CD2-CD1 3.99Å; L1734-L1825 HydrophobicContact CG-CD1 3.7Å
1735I33.3Very low29.9Very low44 Ų4495.3 Ų95.323%0.22652%0.522CS..Hα-helixtrans-68.1-42.9178-67.5177.7000110.3I1731 P1732 K1737 T1738 L1739 I1821I1731-I1735 HydrophobicContact CG2-CB 3.74Å; I1731-I1735 HydrophobicContact CG2-CG2 3.75Å; P1732-I1735 HydrophobicContact CG-CD1 4.49Å; P1732-I1735 PolarHBondContact O-N 3.26Å; I1735-K1737 PolarHBondContact O-N 3.11Å; I1735-K1737 VanDerWaalsContact O-N 3.12Å; I1735-T1738 PolarHBondContact O-N 3.3Å; I1735-L1739 HydrophobicContact CG2-CD1 4.26Å; I1735-I1821 HydrophobicContact CD1-CD1 3.91Å; I1735-I1821 HydrophobicContact CG1-CD1 4.01Å
1736S32.7Very low30.3Very low86 Ų8692 Ų9260%0.60151%0.509SS*.Hα-helixtrans-57.5-25.2176.9-172.30000113.5
1737K29.9Very low30.6Very low181 Ų18188.9 Ų88.979%0.78750%0.504SS*.THydrogen-bonded Turntrans-101.6-6.8-177.1-71.1-178.8176.4-175.60115.3S1733 L1734 I1735S1733-K1737 WeakPolarHBondContact O-CG 3.32Å; L1734-K1737 PolarHBondContact O-N 2.88Å; I1735-K1737 PolarHBondContact O-N 3.11Å; I1735-K1737 VanDerWaalsContact O-N 3.12Å
1738T29.6Very low31.1Very low58 Ų5886.4 Ų86.436%0.35650%0.498SS..THydrogen-bonded Turntrans-128-3.5-167.554.10000116L1734 I1735 P1740 L1825L1734-T1738 WeakPolarHBondContact O-CG2 3.39Å; L1734-T1738 PolarHBondContact O-N 3.4Å; L1734-T1738 PolarHBondContact O-OG1 3.22Å; I1735-T1738 PolarHBondContact O-N 3.3Å; T1738-P1740 WeakPolarHBondContact O-CD 3.46Å; T1738-L1825 HydrophobicContact CG2-CD1 3.9Å; T1738-L1825 HydrophobicContact CG2-CD2 4.01Å
1739L27.3Very low31.8Very low85 Ų8586.7 Ų86.745%0.44549%0.491SS..  trans-11991.7177.8-82.7163.9000112.8I1735 L1741 L1742I1735-L1739 HydrophobicContact CG2-CD1 4.26Å; L1739-L1741 PolarHBondContact O-N 3.28Å; L1739-L1741 VanDerWaalsContact O-N 3.16Å; L1739-L1742 HydrophobicContact CB-CD1 4.39Å; L1739-L1742 PolarHBondContact O-N 3.39Å
1740P29Very low33.2Very low83 Ų8382.8 Ų82.854%0.53947%0.471SS..G310 helixtrans-58-26.9175.4-25.634.9000114T1738 L1742 H1743T1738-P1740 WeakPolarHBondContact O-CD 3.46Å; P1740-L1742 PolarHBondContact O-N 3.06Å; P1740-H1743 WeakPolarHBondContact O-CB 3.22Å; P1740-H1743 PolarHBondContact O-N 3.29Å
1741L29.4Very low34.9Very low120 Ų12079.7 Ų79.763%0.62845%0.445SS*.G310 helixtrans-65.4-20-176.9-62.7174.4000113.9L1739 H1743L1739-L1741 PolarHBondContact O-N 3.28Å; L1739-L1741 VanDerWaalsContact O-N 3.16Å; L1741-H1743 PolarHBondContact O-N 3Å
1742L32.1Very low36.5Very low109 Ų10979.6 Ų79.657%0.57146%0.457SS*.G310 helixtrans-77.2-5.2173.4-77.3168.5000113.8L1739 P1740L1739-L1742 HydrophobicContact CB-CD1 4.39Å; L1739-L1742 PolarHBondContact O-N 3.39Å; P1740-L1742 PolarHBondContact O-N 3.06Å
1743H27.8Very low38.9Very low159 Ų15979.8 Ų79.874%0.73645%0.453SS*.G310 helixtrans-91.90.9179.9-72.872.6000114.2P1740 L1741P1740-H1743 WeakPolarHBondContact O-CB 3.22Å; P1740-H1743 PolarHBondContact O-N 3.29Å; L1741-H1743 PolarHBondContact O-N 3Å
1744S27.5Very low41.2Very low90 Ų9076 Ų7663%0.62943%0.427SS*.SBendtrans-141.1111.5-179.258.30000113.5
1745G28.6Very low43.4Very low35 Ų3573.4 Ų73.436%0.36141%0.413SS..SBendtrans118.3-38.7157.800000116.3S1601S1601-G1745 VanDerWaalsContact CB-O 3.27Å; S1601-G1745 WeakPolarHBondContact CB-O 3.46Å; S1601-G1745 PolarHBondContact N-O 3.03Å; S1601-G1745 PolarHBondContact OG-O 3.19Å
1746I33.1Very low45.9Very low89 Ų8972.1 Ų72.146%0.45641%0.406SS..EExtended strand (participates in β ladder)trans-113134.2-169.1-58.9174.4000111.2I1598I1598-I1746 HydrophobicContact CG2-CG2 3.75Å
1747L37.3Very low48Very low95 Ų9573.6 Ų73.650%0.49740%0.398SS..EExtended strand (participates in β ladder)trans-121.3109.7175.1-161.589000109.9C1599C1599-L1747 HydrophobicContact CB-CB 4.45Å; C1599-L1747 WeakPolarHBondContact CB-O 3.34Å; C1599-L1747 PolarHBondContact N-O 3.47Å; C1599-L1747 PolarHBondContact O-N 2.97Å
1748L37.6Very low50.1Low61 Ų6169.6 Ų69.632%0.31938%0.383SS..EExtended strand (participates in β ladder)trans-77.1125.5170-77.6142.3000109.4D1596 I1598 W1727D1596-L1748 VanDerWaalsContact OD2-CD2 3.25Å; D1596-L1748 WeakPolarHBondContact OD2-CD2 3.47Å; I1598-L1748 HydrophobicContact CD1-CD2 4.27Å; I1598-L1748 HydrophobicContact CG1-CD2 3.57Å; I1598-L1748 HydrophobicContact CG1-CG 4.28Å; W1727-L1748 HydrophobicContact CH2-CB 3.52Å; W1727-L1748 HydrophobicContact CH2-CD1 3.87Å; W1727-L1748 HydrophobicContact CH2-CG 4.22Å; W1727-L1748 HydrophobicContact CZ2-CB 3.55Å; W1727-L1748 HydrophobicContact CZ3-CD1 4.48Å
1749Q46.2Very low52.4Low90 Ų9067.8 Ų67.842%0.42137%0.372SS..  trans-13994.4-173-172179.638.700111D1596 M1597D1596-Q1749 VanDerWaalsContact OD1-C 3.28Å; M1597-Q1749 PolarHBondContact O-N 3.3Å
1750T59.2Low54.8Low36 Ų3663.9 Ų63.922%0.22135%0.352CS..  trans-60.1151178.491.80000111.4L1594 D1596 G1752 L1793L1594-T1750 HydrophobicContact CD2-CG2 3.87Å; D1596-T1750 HydrophobicContact CB-CG2 4.46Å; D1596-T1750 VanDerWaalsContact OD1-CA 3.24Å; D1596-T1750 WeakPolarHBondContact OD1-CA 3.45Å; D1596-T1750 PolarHBondContact OD1-N 3.44Å; T1750-G1752 VanDerWaalsContact C-N 3.3Å; T1750-G1752 PolarHBondContact OG1-N 3.3Å; T1750-L1793 HydrophobicContact CG2-CD1 3.97Å
1751C67.8Low56.8Low12 Ų1264.9 Ų64.98%0.08135%0.349CS..  trans-88.13.1175.4770000113.8L1595 H1753 R1787L1595-C1751 VanDerWaalsContact CB-SG 3.54Å; L1595-C1751 PolarHBondContact O-N 3.48Å; L1595-C1751 PolarHBondContact O-SG 3.26Å; C1751-H1753 PolarHBondContact O-CE1 3.05Å; C1751-H1753 PolarHBondContact O-N 3.17Å; C1751-H1753 PolarHBondContact O-ND1 3.01Å; C1751-R1787 HydrophobicContact CB-CB 4.43Å
1752G63.6Low58.8Low50 Ų5065.8 Ų65.852%0.51534%0.344SS..SBendtrans76.2-13.7-178.900000116T1750T1750-G1752 VanDerWaalsContact C-N 3.3Å; T1750-G1752 PolarHBondContact OG1-N 3.3Å
1753H81.1Confident60.8Low49 Ų4963.9 Ų63.923%0.22733%0.33CS..  trans-89.4139.8-175.1-57.891.2000112.2V1579 L1595 C1751V1579-H1753 HydrophobicContact CG1-CB 4.05Å; V1579-H1753 HydrophobicContact CG2-CB 3.89Å; L1595-H1753 WeakPolarHBondContact CB-O 3.24Å; L1595-H1753 HydrophobicContact CD1-CB 4.26Å; L1595-H1753 WeakPolarHBondContact CG-O 3.3Å; L1595-H1753 PolarHBondContact N-O 3.04Å; C1751-H1753 PolarHBondContact O-CE1 3.05Å; C1751-H1753 PolarHBondContact O-N 3.17Å; C1751-H1753 PolarHBondContact O-ND1 3.01Å
1754V78.7Confident62.6Low10 Ų1062.5 Ų62.56%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-111.8147.3-177.6-163.60000110.1Y1576 C1578 V1579 M1592 V1593 L1594 L1795Y1576-V1754 HydrophobicContact CD1-CG2 3.85Å; Y1576-V1754 HydrophobicContact CG-CG2 4.42Å; C1578-V1754 WeakPolarHBondContact CA-O 3.46Å; V1579-V1754 WeakPolarHBondContact CG2-O 3.47Å; V1579-V1754 PolarHBondContact N-O 3.34Å; M1592-V1754 HydrophobicContact CB-CG1 4.02Å; M1592-V1754 HydrophobicContact CG-CG1 4.29Å; M1592-V1754 HydrophobicContact SD-CB 4.47Å; M1592-V1754 HydrophobicContact SD-CG1 3.55Å; M1592-V1754 VanDerWaalsContact SD-CG1 3.55Å; V1593-V1754 WeakPolarHBondContact O-CA 3.27Å; L1594-V1754 HydrophobicContact CD1-CG2 3.95Å; V1754-L1795 HydrophobicContact CB-CD1 4.41Å; V1754-L1795 HydrophobicContact CG1-CD1 3.43Å; V1754-L1795 VanDerWaalsContact CG1-CD1 3.43Å; V1754-L1795 HydrophobicContact CG1-CG 4.37Å; V1754-L1795 HydrophobicContact CG2-CD1 3.99Å
1755V79.2Confident64.2Low0 Ų062.6 Ų62.60%032%0.315CS..EExtended strand (participates in β ladder)trans-144.3146.2176.4-69.30000110.6V1579 I1580 V1593 L1595 R1757 F1760V1579-V1755 HydrophobicContact CG2-CG1 3.45Å; V1579-V1755 VanDerWaalsContact CG2-CG1 3.45Å; I1580-V1755 HydrophobicContact CB-CG1 4.45Å; I1580-V1755 HydrophobicContact CD1-CB 3.93Å; I1580-V1755 HydrophobicContact CD1-CG1 3.5Å; I1580-V1755 HydrophobicContact CG1-CG1 3.69Å; V1593-V1755 HydrophobicContact CG2-CG2 3.81Å; V1593-V1755 WeakPolarHBondContact CG2-O 3.28Å; V1593-V1755 PolarHBondContact N-O 3.24Å; V1593-V1755 PolarHBondContact O-N 3.37Å; L1595-V1755 HydrophobicContact CD1-CG1 3.88Å; L1595-V1755 HydrophobicContact CD1-CG2 4.08Å; L1595-V1755 HydrophobicContact CD2-CG2 3.55Å; L1595-V1755 HydrophobicContact CG-CG2 3.9Å; V1755-R1757 PolarHBondContact O-N 2.89Å; V1755-F1760 HydrophobicContact CB-CB 4.43Å; V1755-F1760 HydrophobicContact CG2-CB 3.69Å; V1755-F1760 HydrophobicContact CG2-CD2 4.04Å; V1755-F1760 HydrophobicContact CG2-CG 4.15Å
1756H86.3Confident65.4Low17 Ų1767.8 Ų67.88%0.07933%0.33CS..EExtended strand (participates in β ladder)trans-58.5132.9162.5-53.6137.4000108.4C1578 C1581 D1590 M1592 E1758 C1759 F1760C1578-H1756 VanDerWaalsContact CB-CE1 3.45Å; C1578-H1756 WeakPolarHBondContact CB-CE1 3.29Å; C1578-H1756 WeakPolarHBondContact CB-ND1 3.47Å; C1578-H1756 PolarHBondContact SG-N 2.97Å; C1581-H1756 PolarHBondContact SG-ND1 3.32Å; C1581-H1756 VanDerWaalsContact SG-ND1 3.42Å; D1590-H1756 WeakPolarHBondContact CB-CD2 3.44Å; D1590-H1756 WeakPolarHBondContact CB-NE2 3.31Å; D1590-H1756 WeakPolarHBondContact O-CB 3.48Å; D1590-H1756 PolarHBondContact O-CD2 2.82Å; M1592-H1756 VanDerWaalsContact CE-NE2 3.29Å; M1592-H1756 WeakPolarHBondContact CE-NE2 3.42Å; M1592-H1756 PolarHBondContact SD-CD2 2.81Å; H1756-E1758 PolarHBondContact O-N 3.21Å; H1756-C1759 HydrophobicContact CB-CB 3.93Å; H1756-C1759 CarbonylContact O-C 3.54Å; H1756-C1759 WeakPolarHBondContact O-CA 3.45Å; H1756-C1759 WeakPolarHBondContact O-CB 3.28Å; H1756-C1759 PolarHBondContact O-N 2.84Å; H1756-F1760 PolarHBondContact O-N 3.02Å
1757R76.2Confident66Low116 Ų11665.1 Ų65.144%0.43832%0.324SS..Hα-helixtrans-58.3-37.4-178-168.8-169.6-161.6-178.64112.1D1591 V1593 V1755 F1760 Q1761D1591-R1757 HydrophobicContact CB-CB 4.24Å; D1591-R1757 WeakPolarHBondContact O-CB 3.46Å; D1591-R1757 PolarHBondContact O-N 3.04Å; D1591-R1757 IonicContact OD1-NH1 2.66Å; D1591-R1757 WeakPolarHBondContact OD2-CD 3.43Å; D1591-R1757 IonicContact OD2-CZ 3.81Å; D1591-R1757 IonicContact OD2-NE 2.85Å; D1591-R1757 IonicContact OD2-NH1 3.48Å; D1591-R1757 PolarHBondContact OD2-NH1 3.12Å; V1593-R1757 HydrophobicContact CG1-CB 4.09Å; V1593-R1757 HydrophobicContact CG1-CG 4.19Å; V1593-R1757 HydrophobicContact CG2-CB 4.17Å; V1593-R1757 HydrophobicContact CG2-CG 4.5Å; V1755-R1757 PolarHBondContact O-N 2.89Å; R1757-F1760 PolarHBondContact O-N 3.29Å; R1757-Q1761 WeakPolarHBondContact O-CB 3.25Å; R1757-Q1761 VanDerWaalsContact O-CG 3.32Å; R1757-Q1761 WeakPolarHBondContact O-CG 3.22Å; R1757-Q1761 PolarHBondContact O-N 2.98Å
1758E73.5Confident66.1Low98 Ų9862.1 Ų62.146%0.45832%0.316SS..Hα-helixtrans-67.6-38.1173.7-160.1-173.9164.100111.8H1756 F1760 Q1761 R1762H1756-E1758 PolarHBondContact O-N 3.21Å; E1758-F1760 VanDerWaalsContact C-N 3.35Å; E1758-Q1761 PolarHBondContact O-N 2.73Å; E1758-R1762 WeakPolarHBondContact O-CB 3.28Å; E1758-R1762 VanDerWaalsContact O-CG 3.27Å; E1758-R1762 WeakPolarHBondContact O-CG 3.47Å; E1758-R1762 PolarHBondContact O-N 3.39Å; E1758-R1762 IonicContact OE1-CZ 3.45Å; E1758-R1762 IonicContact OE1-NE 3.52Å; E1758-R1762 PolarHBondContact OE1-NE 3.26Å; E1758-R1762 IonicContact OE1-NH2 2.67Å; E1758-R1762 PolarHBondContact OE1-NH2 2.94Å; E1758-R1762 IonicContact OE2-NH2 3.39Å
1759C79.8Confident66.2Low20 Ų2064.9 Ų64.914%0.13533%0.331CS..Hα-helixtrans-64.4-39.4172.1-70.60000111.5I1580 H1756 R1762 Y1763I1580-C1759 HydrophobicContact CB-CB 3.98Å; I1580-C1759 HydrophobicContact CD1-CB 4.24Å; I1580-C1759 WeakPolarHBondContact CD1-O 3.33Å; I1580-C1759 HydrophobicContact CG2-CB 3.85Å; H1756-C1759 HydrophobicContact CB-CB 3.93Å; H1756-C1759 CarbonylContact O-C 3.54Å; H1756-C1759 WeakPolarHBondContact O-CA 3.45Å; H1756-C1759 WeakPolarHBondContact O-CB 3.28Å; H1756-C1759 PolarHBondContact O-N 2.84Å; C1759-R1762 PolarHBondContact O-N 2.79Å; C1759-Y1763 WeakPolarHBondContact O-CB 3.46Å; C1759-Y1763 PolarHBondContact O-N 3.29Å
1760F77.6Confident65.7Low3 Ų370.8 Ų70.81%0.01335%0.35CS..Hα-helixtrans-67-38.2173.9-171.1-102.2000112.8I1580 L1595 V1755 H1756 R1757 E1758 Y1763 R1764 I1780 I1789 L1792I1580-F1760 HydrophobicContact CD1-CB 4.33Å; I1580-F1760 HydrophobicContact CD1-CD2 4.34Å; L1595-F1760 HydrophobicContact CD2-CD2 3.73Å; L1595-F1760 HydrophobicContact CD2-CE2 3.72Å; L1595-F1760 HydrophobicContact CD2-CG 4.4Å; L1595-F1760 HydrophobicContact CD2-CZ 4.37Å; V1755-F1760 HydrophobicContact CB-CB 4.43Å; V1755-F1760 HydrophobicContact CG2-CB 3.69Å; V1755-F1760 HydrophobicContact CG2-CD2 4.04Å; V1755-F1760 HydrophobicContact CG2-CG 4.15Å; H1756-F1760 PolarHBondContact O-N 3.02Å; R1757-F1760 PolarHBondContact O-N 3.29Å; E1758-F1760 VanDerWaalsContact C-N 3.35Å; F1760-Y1763 HydrophobicContact CD2-CD1 4.36Å; F1760-Y1763 HydrophobicContact CE2-CD1 4.28Å; F1760-Y1763 PolarHBondContact O-N 3.07Å; F1760-R1764 WeakPolarHBondContact O-CB 3.39Å; F1760-R1764 PolarHBondContact O-N 3.37Å; F1760-I1780 HydrophobicContact CE1-CD1 3.71Å; F1760-I1780 HydrophobicContact CE2-CG2 3.86Å; F1760-I1780 HydrophobicContact CZ-CB 3.95Å; F1760-I1780 HydrophobicContact CZ-CD1 3.64Å; F1760-I1780 HydrophobicContact CZ-CG1 4.41Å; F1760-I1780 HydrophobicContact CZ-CG2 3.57Å; F1760-I1789 HydrophobicContact CE2-CD1 3.68Å; F1760-I1789 HydrophobicContact CZ-CD1 4.12Å; F1760-I1789 HydrophobicContact CZ-CG2 4.48Å; F1760-L1792 HydrophobicContact CD1-CD1 3.58Å; F1760-L1792 HydrophobicContact CD1-CD2 3.74Å; F1760-L1792 HydrophobicContact CD1-CG 4.2Å; F1760-L1792 HydrophobicContact CD2-CD2 4.43Å; F1760-L1792 HydrophobicContact CE1-CD1 3.8Å; F1760-L1792 HydrophobicContact CE1-CD2 3.67Å; F1760-L1792 HydrophobicContact CE1-CG 4.08Å; F1760-L1792 HydrophobicContact CE2-CD2 4.39Å; F1760-L1792 HydrophobicContact CG-CD1 4.48Å; F1760-L1792 HydrophobicContact CG-CD2 4.1Å; F1760-L1792 HydrophobicContact CZ-CD2 3.99Å
1761Q69.3Low64.2Low104 Ų10473.6 Ų73.649%0.48637%0.371SS..Hα-helixtrans-63.4-43.8172.6-75.5170.4-18.900111R1757 E1758 R1764 T1765R1757-Q1761 WeakPolarHBondContact O-CB 3.25Å; R1757-Q1761 VanDerWaalsContact O-CG 3.32Å; R1757-Q1761 WeakPolarHBondContact O-CG 3.22Å; R1757-Q1761 PolarHBondContact O-N 2.98Å; E1758-Q1761 PolarHBondContact O-N 2.73Å; Q1761-R1764 PolarHBondContact O-N 3.2Å; Q1761-T1765 WeakPolarHBondContact O-CG2 3.49Å; Q1761-T1765 PolarHBondContact O-N 3.27Å; Q1761-T1765 PolarHBondContact O-OG1 2.78Å
1762R72.6Confident62.4Low139 Ų13975.2 Ų75.253%0.52539%0.385SS..Hα-helixtrans-62.2-41.3173.4-69.4172.7-170.6-1655.4111.9E1758 C1759 T1765 H1766E1758-R1762 WeakPolarHBondContact O-CB 3.28Å; E1758-R1762 VanDerWaalsContact O-CG 3.27Å; E1758-R1762 WeakPolarHBondContact O-CG 3.47Å; E1758-R1762 PolarHBondContact O-N 3.39Å; E1758-R1762 IonicContact OE1-CZ 3.45Å; E1758-R1762 IonicContact OE1-NE 3.52Å; E1758-R1762 PolarHBondContact OE1-NE 3.26Å; E1758-R1762 IonicContact OE1-NH2 2.67Å; E1758-R1762 PolarHBondContact OE1-NH2 2.94Å; E1758-R1762 IonicContact OE2-NH2 3.39Å; C1759-R1762 PolarHBondContact O-N 2.79Å; R1762-T1765 WeakPolarHBondContact CA-OG1 3.47Å; R1762-T1765 PolarHBondContact O-N 3.11Å; R1762-T1765 PolarHBondContact O-OG1 2.73Å; R1762-H1766 WeakPolarHBondContact O-CB 3.23Å; R1762-H1766 PolarHBondContact O-N 3.32Å; R1762-H1766 PolarHBondContact O-ND1 3.1Å
1763Y73.3Confident60.8Low68 Ų6873.7 Ų73.727%0.26737%0.367SS..Hα-helixtrans-66.5-38.9174175.1-97.9000112.6I1580 C1759 F1760 G1767 I1780 V1781 P1783I1580-Y1763 HydrophobicContact CD1-CG 4.11Å; C1759-Y1763 WeakPolarHBondContact O-CB 3.46Å; C1759-Y1763 PolarHBondContact O-N 3.29Å; F1760-Y1763 HydrophobicContact CD2-CD1 4.36Å; F1760-Y1763 HydrophobicContact CE2-CD1 4.28Å; F1760-Y1763 PolarHBondContact O-N 3.07Å; Y1763-G1767 WeakPolarHBondContact O-CA 3.05Å; Y1763-G1767 PolarHBondContact O-N 3.38Å; Y1763-I1780 HydrophobicContact CD1-CG2 4.27Å; Y1763-I1780 HydrophobicContact CE1-CG2 3.92Å; Y1763-V1781 WeakPolarHBondContact CE1-O 3.42Å; Y1763-V1781 PolarHBondContact OH-O 3.22Å; Y1763-V1781 VanDerWaalsContact OH-O 3.06Å; Y1763-P1783 HydrophobicContact CD2-CB 4.23Å; Y1763-P1783 HydrophobicContact CE1-CB 4.46Å; Y1763-P1783 HydrophobicContact CE2-CB 3.79Å
1764R66.3Low58.5Low130 Ų13075.4 Ų75.449%0.49138%0.382SS..Hα-helixtrans-65-38.1175.1-179.2-180-176.7154.85111.9F1760 Q1761 I1780F1760-R1764 WeakPolarHBondContact O-CB 3.39Å; F1760-R1764 PolarHBondContact O-N 3.37Å; Q1761-R1764 PolarHBondContact O-N 3.2Å; R1764-I1780 HydrophobicContact CB-CD1 4.31Å; R1764-I1780 HydrophobicContact CG-CD1 3.69Å; R1764-I1780 HydrophobicContact CG-CG1 4.44Å
1765T61.2Low56.1Low93 Ų9380.2 Ų80.257%0.57140%0.399SS*.Hα-helixtrans-76.2-42176.254.50000112.4Q1761 R1762Q1761-T1765 WeakPolarHBondContact O-CG2 3.49Å; Q1761-T1765 PolarHBondContact O-N 3.27Å; Q1761-T1765 PolarHBondContact O-OG1 2.78Å; R1762-T1765 WeakPolarHBondContact CA-OG1 3.47Å; R1762-T1765 PolarHBondContact O-N 3.11Å; R1762-T1765 PolarHBondContact O-OG1 2.73Å
1766H54.2Low54Low144 Ų14487.7 Ų87.767%0.66743%0.433SS*.Hα-helixtrans-72.4-32.6177.8-72.466.4000112.9R1762 G1768 N1769R1762-H1766 WeakPolarHBondContact O-CB 3.23Å; R1762-H1766 PolarHBondContact O-N 3.32Å; R1762-H1766 PolarHBondContact O-ND1 3.1Å; H1766-G1768 VanDerWaalsContact C-N 3.27Å; H1766-G1768 PolarHBondContact O-N 3.16Å; H1766-N1769 PolarHBondContact O-N 2.92Å
1767G45.7Very low51.7Low33 Ų3398.8 Ų98.834%0.3448%0.475SS..Hα-helixtrans-67.6-24.1177.500000113.9Y1763 N1769 R1770Y1763-G1767 WeakPolarHBondContact O-CA 3.05Å; Y1763-G1767 PolarHBondContact O-N 3.38Å; G1767-N1769 PolarHBondContact O-N 3.48Å; G1767-R1770 PolarHBondContact O-N 2.93Å
1768G39.7Very low50.2Low32 Ų3296.1 Ų96.133%0.3347%0.474SS..THydrogen-bonded Turntrans-56.1-37.517600000113.1H1766 R1770H1766-G1768 VanDerWaalsContact C-N 3.27Å; H1766-G1768 PolarHBondContact O-N 3.16Å; G1768-R1770 VanDerWaalsContact C-N 3.34Å; G1768-R1770 PolarHBondContact O-N 3.25Å
1769N39.7Very low48.8Very low119 Ų11997.2 Ų97.264%0.63647%0.474SS*.THydrogen-bonded Turntrans-85.7-1.7-173-65.212000113.6H1766 G1767H1766-N1769 PolarHBondContact O-N 2.92Å; G1767-N1769 PolarHBondContact O-N 3.48Å
1770R34.2Very low48.1Very low214 Ų21497.6 Ų97.681%0.80847%0.474SS*.THydrogen-bonded Turntrans-136.281.5-177.3-69.3-172.6175.4-179.9-1.2112.5G1767 G1768G1767-R1770 PolarHBondContact O-N 2.93Å; G1768-R1770 VanDerWaalsContact C-N 3.34Å; G1768-R1770 PolarHBondContact O-N 3.25Å
1771S28.8Very low47.6Very low94 Ų9499.7 Ų99.766%0.65749%0.487SS*.THydrogen-bonded Turntrans90.136.4170.1-30.20000117.3
1772A30.1Very low47.9Very low47 Ų4794.8 Ų94.839%0.38846%0.464SS..  trans-91.4101.7166.600000110.1R2469A1772-R2469 WeakPolarHBondContact O-CA 3.42Å
1773A29.4Very low47.6Very low17 Ų1789.6 Ų89.614%0.1445%0.449CS..  trans-156.9113.5-164.900000109.8R1775 N2467 W2468 R2469A1773-R1775 PolarHBondContact O-N 2.79Å; A1773-N2467 VanDerWaalsContact CB-CA 3.45Å; A1773-N2467 HydrophobicContact CB-CB 3.7Å; A1773-N2467 WeakPolarHBondContact CB-O 3.23Å; A1773-W2468 WeakPolarHBondContact CA-O 3.26Å; A1773-R2469 HydrophobicContact CB-CG 4.26Å
1774T32.1Very low47.5Very low86 Ų8691 Ų9153%0.52846%0.46SS..SBendtrans52.631.1-166.615.90000116.2K2466 N2467T1774-K2466 WeakPolarHBondContact CB-O 3.15Å; T1774-K2466 HydrophobicContact CG2-CB 3.78Å; T1774-K2466 HydrophobicContact CG2-CG 4.34Å; T1774-K2466 VanDerWaalsContact CG2-O 3.24Å; T1774-K2466 WeakPolarHBondContact CG2-O 3.38Å; T1774-K2466 WeakPolarHBondContact OG1-CB 3.17Å; T1774-K2466 PolarHBondContact OG1-O 3.45Å; T1774-N2467 PolarHBondContact OG1-OD1 3.46Å; T1774-N2467 VanDerWaalsContact OG1-OD1 3.11Å
1775R29.6Very low47.9Very low110 Ų11087.1 Ų87.142%0.41545%0.452SS..  trans-119.6131.9164.4-77.4-176.9155.7-154-18110.2A1773 D1788A1773-R1775 PolarHBondContact O-N 2.79Å; R1775-D1788 IonicContact CZ-OD1 3.67Å; R1775-D1788 IonicContact CZ-OD2 2.72Å; R1775-D1788 IonicContact NH1-OD1 3.88Å; R1775-D1788 PolarHBondContact NH1-OD1 3.33Å; R1775-D1788 IonicContact NH1-OD2 2.75Å; R1775-D1788 PolarHBondContact NH1-OD2 2.89Å; R1775-D1788 IonicContact NH2-OD1 3.51Å; R1775-D1788 IonicContact NH2-OD2 2.74Å; R1775-D1788 PolarHBondContact NH2-OD2 3.42Å
1776H34.2Very low48.2Very low157 Ų15791.1 Ų91.173%0.72746%0.457SS*.  trans-65.4155.4-176.5-80.4-125.1000111.1S1778 W1779H1776-S1778 PolarHBondContact O-N 2.91Å; H1776-W1779 PolarHBondContact O-N 3.27Å
1777R38.6Very low48.5Very low251 Ų25189.9 Ų89.995%0.94745%0.446SS*.THydrogen-bonded Turntrans-59.30.8-169.8-74.8179.9166178.5-6116.7
1778S44.2Very low49.2Very low60 Ų6089.9 Ų89.942%0.4244%0.439SS..THydrogen-bonded Turntrans-107-18.2-177.844.60000114.8H1776H1776-S1778 PolarHBondContact O-N 2.91Å
1779W45.2Very low50.2Low120 Ų12088.6 Ų88.646%0.45542%0.424SS..  trans-97117.9-170.2-67.417.3000111.9H1776 H1790H1776-W1779 PolarHBondContact O-N 3.27Å; W1779-H1790 AromaticContact CE2-NE2 3.84Å; W1779-H1790 AromaticContact NE1-CD2 3.94Å; W1779-H1790 AromaticContact NE1-NE2 3.85Å
1780I63.4Low51.2Low28 Ų2885 Ų8514%0.14440%0.404CS..EExtended strand (participates in β ladder)trans-121.4131.2-177.1-59162.5000109.2F1760 Y1763 R1764 I1789F1760-I1780 HydrophobicContact CE1-CD1 3.71Å; F1760-I1780 HydrophobicContact CE2-CG2 3.86Å; F1760-I1780 HydrophobicContact CZ-CB 3.95Å; F1760-I1780 HydrophobicContact CZ-CD1 3.64Å; F1760-I1780 HydrophobicContact CZ-CG1 4.41Å; F1760-I1780 HydrophobicContact CZ-CG2 3.57Å; Y1763-I1780 HydrophobicContact CD1-CG2 4.27Å; Y1763-I1780 HydrophobicContact CE1-CG2 3.92Å; R1764-I1780 HydrophobicContact CB-CD1 4.31Å; R1764-I1780 HydrophobicContact CG-CD1 3.69Å; R1764-I1780 HydrophobicContact CG-CG1 4.44Å; I1780-I1789 PolarHBondContact N-O 2.83Å; I1780-I1789 VanDerWaalsContact N-O 3.08Å; I1780-I1789 WeakPolarHBondContact O-CA 3.24Å; I1780-I1789 WeakPolarHBondContact O-CB 3.15Å; I1780-I1789 WeakPolarHBondContact O-CG1 3.48Å; I1780-I1789 PolarHBondContact O-N 3.27Å
1781V66.9Low52.3Low48 Ų4876.8 Ų76.829%0.29137%0.374SS..EExtended strand (participates in β ladder)trans-78.7136.8-177.11790000110.3Y1763 R1786Y1763-V1781 WeakPolarHBondContact CE1-O 3.42Å; Y1763-V1781 PolarHBondContact OH-O 3.22Å; Y1763-V1781 VanDerWaalsContact OH-O 3.06Å; V1781-R1786 HydrophobicContact CG1-CB 3.85Å; V1781-R1786 HydrophobicContact CG1-CG 4.16Å
1782C77.4Confident53.8Low0 Ų074.3 Ų74.30%035%0.353CS..  trans-63.5127174.4177.10000110.8L1784 C1785 R1786 R1787 I1789C1782-L1784 VanDerWaalsContact C-N 3.27Å; C1782-L1784 PolarHBondContact O-N 3.15Å; C1782-C1785 PolarHBondContact SG-SG 3.49Å; C1782-R1786 VanDerWaalsContact O-CA 3.23Å; C1782-R1786 WeakPolarHBondContact O-CA 3.44Å; C1782-R1786 PolarHBondContact O-N 3.5Å; C1782-R1787 PolarHBondContact N-O 3.24Å; C1782-I1789 VanDerWaalsContact CA-CD1 3.46Å; C1782-I1789 HydrophobicContact CB-CD1 3.84Å; C1782-I1789 HydrophobicContact CB-CG1 4.01Å
1783P66Low54.8Low31 Ų3175 Ų7520%0.20135%0.35CS..THydrogen-bonded Turntrans-58.8-37.7-175.320.6-32.5000112.9V1579 I1580 Y1763V1579-P1783 HydrophobicContact CG2-CG 3.99Å; I1580-P1783 HydrophobicContact CD1-CG 4.21Å; I1580-P1783 HydrophobicContact CG1-CB 4.26Å; I1580-P1783 HydrophobicContact CG1-CG 3.68Å; Y1763-P1783 HydrophobicContact CD2-CB 4.23Å; Y1763-P1783 HydrophobicContact CE1-CB 4.46Å; Y1763-P1783 HydrophobicContact CE2-CB 3.79Å
1784L71.3Confident55.6Low98 Ų9878.6 Ų78.651%0.51337%0.372SS..THydrogen-bonded Turntrans-84.4-68.1179.3-141.977.7000112.1V1579 C1782V1579-L1784 HydrophobicContact CB-CB 4.31Å; V1579-L1784 HydrophobicContact CB-CD1 4.37Å; V1579-L1784 HydrophobicContact CB-CD2 4.49Å; V1579-L1784 HydrophobicContact CG1-CD2 4.18Å; V1579-L1784 HydrophobicContact CG2-CB 4.41Å; C1782-L1784 VanDerWaalsContact C-N 3.27Å; C1782-L1784 PolarHBondContact O-N 3.15Å
1785C73.2Confident56.3Low48 Ų4875.9 Ų75.932%0.32435%0.354SS..THydrogen-bonded Turntrans-88.7-4.1-169.774.40000115.9C1782 R1787C1782-C1785 PolarHBondContact SG-SG 3.49Å; C1785-R1787 PolarHBondContact O-N 3.49Å; C1785-R1787 VanDerWaalsContact O-N 3.12Å
1786R67.5Low56.7Low177 Ų17776.1 Ų76.167%0.66837%0.367SS*.  trans56.222.5178.7-56.9-177.5177.4-121.5-8.9116.8V1781 C1782V1781-R1786 HydrophobicContact CG1-CB 3.85Å; V1781-R1786 HydrophobicContact CG1-CG 4.16Å; C1782-R1786 VanDerWaalsContact O-CA 3.23Å; C1782-R1786 WeakPolarHBondContact O-CA 3.44Å; C1782-R1786 PolarHBondContact O-N 3.5Å
1787R61.3Low56.9Low117 Ų11771.6 Ų71.644%0.44235%0.352SS..  trans-72.5152.9164.1-71-173.6-174.2167.75.2110.9M1597 C1751 C1782 C1785 I1789M1597-R1787 HydrophobicContact SD-CB 3.77Å; M1597-R1787 HydrophobicContact SD-CG 4.33Å; C1751-R1787 HydrophobicContact CB-CB 4.43Å; C1782-R1787 PolarHBondContact N-O 3.24Å; C1785-R1787 PolarHBondContact O-N 3.49Å; C1785-R1787 VanDerWaalsContact O-N 3.12Å; R1787-I1789 PolarHBondContact O-N 3.02Å
1788D61.4Low56.5Low33 Ų3366.5 Ų66.518%0.17634%0.343CS..EExtended strand (participates in β ladder)trans-82.9107.1-178.2-69.3-36.8000110.4M1597 R1775 H1790M1597-D1788 VanDerWaalsContact CB-O 3.26Å; M1597-D1788 WeakPolarHBondContact CB-O 3.41Å; M1597-D1788 WeakPolarHBondContact CG-O 3.23Å; R1775-D1788 IonicContact CZ-OD1 3.67Å; R1775-D1788 IonicContact CZ-OD2 2.72Å; R1775-D1788 IonicContact NH1-OD1 3.88Å; R1775-D1788 PolarHBondContact NH1-OD1 3.33Å; R1775-D1788 IonicContact NH1-OD2 2.75Å; R1775-D1788 PolarHBondContact NH1-OD2 2.89Å; R1775-D1788 IonicContact NH2-OD1 3.51Å; R1775-D1788 IonicContact NH2-OD2 2.74Å; R1775-D1788 PolarHBondContact NH2-OD2 3.42Å; D1788-H1790 PolarHBondContact O-CE1 3.05Å; D1788-H1790 VanDerWaalsContact O-CE1 3.25Å; D1788-H1790 PolarHBondContact O-ND1 3.18Å
1789I60.3Low55.7Low6 Ų669.3 Ų69.33%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-76.1133.3176.4-53158.3000108.7L1595 D1596 F1760 I1780 C1782 R1787 H1791L1595-I1789 HydrophobicContact CB-CD1 4.05Å; L1595-I1789 HydrophobicContact CB-CG1 4.17Å; L1595-I1789 HydrophobicContact CD1-CD1 3.98Å; L1595-I1789 HydrophobicContact CD2-CD1 3.8Å; L1595-I1789 HydrophobicContact CD2-CG2 4.43Å; L1595-I1789 HydrophobicContact CG-CD1 4.15Å; D1596-I1789 CarbonylContact O-C 3.56Å; D1596-I1789 WeakPolarHBondContact O-CA 3.48Å; D1596-I1789 WeakPolarHBondContact O-CG2 3.49Å; F1760-I1789 HydrophobicContact CE2-CD1 3.68Å; F1760-I1789 HydrophobicContact CZ-CD1 4.12Å; F1760-I1789 HydrophobicContact CZ-CG2 4.48Å; I1780-I1789 PolarHBondContact N-O 2.83Å; I1780-I1789 VanDerWaalsContact N-O 3.08Å; I1780-I1789 WeakPolarHBondContact O-CA 3.24Å; I1780-I1789 WeakPolarHBondContact O-CB 3.15Å; I1780-I1789 WeakPolarHBondContact O-CG1 3.48Å; I1780-I1789 PolarHBondContact O-N 3.27Å; C1782-I1789 VanDerWaalsContact CA-CD1 3.46Å; C1782-I1789 HydrophobicContact CB-CD1 3.84Å; C1782-I1789 HydrophobicContact CB-CG1 4.01Å; R1787-I1789 PolarHBondContact O-N 3.02Å; I1789-H1791 WeakPolarHBondContact CG2-O 3.46Å
1790H60.5Low54.9Low43 Ų4371.4 Ų71.420%0.19937%0.372CS..  trans-108.7-38.8177.3-64.366.6000110.8D1596 I1598 W1779 D1788D1596-H1790 PolarHBondContact O-N 3.32Å; I1598-H1790 HydrophobicContact CB-CB 4.24Å; I1598-H1790 HydrophobicContact CD1-CB 4.42Å; I1598-H1790 HydrophobicContact CG1-CB 4.15Å; I1598-H1790 PolarHBondContact N-ND1 3.1Å; I1598-H1790 PolarHBondContact O-CE1 3.43Å; W1779-H1790 AromaticContact CE2-NE2 3.84Å; W1779-H1790 AromaticContact NE1-CD2 3.94Å; W1779-H1790 AromaticContact NE1-NE2 3.85Å; D1788-H1790 PolarHBondContact O-CE1 3.05Å; D1788-H1790 VanDerWaalsContact O-CE1 3.25Å; D1788-H1790 PolarHBondContact O-ND1 3.18Å
1791H56.1Low53.2Low42 Ų4276.3 Ų76.319%0.19441%0.409CS..EExtended strand (participates in β ladder)trans-142.3169.8-175.6-69.1-85.3000112.8D1596 I1598 I1789 E1866D1596-H1791 PolarHBondContact N-O 2.84Å; D1596-H1791 VanDerWaalsContact N-O 3.13Å; D1596-H1791 PolarHBondContact O-N 2.73Å; I1598-H1791 VanDerWaalsContact CD1-CD2 3.49Å; I1598-H1791 WeakPolarHBondContact CD1-CD2 3.38Å; I1789-H1791 WeakPolarHBondContact CG2-O 3.46Å; H1791-E1866 IonicContact ND1-OE1 3.61Å; H1791-E1866 PolarHBondContact ND1-OE1 2.78Å
1792L61.2Low51.4Low41 Ų4177.1 Ų77.122%0.21543%0.427CS..EExtended strand (participates in β ladder)trans-120.2118.6179.1-63.2174.3000109.8V1593 L1595 F1760V1593-L1792 HydrophobicContact CB-CB 4.23Å; V1593-L1792 HydrophobicContact CG2-CB 4.36Å; V1593-L1792 HydrophobicContact CG2-CD1 4.35Å; V1593-L1792 HydrophobicContact CG2-CD2 3.97Å; V1593-L1792 HydrophobicContact CG2-CG 4.46Å; L1595-L1792 HydrophobicContact CD2-CD2 3.45Å; L1595-L1792 VanDerWaalsContact CD2-CD2 3.45Å; F1760-L1792 HydrophobicContact CD1-CD1 3.58Å; F1760-L1792 HydrophobicContact CD1-CD2 3.74Å; F1760-L1792 HydrophobicContact CD1-CG 4.2Å; F1760-L1792 HydrophobicContact CD2-CD2 4.43Å; F1760-L1792 HydrophobicContact CE1-CD1 3.8Å; F1760-L1792 HydrophobicContact CE1-CD2 3.67Å; F1760-L1792 HydrophobicContact CE1-CG 4.08Å; F1760-L1792 HydrophobicContact CE2-CD2 4.39Å; F1760-L1792 HydrophobicContact CG-CD1 4.48Å; F1760-L1792 HydrophobicContact CG-CD2 4.1Å; F1760-L1792 HydrophobicContact CZ-CD2 3.99Å
1793L52.1Low49.2Very low62 Ų6284.1 Ų84.133%0.32547%0.47SS..EExtended strand (participates in β ladder)trans-94.1118176.2-75.3170.4000109.9V1593 L1594 D1596 T1750V1593-L1793 CarbonylContact C-O 3.59Å; V1593-L1793 WeakPolarHBondContact CA-O 3.39Å; L1594-L1793 HydrophobicContact CB-CB 4.2Å; L1594-L1793 HydrophobicContact CD2-CD1 4.45Å; L1594-L1793 PolarHBondContact N-O 2.95Å; L1594-L1793 PolarHBondContact O-N 3.08Å; D1596-L1793 HydrophobicContact CB-CD1 3.92Å; D1596-L1793 HydrophobicContact CB-CG 4.14Å; T1750-L1793 HydrophobicContact CG2-CD1 3.97Å
1794P44.6Very low47.4Very low93 Ų9393.4 Ų93.460%0.60451%0.508SS*.EExtended strand (participates in β ladder)trans-66.7135.717527.6-33.5000111.4V1796P1794-V1796 PolarHBondContact O-N 3.48Å
1795L47.6Very low45.2Very low29 Ų2992.1 Ų92.115%0.15252%0.518CS..  trans-81.6112175.3-76.2-177.9000110.9Y1576 P1587 M1592 L1594 V1754Y1576-L1795 HydrophobicContact CD1-CD1 3.98Å; Y1576-L1795 HydrophobicContact CD2-CD1 3.99Å; Y1576-L1795 HydrophobicContact CE1-CD1 4.19Å; Y1576-L1795 HydrophobicContact CE2-CD1 4.21Å; Y1576-L1795 HydrophobicContact CG-CD1 3.87Å; P1587-L1795 HydrophobicContact CB-CB 3.95Å; P1587-L1795 VanDerWaalsContact CB-O 3.32Å; P1587-L1795 WeakPolarHBondContact CB-O 3.41Å; P1587-L1795 HydrophobicContact CG-CB 4.33Å; M1592-L1795 HydrophobicContact CB-CD1 4.31Å; M1592-L1795 PolarHBondContact O-N 3.5Å; M1592-L1795 VanDerWaalsContact O-N 3.14Å; L1594-L1795 HydrophobicContact CB-CD2 4.19Å; L1594-L1795 HydrophobicContact CB-CG 4.4Å; V1754-L1795 HydrophobicContact CB-CD1 4.41Å; V1754-L1795 HydrophobicContact CG1-CD1 3.43Å; V1754-L1795 VanDerWaalsContact CG1-CD1 3.43Å; V1754-L1795 HydrophobicContact CG1-CG 4.37Å; V1754-L1795 HydrophobicContact CG2-CD1 3.99Å
1796V38.2Very low42.9Very low114 Ų11497.8 Ų97.869%0.69155%0.545SS*.PPolyproline II helixtrans-90.3128.5174-174.70000109.7P1794P1794-V1796 PolarHBondContact O-N 3.48Å
1797P37.1Very low41Very low62 Ų6299.2 Ų99.240%0.40356%0.556SS.*PPolyproline II helixtrans-63134.8172.2-18.930.4000111.6P1587 P1799P1587-P1797 HydrophobicContact CB-CG 4.22Å; P1797-P1799 WeakPolarHBondContact O-CD 3.36Å
1798L30.7Very low39.3Very low145 Ų145102.7 Ų102.776%0.75958%0.577SS**PPolyproline II helixtrans-69.7124.4172.2-76.7165.9000110.3K1800L1798-K1800 PolarHBondContact O-N 3.11Å
1799P27.6Very low37.6Very low119 Ų119110.1 Ų110.177%0.77361%0.611SS**PPolyproline II helixtrans-64131171.6-20.132.9000110.6P1797 S1801P1797-P1799 WeakPolarHBondContact O-CD 3.36Å; P1799-S1801 PolarHBondContact O-N 3.3Å
1800K28.9Very low35.9Very low164 Ų164117.2 Ų117.271%0.71365%0.648SS**PPolyproline II helixtrans-67.9126.8173.5-71.9171.9-174.8159.10109.4E1573 L1798 G1802E1573-K1800 WeakPolarHBondContact OE1-CE 3.21Å; E1573-K1800 IonicContact OE1-NZ 2.63Å; E1573-K1800 PolarHBondContact OE1-NZ 3.49Å; L1798-K1800 PolarHBondContact O-N 3.11Å; K1800-G1802 PolarHBondContact O-N 3.32Å; K1800-G1802 VanDerWaalsContact O-N 3.1Å
1801S28.1Very low34.2Very low130 Ų130122.8 Ų122.891%0.90967%0.672SS**SBendtrans-70.8102.3178.153.70000110.9P1799P1799-S1801 PolarHBondContact O-N 3.3Å
1802G28.3Very low32.7Very low65 Ų65126.1 Ų126.167%0.6770%0.697SS**SBendtrans13073.716500000116.4K1800K1800-G1802 PolarHBondContact O-N 3.32Å; K1800-G1802 VanDerWaalsContact O-N 3.1Å
1803T30.8Very low31.3Very low148 Ų148128.5 Ų128.591%0.90872%0.717SS**  -178.2129.4129.620.20000110
1804F27.8Very low30.3Very low226 Ų226129.4 Ų129.499%0.99173%0.725SS**  trans-87.7131.3172-97.1-99.3000109.8
1805G25.8Very low29.8Very low71 Ų71131.5 Ų131.573%0.73273%0.727SS**  trans-173.368.4-174.700000115.7K1807G1805-K1807 PolarHBondContact O-N 3.22Å
1806N25.8Very low29.1Very low166 Ų166137 Ų13789%0.88875%0.747SS**  trans36.174.9157.5-66.4-3.6000119.1
1807K26.8Very low29Very low208 Ų208133.1 Ų133.190%0.90473%0.73SS**  trans-137.4105.5137.9-78.7-163.2176.4-177.40110.3G1805G1805-K1807 PolarHBondContact O-N 3.22Å
1808Q24.9Very low29Very low189 Ų189134.6 Ų134.688%0.88373%0.731SS**  trans-77.4168.1164.6-71.6175.3-33.700110
1809Q25.5Very low29.5Very low189 Ų189133.5 Ų133.588%0.88372%0.722SS**  trans65.183.6178.9-56.4-178.2-9.700115.9
1810L25Very low30.1Very low155 Ų155129.8 Ų129.881%0.81270%0.696SS**SBendtrans-161.512.8149.7-115.3167.4000117
1811F24.5Very low30.7Very low161 Ų161124.5 Ų124.571%0.70668%0.675SS**  trans-141.282.8173.5-78.7-71.3000113.4S1813F1811-S1813 PolarHBondContact O-N 2.92Å
1812P25.2Very low31.4Very low112 Ų112120.4 Ų120.473%0.72765%0.649SS**Hα-helixtrans-73.8-18.4-177.5-19.333.6000115.7Y1816P1812-Y1816 WeakPolarHBondContact O-CB 3.4Å
1813S32.2Very low32.1Very low90 Ų90120.3 Ų120.363%0.62963%0.632SS**Hα-helixtrans-85.9-28.5-16253.10000116.1F1811 G1817F1811-S1813 PolarHBondContact O-N 2.92Å; S1813-G1817 PolarHBondContact O-N 3.44Å
1814V32Very low32.4Very low82 Ų82117.1 Ų117.150%0.49761%0.609SS.*Hα-helixtrans-85.8-45.2-171.8-177.50000112.1G1817 Q1818V1814-G1817 PolarHBondContact O-N 3.47Å; V1814-Q1818 PolarHBondContact O-N 3.46Å; V1814-Q1818 VanDerWaalsContact O-N 3.08Å
1815E32.1Very low33Very low137 Ų137108.2 Ų108.264%0.6457%0.571SS**Hα-helixtrans-66.2-40.2178.1-66.6-172.7125.100111.6G1817 Q1818 Q1819E1815-G1817 VanDerWaalsContact C-N 3.32Å; E1815-G1817 PolarHBondContact O-N 3.15Å; E1815-Q1818 PolarHBondContact O-N 2.99Å; E1815-Q1819 WeakPolarHBondContact O-CB 3.48Å; E1815-Q1819 WeakPolarHBondContact O-CG 3.17Å; E1815-Q1819 PolarHBondContact O-N 2.93Å
1816Y33.5Very low33.9Very low144 Ų144108.2 Ų108.257%0.56556%0.56SS**Hα-helixtrans-61.7-39.6176.8-136.4-102.3000111.9P1812 N1820P1812-Y1816 WeakPolarHBondContact O-CB 3.4Å; Y1816-N1820 WeakPolarHBondContact CD1-ND2 3.42Å; Y1816-N1820 VanDerWaalsContact O-CB 3.28Å; Y1816-N1820 WeakPolarHBondContact O-CB 3.47Å; Y1816-N1820 VanDerWaalsContact O-CG 3.3Å; Y1816-N1820 PolarHBondContact O-N 2.99Å; Y1816-N1820 PolarHBondContact O-ND2 3.35Å; Y1816-N1820 VanDerWaalsContact O-ND2 3.15Å
1817G35.8Very low34.4Very low32 Ų32103.9 Ų103.933%0.3353%0.532SS..Hα-helixtrans-64.3-44.4173.600000112.8S1813 V1814 E1815 I1821S1813-G1817 PolarHBondContact O-N 3.44Å; V1814-G1817 PolarHBondContact O-N 3.47Å; E1815-G1817 VanDerWaalsContact C-N 3.32Å; E1815-G1817 PolarHBondContact O-N 3.15Å; G1817-I1821 VanDerWaalsContact O-CG1 3.27Å; G1817-I1821 WeakPolarHBondContact O-CG1 3.42Å; G1817-I1821 PolarHBondContact O-N 3.45Å; G1817-I1821 VanDerWaalsContact O-N 3.1Å
1818Q37.5Very low34.9Very low93 Ų9398.5 Ų98.544%0.43551%0.512SS..Hα-helixtrans-69-42.1178.5-69-173.415.400112.6P1732 V1814 E1815 I1821 A1822P1732-Q1818 HydrophobicContact CB-CG 4.25Å; V1814-Q1818 PolarHBondContact O-N 3.46Å; V1814-Q1818 VanDerWaalsContact O-N 3.08Å; E1815-Q1818 PolarHBondContact O-N 2.99Å; Q1818-I1821 PolarHBondContact O-N 2.79Å; Q1818-A1822 VanDerWaalsContact O-CB 3.22Å; Q1818-A1822 WeakPolarHBondContact O-CB 3.4Å; Q1818-A1822 PolarHBondContact O-N 3.19Å
1819Q42.3Very low35.6Very low123 Ų12396.2 Ų96.258%0.57551%0.506SS*.Hα-helixtrans-64.8-43.1176.7-72.7-179.32.400111.6E1815 A1822 M1823E1815-Q1819 WeakPolarHBondContact O-CB 3.48Å; E1815-Q1819 WeakPolarHBondContact O-CG 3.17Å; E1815-Q1819 PolarHBondContact O-N 2.93Å; Q1819-A1822 PolarHBondContact O-N 3.34Å; Q1819-M1823 WeakPolarHBondContact O-CB 3.39Å; Q1819-M1823 PolarHBondContact O-N 3.43Å
1820N40.2Very low36.2Very low41 Ų4191.4 Ų91.422%0.21949%0.493CS..Hα-helixtrans-65.6-40177.2-76.8-31.9000112.5Y1816 L1824Y1816-N1820 WeakPolarHBondContact CD1-ND2 3.42Å; Y1816-N1820 VanDerWaalsContact O-CB 3.28Å; Y1816-N1820 WeakPolarHBondContact O-CB 3.47Å; Y1816-N1820 VanDerWaalsContact O-CG 3.3Å; Y1816-N1820 PolarHBondContact O-N 2.99Å; Y1816-N1820 PolarHBondContact O-ND2 3.35Å; Y1816-N1820 VanDerWaalsContact O-ND2 3.15Å; N1820-L1824 VanDerWaalsContact O-CB 3.26Å; N1820-L1824 WeakPolarHBondContact O-CB 3.13Å; N1820-L1824 PolarHBondContact O-N 3.35Å
1821I40.6Very low36.5Very low52 Ų5288 Ų8827%0.26748%0.476SS..Hα-helixtrans-70.7-38.4176.3-63.4168.6000111.1L1734 I1735 G1817 Q1818 L1824 L1825L1734-I1821 HydrophobicContact CD2-CB 4.07Å; L1734-I1821 HydrophobicContact CD2-CG2 3.63Å; L1734-I1821 HydrophobicContact CG-CG2 3.99Å; I1735-I1821 HydrophobicContact CD1-CD1 3.91Å; I1735-I1821 HydrophobicContact CG1-CD1 4.01Å; G1817-I1821 VanDerWaalsContact O-CG1 3.27Å; G1817-I1821 WeakPolarHBondContact O-CG1 3.42Å; G1817-I1821 PolarHBondContact O-N 3.45Å; G1817-I1821 VanDerWaalsContact O-N 3.1Å; Q1818-I1821 PolarHBondContact O-N 2.79Å; I1821-L1824 PolarHBondContact O-N 2.94Å; I1821-L1825 HydrophobicContact CG2-CD1 3.97Å; I1821-L1825 WeakPolarHBondContact O-CB 3.44Å; I1821-L1825 WeakPolarHBondContact O-CG 3.2Å; I1821-L1825 PolarHBondContact O-N 3.31Å
1822A42.2Very low36.9Very low45 Ų4584.5 Ų84.537%0.37247%0.471SS..Hα-helixtrans-67.1-40175.700000112.5L1734 Q1818 Q1819 L1825 S1826L1734-A1822 HydrophobicContact CD2-CB 4.1Å; Q1818-A1822 VanDerWaalsContact O-CB 3.22Å; Q1818-A1822 WeakPolarHBondContact O-CB 3.4Å; Q1818-A1822 PolarHBondContact O-N 3.19Å; Q1819-A1822 PolarHBondContact O-N 3.34Å; A1822-L1825 PolarHBondContact O-N 3.42Å; A1822-S1826 PolarHBondContact O-N 3Å; A1822-S1826 PolarHBondContact O-OG 3.48Å
1823M43.5Very low37.4Very low62 Ų6287.5 Ų87.531%0.30548%0.481SS..Hα-helixtrans-68.8-34.7174.2179.7169.855.700112.1Q1819 S1826 R1827Q1819-M1823 WeakPolarHBondContact O-CB 3.39Å; Q1819-M1823 PolarHBondContact O-N 3.43Å; M1823-S1826 PolarHBondContact O-OG 3.23Å; M1823-R1827 HydrophobicContact CG-CG 4.5Å; M1823-R1827 VanDerWaalsContact O-CB 3.27Å; M1823-R1827 WeakPolarHBondContact O-CB 3.32Å; M1823-R1827 VanDerWaalsContact O-CG 3.31Å; M1823-R1827 WeakPolarHBondContact O-CG 3.48Å; M1823-R1827 PolarHBondContact O-N 2.87Å; M1823-R1827 VanDerWaalsContact O-N 3.09Å
1824L36.9Very low37.2Very low81 Ų8188.6 Ų88.642%0.42448%0.484SS..Hα-helixtrans-64.2-47.6171.4-172.174.7000110.5N1820 I1821 R1827 L1828 L1856N1820-L1824 VanDerWaalsContact O-CB 3.26Å; N1820-L1824 WeakPolarHBondContact O-CB 3.13Å; N1820-L1824 PolarHBondContact O-N 3.35Å; I1821-L1824 PolarHBondContact O-N 2.94Å; L1824-R1827 PolarHBondContact O-N 3.13Å; L1824-L1828 HydrophobicContact CD1-CD1 4.49Å; L1824-L1828 HydrophobicContact CD2-CD1 4.45Å; L1824-L1828 HydrophobicContact CG-CD1 3.92Å; L1824-L1828 HydrophobicContact CG-CG 4.5Å; L1824-L1828 VanDerWaalsContact O-CB 3.31Å; L1824-L1828 WeakPolarHBondContact O-CB 3.29Å; L1824-L1828 VanDerWaalsContact O-CG 3.23Å; L1824-L1828 WeakPolarHBondContact O-CG 3.23Å; L1824-L1828 PolarHBondContact O-N 2.88Å; L1824-L1856 HydrophobicContact CD1-CD2 4.04Å
1825L41.3Very low37.1Very low39 Ų3988.4 Ų88.420%0.20450%0.498CS..Hα-helixtrans-65.6-41.7179.6-75.8163.7000113L1734 T1738 I1821 A1822 L1828 N1829L1734-L1825 HydrophobicContact CD1-CD1 3.64Å; L1734-L1825 HydrophobicContact CD2-CD1 3.99Å; L1734-L1825 HydrophobicContact CG-CD1 3.7Å; T1738-L1825 HydrophobicContact CG2-CD1 3.9Å; T1738-L1825 HydrophobicContact CG2-CD2 4.01Å; I1821-L1825 HydrophobicContact CG2-CD1 3.97Å; I1821-L1825 WeakPolarHBondContact O-CB 3.44Å; I1821-L1825 WeakPolarHBondContact O-CG 3.2Å; I1821-L1825 PolarHBondContact O-N 3.31Å; A1822-L1825 PolarHBondContact O-N 3.42Å; L1825-L1828 PolarHBondContact O-N 3.47Å; L1825-N1829 WeakPolarHBondContact O-CB 3.34Å; L1825-N1829 VanDerWaalsContact O-CG 3.25Å; L1825-N1829 PolarHBondContact O-N 3.28Å; L1825-N1829 PolarHBondContact O-ND2 3.23Å
1826S43.6Very low36.8Very low72 Ų7285.3 Ų85.350%0.50349%0.492SS..Hα-helixtrans-69.3-36.2177.768.10000112.6A1822 M1823 S1830A1822-S1826 PolarHBondContact O-N 3Å; A1822-S1826 PolarHBondContact O-OG 3.48Å; M1823-S1826 PolarHBondContact O-OG 3.23Å; S1826-S1830 WeakPolarHBondContact O-CB 3.46Å; S1826-S1830 PolarHBondContact O-N 3.37Å; S1826-S1830 PolarHBondContact O-OG 2.7Å
1827R37.2Very low37Very low75 Ų7580.6 Ų80.628%0.28348%0.478SS..Hα-helixtrans-78-21.2175-69.2-179.6174.7178.31.1113.9M1823 L1824 S1830M1823-R1827 HydrophobicContact CG-CG 4.5Å; M1823-R1827 VanDerWaalsContact O-CB 3.27Å; M1823-R1827 WeakPolarHBondContact O-CB 3.32Å; M1823-R1827 VanDerWaalsContact O-CG 3.31Å; M1823-R1827 WeakPolarHBondContact O-CG 3.48Å; M1823-R1827 PolarHBondContact O-N 2.87Å; M1823-R1827 VanDerWaalsContact O-N 3.09Å; L1824-R1827 PolarHBondContact O-N 3.13Å; R1827-S1830 PolarHBondContact O-OG 3.01Å
1828L36.5Very low37Very low95 Ų9582.9 Ų82.950%0.49748%0.479SS..Hα-helixtrans-76.6-44.8169.9-79.2169.6000111.1L1824 L1825 S1830 L1831L1824-L1828 HydrophobicContact CD1-CD1 4.49Å; L1824-L1828 HydrophobicContact CD2-CD1 4.45Å; L1824-L1828 HydrophobicContact CG-CD1 3.92Å; L1824-L1828 HydrophobicContact CG-CG 4.5Å; L1824-L1828 VanDerWaalsContact O-CB 3.31Å; L1824-L1828 WeakPolarHBondContact O-CB 3.29Å; L1824-L1828 VanDerWaalsContact O-CG 3.23Å; L1824-L1828 WeakPolarHBondContact O-CG 3.23Å; L1824-L1828 PolarHBondContact O-N 2.88Å; L1825-L1828 PolarHBondContact O-N 3.47Å; L1828-S1830 PolarHBondContact O-N 3.15Å; L1828-S1830 VanDerWaalsContact O-N 3.13Å; L1828-L1831 HydrophobicContact CD2-CD1 4.4Å; L1828-L1831 PolarHBondContact O-N 3.02Å
1829N41.1Very low37Very low141 Ų14182 Ų8275%0.75447%0.472SS*.THydrogen-bonded Turntrans-71.1-1.6178.3-68.3-12.3000113.9L1825L1825-N1829 WeakPolarHBondContact O-CB 3.34Å; L1825-N1829 VanDerWaalsContact O-CG 3.25Å; L1825-N1829 PolarHBondContact O-N 3.28Å; L1825-N1829 PolarHBondContact O-ND2 3.23Å
1830S37.5Very low36.7Very low88 Ų8880.5 Ų80.562%0.61547%0.468SS*.THydrogen-bonded Turntrans-108.410.4177.674.50000114S1826 R1827 L1828S1826-S1830 WeakPolarHBondContact O-CB 3.46Å; S1826-S1830 PolarHBondContact O-N 3.37Å; S1826-S1830 PolarHBondContact O-OG 2.7Å; R1827-S1830 PolarHBondContact O-OG 3.01Å; L1828-S1830 PolarHBondContact O-N 3.15Å; L1828-S1830 VanDerWaalsContact O-N 3.13Å
1831L31.1Very low36.6Very low84 Ų8481.7 Ų81.744%0.4447%0.474SS..SBendtrans-89.9133.6174.7-66.7168.7000109.8L1828L1828-L1831 HydrophobicContact CD2-CD1 4.4Å; L1828-L1831 PolarHBondContact O-N 3.02Å
1832S33.1Very low36.3Very low86 Ų8680.2 Ų80.260%0.60147%0.467SS*.  trans-81.3139.3-174.756.80000113.3T1834S1832-T1834 PolarHBondContact O-N 2.97Å
1833D34.6Very low35.8Very low175 Ų17582 Ų8294%0.93647%0.47SS*.SBendtrans-61-14.3178.8-59.6-52.5000114.9G1835D1833-G1835 PolarHBondContact O-N 3.44Å
1834T29Very low35Very low114 Ų11483.1 Ų83.170%0.69948%0.483SS*.SBendtrans-88.198.9178.952.60000111.1S1832 S1836S1832-T1834 PolarHBondContact O-N 2.97Å; T1834-S1836 PolarHBondContact O-N 2.81Å
1835G29Very low34.7Very low77 Ų7783.1 Ų83.179%0.79449%0.49SS*.PPolyproline II helixtrans-66.9118.4-165.200000117.4D1833D1833-G1835 PolarHBondContact O-N 3.44Å
1836S27Very low34.1Very low73 Ų7391 Ų9151%0.5153%0.526SS..PPolyproline II helixtrans-101.3159.3140.253.90000109.4T1834T1834-S1836 PolarHBondContact O-N 2.81Å
1837T36.3Very low33.6Very low45 Ų4592.1 Ų92.128%0.27653%0.526SS..PPolyproline II helixtrans-78.9132.4178.9440000111.8W1839 N1840T1837-W1839 PolarHBondContact O-N 2.78Å; T1837-N1840 WeakPolarHBondContact O-CB 3.37Å; T1837-N1840 PolarHBondContact O-N 3.02Å
1838F37.2Very low33.3Very low79 Ų7996.3 Ų96.335%0.34655%0.549SS..Hα-helixtrans-36.4-35175.5-177.7-110.6000116.6L1842 Y1904 I1908F1838-L1842 HydrophobicContact CD1-CD1 3.95Å; F1838-L1842 HydrophobicContact CE1-CD1 3.45Å; F1838-L1842 VanDerWaalsContact CE1-CD1 3.45Å; F1838-L1842 HydrophobicContact CE2-CD1 4.43Å; F1838-L1842 HydrophobicContact CZ-CD1 3.73Å; F1838-L1842 PolarHBondContact O-N 3.41Å; F1838-Y1904 HydrophobicContact CB-CE1 4.45Å; F1838-Y1904 WeakPolarHBondContact CB-OH 3.43Å; F1838-Y1904 VanDerWaalsContact CD2-OH 3.23Å; F1838-Y1904 WeakPolarHBondContact CD2-OH 3.18Å; F1838-Y1904 WeakPolarHBondContact CG-OH 3.49Å; F1838-I1908 HydrophobicContact CB-CD1 4.09Å
1839W36.9Very low33.3Very low74 Ų7495.6 Ų95.628%0.2855%0.545SS..Hα-helixtrans-82.3-10-179.1-5998.9000115T1837 L1842 N1843 I1908T1837-W1839 PolarHBondContact O-N 2.78Å; W1839-L1842 HydrophobicContact CE3-CB 4.41Å; W1839-L1842 HydrophobicContact CE3-CD1 3.89Å; W1839-L1842 HydrophobicContact CZ3-CD1 3.93Å; W1839-N1843 WeakPolarHBondContact O-CB 3.31Å; W1839-N1843 PolarHBondContact O-N 3.26Å; W1839-N1843 PolarHBondContact O-ND2 3.36Å; W1839-I1908 VanDerWaalsContact CD1-CG2 3.43Å
1840N36.8Very low33.1Very low92 Ų9289.3 Ų89.349%0.49251%0.511SS..Hα-helixtrans-73.1-47.6167.1-70.40.4000109.2T1837 L1842 N1843 C1844T1837-N1840 WeakPolarHBondContact O-CB 3.37Å; T1837-N1840 PolarHBondContact O-N 3.02Å; N1840-L1842 PolarHBondContact O-N 3.02Å; N1840-N1843 CarbonylContact O-C 3.04Å; N1840-N1843 PolarHBondContact O-N 3Å; N1840-C1844 WeakPolarHBondContact O-CB 3.33Å; N1840-C1844 PolarHBondContact O-N 3.16Å; N1840-C1844 VanDerWaalsContact O-N 3.08Å
1841D38.2Very low33.4Very low67 Ų6789.2 Ų89.236%0.35851%0.507SS..Hα-helixtrans-66.2-19.5-179.8-57.12.9000113.2N1850D1841-N1850 PolarHBondContact O-ND2 3.01Å; D1841-N1850 PolarHBondContact O-OD1 2.77Å
1842L33.1Very low33.8Very low21 Ų2189.3 Ų89.311%0.1151%0.505CS..THydrogen-bonded Turntrans-90-16.9173.8-99.6164.6000114.4F1838 W1839 N1840 R1853 R1854F1838-L1842 HydrophobicContact CD1-CD1 3.95Å; F1838-L1842 HydrophobicContact CE1-CD1 3.45Å; F1838-L1842 VanDerWaalsContact CE1-CD1 3.45Å; F1838-L1842 HydrophobicContact CE2-CD1 4.43Å; F1838-L1842 HydrophobicContact CZ-CD1 3.73Å; F1838-L1842 PolarHBondContact O-N 3.41Å; W1839-L1842 HydrophobicContact CE3-CB 4.41Å; W1839-L1842 HydrophobicContact CE3-CD1 3.89Å; W1839-L1842 HydrophobicContact CZ3-CD1 3.93Å; N1840-L1842 PolarHBondContact O-N 3.02Å; L1842-R1853 HydrophobicContact CD2-CB 4.47Å; L1842-R1854 HydrophobicContact CD2-CG 4.41Å; L1842-R1854 PolarHBondContact O-NH2 3.02Å
1843N32.1Very low34.2Very low82 Ų8289.5 Ų89.544%0.43949%0.493SS..SBendtrans-120.417.1-176.2-69.6-62.9000113.2W1839 N1840W1839-N1843 WeakPolarHBondContact O-CB 3.31Å; W1839-N1843 PolarHBondContact O-N 3.26Å; W1839-N1843 PolarHBondContact O-ND2 3.36Å; N1840-N1843 CarbonylContact O-C 3.04Å; N1840-N1843 PolarHBondContact O-N 3Å
1844C26.2Very low34.6Very low85 Ų8586.4 Ų86.457%0.57447%0.468SS*.SBendtrans-131.1136.2172.8-750000109.6N1840 N1850N1840-C1844 WeakPolarHBondContact O-CB 3.33Å; N1840-C1844 PolarHBondContact O-N 3.16Å; N1840-C1844 VanDerWaalsContact O-N 3.08Å; C1844-N1850 PolarHBondContact O-ND2 3Å
1845S30Very low35.2Very low82 Ų8284.8 Ų84.857%0.57345%0.454SS*.  trans55.6142.7-172.669.80000118.2D1847 N1850S1845-D1847 VanDerWaalsContact C-N 3.27Å; S1845-D1847 WeakPolarHBondContact CB-OD2 3.37Å; S1845-D1847 PolarHBondContact O-N 2.92Å; S1845-D1847 PolarHBondContact OG-OD2 2.8Å; S1845-N1850 PolarHBondContact O-ND2 3.08Å
1846E29.4Very low35.7Very low205 Ų20583.2 Ų83.296%0.95843%0.427SS*.  trans-90.737.8-173.1-61.3179.5143.900112.2
1847D33Very low36.2Very low94 Ų9485 Ų8550%0.50343%0.429SS..  trans-80.8145.4-176.7-60.8-71.9000112.6S1845 L1849 N1850S1845-D1847 VanDerWaalsContact C-N 3.27Å; S1845-D1847 WeakPolarHBondContact CB-OD2 3.37Å; S1845-D1847 PolarHBondContact O-N 2.92Å; S1845-D1847 PolarHBondContact OG-OD2 2.8Å; D1847-L1849 PolarHBondContact O-N 3.47Å; D1847-N1850 PolarHBondContact O-N 2.69Å
1848E32Very low36.2Very low164 Ų16486.4 Ų86.477%0.76644%0.441SS*.Hα-helixtrans-51.8-30.5-177.5-68.1-173.6113.800114.1N1850 V1851 Q1852E1848-N1850 PolarHBondContact O-N 3.21Å; E1848-V1851 PolarHBondContact O-N 2.7Å; E1848-V1851 VanDerWaalsContact O-N 3.12Å; E1848-Q1852 PolarHBondContact O-N 3.47Å
1849L35.1Very low36.2Very low80 Ų8087.8 Ų87.842%0.41945%0.448SS..Hα-helixtrans-56.8-36.1175.4-11179.2000112.5D1847 R1853D1847-L1849 PolarHBondContact O-N 3.47Å; L1849-R1853 WeakPolarHBondContact O-CB 3.18Å; L1849-R1853 WeakPolarHBondContact O-CD 3.39Å; L1849-R1853 VanDerWaalsContact O-CG 3.22Å; L1849-R1853 WeakPolarHBondContact O-CG 3.49Å; L1849-R1853 PolarHBondContact O-N 2.81Å
1850N38.2Very low36.1Very low8 Ų889.1 Ų89.14%0.04346%0.46CS..Hα-helixtrans-77.5-21.9-179.8-83.3-16.3000112.8D1841 C1844 S1845 D1847 E1848 R1853 R1854D1841-N1850 PolarHBondContact O-ND2 3.01Å; D1841-N1850 PolarHBondContact O-OD1 2.77Å; C1844-N1850 PolarHBondContact O-ND2 3Å; S1845-N1850 PolarHBondContact O-ND2 3.08Å; D1847-N1850 PolarHBondContact O-N 2.69Å; E1848-N1850 PolarHBondContact O-N 3.21Å; N1850-R1853 WeakPolarHBondContact OD1-CD 3.44Å; N1850-R1853 PolarHBondContact OD1-NH1 2.99Å; N1850-R1854 WeakPolarHBondContact O-CD 3.25Å; N1850-R1854 VanDerWaalsContact O-CG 3.26Å; N1850-R1854 WeakPolarHBondContact O-CG 3.41Å; N1850-R1854 PolarHBondContact O-N 3.19Å; N1850-R1854 PolarHBondContact O-NE 3.32Å
1851V43.1Very low36.1Very low86 Ų8688.4 Ų88.452%0.52146%0.455SS..Hα-helixtrans-74.3-48.3167.8-178.40000110.2E1848 R1853 R1854 I1855E1848-V1851 PolarHBondContact O-N 2.7Å; E1848-V1851 VanDerWaalsContact O-N 3.12Å; V1851-R1853 VanDerWaalsContact C-N 3.3Å; V1851-R1853 PolarHBondContact O-N 3Å; V1851-R1854 PolarHBondContact O-N 2.79Å; V1851-R1854 VanDerWaalsContact O-N 3.07Å; V1851-I1855 HydrophobicContact CG1-CD1 3.94Å; V1851-I1855 WeakPolarHBondContact O-CG1 3.23Å; V1851-I1855 PolarHBondContact O-N 3.08Å
1852Q40.6Very low35.7Very low87 Ų8786.3 Ų86.341%0.40745%0.45SS..Hα-helixtrans-56.8-41.1176-70.5-176.2-7.900112.7E1848 R1854 I1855 L1856E1848-Q1852 PolarHBondContact O-N 3.47Å; Q1852-R1854 VanDerWaalsContact C-N 3.32Å; Q1852-R1854 PolarHBondContact O-N 2.7Å; Q1852-I1855 PolarHBondContact O-N 3.18Å; Q1852-L1856 PolarHBondContact O-N 3.26Å
1853R40.8Very low35.5Very low90 Ų9089.3 Ų89.334%0.3447%0.472SS..Hα-helixtrans-61-36.9176.2-77.3163.8171172.1-5.4112.8L1842 L1849 N1850 V1851L1842-R1853 HydrophobicContact CD2-CB 4.47Å; L1849-R1853 WeakPolarHBondContact O-CB 3.18Å; L1849-R1853 WeakPolarHBondContact O-CD 3.39Å; L1849-R1853 VanDerWaalsContact O-CG 3.22Å; L1849-R1853 WeakPolarHBondContact O-CG 3.49Å; L1849-R1853 PolarHBondContact O-N 2.81Å; N1850-R1853 WeakPolarHBondContact OD1-CD 3.44Å; N1850-R1853 PolarHBondContact OD1-NH1 2.99Å; V1851-R1853 VanDerWaalsContact C-N 3.3Å; V1851-R1853 PolarHBondContact O-N 3Å
1854R42Very low35.4Very low109 Ų10990.3 Ų90.341%0.41148%0.478SS..Hα-helixtrans-72.2-43.1177-67167-159.6-158.41.9111.4L1842 N1850 V1851 Q1852 L1856 M1857 S1858L1842-R1854 HydrophobicContact CD2-CG 4.41Å; L1842-R1854 PolarHBondContact O-NH2 3.02Å; N1850-R1854 WeakPolarHBondContact O-CD 3.25Å; N1850-R1854 VanDerWaalsContact O-CG 3.26Å; N1850-R1854 WeakPolarHBondContact O-CG 3.41Å; N1850-R1854 PolarHBondContact O-N 3.19Å; N1850-R1854 PolarHBondContact O-NE 3.32Å; V1851-R1854 PolarHBondContact O-N 2.79Å; V1851-R1854 VanDerWaalsContact O-N 3.07Å; Q1852-R1854 VanDerWaalsContact C-N 3.32Å; Q1852-R1854 PolarHBondContact O-N 2.7Å; R1854-L1856 VanDerWaalsContact C-N 3.35Å; R1854-L1856 PolarHBondContact O-N 2.84Å; R1854-M1857 PolarHBondContact O-N 2.99Å; R1854-S1858 PolarHBondContact O-N 2.8Å
1855I41.7Very low35.9Very low81 Ų8195.8 Ų95.842%0.41549%0.488SS..Hα-helixtrans-60.3-42.4175.9-66.7169.3000111.3V1851 Q1852 M1857 S1858 Q1859V1851-I1855 HydrophobicContact CG1-CD1 3.94Å; V1851-I1855 WeakPolarHBondContact O-CG1 3.23Å; V1851-I1855 PolarHBondContact O-N 3.08Å; Q1852-I1855 PolarHBondContact O-N 3.18Å; I1855-M1857 VanDerWaalsContact C-N 3.27Å; I1855-M1857 PolarHBondContact O-N 2.77Å; I1855-S1858 PolarHBondContact O-N 2.73Å; I1855-S1858 PolarHBondContact O-OG 2.69Å; I1855-Q1859 HydrophobicContact CG2-CG 4.39Å; I1855-Q1859 WeakPolarHBondContact O-CG 3.31Å; I1855-Q1859 PolarHBondContact O-N 3.05Å
1856L40.3Very low36Very low44 Ų4496.5 Ų96.523%0.2348%0.482CS..Hα-helixtrans-63.3-33.7180-164.170.1000112.5L1824 Q1852 R1854 L1860L1824-L1856 HydrophobicContact CD1-CD2 4.04Å; Q1852-L1856 PolarHBondContact O-N 3.26Å; R1854-L1856 VanDerWaalsContact C-N 3.35Å; R1854-L1856 PolarHBondContact O-N 2.84Å; L1856-L1860 WeakPolarHBondContact O-CG 3.44Å; L1856-L1860 PolarHBondContact O-N 2.85Å
1857M36.6Very low36.2Very low109 Ų10989.8 Ų89.854%0.53746%0.462SS..Hα-helixtrans-77.1-35174.9-84.4-72.2156.800113.3R1854 I1855 Q1859 L1860 I1861R1854-M1857 PolarHBondContact O-N 2.99Å; I1855-M1857 VanDerWaalsContact C-N 3.27Å; I1855-M1857 PolarHBondContact O-N 2.77Å; M1857-Q1859 VanDerWaalsContact C-N 3.27Å; M1857-Q1859 PolarHBondContact O-N 2.86Å; M1857-L1860 HydrophobicContact CE-CD1 4.02Å; M1857-L1860 PolarHBondContact O-N 3.02Å; M1857-L1860 HydrophobicContact SD-CD1 4.36Å; M1857-I1861 WeakPolarHBondContact O-CG1 3.26Å; M1857-I1861 PolarHBondContact O-N 3.36Å
1858S37.9Very low36.4Very low76 Ų7688.7 Ų88.753%0.53146%0.459SS..Hα-helixtrans-66.4-32.6172.271.10000111.8R1854 I1855 G1862R1854-S1858 PolarHBondContact O-N 2.8Å; I1855-S1858 PolarHBondContact O-N 2.73Å; I1855-S1858 PolarHBondContact O-OG 2.69Å; S1858-G1862 WeakPolarHBondContact O-CA 3.43Å; S1858-G1862 PolarHBondContact O-N 2.94Å
1859Q37.1Very low36.7Very low107 Ų10785.8 Ų85.850%0.545%0.447SS..Hα-helixtrans-70.3-32.5174.1-72.2175.9-6.500113.8I1855 M1857I1855-Q1859 HydrophobicContact CG2-CG 4.39Å; I1855-Q1859 WeakPolarHBondContact O-CG 3.31Å; I1855-Q1859 PolarHBondContact O-N 3.05Å; M1857-Q1859 VanDerWaalsContact C-N 3.27Å; M1857-Q1859 PolarHBondContact O-N 2.86Å
1860L34.7Very low36.9Very low103 Ų10386 Ų8654%0.53945%0.449SS..Hα-helixtrans-76.5-19.6177.6-81.3166.1000114.4L1856 M1857L1856-L1860 WeakPolarHBondContact O-CG 3.44Å; L1856-L1860 PolarHBondContact O-N 2.85Å; M1857-L1860 HydrophobicContact CE-CD1 4.02Å; M1857-L1860 PolarHBondContact O-N 3.02Å; M1857-L1860 HydrophobicContact SD-CD1 4.36Å
1861I36.9Very low37Very low76 Ų7691.8 Ų91.839%0.3948%0.478SS..Hα-helixtrans-112.2-16.6-176.7-52.4171.6000110.8M1857 F1941M1857-I1861 WeakPolarHBondContact O-CG1 3.26Å; M1857-I1861 PolarHBondContact O-N 3.36Å; I1861-F1941 HydrophobicContact CG2-CD1 4.18Å; I1861-F1941 HydrophobicContact CG2-CE1 3.66Å; I1861-F1941 HydrophobicContact CG2-CZ 4.38Å; I1861-F1941 WeakPolarHBondContact O-CZ 3.4Å
1862G29.6Very low36.8Very low23 Ų2393.3 Ų93.324%0.23748%0.475CS..SBendtrans-62.7170.1179.100000115.2S1858 N1864S1858-G1862 WeakPolarHBondContact O-CA 3.43Å; S1858-G1862 PolarHBondContact O-N 2.94Å; G1862-N1864 PolarHBondContact O-N 3.17Å
1863S28Very low36.8Very low84 Ų8492.2 Ų92.259%0.58748%0.476SS*.SBendtrans-77.424.8-160.657.40000117M1937S1863-M1937 WeakPolarHBondContact OG-CE 3.44Å
1864N30.1Very low36.8Very low103 Ų10392.1 Ų92.155%0.55148%0.48SS*.  trans-135.4142.4-177.1-81.6-44.2000113.4G1862G1862-N1864 PolarHBondContact O-N 3.17Å
1865Y36.5Very low36.8Very low201 Ų20190.5 Ų90.579%0.78848%0.479SS*.SBendtrans75.7156.4172.1-53.5-68.3000118.6A1867Y1865-A1867 PolarHBondContact O-N 2.8Å
1866E31.9Very low36.8Very low96 Ų9691.3 Ų91.345%0.44948%0.481SS..THydrogen-bonded Turntrans-84.4-10.1-150.8-65.416796.900115.3H1791 T1868 I1869 L1870H1791-E1866 IonicContact ND1-OE1 3.61Å; H1791-E1866 PolarHBondContact ND1-OE1 2.78Å; E1866-T1868 VanDerWaalsContact C-N 3.31Å; E1866-T1868 PolarHBondContact O-N 3.17Å; E1866-I1869 PolarHBondContact O-N 3.1Å; E1866-I1869 VanDerWaalsContact O-N 3.15Å; E1866-L1870 PolarHBondContact O-N 3.45Å
1867A33.4Very low36.9Very low64 Ų6493.1 Ų93.153%0.52950%0.496SS..Hα-helixtrans-58.5-39.5-177.200000113Y1865 I1869 L1870 L1871Y1865-A1867 PolarHBondContact O-N 2.8Å; A1867-I1869 VanDerWaalsContact C-N 3.26Å; A1867-I1869 PolarHBondContact O-N 3.28Å; A1867-L1870 PolarHBondContact O-N 3.43Å; A1867-L1871 PolarHBondContact O-N 3.21Å
1868T38Very low37Very low72 Ų7292.7 Ų92.744%0.44249%0.493SS..Hα-helixtrans-65.8-28.5-179.1-45.90000112.4E1866 R1872E1866-T1868 VanDerWaalsContact C-N 3.31Å; E1866-T1868 PolarHBondContact O-N 3.17Å; T1868-R1872 WeakPolarHBondContact O-CB 3.32Å; T1868-R1872 PolarHBondContact O-N 2.96Å
1869I39.1Very low37.3Very low103 Ų10390.5 Ų90.553%0.52848%0.475SS..Hα-helixtrans-77.2-41.1177-61.2176.4000110.7E1866 A1867 R1872 C1873E1866-I1869 PolarHBondContact O-N 3.1Å; E1866-I1869 VanDerWaalsContact O-N 3.15Å; A1867-I1869 VanDerWaalsContact C-N 3.26Å; A1867-I1869 PolarHBondContact O-N 3.28Å; I1869-R1872 PolarHBondContact O-N 3.12Å; I1869-C1873 PolarHBondContact O-N 3.36Å; I1869-C1873 PolarHBondContact O-SG 3.32Å
1870L38.1Very low37.4Very low85 Ų8589 Ų8945%0.44548%0.476SS..Hα-helixtrans-61.8-46.8175.8-74.4164.6000111.4I1598 E1866 A1867 R1872 C1873 Q1874I1598-L1870 HydrophobicContact CD1-CD2 3.87Å; E1866-L1870 PolarHBondContact O-N 3.45Å; A1867-L1870 PolarHBondContact O-N 3.43Å; L1870-R1872 VanDerWaalsContact C-N 3.33Å; L1870-R1872 PolarHBondContact O-N 2.96Å; L1870-C1873 PolarHBondContact O-N 2.86Å; L1870-Q1874 PolarHBondContact O-N 2.83Å
1871L39.8Very low37.6Very low128 Ų12887.5 Ų87.567%0.6747%0.471SS*.Hα-helixtrans-60.5-40.5175.7-75.3167.1000112.4A1867 Q1874 L1875A1867-L1871 PolarHBondContact O-N 3.21Å; L1871-Q1874 PolarHBondContact O-N 3.3Å; L1871-L1875 WeakPolarHBondContact O-CB 3.39Å; L1871-L1875 PolarHBondContact O-N 2.84Å
1872R39.9Very low37.9Very low118 Ų11887.3 Ų87.345%0.44547%0.471SS..Hα-helixtrans-66.5-44.9179-173.3174.5179.8130.76.9112.7T1868 I1869 L1870 L1875 E1876 D1949T1868-R1872 WeakPolarHBondContact O-CB 3.32Å; T1868-R1872 PolarHBondContact O-N 2.96Å; I1869-R1872 PolarHBondContact O-N 3.12Å; L1870-R1872 VanDerWaalsContact C-N 3.33Å; L1870-R1872 PolarHBondContact O-N 2.96Å; R1872-L1875 PolarHBondContact O-N 2.94Å; R1872-E1876 IonicContact NE-OE1 3.99Å; R1872-E1876 PolarHBondContact NE-OE1 2.84Å; R1872-E1876 PolarHBondContact O-N 2.67Å; R1872-D1949 IonicContact CZ-OD1 3.17Å; R1872-D1949 IonicContact CZ-OD2 2.71Å; R1872-D1949 IonicContact NH1-OD1 2.69Å; R1872-D1949 PolarHBondContact NH1-OD1 2.77Å; R1872-D1949 IonicContact NH1-OD2 2.89Å; R1872-D1949 PolarHBondContact NH1-OD2 3.25Å; R1872-D1949 IonicContact NH2-OD1 3.66Å; R1872-D1949 PolarHBondContact NH2-OD1 3.09Å; R1872-D1949 IonicContact NH2-OD2 2.99Å; R1872-D1949 PolarHBondContact NH2-OD2 3.48Å
1873C39.7Very low38.3Very low65 Ų6589.7 Ų89.744%0.43948%0.477SS..Hα-helixtrans-63.9-40.5176.1-68.40000112I1869 L1870 C1877I1869-C1873 PolarHBondContact O-N 3.36Å; I1869-C1873 PolarHBondContact O-SG 3.32Å; L1870-C1873 PolarHBondContact O-N 2.86Å; C1873-C1877 PolarHBondContact O-N 2.84Å; C1873-C1877 VanDerWaalsContact O-N 3.12Å; C1873-C1877 PolarHBondContact O-SG 3.5Å
1874Q41.8Very low38.9Very low88 Ų8888.7 Ų88.741%0.41147%0.47SS..Hα-helixtrans-61.1-46.2175.5-167.470.226.800110.8L1870 L1871 E1876 C1877 E1878L1870-Q1874 PolarHBondContact O-N 2.83Å; L1871-Q1874 PolarHBondContact O-N 3.3Å; Q1874-E1876 PolarHBondContact O-N 3.28Å; Q1874-C1877 PolarHBondContact O-N 3.21Å; Q1874-E1878 HydrophobicContact CG-CG 4.26Å; Q1874-E1878 PolarHBondContact NE2-OE1 3.23Å; Q1874-E1878 VanDerWaalsContact NE2-OE1 3.11Å; Q1874-E1878 WeakPolarHBondContact O-CB 3.48Å; Q1874-E1878 WeakPolarHBondContact O-CG 3.44Å; Q1874-E1878 PolarHBondContact O-N 3.36Å
1875L42.6Very low39.2Very low74 Ų7490 Ų9039%0.38747%0.468SS..Hα-helixtrans-62.5-44.1-179.5-163.978.4000112.7L1871 R1872 C1877 E1878 L1879L1871-L1875 WeakPolarHBondContact O-CB 3.39Å; L1871-L1875 PolarHBondContact O-N 2.84Å; R1872-L1875 PolarHBondContact O-N 2.94Å; L1875-C1877 VanDerWaalsContact C-N 3.35Å; L1875-C1877 PolarHBondContact O-N 3.08Å; L1875-E1878 PolarHBondContact O-N 2.86Å; L1875-L1879 HydrophobicContact CD1-CD1 4.3Å; L1875-L1879 HydrophobicContact CG-CD1 3.91Å; L1875-L1879 WeakPolarHBondContact O-CB 3.5Å; L1875-L1879 PolarHBondContact O-N 3.27Å
1876E41.8Very low39.2Very low98 Ų9884.1 Ų84.146%0.45845%0.454SS..Hα-helixtrans-63.8-38.1177.5-72.7176.9-162.800111.8R1872 Q1874 S1880R1872-E1876 IonicContact NE-OE1 3.99Å; R1872-E1876 PolarHBondContact NE-OE1 2.84Å; R1872-E1876 PolarHBondContact O-N 2.67Å; Q1874-E1876 PolarHBondContact O-N 3.28Å; E1876-S1880 WeakPolarHBondContact O-CB 3.41Å; E1876-S1880 PolarHBondContact O-N 2.81Å; E1876-S1880 VanDerWaalsContact O-N 3.1Å; E1876-S1880 PolarHBondContact O-OG 2.92Å
1877C40.7Very low39.4Very low82 Ų8284.3 Ų84.355%0.55447%0.466SS*.Hα-helixtrans-67.4-48173.4-76.10000112.9C1873 Q1874 L1875 L1879 S1880 V1881C1873-C1877 PolarHBondContact O-N 2.84Å; C1873-C1877 VanDerWaalsContact O-N 3.12Å; C1873-C1877 PolarHBondContact O-SG 3.5Å; Q1874-C1877 PolarHBondContact O-N 3.21Å; L1875-C1877 VanDerWaalsContact C-N 3.35Å; L1875-C1877 PolarHBondContact O-N 3.08Å; C1877-L1879 PolarHBondContact O-N 3.1Å; C1877-S1880 WeakPolarHBondContact O-CB 3.33Å; C1877-S1880 PolarHBondContact O-N 2.86Å; C1877-V1881 WeakPolarHBondContact O-CG2 3.35Å; C1877-V1881 PolarHBondContact O-N 3.3Å
1878E40.4Very low39.6Very low101 Ų10186.2 Ų86.247%0.47246%0.464SS..Hα-helixtrans-59.6-46.5179-66.8-86.7163.400111.1Q1874 L1875 S1880 V1881 L1882Q1874-E1878 HydrophobicContact CG-CG 4.26Å; Q1874-E1878 PolarHBondContact NE2-OE1 3.23Å; Q1874-E1878 VanDerWaalsContact NE2-OE1 3.11Å; Q1874-E1878 WeakPolarHBondContact O-CB 3.48Å; Q1874-E1878 WeakPolarHBondContact O-CG 3.44Å; Q1874-E1878 PolarHBondContact O-N 3.36Å; L1875-E1878 PolarHBondContact O-N 2.86Å; E1878-S1880 PolarHBondContact O-N 3.08Å; E1878-V1881 PolarHBondContact O-N 3.24Å; E1878-L1882 PolarHBondContact O-N 2.9Å
1879L42.4Very low39.5Very low30 Ų3089.7 Ų89.716%0.15747%0.47CS..Hα-helixtrans-63.4-38.8175.5-99.8112.9000112.7L1875 C1877 V1881 L1882 M1883 L1952 L1955L1875-L1879 HydrophobicContact CD1-CD1 4.3Å; L1875-L1879 HydrophobicContact CG-CD1 3.91Å; L1875-L1879 WeakPolarHBondContact O-CB 3.5Å; L1875-L1879 PolarHBondContact O-N 3.27Å; C1877-L1879 PolarHBondContact O-N 3.1Å; L1879-V1881 VanDerWaalsContact C-N 3.31Å; L1879-V1881 PolarHBondContact O-N 3.27Å; L1879-L1882 PolarHBondContact O-N 3.44Å; L1879-M1883 WeakPolarHBondContact O-CB 3.37Å; L1879-M1883 WeakPolarHBondContact O-CG 3.5Å; L1879-M1883 PolarHBondContact O-N 2.82Å; L1879-L1952 HydrophobicContact CD2-CD2 4.37Å; L1879-L1955 HydrophobicContact CD2-CD2 4.15Å
1880S39.8Very low39.1Very low75 Ų7588.7 Ų88.752%0.52447%0.472SS..Hα-helixtrans-62.7-38.3177.6-63.10000111.9E1876 C1877 E1878 S1884E1876-S1880 WeakPolarHBondContact O-CB 3.41Å; E1876-S1880 PolarHBondContact O-N 2.81Å; E1876-S1880 VanDerWaalsContact O-N 3.1Å; E1876-S1880 PolarHBondContact O-OG 2.92Å; C1877-S1880 WeakPolarHBondContact O-CB 3.33Å; C1877-S1880 PolarHBondContact O-N 2.86Å; E1878-S1880 PolarHBondContact O-N 3.08Å; S1880-S1884 WeakPolarHBondContact O-CB 3.43Å; S1880-S1884 PolarHBondContact O-N 3.06Å; S1880-S1884 PolarHBondContact O-OG 2.7Å
1881V39.2Very low38.8Very low72 Ų7292.2 Ų92.244%0.43649%0.489SS..Hα-helixtrans-70.3-45173.8175.10000111.1C1877 E1878 L1879 M1883 S1884 Y1885C1877-V1881 WeakPolarHBondContact O-CG2 3.35Å; C1877-V1881 PolarHBondContact O-N 3.3Å; E1878-V1881 PolarHBondContact O-N 3.24Å; L1879-V1881 VanDerWaalsContact C-N 3.31Å; L1879-V1881 PolarHBondContact O-N 3.27Å; V1881-M1883 PolarHBondContact O-N 3.06Å; V1881-S1884 PolarHBondContact O-N 3.1Å; V1881-Y1885 PolarHBondContact O-N 2.98Å
1882L42Very low38.5Very low71 Ų7190.4 Ų90.437%0.37248%0.482SS..Hα-helixtrans-56.6-47.4177.4-116.382.8000112.7E1878 L1879 S1884 Y1889E1878-L1882 PolarHBondContact O-N 2.9Å; L1879-L1882 PolarHBondContact O-N 3.44Å; L1882-S1884 VanDerWaalsContact C-N 3.28Å; L1882-S1884 PolarHBondContact O-N 2.78Å; L1882-Y1889 HydrophobicContact CD1-CD2 4.12Å; L1882-Y1889 HydrophobicContact CD1-CE2 4.07Å; L1882-Y1889 HydrophobicContact CD2-CD2 4.32Å; L1882-Y1889 HydrophobicContact CD2-CE2 3.91Å; L1882-Y1889 HydrophobicContact CG-CD2 4.09Å; L1882-Y1889 HydrophobicContact CG-CE2 4.12Å
1883M39.4Very low38Very low74 Ų7487.3 Ų87.337%0.36548%0.479SS..Hα-helixtrans-66.6-31-179.4-73.2-66.3107.400112.4L1879 V1881 R2148L1879-M1883 WeakPolarHBondContact O-CB 3.37Å; L1879-M1883 WeakPolarHBondContact O-CG 3.5Å; L1879-M1883 PolarHBondContact O-N 2.82Å; V1881-M1883 PolarHBondContact O-N 3.06Å; M1883-R2148 PolarHBondContact O-NH2 3.32Å
1884S39.2Very low37.5Very low63 Ų6394.9 Ų94.944%0.44150%0.498SS..Hα-helixtrans-83.1-37.9-176.8-58.60000113.7S1880 V1881 L1882S1880-S1884 WeakPolarHBondContact O-CB 3.43Å; S1880-S1884 PolarHBondContact O-N 3.06Å; S1880-S1884 PolarHBondContact O-OG 2.7Å; V1881-S1884 PolarHBondContact O-N 3.1Å; L1882-S1884 VanDerWaalsContact C-N 3.28Å; L1882-S1884 PolarHBondContact O-N 2.78Å
1885Y37.5Very low36.9Very low130 Ų130102.3 Ų102.351%0.5152%0.523SS..  trans-131.964.2-171-64.2-81.6000113.6V1881 S1887 Q1888V1881-Y1885 PolarHBondContact O-N 2.98Å; Y1885-S1887 PolarHBondContact O-N 3.39Å; Y1885-S1887 VanDerWaalsContact O-N 3.1Å; Y1885-Q1888 PolarHBondContact O-N 3.12Å; Y1885-Q1888 VanDerWaalsContact O-N 3.09Å
1886P37.5Very low36.2Very low77 Ų77101.6 Ų101.650%0.552%0.523SS..G310 helixtrans-60.3-25.8-175.124.5-35.2000114.1Q1888 Y1889P1886-Q1888 VanDerWaalsContact C-N 3.27Å; P1886-Q1888 PolarHBondContact O-N 3.06Å; P1886-Y1889 WeakPolarHBondContact O-CB 2.84Å; P1886-Y1889 PolarHBondContact O-N 3.32Å
1887S35.8Very low35.7Very low100 Ų100104.6 Ų104.670%0.69953%0.531SS*.G310 helixtrans-69.1-17.917851.20000114.6Y1885Y1885-S1887 PolarHBondContact O-N 3.39Å; Y1885-S1887 VanDerWaalsContact O-N 3.1Å
1888Q37.4Very low35.5Very low105 Ų105107.2 Ų107.249%0.49153%0.53SS..G310 helixtrans-85-10.8177.4-65-169.3-6.700113.4Y1885 P1886 S1890 M1891 V1892Y1885-Q1888 PolarHBondContact O-N 3.12Å; Y1885-Q1888 VanDerWaalsContact O-N 3.09Å; P1886-Q1888 VanDerWaalsContact C-N 3.27Å; P1886-Q1888 PolarHBondContact O-N 3.06Å; Q1888-S1890 PolarHBondContact O-N 2.87Å; Q1888-S1890 VanDerWaalsContact O-N 3.15Å; Q1888-M1891 PolarHBondContact O-N 3.39Å; Q1888-M1891 VanDerWaalsContact O-N 3.08Å; Q1888-V1892 PolarHBondContact O-N 3.14Å
1889Y36.1Very low35.3Very low144 Ų144110.5 Ų110.557%0.56554%0.538SS*.Hα-helixtrans-59.7-29.7-174.7-164.1-108.7000113.3L1882 P1886 M1891 V1892 S1893L1882-Y1889 HydrophobicContact CD1-CD2 4.12Å; L1882-Y1889 HydrophobicContact CD1-CE2 4.07Å; L1882-Y1889 HydrophobicContact CD2-CD2 4.32Å; L1882-Y1889 HydrophobicContact CD2-CE2 3.91Å; L1882-Y1889 HydrophobicContact CG-CD2 4.09Å; L1882-Y1889 HydrophobicContact CG-CE2 4.12Å; P1886-Y1889 WeakPolarHBondContact O-CB 2.84Å; P1886-Y1889 PolarHBondContact O-N 3.32Å; Y1889-M1891 PolarHBondContact O-N 2.92Å; Y1889-V1892 PolarHBondContact O-N 2.89Å; Y1889-S1893 WeakPolarHBondContact O-CB 3.02Å; Y1889-S1893 PolarHBondContact O-N 3.16Å; Y1889-S1893 VanDerWaalsContact O-N 3.09Å
1890S31Very low35Very low83 Ų83115.2 Ų115.258%0.5856%0.559SS**Hα-helixtrans-69.4-26.4177.759.70000114.5Q1888 S1893Q1888-S1890 PolarHBondContact O-N 2.87Å; Q1888-S1890 VanDerWaalsContact O-N 3.15Å; S1890-S1893 PolarHBondContact O-OG 3.34Å; S1890-S1893 VanDerWaalsContact O-OG 3.12Å
1891M30.9Very low34.9Very low159 Ų159116.2 Ų116.278%0.78355%0.554SS**Hα-helixtrans-84-34.2174.1-85.7-170.8156.200112.2Q1888 Y1889 S1893Q1888-M1891 PolarHBondContact O-N 3.39Å; Q1888-M1891 VanDerWaalsContact O-N 3.08Å; Y1889-M1891 PolarHBondContact O-N 2.92Å; M1891-S1893 VanDerWaalsContact C-N 3.31Å; M1891-S1893 PolarHBondContact O-N 3Å
1892V33.6Very low34.9Very low89 Ų89114.2 Ų114.254%0.53954%0.54SS..Hα-helixtrans-69.5-29.4175.9-177.30000111.5Q1888 Y1889 R1894Q1888-V1892 PolarHBondContact O-N 3.14Å; Y1889-V1892 PolarHBondContact O-N 2.89Å; V1892-R1894 PolarHBondContact O-N 2.89Å
1893S29.2Very low34.6Very low53 Ų53113.8 Ų113.837%0.37154%0.543SS..THydrogen-bonded Turntrans-66.42.1-172.577.60000116.9Y1889 S1890 M1891Y1889-S1893 WeakPolarHBondContact O-CB 3.02Å; Y1889-S1893 PolarHBondContact O-N 3.16Å; Y1889-S1893 VanDerWaalsContact O-N 3.09Å; S1890-S1893 PolarHBondContact O-OG 3.34Å; S1890-S1893 VanDerWaalsContact O-OG 3.12Å; M1891-S1893 VanDerWaalsContact C-N 3.31Å; M1891-S1893 PolarHBondContact O-N 3Å
1894R29.1Very low34.5Very low224 Ų224114.9 Ų114.985%0.84554%0.544SS*.THydrogen-bonded Turntrans-109-0.9-174.2-72.4-168175.4-161.2-1.2116.1V1892V1892-R1894 PolarHBondContact O-N 2.89Å
1895R29.8Very low34.3Very low245 Ų245113.4 Ų113.493%0.92553%0.53SS*.SBendtrans-138.515.1-176.8-82.8-167.6172.1-178.4-2.1116.8
1896C28Very low34.1Very low59 Ų59114.2 Ų114.240%0.39953%0.532SS..  trans-118.7119.2-174.6-153.20000113.4W1898 R1899C1896-W1898 HydrophobicContact CB-CB 4.22Å; C1896-W1898 PolarHBondContact O-N 2.82Å; C1896-W1898 WeakPolarHBondContact SG-CB 3.23Å; C1896-R1899 WeakPolarHBondContact O-CB 3.4Å; C1896-R1899 PolarHBondContact O-N 3.07Å
1897Y30.8Very low34Very low161 Ų161116.3 Ų116.363%0.63154%0.536SS*.THydrogen-bonded Turntrans-55.5-18.2167.3-73.6-79000113R1899 E1900 F1901Y1897-R1899 PolarHBondContact O-N 3.26Å; Y1897-E1900 VanDerWaalsContact CD1-OE2 3.31Å; Y1897-E1900 WeakPolarHBondContact CD1-OE2 3.43Å; Y1897-E1900 PolarHBondContact O-N 3.46Å; Y1897-F1901 PolarHBondContact O-N 3Å
1898W37Very low33.9Very low136 Ų136112.3 Ų112.352%0.51551%0.506SS..Hα-helixtrans-55.7-29.1169.5-157.3-121.3000112.9C1896 E1900 F1901 I1902C1896-W1898 HydrophobicContact CB-CB 4.22Å; C1896-W1898 PolarHBondContact O-N 2.82Å; C1896-W1898 WeakPolarHBondContact SG-CB 3.23Å; W1898-E1900 VanDerWaalsContact C-N 3.34Å; W1898-F1901 HydrophobicContact CD2-CD1 4.2Å; W1898-F1901 HydrophobicContact CE3-CB 4.34Å; W1898-F1901 AromaticContact CE3-CD1 3.59Å; W1898-F1901 HydrophobicContact CE3-CD1 3.59Å; W1898-F1901 HydrophobicContact CE3-CE1 4.25Å; W1898-F1901 HydrophobicContact CE3-CG 4.24Å; W1898-F1901 AromaticContact CH2-CD1 3.8Å; W1898-F1901 HydrophobicContact CH2-CD1 3.8Å; W1898-F1901 AromaticContact CH2-CE1 3.64Å; W1898-F1901 HydrophobicContact CH2-CE1 3.64Å; W1898-F1901 HydrophobicContact CZ2-CD1 4.37Å; W1898-F1901 HydrophobicContact CZ2-CE1 4.42Å; W1898-F1901 AromaticContact CZ3-CD1 3.36Å; W1898-F1901 HydrophobicContact CZ3-CD1 3.36Å; W1898-F1901 AromaticContact CZ3-CE1 3.54Å; W1898-F1901 HydrophobicContact CZ3-CE1 3.54Å; W1898-F1901 HydrophobicContact CZ3-CG 4.24Å; W1898-I1902 HydrophobicContact CG-CG1 4.37Å; W1898-I1902 VanDerWaalsContact O-CB 3.29Å; W1898-I1902 WeakPolarHBondContact O-CB 3.5Å; W1898-I1902 WeakPolarHBondContact O-CG1 3.17Å; W1898-I1902 PolarHBondContact O-N 3.17Å
1899R35.2Very low33.6Very low171 Ų171111.5 Ų111.565%0.64550%0.499SS*.Hα-helixtrans-66.6-36.4173.4-171.2177.7178.4-145.4-2.8112C1896 Y1897 C1903C1896-R1899 WeakPolarHBondContact O-CB 3.4Å; C1896-R1899 PolarHBondContact O-N 3.07Å; Y1897-R1899 PolarHBondContact O-N 3.26Å; R1899-C1903 VanDerWaalsContact O-CB 3.26Å; R1899-C1903 WeakPolarHBondContact O-CB 3.46Å; R1899-C1903 PolarHBondContact O-N 3.43Å; R1899-C1903 PolarHBondContact O-SG 3.06Å
1900E35.7Very low33.4Very low129 Ų129112.8 Ų112.860%0.60351%0.508SS*.Hα-helixtrans-74.1-42.7176.5-67.4175.4163.100110.6Y1897 W1898 I1902 C1903 Y1904Y1897-E1900 VanDerWaalsContact CD1-OE2 3.31Å; Y1897-E1900 WeakPolarHBondContact CD1-OE2 3.43Å; Y1897-E1900 PolarHBondContact O-N 3.46Å; W1898-E1900 VanDerWaalsContact C-N 3.34Å; E1900-I1902 PolarHBondContact O-N 3.13Å; E1900-C1903 PolarHBondContact O-N 3Å; E1900-Y1904 VanDerWaalsContact O-CB 3.25Å; E1900-Y1904 WeakPolarHBondContact O-CB 3.5Å; E1900-Y1904 PolarHBondContact O-N 2.93Å
1901F39.3Very low33.5Very low95 Ų95116.2 Ų116.242%0.41751%0.512SS..Hα-helixtrans-59.7-42.2172.9-175.5-109.3000113.1Y1897 W1898 Y1904 L1905Y1897-F1901 PolarHBondContact O-N 3Å; W1898-F1901 HydrophobicContact CD2-CD1 4.2Å; W1898-F1901 HydrophobicContact CE3-CB 4.34Å; W1898-F1901 AromaticContact CE3-CD1 3.59Å; W1898-F1901 HydrophobicContact CE3-CD1 3.59Å; W1898-F1901 HydrophobicContact CE3-CE1 4.25Å; W1898-F1901 HydrophobicContact CE3-CG 4.24Å; W1898-F1901 AromaticContact CH2-CD1 3.8Å; W1898-F1901 HydrophobicContact CH2-CD1 3.8Å; W1898-F1901 AromaticContact CH2-CE1 3.64Å; W1898-F1901 HydrophobicContact CH2-CE1 3.64Å; W1898-F1901 HydrophobicContact CZ2-CD1 4.37Å; W1898-F1901 HydrophobicContact CZ2-CE1 4.42Å; W1898-F1901 AromaticContact CZ3-CD1 3.36Å; W1898-F1901 HydrophobicContact CZ3-CD1 3.36Å; W1898-F1901 AromaticContact CZ3-CE1 3.54Å; W1898-F1901 HydrophobicContact CZ3-CE1 3.54Å; W1898-F1901 HydrophobicContact CZ3-CG 4.24Å; F1901-Y1904 WeakPolarHBondContact O-CB 3.39Å; F1901-Y1904 PolarHBondContact O-N 2.84Å; F1901-L1905 HydrophobicContact CD1-CD1 3.94Å; F1901-L1905 HydrophobicContact CE1-CD1 3.55Å; F1901-L1905 HydrophobicContact CZ-CD1 3.87Å; F1901-L1905 WeakPolarHBondContact O-CB 3.4Å; F1901-L1905 WeakPolarHBondContact O-CG 3.45Å; F1901-L1905 PolarHBondContact O-N 2.87Å
1902I37.8Very low33.5Very low30 Ų30114.2 Ų114.215%0.15451%0.514CS..Hα-helixtrans-72.1-34.8175.3-66.1-68.1000111.7W1898 E1900 L1905 R1906 H1957W1898-I1902 HydrophobicContact CG-CG1 4.37Å; W1898-I1902 VanDerWaalsContact O-CB 3.29Å; W1898-I1902 WeakPolarHBondContact O-CB 3.5Å; W1898-I1902 WeakPolarHBondContact O-CG1 3.17Å; W1898-I1902 PolarHBondContact O-N 3.17Å; E1900-I1902 PolarHBondContact O-N 3.13Å; I1902-L1905 HydrophobicContact CD1-CD1 4.49Å; I1902-L1905 PolarHBondContact O-N 3.22Å; I1902-R1906 WeakPolarHBondContact O-CB 3.33Å; I1902-R1906 WeakPolarHBondContact O-CG 3.41Å; I1902-R1906 PolarHBondContact O-N 2.86Å; I1902-H1957 VanDerWaalsContact CD1-CE1 3.49Å; I1902-H1957 WeakPolarHBondContact CD1-CE1 3.33Å
1903C36.3Very low33.6Very low62 Ų62112.7 Ų112.742%0.41951%0.507SS..Hα-helixtrans-66-39.1171.4-80.60000112.2R1899 E1900 R1906 Q1907R1899-C1903 VanDerWaalsContact O-CB 3.26Å; R1899-C1903 WeakPolarHBondContact O-CB 3.46Å; R1899-C1903 PolarHBondContact O-N 3.43Å; R1899-C1903 PolarHBondContact O-SG 3.06Å; E1900-C1903 PolarHBondContact O-N 3Å; C1903-R1906 CarbonylContact O-C 3.5Å; C1903-R1906 PolarHBondContact O-N 3.24Å; C1903-Q1907 PolarHBondContact O-N 2.78Å
1904Y37.6Very low34.1Very low98 Ų98111.9 Ų111.938%0.38450%0.499SS..Hα-helixtrans-62-49.2173.5-175.9-109.3000110.4F1838 E1900 F1901 R1906 Q1907 I1908F1838-Y1904 HydrophobicContact CB-CE1 4.45Å; F1838-Y1904 WeakPolarHBondContact CB-OH 3.43Å; F1838-Y1904 VanDerWaalsContact CD2-OH 3.23Å; F1838-Y1904 WeakPolarHBondContact CD2-OH 3.18Å; F1838-Y1904 WeakPolarHBondContact CG-OH 3.49Å; E1900-Y1904 VanDerWaalsContact O-CB 3.25Å; E1900-Y1904 WeakPolarHBondContact O-CB 3.5Å; E1900-Y1904 PolarHBondContact O-N 2.93Å; F1901-Y1904 WeakPolarHBondContact O-CB 3.39Å; F1901-Y1904 PolarHBondContact O-N 2.84Å; Y1904-R1906 VanDerWaalsContact C-N 3.28Å; Y1904-R1906 PolarHBondContact O-N 3.43Å; Y1904-Q1907 PolarHBondContact O-N 3.13Å; Y1904-I1908 HydrophobicContact CD1-CD1 3.57Å; Y1904-I1908 HydrophobicContact CE1-CD1 3.63Å; Y1904-I1908 HydrophobicContact CG-CD1 4.12Å; Y1904-I1908 WeakPolarHBondContact O-CB 3.48Å; Y1904-I1908 VanDerWaalsContact O-CG1 3.31Å; Y1904-I1908 WeakPolarHBondContact O-CG1 3.46Å; Y1904-I1908 PolarHBondContact O-N 2.67Å
1905L35.5Very low34.7Very low31 Ų31105.7 Ų105.716%0.16248%0.481CS..Hα-helixtrans-61-31.5172.8-72.5171.6000113.5F1901 I1902 I1908 Y1909F1901-L1905 HydrophobicContact CD1-CD1 3.94Å; F1901-L1905 HydrophobicContact CE1-CD1 3.55Å; F1901-L1905 HydrophobicContact CZ-CD1 3.87Å; F1901-L1905 WeakPolarHBondContact O-CB 3.4Å; F1901-L1905 WeakPolarHBondContact O-CG 3.45Å; F1901-L1905 PolarHBondContact O-N 2.87Å; I1902-L1905 HydrophobicContact CD1-CD1 4.49Å; I1902-L1905 PolarHBondContact O-N 3.22Å; L1905-I1908 HydrophobicContact CD2-CD1 4.42Å; L1905-I1908 HydrophobicContact CD2-CG2 4.46Å; L1905-I1908 WeakPolarHBondContact O-CB 3.12Å; L1905-I1908 PolarHBondContact O-N 3.17Å; L1905-Y1909 HydrophobicContact CD2-CE2 4.37Å; L1905-Y1909 PolarHBondContact O-N 2.88Å
1906R33.5Very low35Very low147 Ų147100.7 Ų100.756%0.55547%0.467SS*.Hα-helixtrans-75.3-23.3172-83.6-176.7167.4-168.8-3.1114.6I1902 C1903 Y1904I1902-R1906 WeakPolarHBondContact O-CB 3.33Å; I1902-R1906 WeakPolarHBondContact O-CG 3.41Å; I1902-R1906 PolarHBondContact O-N 2.86Å; C1903-R1906 CarbonylContact O-C 3.5Å; C1903-R1906 PolarHBondContact O-N 3.24Å; Y1904-R1906 VanDerWaalsContact C-N 3.28Å; Y1904-R1906 PolarHBondContact O-N 3.43Å
1907Q35.1Very low35.6Very low121 Ų121101.6 Ų101.657%0.56547%0.467SS*.Hα-helixtrans-78.6-29.8168-70.1-172.510.600111.6C1903 Y1904C1903-Q1907 PolarHBondContact O-N 2.78Å; Y1904-Q1907 PolarHBondContact O-N 3.13Å
1908I33.1Very low35.9Very low16 Ų1696.6 Ų96.68%0.08245%0.451CS..Hα-helixtrans-73.3-49.8-177.9-83.6170.3000113.4F1838 W1839 Y1904 L1905 K1910F1838-I1908 HydrophobicContact CB-CD1 4.09Å; W1839-I1908 VanDerWaalsContact CD1-CG2 3.43Å; Y1904-I1908 HydrophobicContact CD1-CD1 3.57Å; Y1904-I1908 HydrophobicContact CE1-CD1 3.63Å; Y1904-I1908 HydrophobicContact CG-CD1 4.12Å; Y1904-I1908 WeakPolarHBondContact O-CB 3.48Å; Y1904-I1908 VanDerWaalsContact O-CG1 3.31Å; Y1904-I1908 WeakPolarHBondContact O-CG1 3.46Å; Y1904-I1908 PolarHBondContact O-N 2.67Å; L1905-I1908 HydrophobicContact CD2-CD1 4.42Å; L1905-I1908 HydrophobicContact CD2-CG2 4.46Å; L1905-I1908 WeakPolarHBondContact O-CB 3.12Å; L1905-I1908 PolarHBondContact O-N 3.17Å; I1908-K1910 PolarHBondContact O-N 3.23Å
1909Y31.7Very low36.1Very low88 Ų8894.6 Ų94.635%0.34545%0.45SS..  trans-97.186.2-178.2-75-69.8000110.5L1905 D1914 L1918L1905-Y1909 HydrophobicContact CD2-CE2 4.37Å; L1905-Y1909 PolarHBondContact O-N 2.88Å; Y1909-D1914 HydrophobicContact CD1-CB 4.01Å; Y1909-D1914 HydrophobicContact CE1-CB 4.46Å; Y1909-L1918 WeakPolarHBondContact OH-CD2 3.38Å
1910K31.9Very low36.1Very low171 Ų17192 Ų9274%0.74345%0.445SS*.  trans-115.8-10.1-170.6-143.2172.2-173.4176.90114I1908 D1914I1908-K1910 PolarHBondContact O-N 3.23Å; K1910-D1914 PolarHBondContact N-OD2 3.31Å
1911K31.9Very low36.1Very low156 Ų15688 Ų8868%0.67843%0.431SS*.SBendtrans-143.5155.9177.6-66.6179.3-177.8174.70111.7S1913 D1914K1911-S1913 WeakPolarHBondContact CB-OG 3.49Å; K1911-S1913 PolarHBondContact O-N 3.45Å; K1911-D1914 PolarHBondContact N-OD2 2.77Å; K1911-D1914 WeakPolarHBondContact O-CB 3.48Å; K1911-D1914 PolarHBondContact O-N 2.89Å; K1911-D1914 VanDerWaalsContact O-N 3.1Å; K1911-D1914 VanDerWaalsContact O-OD2 3.11Å
1912S32.4Very low35.8Very low117 Ų11788.1 Ų88.182%0.81844%0.435SS*.THydrogen-bonded Turntrans-66.6-14.1176.349.10000114.2D1914S1912-D1914 PolarHBondContact O-N 3Å
1913S35.4Very low35.6Very low57 Ų5791.7 Ų91.740%0.39945%0.452SS..THydrogen-bonded Turntrans-60.1-32.4168.1400000113.3K1911 I1915 K1916 N1917K1911-S1913 WeakPolarHBondContact CB-OG 3.49Å; K1911-S1913 PolarHBondContact O-N 3.45Å; S1913-I1915 VanDerWaalsContact C-N 3.29Å; S1913-I1915 PolarHBondContact O-N 2.86Å; S1913-K1916 VanDerWaalsContact O-CB 3.31Å; S1913-K1916 WeakPolarHBondContact O-CB 3.36Å; S1913-K1916 PolarHBondContact O-N 3.43Å; S1913-N1917 PolarHBondContact O-N 2.76Å
1914D38.4Very low35.5Very low36 Ų3693 Ų9319%0.19345%0.454CS..Hα-helixtrans-74.6-27.5-159.6-48.6-12.9000110.7Y1909 K1910 K1911 S1912 K1916 N1917 L1918Y1909-D1914 HydrophobicContact CD1-CB 4.01Å; Y1909-D1914 HydrophobicContact CE1-CB 4.46Å; K1910-D1914 PolarHBondContact N-OD2 3.31Å; K1911-D1914 PolarHBondContact N-OD2 2.77Å; K1911-D1914 WeakPolarHBondContact O-CB 3.48Å; K1911-D1914 PolarHBondContact O-N 2.89Å; K1911-D1914 VanDerWaalsContact O-N 3.1Å; K1911-D1914 VanDerWaalsContact O-OD2 3.11Å; S1912-D1914 PolarHBondContact O-N 3Å; D1914-K1916 VanDerWaalsContact C-N 3.34Å; D1914-N1917 PolarHBondContact O-N 3.21Å; D1914-L1918 PolarHBondContact O-N 2.89Å
1915I41.9Very low34.9Very low93 Ų9393.4 Ų93.448%0.47746%0.463SS..Hα-helixtrans-66.7-33.4171-64.3173.8000111.7S1913 L1918 I1919S1913-I1915 VanDerWaalsContact C-N 3.29Å; S1913-I1915 PolarHBondContact O-N 2.86Å; I1915-L1918 PolarHBondContact O-N 3.42Å; I1915-I1919 HydrophobicContact CG2-CD1 4.17Å; I1915-I1919 WeakPolarHBondContact O-CG1 3.12Å; I1915-I1919 PolarHBondContact O-N 3.35Å
1916K37.3Very low34.5Very low141 Ų141100.4 Ų100.461%0.61350%0.495SS*.Hα-helixtrans-68.9-40177.6-166-176.2177.1-169.60110.9S1913 D1914 I1919 Q1920S1913-K1916 VanDerWaalsContact O-CB 3.31Å; S1913-K1916 WeakPolarHBondContact O-CB 3.36Å; S1913-K1916 PolarHBondContact O-N 3.43Å; D1914-K1916 VanDerWaalsContact C-N 3.34Å; K1916-I1919 PolarHBondContact O-N 2.84Å; K1916-Q1920 PolarHBondContact O-N 3.3Å
1917N38.8Very low34.2Very low77 Ų7799.5 Ų99.541%0.41251%0.505SS..Hα-helixtrans-66.6-41.6173.2-67.91000111.2S1913 D1914 I1919 Q1920 C1921S1913-N1917 PolarHBondContact O-N 2.76Å; D1914-N1917 PolarHBondContact O-N 3.21Å; N1917-I1919 VanDerWaalsContact C-N 3.3Å; N1917-I1919 PolarHBondContact O-N 2.65Å; N1917-Q1920 CarbonylContact O-C 3.51Å; N1917-Q1920 PolarHBondContact O-N 3.34Å; N1917-Q1920 VanDerWaalsContact O-N 3.14Å; N1917-C1921 PolarHBondContact O-N 2.91Å; N1917-C1921 PolarHBondContact O-SG 3.28Å
1918L38Very low33.8Very low57 Ų5798.8 Ų98.830%0.29851%0.505SS..Hα-helixtrans-56-43.7173.7-179.768.4000112.1Y1909 D1914 I1915 C1921 L1922Y1909-L1918 WeakPolarHBondContact OH-CD2 3.38Å; D1914-L1918 PolarHBondContact O-N 2.89Å; I1915-L1918 PolarHBondContact O-N 3.42Å; L1918-C1921 PolarHBondContact O-N 3.1Å; L1918-L1922 HydrophobicContact CG-CD1 4.37Å; L1918-L1922 WeakPolarHBondContact O-CG 3.29Å; L1918-L1922 PolarHBondContact O-N 2.82Å; L1918-L1922 VanDerWaalsContact O-N 3.16Å
1919I40.6Very low33.4Very low93 Ų93110 Ų11048%0.47755%0.546SS..Hα-helixtrans-64.1-44.6176.4-69166.8000110.6I1915 K1916 N1917 C1921 L1922 M1923I1915-I1919 HydrophobicContact CG2-CD1 4.17Å; I1915-I1919 WeakPolarHBondContact O-CG1 3.12Å; I1915-I1919 PolarHBondContact O-N 3.35Å; K1916-I1919 PolarHBondContact O-N 2.84Å; N1917-I1919 VanDerWaalsContact C-N 3.3Å; N1917-I1919 PolarHBondContact O-N 2.65Å; I1919-C1921 VanDerWaalsContact C-N 3.34Å; I1919-C1921 PolarHBondContact O-N 3.35Å; I1919-L1922 CarbonylContact O-C 3.49Å; I1919-L1922 PolarHBondContact O-N 3.32Å; I1919-L1922 VanDerWaalsContact O-N 3.08Å; I1919-M1923 WeakPolarHBondContact O-CG 3.39Å; I1919-M1923 PolarHBondContact O-N 2.81Å
1920Q36.8Very low33Very low117 Ų117111.2 Ų111.255%0.54757%0.567SS.*Hα-helixtrans-65.7-32.7175.7-70.7-175.4-11100113K1916 N1917 L1922 M1923K1916-Q1920 PolarHBondContact O-N 3.3Å; N1917-Q1920 CarbonylContact O-C 3.51Å; N1917-Q1920 PolarHBondContact O-N 3.34Å; N1917-Q1920 VanDerWaalsContact O-N 3.14Å; Q1920-L1922 PolarHBondContact O-N 2.85Å; Q1920-M1923 CarbonylContact O-C 3.33Å; Q1920-M1923 PolarHBondContact O-N 3.17Å; Q1920-M1923 VanDerWaalsContact O-N 3.13Å
1921C35.1Very low32.7Very low46 Ų46110.6 Ų110.631%0.31157%0.572SS.*Hα-helixtrans-69.2-18.6172.2-66.70000113.6N1917 L1918 I1919N1917-C1921 PolarHBondContact O-N 2.91Å; N1917-C1921 PolarHBondContact O-SG 3.28Å; L1918-C1921 PolarHBondContact O-N 3.1Å; I1919-C1921 VanDerWaalsContact C-N 3.34Å; I1919-C1921 PolarHBondContact O-N 3.35Å
1922L33.8Very low32.5Very low97 Ų97110.8 Ų110.851%0.50858%0.58SS.*THydrogen-bonded Turntrans-96.13.1172.6-66.4169.8000112.7L1918 I1919 Q1920 A1942L1918-L1922 HydrophobicContact CG-CD1 4.37Å; L1918-L1922 WeakPolarHBondContact O-CG 3.29Å; L1918-L1922 PolarHBondContact O-N 2.82Å; L1918-L1922 VanDerWaalsContact O-N 3.16Å; I1919-L1922 CarbonylContact O-C 3.49Å; I1919-L1922 PolarHBondContact O-N 3.32Å; I1919-L1922 VanDerWaalsContact O-N 3.08Å; Q1920-L1922 PolarHBondContact O-N 2.85Å; L1922-A1942 HydrophobicContact CB-CB 4.26Å
1923M32.1Very low32.2Very low104 Ų104112.9 Ų112.951%0.51258%0.583SS.*  trans-132.783.3176.9-58.4-15681.500109.3I1919 Q1920I1919-M1923 WeakPolarHBondContact O-CG 3.39Å; I1919-M1923 PolarHBondContact O-N 2.81Å; Q1920-M1923 CarbonylContact O-C 3.33Å; Q1920-M1923 PolarHBondContact O-N 3.17Å; Q1920-M1923 VanDerWaalsContact O-N 3.13Å
1924I33.8Very low31.7Very low89 Ų89117.9 Ų117.946%0.45661%0.605SS.*  trans-111.2125-178.1-64.8178.6000109.6
1925D26.5Very low31.1Very low107 Ų107123.7 Ų123.757%0.57264%0.636SS**  trans-79.7-11.2-169.3-70.4-88.7000116Y2025D1925-Y2025 WeakPolarHBondContact OD1-CE2 3.4Å; D1925-Y2025 PolarHBondContact OD1-OH 3.38Å
1926E26.1Very low30.3Very low179 Ų179125.7 Ų125.784%0.83665%0.647SS**  trans-107.766.7-162.9-63.3-16312700115.5
1927V28.6Very low29.6Very low127 Ų127125.4 Ų125.477%0.7765%0.65SS**  trans-132.149163.6-161.60000111.3
1928I26.4Very low29Very low107 Ų107128.6 Ų128.655%0.54966%0.661SS.*  trans-131.676.6171.8-51.1179.9000109.2L2029I1928-L2029 HydrophobicContact CD1-CD2 4.35Å
1929R23.2Very low28.4Very low250 Ų250130.7 Ų130.794%0.94368%0.678SS**  trans177.187.1160.4-100.1154.9-171.3-171.54.8111.9
1930S24.7Very low27.7Very low114 Ų114130.1 Ų130.180%0.79768%0.678SS**  trans-162103.115757.90000109.5N1932S1930-N1932 PolarHBondContact O-N 3.46Å
1931D25.2Very low27.3Very low159 Ų159128.7 Ų128.785%0.8567%0.67SS**  trans-69.1120.6175.4-56.8-72.2000110.4
1932N26.9Very low27Very low159 Ų159128.6 Ų128.685%0.8567%0.673SS**  trans-173.6155.4142.2-99.7-56.8000110.6S1930 D1934S1930-N1932 PolarHBondContact O-N 3.46Å; N1932-D1934 PolarHBondContact O-N 3.06Å
1933N26.1Very low26.9Very low162 Ų162127.6 Ų127.687%0.86667%0.668SS**  trans-80.3110-174.6-60.4-53.7000111.9
1934D24.9Very low27Very low161 Ų161127.8 Ų127.886%0.86167%0.67SS**  trans-153.3147.8155.3-104.6-38.8000109.2N1932 N1936N1932-D1934 PolarHBondContact O-N 3.06Å; D1934-N1936 PolarHBondContact O-N 3.05Å
1935D26.1Very low27.2Very low159 Ų159127.7 Ų127.785%0.8567%0.668SS**  trans-75.890.6-162.7-93.4-48.7000115.3
1936N25.6Very low28.3Very low134 Ų134124.6 Ų124.672%0.71765%0.651SS**  trans3595.8143.9-73.8-71.9000118.6D1934D1934-N1936 PolarHBondContact O-N 3.05Å
1937M23.5Very low29.4Very low136 Ų136116.3 Ų116.367%0.6761%0.613SS**  trans-126.299.6156.9-159-172.979.400111.7S1863S1863-M1937 WeakPolarHBondContact OG-CE 3.44Å
1938F24.4Very low30.4Very low144 Ų144110.7 Ų110.763%0.63258%0.579SS**  trans-70.4128.3-176.8-105.5-96.4000113.3V1940 F2033F1938-V1940 HydrophobicContact CB-CG2 4.4Å; F1938-V1940 PolarHBondContact O-N 3.01Å; F1938-F2033 HydrophobicContact CZ-CE2 4.39Å; F1938-F2033 HydrophobicContact CZ-CZ 4.14Å
1939P25.3Very low31.4Very low101 Ų101107.6 Ų107.666%0.65656%0.564SS**  trans-8975-177.735.2-35.8000113.5F1941P1939-F1941 VanDerWaalsContact C-N 3.34Å; P1939-F1941 PolarHBondContact O-N 3.01Å
1940V26.8Very low32.8Very low81 Ų8197.8 Ų97.849%0.49153%0.53SS..  trans-83.967.3-179.3-170.30000112.2F1938 L1944F1938-V1940 HydrophobicContact CB-CG2 4.4Å; F1938-V1940 PolarHBondContact O-N 3.01Å; V1940-L1944 HydrophobicContact CB-CD1 4.3Å; V1940-L1944 VanDerWaalsContact O-CD1 3.28Å; V1940-L1944 WeakPolarHBondContact O-CD1 3.47Å; V1940-L1944 WeakPolarHBondContact O-CG 3.45Å
1941F27.6Very low34.3Very low87 Ų8792.3 Ų92.338%0.38249%0.492SS..  trans-106.462.8-166-126.1-77.2000116.5I1861 P1939 Q1945I1861-F1941 HydrophobicContact CG2-CD1 4.18Å; I1861-F1941 HydrophobicContact CG2-CE1 3.66Å; I1861-F1941 HydrophobicContact CG2-CZ 4.38Å; I1861-F1941 WeakPolarHBondContact O-CZ 3.4Å; P1939-F1941 VanDerWaalsContact C-N 3.34Å; P1939-F1941 PolarHBondContact O-N 3.01Å; F1941-Q1945 HydrophobicContact CE1-CG 4.37Å
1942A30.4Very low35.5Very low43 Ų4386.9 Ų86.936%0.35546%0.462SS..SBendtrans-144.5-49.5162.800000112.3L1922 L1944L1922-A1942 HydrophobicContact CB-CB 4.26Å; A1942-L1944 PolarHBondContact O-N 3.17Å
1943L31.6Very low36.4Very low77 Ų7781.1 Ų81.140%0.40344%0.441SS..THydrogen-bonded Turntrans-76-4.8-179.7-71.8162.9000114.4R1979 I1982L1943-R1979 PolarHBondContact O-NH1 3.02Å; L1943-I1982 HydrophobicContact CD2-CD1 4.35Å
1944L33.6Very low37.6Very low107 Ų10776.5 Ų76.556%0.5642%0.416SS*.THydrogen-bonded Turntrans-95.4-19.1-171.5-70.6-172.5000116.1V1940 A1942 R1979V1940-L1944 HydrophobicContact CB-CD1 4.3Å; V1940-L1944 VanDerWaalsContact O-CD1 3.28Å; V1940-L1944 WeakPolarHBondContact O-CD1 3.47Å; V1940-L1944 WeakPolarHBondContact O-CG 3.45Å; A1942-L1944 PolarHBondContact O-N 3.17Å; L1944-R1979 VanDerWaalsContact CA-NH1 3.35Å; L1944-R1979 PolarHBondContact O-NH1 2.86Å; L1944-R1979 PolarHBondContact O-NH2 3.48Å
1945Q38Very low38.9Very low88 Ų8869.5 Ų69.541%0.41138%0.378SS..SBendtrans-68.1155.5170.5-77-173.3-14.300111.8F1941 R1979F1941-Q1945 HydrophobicContact CE1-CG 4.37Å; Q1945-R1979 PolarHBondContact O-NE 2.81Å; Q1945-R1979 PolarHBondContact O-NH1 2.86Å; Q1945-R1979 PolarHBondContact O-NH2 3.18Å
1946D50.2Low39.5Very low42 Ų4264.8 Ų64.823%0.22536%0.356CS..  trans-83.2134.3177.4-148.9-87000111.7A1948 D1949 I1950 R1979D1946-A1948 PolarHBondContact O-N 3.43Å; D1946-A1948 VanDerWaalsContact O-N 3.15Å; D1946-A1948 WeakPolarHBondContact OD1-CB 3.29Å; D1946-A1948 PolarHBondContact OD1-N 3.43Å; D1946-D1949 HydrophobicContact CB-CB 4.49Å; D1946-D1949 WeakPolarHBondContact O-CA 3.48Å; D1946-D1949 VanDerWaalsContact O-CB 3.25Å; D1946-D1949 WeakPolarHBondContact O-CB 3.48Å; D1946-D1949 PolarHBondContact O-N 3.25Å; D1946-I1950 PolarHBondContact O-N 2.95Å; D1946-I1950 VanDerWaalsContact O-N 3.1Å; D1946-R1979 IonicContact OD2-CZ 2.59Å; D1946-R1979 IonicContact OD2-NE 3.92Å; D1946-R1979 IonicContact OD2-NH2 3.22Å; D1946-R1979 PolarHBondContact OD2-NH2 3.16Å
1947P47.8Very low40.4Very low4 Ų461.4 Ų61.43%0.02634%0.336CS..Hα-helixtrans-62.3-19.1176.18.6-14.8000113.7L1951 T1972 L1975 A1976 F2138P1947-L1951 WeakPolarHBondContact O-CB 3.36Å; P1947-L1951 PolarHBondContact O-N 3.36Å; P1947-T1972 VanDerWaalsContact CB-O 3.32Å; P1947-T1972 WeakPolarHBondContact CB-O 3.46Å; P1947-L1975 HydrophobicContact CB-CB 4.11Å; P1947-L1975 HydrophobicContact CG-CB 4.41Å; P1947-A1976 HydrophobicContact CB-CB 4.13Å; P1947-A1976 HydrophobicContact CG-CB 3.56Å; P1947-F2138 HydrophobicContact CB-CD2 4.36Å
1948A49.4Very low41.8Very low9 Ų955.3 Ų55.37%0.07431%0.306CS..Hα-helixtrans-64-40.816500000112.4D1946 I1950 L1951 L1952 I2141D1946-A1948 PolarHBondContact O-N 3.43Å; D1946-A1948 VanDerWaalsContact O-N 3.15Å; D1946-A1948 WeakPolarHBondContact OD1-CB 3.29Å; D1946-A1948 PolarHBondContact OD1-N 3.43Å; A1948-I1950 VanDerWaalsContact C-N 3.35Å; A1948-L1951 PolarHBondContact O-N 3.34Å; A1948-L1952 WeakPolarHBondContact O-CB 2.87Å; A1948-L1952 WeakPolarHBondContact O-CG 3.4Å; A1948-L1952 PolarHBondContact O-N 3.43Å; A1948-I2141 HydrophobicContact CB-CD1 3.82Å
1949D48.2Very low42.7Very low43 Ų4353 Ų5323%0.2329%0.293CS..Hα-helixtrans-67.4-37.5176.6-57-14.9000110.8R1872 D1946 L1952 G1953R1872-D1949 IonicContact CZ-OD1 3.17Å; R1872-D1949 IonicContact CZ-OD2 2.71Å; R1872-D1949 IonicContact NH1-OD1 2.69Å; R1872-D1949 PolarHBondContact NH1-OD1 2.77Å; R1872-D1949 IonicContact NH1-OD2 2.89Å; R1872-D1949 PolarHBondContact NH1-OD2 3.25Å; R1872-D1949 IonicContact NH2-OD1 3.66Å; R1872-D1949 PolarHBondContact NH2-OD1 3.09Å; R1872-D1949 IonicContact NH2-OD2 2.99Å; R1872-D1949 PolarHBondContact NH2-OD2 3.48Å; D1946-D1949 HydrophobicContact CB-CB 4.49Å; D1946-D1949 WeakPolarHBondContact O-CA 3.48Å; D1946-D1949 VanDerWaalsContact O-CB 3.25Å; D1946-D1949 WeakPolarHBondContact O-CB 3.48Å; D1946-D1949 PolarHBondContact O-N 3.25Å; D1949-L1952 PolarHBondContact O-N 3.34Å; D1949-G1953 PolarHBondContact O-N 2.68Å
1950I51.5Low43.6Very low43 Ų4352 Ų5222%0.22129%0.287CS..Hα-helixtrans-66.3-43.2175.4-57.4173.8000110.6D1946 A1948 L1954 T1972 L1975D1946-I1950 PolarHBondContact O-N 2.95Å; D1946-I1950 VanDerWaalsContact O-N 3.1Å; A1948-I1950 VanDerWaalsContact C-N 3.35Å; I1950-L1954 HydrophobicContact CG2-CD1 3.94Å; I1950-L1954 WeakPolarHBondContact O-CB 3.31Å; I1950-L1954 VanDerWaalsContact O-CG 3.28Å; I1950-L1954 WeakPolarHBondContact O-CG 3.37Å; I1950-L1954 PolarHBondContact O-N 3.16Å; I1950-T1972 HydrophobicContact CB-CG2 4.06Å; I1950-T1972 HydrophobicContact CG2-CG2 3.63Å; I1950-L1975 HydrophobicContact CD1-CD2 3.62Å
1951L57.2Low44.8Very low0 Ų054.2 Ų54.20%029%0.292CS..Hα-helixtrans-64.8-44.7175.4-179.863.2000111.8P1947 A1948 L1954 L1955 V1968 L1969 F2138 I2141P1947-L1951 WeakPolarHBondContact O-CB 3.36Å; P1947-L1951 PolarHBondContact O-N 3.36Å; A1948-L1951 PolarHBondContact O-N 3.34Å; L1951-L1954 PolarHBondContact O-N 3.05Å; L1951-L1955 HydrophobicContact CD1-CD1 4.34Å; L1951-L1955 HydrophobicContact CG-CD1 4.49Å; L1951-L1955 WeakPolarHBondContact O-CB 3.45Å; L1951-L1955 PolarHBondContact O-N 3.1Å; L1951-V1968 HydrophobicContact CD1-CG1 4.15Å; L1951-L1969 HydrophobicContact CD1-CD1 3.9Å; L1951-L1969 HydrophobicContact CD2-CD1 3.67Å; L1951-L1969 HydrophobicContact CG-CD1 4.47Å; L1951-F2138 HydrophobicContact CB-CE2 3.96Å; L1951-F2138 HydrophobicContact CD2-CD2 4.26Å; L1951-F2138 HydrophobicContact CD2-CE2 3.64Å; L1951-F2138 HydrophobicContact CD2-CZ 3.97Å; L1951-F2138 HydrophobicContact CG-CE2 4.33Å; L1951-I2141 HydrophobicContact CD2-CB 4.35Å; L1951-I2141 HydrophobicContact CD2-CG2 3.8Å; L1951-I2141 HydrophobicContact CG-CG2 4.44Å
1952L50.5Low45.8Very low44 Ų4453.9 Ų53.923%0.2329%0.291CS..Hα-helixtrans-64.7-41.2177.8-77.3166.6000112.5L1879 A1948 D1949 L1955 P1956 I2141L1879-L1952 HydrophobicContact CD2-CD2 4.37Å; A1948-L1952 WeakPolarHBondContact O-CB 2.87Å; A1948-L1952 WeakPolarHBondContact O-CG 3.4Å; A1948-L1952 PolarHBondContact O-N 3.43Å; D1949-L1952 PolarHBondContact O-N 3.34Å; L1952-L1955 PolarHBondContact O-N 3.38Å; L1952-P1956 WeakPolarHBondContact O-CD 3.24Å; L1952-I2141 HydrophobicContact CD1-CD1 4.09Å; L1952-I2141 HydrophobicContact CD2-CG2 4.27Å; L1952-I2141 HydrophobicContact CG-CD1 4.38Å; L1952-I2141 HydrophobicContact CG-CG2 4.48Å
1953G46.3Very low46.5Very low39 Ų3954.1 Ų54.140%0.40230%0.298SS..Hα-helixtrans-66.7-34.7176.300000113D1949 H1957D1949-G1953 PolarHBondContact O-N 2.68Å; G1953-H1957 PolarHBondContact O-CD2 2.91Å
1954L50.8Low47.2Very low65 Ų6555 Ų5534%0.3430%0.302SS..Hα-helixtrans-80-29.7175.7-69.3172.1000112.9I1950 L1951 P1956 H1957 I1958 V1968I1950-L1954 HydrophobicContact CG2-CD1 3.94Å; I1950-L1954 WeakPolarHBondContact O-CB 3.31Å; I1950-L1954 VanDerWaalsContact O-CG 3.28Å; I1950-L1954 WeakPolarHBondContact O-CG 3.37Å; I1950-L1954 PolarHBondContact O-N 3.16Å; L1951-L1954 PolarHBondContact O-N 3.05Å; L1954-P1956 VanDerWaalsContact O-N 3.09Å; L1954-H1957 WeakPolarHBondContact O-CA 3.29Å; L1954-H1957 WeakPolarHBondContact O-CB 3.37Å; L1954-H1957 PolarHBondContact O-N 2.94Å; L1954-I1958 VanDerWaalsContact C-CG1 3.49Å; L1954-I1958 HydrophobicContact CB-CD1 4Å; L1954-I1958 HydrophobicContact CB-CG1 4.23Å; L1954-I1958 WeakPolarHBondContact O-CG1 3.1Å; L1954-I1958 PolarHBondContact O-N 2.85Å; L1954-V1968 HydrophobicContact CB-CG1 4.07Å; L1954-V1968 HydrophobicContact CD1-CG1 3.53Å; L1954-V1968 HydrophobicContact CD1-CG2 4.35Å; L1954-V1968 HydrophobicContact CG-CG1 4.45Å
1955L51.3Low48.5Very low14 Ų1450 Ų507%0.07328%0.276CS..Hα-helixtrans-44.5-45.2-171.3-15077.1000115.5L1879 L1951 L1952 H1957 I1958 W1959 F1965 C2145L1879-L1955 HydrophobicContact CD2-CD2 4.15Å; L1951-L1955 HydrophobicContact CD1-CD1 4.34Å; L1951-L1955 HydrophobicContact CG-CD1 4.49Å; L1951-L1955 WeakPolarHBondContact O-CB 3.45Å; L1951-L1955 PolarHBondContact O-N 3.1Å; L1952-L1955 PolarHBondContact O-N 3.38Å; L1955-H1957 PolarHBondContact O-N 3.32Å; L1955-I1958 HydrophobicContact CD1-CD1 4.45Å; L1955-I1958 PolarHBondContact O-N 3.07Å; L1955-W1959 PolarHBondContact O-N 3.49Å; L1955-W1959 VanDerWaalsContact O-N 3.16Å; L1955-F1965 HydrophobicContact CD1-CD2 3.85Å; L1955-F1965 HydrophobicContact CD1-CE2 3.87Å; L1955-C2145 HydrophobicContact CD1-CB 4.29Å
1956P40.3Very low49.2Very low59 Ų5947.3 Ų47.338%0.38326%0.263SS..Hα-helixtrans-68.5-18.7179.6-19.534.2000114.6L1952 L1954L1952-P1956 WeakPolarHBondContact O-CD 3.24Å; L1954-P1956 VanDerWaalsContact O-N 3.09Å
1957H44.2Very low49.1Very low63 Ų6349.6 Ų49.629%0.29228%0.279SS..Hα-helixtrans-91.7-28.7-178.4-58.5-85.8000112.4I1902 G1953 L1954 L1955I1902-H1957 VanDerWaalsContact CD1-CE1 3.49Å; I1902-H1957 WeakPolarHBondContact CD1-CE1 3.33Å; G1953-H1957 PolarHBondContact O-CD2 2.91Å; L1954-H1957 WeakPolarHBondContact O-CA 3.29Å; L1954-H1957 WeakPolarHBondContact O-CB 3.37Å; L1954-H1957 PolarHBondContact O-N 2.94Å; L1955-H1957 PolarHBondContact O-N 3.32Å
1958I52.4Low49.3Very low8 Ų850.2 Ų50.24%0.04128%0.282CS..Hα-helixtrans-88-28.1179.49.2167000112.8L1954 L1955 H1961 I1964 F1965 V1968L1954-I1958 VanDerWaalsContact C-CG1 3.49Å; L1954-I1958 HydrophobicContact CB-CD1 4Å; L1954-I1958 HydrophobicContact CB-CG1 4.23Å; L1954-I1958 WeakPolarHBondContact O-CG1 3.1Å; L1954-I1958 PolarHBondContact O-N 2.85Å; L1955-I1958 HydrophobicContact CD1-CD1 4.45Å; L1955-I1958 PolarHBondContact O-N 3.07Å; I1958-H1961 PolarHBondContact O-N 3.39Å; I1958-I1964 VanDerWaalsContact CG2-C 3.45Å; I1958-I1964 HydrophobicContact CG2-CB 3.75Å; I1958-I1964 HydrophobicContact CG2-CG2 3.4Å; I1958-I1964 VanDerWaalsContact CG2-CG2 3.4Å; I1958-F1965 HydrophobicContact CB-CB 3.75Å; I1958-F1965 HydrophobicContact CD1-CB 3.79Å; I1958-F1965 HydrophobicContact CD1-CD2 4.09Å; I1958-F1965 HydrophobicContact CD1-CG 4.43Å; I1958-F1965 HydrophobicContact CG1-CB 4.3Å; I1958-F1965 HydrophobicContact CG2-CB 3.9Å; I1958-V1968 HydrophobicContact CD1-CB 3.91Å; I1958-V1968 HydrophobicContact CD1-CG1 3.72Å; I1958-V1968 HydrophobicContact CD1-CG2 4.19Å; I1958-V1968 HydrophobicContact CG2-CG2 3.9Å
1959W44.2Very low49.7Very low95 Ų9550.6 Ų50.636%0.3628%0.283SS..THydrogen-bonded Turntrans-70130.2177.3-168.5-94.9000111.6L1955 R2148 W2149L1955-W1959 PolarHBondContact O-N 3.49Å; L1955-W1959 VanDerWaalsContact O-N 3.16Å; W1959-R2148 HydrophobicContact CH2-CB 3.8Å; W1959-R2148 HydrophobicContact CH2-CG 3.93Å; W1959-R2148 HydrophobicContact CZ2-CG 4.38Å; W1959-R2148 HydrophobicContact CZ3-CB 4.3Å; W1959-W2149 HydrophobicContact CE3-CD2 4.41Å; W1959-W2149 AromaticContact CE3-CE2 3.87Å; W1959-W2149 HydrophobicContact CE3-CG 4.45Å; W1959-W2149 HydrophobicContact CE3-CZ2 4.35Å; W1959-W2149 AromaticContact CE3-NE1 3.65Å; W1959-W2149 HydrophobicContact CH2-CB 4.34Å; W1959-W2149 AromaticContact CH2-CD1 3.33Å; W1959-W2149 AromaticContact CH2-CG 3.79Å; W1959-W2149 HydrophobicContact CH2-CG 3.79Å; W1959-W2149 AromaticContact CH2-NE1 3.8Å; W1959-W2149 AromaticContact CZ2-CD1 3.94Å; W1959-W2149 HydrophobicContact CZ3-CB 4.38Å; W1959-W2149 AromaticContact CZ3-CD1 3.4Å; W1959-W2149 AromaticContact CZ3-CD2 3.92Å; W1959-W2149 HydrophobicContact CZ3-CD2 3.92Å; W1959-W2149 AromaticContact CZ3-CE2 3.81Å; W1959-W2149 AromaticContact CZ3-CG 3.61Å; W1959-W2149 HydrophobicContact CZ3-CG 3.61Å; W1959-W2149 AromaticContact CZ3-NE1 3.51Å
1960P44Very low49.5Very low81 Ų8150.3 Ų50.353%0.52629%0.286SS..THydrogen-bonded Turncis-10726.8442-34.4000114.2E1962 W2149P1960-E1962 PolarHBondContact O-N 2.87Å; P1960-W2149 VanDerWaalsContact C-CZ2 3.49Å; P1960-W2149 PolarHBondContact O-NE1 3.21Å
1961H50.6Low49.3Very low127 Ų12751.2 Ų51.259%0.58830%0.297SS*.  trans-81101.5-175.3-85.1-68.7000113.7I1958 G1963 I1964 F1965 W2149I1958-H1961 PolarHBondContact O-N 3.39Å; H1961-G1963 PolarHBondContact O-N 2.92Å; H1961-I1964 HydrophobicContact CB-CB 4.36Å; H1961-I1964 HydrophobicContact CB-CD1 3.86Å; H1961-I1964 HydrophobicContact CB-CG1 4.03Å; H1961-I1964 PolarHBondContact O-N 2.88Å; H1961-F1965 PolarHBondContact O-N 2.82Å; H1961-W2149 WeakPolarHBondContact O-CH2 3.39Å
1962E49.3Very low49.2Very low81 Ų8151.4 Ų51.438%0.37930%0.298SS..Hα-helixtrans-43.1-65.8-172.6-154.7173.1144.400114.8P1960 I1964 F1965 H1966 W2149 H2150P1960-E1962 PolarHBondContact O-N 2.87Å; E1962-I1964 PolarHBondContact O-N 3.38Å; E1962-I1964 VanDerWaalsContact O-N 3.1Å; E1962-F1965 PolarHBondContact O-N 3.15Å; E1962-H1966 PolarHBondContact O-CD2 2.72Å; E1962-H1966 VanDerWaalsContact O-CD2 3.27Å; E1962-H1966 PolarHBondContact O-N 3.23Å; E1962-W2149 HydrophobicContact CB-CH2 4.37Å; E1962-W2149 HydrophobicContact CB-CZ3 4.39Å; E1962-W2149 HydrophobicContact CG-CE3 4.19Å; E1962-W2149 HydrophobicContact CG-CZ3 4.04Å; E1962-W2149 VanDerWaalsContact O-CH2 3.28Å; E1962-W2149 WeakPolarHBondContact O-CH2 3.31Å; E1962-W2149 WeakPolarHBondContact O-CZ3 3.37Å; E1962-H2150 IonicContact OE1-CE1 3.26Å
1963G44.4Very low49.3Very low48 Ų4852 Ų5250%0.49530%0.299SS..Hα-helixtrans-61.5-23.1-177.400000115.1H1961 T1967H1961-G1963 PolarHBondContact O-N 2.92Å; G1963-T1967 PolarHBondContact O-N 3.39Å; G1963-T1967 PolarHBondContact O-OG1 3.44Å
1964I47.2Very low49.3Very low94 Ų9452 Ų5248%0.48229%0.292SS..Hα-helixtrans-80-43.1-179.6-47.6-178.6000110.2I1958 H1961 E1962 T1967 V1968I1958-I1964 VanDerWaalsContact CG2-C 3.45Å; I1958-I1964 HydrophobicContact CG2-CB 3.75Å; I1958-I1964 HydrophobicContact CG2-CG2 3.4Å; I1958-I1964 VanDerWaalsContact CG2-CG2 3.4Å; H1961-I1964 HydrophobicContact CB-CB 4.36Å; H1961-I1964 HydrophobicContact CB-CD1 3.86Å; H1961-I1964 HydrophobicContact CB-CG1 4.03Å; H1961-I1964 PolarHBondContact O-N 2.88Å; E1962-I1964 PolarHBondContact O-N 3.38Å; E1962-I1964 VanDerWaalsContact O-N 3.1Å; I1964-T1967 WeakPolarHBondContact O-CB 3.2Å; I1964-T1967 PolarHBondContact O-N 3.34Å; I1964-V1968 WeakPolarHBondContact O-CG2 3.41Å; I1964-V1968 PolarHBondContact O-N 3.2Å
1965F60.5Low49.2Very low3 Ų352.7 Ų52.71%0.01330%0.296CS..Hα-helixtrans-69.9-31.6171.6144.8-53.1000112.4L1955 I1958 H1961 E1962 T1967 V1968 L1969 C2145 W2149L1955-F1965 HydrophobicContact CD1-CD2 3.85Å; L1955-F1965 HydrophobicContact CD1-CE2 3.87Å; I1958-F1965 HydrophobicContact CB-CB 3.75Å; I1958-F1965 HydrophobicContact CD1-CB 3.79Å; I1958-F1965 HydrophobicContact CD1-CD2 4.09Å; I1958-F1965 HydrophobicContact CD1-CG 4.43Å; I1958-F1965 HydrophobicContact CG1-CB 4.3Å; I1958-F1965 HydrophobicContact CG2-CB 3.9Å; H1961-F1965 PolarHBondContact O-N 2.82Å; E1962-F1965 PolarHBondContact O-N 3.15Å; F1965-T1967 PolarHBondContact O-N 3.42Å; F1965-V1968 PolarHBondContact O-N 3.15Å; F1965-L1969 HydrophobicContact CD1-CB 4.49Å; F1965-L1969 HydrophobicContact CE1-CB 4.46Å; F1965-L1969 HydrophobicContact CE1-CD1 4.48Å; F1965-L1969 HydrophobicContact CE1-CD2 3.89Å; F1965-L1969 HydrophobicContact CE2-CD1 4.15Å; F1965-L1969 HydrophobicContact CZ-CD1 3.97Å; F1965-L1969 HydrophobicContact CZ-CD2 4.05Å; F1965-L1969 HydrophobicContact CZ-CG 4.48Å; F1965-L1969 WeakPolarHBondContact O-CB 3.36Å; F1965-L1969 PolarHBondContact O-N 2.98Å; F1965-C2145 HydrophobicContact CE2-CB 3.37Å; F1965-C2145 HydrophobicContact CZ-CB 3.58Å; F1965-W2149 HydrophobicContact CB-CH2 3.4Å; F1965-W2149 HydrophobicContact CB-CZ2 4.26Å; F1965-W2149 HydrophobicContact CB-CZ3 3.99Å; F1965-W2149 AromaticContact CD1-CE3 3.98Å; F1965-W2149 HydrophobicContact CD1-CE3 3.98Å; F1965-W2149 AromaticContact CD1-CH2 3.53Å; F1965-W2149 HydrophobicContact CD1-CH2 3.53Å; F1965-W2149 AromaticContact CD1-CZ3 3.11Å; F1965-W2149 HydrophobicContact CD1-CZ3 3.11Å; F1965-W2149 HydrophobicContact CE1-CE3 4.13Å; F1965-W2149 HydrophobicContact CE1-CH2 4.45Å; F1965-W2149 AromaticContact CE1-CZ3 3.69Å; F1965-W2149 HydrophobicContact CE1-CZ3 3.69Å; F1965-W2149 AromaticContact CG-CH2 3.61Å; F1965-W2149 HydrophobicContact CG-CH2 3.61Å; F1965-W2149 AromaticContact CG-CZ3 3.7Å; F1965-W2149 HydrophobicContact CG-CZ3 3.7Å
1966H52.1Low49.3Very low31 Ų3152.1 Ų52.114%0.14429%0.293CS..Hα-helixtrans-54-43.9169-85.5-127.7000111.3E1962 A1970 W2146E1962-H1966 PolarHBondContact O-CD2 2.72Å; E1962-H1966 VanDerWaalsContact O-CD2 3.27Å; E1962-H1966 PolarHBondContact O-N 3.23Å; H1966-A1970 WeakPolarHBondContact O-CB 3.32Å; H1966-A1970 PolarHBondContact O-N 3.1Å; H1966-W2146 AromaticContact CE1-CH2 3.4Å; H1966-W2146 VanDerWaalsContact CE1-CH2 3.4Å; H1966-W2146 WeakPolarHBondContact CE1-CH2 3.05Å; H1966-W2146 AromaticContact CE1-CZ3 3.45Å; H1966-W2146 VanDerWaalsContact CE1-CZ3 3.45Å; H1966-W2146 WeakPolarHBondContact CE1-CZ3 3.42Å; H1966-W2146 AromaticContact NE2-CH2 3.56Å; H1966-W2146 AromaticContact NE2-CZ3 3.37Å; H1966-W2146 WeakPolarHBondContact NE2-CZ3 3.42Å
1967T48.1Very low49.8Very low90 Ų9052.9 Ų52.955%0.55229%0.289SS*.Hα-helixtrans-67.8-45.3179.3-55.90000112.1G1963 I1964 F1965 S1971G1963-T1967 PolarHBondContact O-N 3.39Å; G1963-T1967 PolarHBondContact O-OG1 3.44Å; I1964-T1967 WeakPolarHBondContact O-CB 3.2Å; I1964-T1967 PolarHBondContact O-N 3.34Å; F1965-T1967 PolarHBondContact O-N 3.42Å; T1967-S1971 WeakPolarHBondContact O-CB 3.44Å; T1967-S1971 PolarHBondContact O-N 3.2Å; T1967-S1971 PolarHBondContact O-OG 2.82Å
1968V53.3Low50Low17 Ų1751.7 Ų51.710%0.10329%0.285CS..Hα-helixtrans-65.2-40.2176.5171.40000111.5L1951 L1954 I1958 I1964 F1965 S1971 T1972L1951-V1968 HydrophobicContact CD1-CG1 4.15Å; L1954-V1968 HydrophobicContact CB-CG1 4.07Å; L1954-V1968 HydrophobicContact CD1-CG1 3.53Å; L1954-V1968 HydrophobicContact CD1-CG2 4.35Å; L1954-V1968 HydrophobicContact CG-CG1 4.45Å; I1958-V1968 HydrophobicContact CD1-CB 3.91Å; I1958-V1968 HydrophobicContact CD1-CG1 3.72Å; I1958-V1968 HydrophobicContact CD1-CG2 4.19Å; I1958-V1968 HydrophobicContact CG2-CG2 3.9Å; I1964-V1968 WeakPolarHBondContact O-CG2 3.41Å; I1964-V1968 PolarHBondContact O-N 3.2Å; F1965-V1968 PolarHBondContact O-N 3.15Å; V1968-S1971 PolarHBondContact O-N 3.22Å; V1968-T1972 HydrophobicContact CG1-CG2 4.3Å; V1968-T1972 WeakPolarHBondContact O-CB 3.48Å; V1968-T1972 WeakPolarHBondContact O-CG2 3.15Å; V1968-T1972 PolarHBondContact O-N 3.36Å; V1968-T1972 PolarHBondContact O-OG1 2.67Å
1969L57.4Low50.1Low18 Ų1853.4 Ų53.49%0.09429%0.291CS..Hα-helixtrans-64.6-46.4179.8-165.576.8000111.2L1951 F1965 S1971 T1972 F1973 F2138 A2142L1951-L1969 HydrophobicContact CD1-CD1 3.9Å; L1951-L1969 HydrophobicContact CD2-CD1 3.67Å; L1951-L1969 HydrophobicContact CG-CD1 4.47Å; F1965-L1969 HydrophobicContact CD1-CB 4.49Å; F1965-L1969 HydrophobicContact CE1-CB 4.46Å; F1965-L1969 HydrophobicContact CE1-CD1 4.48Å; F1965-L1969 HydrophobicContact CE1-CD2 3.89Å; F1965-L1969 HydrophobicContact CE2-CD1 4.15Å; F1965-L1969 HydrophobicContact CZ-CD1 3.97Å; F1965-L1969 HydrophobicContact CZ-CD2 4.05Å; F1965-L1969 HydrophobicContact CZ-CG 4.48Å; F1965-L1969 WeakPolarHBondContact O-CB 3.36Å; F1965-L1969 PolarHBondContact O-N 2.98Å; L1969-S1971 VanDerWaalsContact C-N 3.35Å; L1969-S1971 PolarHBondContact O-N 3.03Å; L1969-T1972 PolarHBondContact O-OG1 3.45Å; L1969-F1973 VanDerWaalsContact O-CB 3.25Å; L1969-F1973 WeakPolarHBondContact O-CB 3.25Å; L1969-F1973 PolarHBondContact O-N 2.99Å; L1969-F2138 HydrophobicContact CD1-CE1 4.33Å; L1969-F2138 HydrophobicContact CD1-CZ 3.91Å; L1969-F2138 HydrophobicContact CG-CZ 4.36Å; L1969-F2138 WeakPolarHBondContact O-CZ 3.32Å; L1969-A2142 HydrophobicContact CD1-CB 3.55Å; L1969-A2142 HydrophobicContact CD2-CB 4.19Å; L1969-A2142 HydrophobicContact CG-CB 4.25Å
1970A45.1Very low50.5Low36 Ų3649 Ų4930%0.29827%0.274SS..Hα-helixtrans-61.9-41.9173.300000112H1966 C1974H1966-A1970 WeakPolarHBondContact O-CB 3.32Å; H1966-A1970 PolarHBondContact O-N 3.1Å; A1970-C1974 PolarHBondContact O-N 3.44Å; A1970-C1974 PolarHBondContact O-SG 3.23Å
1971S46.1Very low50.6Low62 Ų6247 Ų4743%0.43426%0.259SS..Hα-helixtrans-65.7-42.9179.9-57.70000112.6T1967 V1968 L1969 C1974 L1975T1967-S1971 WeakPolarHBondContact O-CB 3.44Å; T1967-S1971 PolarHBondContact O-N 3.2Å; T1967-S1971 PolarHBondContact O-OG 2.82Å; V1968-S1971 PolarHBondContact O-N 3.22Å; L1969-S1971 VanDerWaalsContact C-N 3.35Å; L1969-S1971 PolarHBondContact O-N 3.03Å; S1971-C1974 WeakPolarHBondContact O-CB 3.43Å; S1971-C1974 PolarHBondContact O-N 2.71Å; S1971-L1975 PolarHBondContact O-N 2.79Å; S1971-L1975 VanDerWaalsContact O-N 3.07Å
1972T55.7Low50.4Low5 Ų542.7 Ų42.73%0.03124%0.239CC..Hα-helixtrans-76.3-30.5179.447.70000112.4P1947 I1950 V1968 L1969 L1975 A1976 F2138P1947-T1972 VanDerWaalsContact CB-O 3.32Å; P1947-T1972 WeakPolarHBondContact CB-O 3.46Å; I1950-T1972 HydrophobicContact CB-CG2 4.06Å; I1950-T1972 HydrophobicContact CG2-CG2 3.63Å; V1968-T1972 HydrophobicContact CG1-CG2 4.3Å; V1968-T1972 WeakPolarHBondContact O-CB 3.48Å; V1968-T1972 WeakPolarHBondContact O-CG2 3.15Å; V1968-T1972 PolarHBondContact O-N 3.36Å; V1968-T1972 PolarHBondContact O-OG1 2.67Å; L1969-T1972 PolarHBondContact O-OG1 3.45Å; T1972-L1975 PolarHBondContact O-N 2.69Å; T1972-A1976 PolarHBondContact O-N 3.34Å; T1972-F2138 VanDerWaalsContact CB-CE2 3.47Å; T1972-F2138 WeakPolarHBondContact OG1-CE2 3.26Å; T1972-F2138 WeakPolarHBondContact OG1-CZ 3.38Å
1973F52.1Low50.3Low56 Ų5639.9 Ų39.925%0.24623%0.229CC..Hα-helixtrans-61.3-44166.6-175.9-100.8000111.8L1969 L1975 A1976 Y1977 V2135 F2138 L2139L1969-F1973 VanDerWaalsContact O-CB 3.25Å; L1969-F1973 WeakPolarHBondContact O-CB 3.25Å; L1969-F1973 PolarHBondContact O-N 2.99Å; F1973-L1975 VanDerWaalsContact C-N 3.35Å; F1973-L1975 PolarHBondContact O-N 3.43Å; F1973-A1976 WeakPolarHBondContact O-CB 3.42Å; F1973-A1976 PolarHBondContact O-N 2.75Å; F1973-A1976 VanDerWaalsContact O-N 3.15Å; F1973-Y1977 PolarHBondContact O-N 2.71Å; F1973-V2135 HydrophobicContact CD2-CG1 4.12Å; F1973-V2135 HydrophobicContact CE2-CG1 3.5Å; F1973-V2135 HydrophobicContact CZ-CG1 4.26Å; F1973-F2138 HydrophobicContact CB-CD1 4.33Å; F1973-F2138 HydrophobicContact CB-CE1 3.62Å; F1973-F2138 HydrophobicContact CB-CZ 4.07Å; F1973-F2138 AromaticContact CD2-CD1 3.88Å; F1973-F2138 HydrophobicContact CD2-CD1 3.88Å; F1973-F2138 AromaticContact CD2-CE1 3.86Å; F1973-F2138 HydrophobicContact CD2-CE1 3.86Å; F1973-F2138 HydrophobicContact CG-CE1 4.25Å; F1973-L2139 HydrophobicContact CD2-CD2 4.09Å; F1973-L2139 HydrophobicContact CE2-CD1 4.37Å; F1973-L2139 HydrophobicContact CE2-CD2 3.8Å; F1973-L2139 HydrophobicContact CE2-CG 4.16Å
1974C46.4Very low50.2Low39 Ų3938.8 Ų38.826%0.26421%0.213SC..Hα-helixtrans-60.8-42.2174.7-69.10000111.8A1970 S1971 A1976 Y1977 I1978A1970-C1974 PolarHBondContact O-N 3.44Å; A1970-C1974 PolarHBondContact O-SG 3.23Å; S1971-C1974 WeakPolarHBondContact O-CB 3.43Å; S1971-C1974 PolarHBondContact O-N 2.71Å; C1974-A1976 PolarHBondContact O-N 3.35Å; C1974-Y1977 PolarHBondContact O-N 2.98Å; C1974-I1978 WeakPolarHBondContact O-CB 3.26Å; C1974-I1978 WeakPolarHBondContact O-CD1 3.29Å; C1974-I1978 VanDerWaalsContact O-CG1 3.26Å; C1974-I1978 WeakPolarHBondContact O-CG1 3.43Å; C1974-I1978 PolarHBondContact O-N 3.46Å
1975L49.9Very low49.8Very low79 Ų7936.2 Ų36.241%0.41420%0.201SC..Hα-helixtrans-60.5-41.9172.3-102.177.8000112.2P1947 I1950 S1971 T1972 F1973 Y1977 I1978 R1979P1947-L1975 HydrophobicContact CB-CB 4.11Å; P1947-L1975 HydrophobicContact CG-CB 4.41Å; I1950-L1975 HydrophobicContact CD1-CD2 3.62Å; S1971-L1975 PolarHBondContact O-N 2.79Å; S1971-L1975 VanDerWaalsContact O-N 3.07Å; T1972-L1975 PolarHBondContact O-N 2.69Å; F1973-L1975 VanDerWaalsContact C-N 3.35Å; F1973-L1975 PolarHBondContact O-N 3.43Å; L1975-Y1977 VanDerWaalsContact C-N 3.33Å; L1975-Y1977 PolarHBondContact O-N 3.47Å; L1975-I1978 PolarHBondContact O-N 3.25Å; L1975-R1979 WeakPolarHBondContact O-CB 3.35Å; L1975-R1979 PolarHBondContact O-N 3.38Å
1976A52.9Low48.8Very low3 Ų338.4 Ų38.43%0.02521%0.211CC..Hα-helixtrans-59.7-44.7177.300000111.8P1947 T1972 F1973 C1974 A1980 V2135P1947-A1976 HydrophobicContact CB-CB 4.13Å; P1947-A1976 HydrophobicContact CG-CB 3.56Å; T1972-A1976 PolarHBondContact O-N 3.34Å; F1973-A1976 WeakPolarHBondContact O-CB 3.42Å; F1973-A1976 PolarHBondContact O-N 2.75Å; F1973-A1976 VanDerWaalsContact O-N 3.15Å; C1974-A1976 PolarHBondContact O-N 3.35Å; A1976-A1980 WeakPolarHBondContact O-CB 3.46Å; A1976-A1980 PolarHBondContact O-N 3.47Å; A1976-V2135 HydrophobicContact CB-CG2 4.24Å
1977Y49.4Very low48.2Very low74 Ų7442.9 Ų42.929%0.2924%0.236SC..Hα-helixtrans-67.3-44.4179-160.4-101.6000112.4F1973 C1974 L1975 A1980 L1981 I2131 L2230F1973-Y1977 PolarHBondContact O-N 2.71Å; C1974-Y1977 PolarHBondContact O-N 2.98Å; L1975-Y1977 VanDerWaalsContact C-N 3.33Å; L1975-Y1977 PolarHBondContact O-N 3.47Å; Y1977-A1980 PolarHBondContact O-N 3.31Å; Y1977-L1981 HydrophobicContact CD1-CD1 3.83Å; Y1977-L1981 HydrophobicContact CE1-CD1 3.71Å; Y1977-L1981 PolarHBondContact O-N 3.49Å; Y1977-I2131 HydrophobicContact CD2-CG2 4.27Å; Y1977-I2131 HydrophobicContact CE2-CG2 4.02Å; Y1977-L2230 HydrophobicContact CE1-CD1 4.4Å
1978I49.3Very low47.4Very low39 Ų3944 Ų4420%0.223%0.23CC..Hα-helixtrans-62.8-45176.1-70.8164.5000111.2C1974 L1975 A1980 L1981 I1982 L2015C1974-I1978 WeakPolarHBondContact O-CB 3.26Å; C1974-I1978 WeakPolarHBondContact O-CD1 3.29Å; C1974-I1978 VanDerWaalsContact O-CG1 3.26Å; C1974-I1978 WeakPolarHBondContact O-CG1 3.43Å; C1974-I1978 PolarHBondContact O-N 3.46Å; L1975-I1978 PolarHBondContact O-N 3.25Å; I1978-A1980 VanDerWaalsContact C-N 3.35Å; I1978-A1980 PolarHBondContact O-N 2.81Å; I1978-L1981 WeakPolarHBondContact O-CB 3.11Å; I1978-L1981 PolarHBondContact O-N 2.89Å; I1978-I1982 HydrophobicContact CG2-CD1 3.73Å; I1978-I1982 HydrophobicContact CG2-CG1 4.41Å; I1978-I1982 WeakPolarHBondContact O-CG1 3.43Å; I1978-I1982 PolarHBondContact O-N 2.84Å; I1978-L2015 HydrophobicContact CD1-CD1 3.86Å; I1978-L2015 HydrophobicContact CG1-CD1 3.66Å
1979R53.8Low46.2Very low44 Ų4446.6 Ų46.617%0.16625%0.249CC..Hα-helixtrans-66.6-33.9179.6178.3175.6153.290.6-14.9112.6L1943 L1944 Q1945 D1946 L1975 S1983L1943-R1979 PolarHBondContact O-NH1 3.02Å; L1944-R1979 VanDerWaalsContact CA-NH1 3.35Å; L1944-R1979 PolarHBondContact O-NH1 2.86Å; L1944-R1979 PolarHBondContact O-NH2 3.48Å; Q1945-R1979 PolarHBondContact O-NE 2.81Å; Q1945-R1979 PolarHBondContact O-NH1 2.86Å; Q1945-R1979 PolarHBondContact O-NH2 3.18Å; D1946-R1979 IonicContact OD2-CZ 2.59Å; D1946-R1979 IonicContact OD2-NE 3.92Å; D1946-R1979 IonicContact OD2-NH2 3.22Å; D1946-R1979 PolarHBondContact OD2-NH2 3.16Å; L1975-R1979 WeakPolarHBondContact O-CB 3.35Å; L1975-R1979 PolarHBondContact O-N 3.38Å; R1979-S1983 WeakPolarHBondContact O-CB 3.25Å; R1979-S1983 PolarHBondContact O-N 2.89Å; R1979-S1983 PolarHBondContact O-OG 3.27Å
1980A52.2Low44.8Very low1 Ų153.1 Ų53.11%0.00829%0.29CS..Hα-helixtrans-66.6-45.7170.300000111.7A1976 Y1977 I1978 S1983 V1984 I2131 R2134A1976-A1980 WeakPolarHBondContact O-CB 3.46Å; A1976-A1980 PolarHBondContact O-N 3.47Å; Y1977-A1980 PolarHBondContact O-N 3.31Å; I1978-A1980 VanDerWaalsContact C-N 3.35Å; I1978-A1980 PolarHBondContact O-N 2.81Å; A1980-S1983 PolarHBondContact O-N 2.89Å; A1980-V1984 WeakPolarHBondContact O-CG2 3.28Å; A1980-V1984 PolarHBondContact O-N 2.84Å; A1980-I2131 HydrophobicContact CB-CG1 4.1Å; A1980-R2134 HydrophobicContact CB-CB 4.06Å; A1980-R2134 HydrophobicContact CB-CG 4.49Å
1981L47.6Very low44Very low40 Ų4056 Ų5621%0.20931%0.307CS..Hα-helixtrans-57.6-48.3174.4-95.1157.5000112.5Y1977 I1978 S1983 V1984 T1985Y1977-L1981 HydrophobicContact CD1-CD1 3.83Å; Y1977-L1981 HydrophobicContact CE1-CD1 3.71Å; Y1977-L1981 PolarHBondContact O-N 3.49Å; I1978-L1981 WeakPolarHBondContact O-CB 3.11Å; I1978-L1981 PolarHBondContact O-N 2.89Å; L1981-S1983 VanDerWaalsContact C-N 3.34Å; L1981-S1983 PolarHBondContact O-N 3.16Å; L1981-V1984 PolarHBondContact O-N 3.44Å; L1981-V1984 VanDerWaalsContact O-N 3.15Å; L1981-T1985 PolarHBondContact O-N 2.89Å; L1981-T1985 PolarHBondContact O-OG1 3.43Å
1982I46.7Very low43.2Very low36 Ų3657.9 Ų57.919%0.18532%0.321CS..Hα-helixtrans-63.1-40177.6-69.1170.5000111.2L1943 I1978 V1984 T1985 F1986 L2022L1943-I1982 HydrophobicContact CD2-CD1 4.35Å; I1978-I1982 HydrophobicContact CG2-CD1 3.73Å; I1978-I1982 HydrophobicContact CG2-CG1 4.41Å; I1978-I1982 WeakPolarHBondContact O-CG1 3.43Å; I1978-I1982 PolarHBondContact O-N 2.84Å; I1982-V1984 VanDerWaalsContact C-N 3.28Å; I1982-V1984 PolarHBondContact O-N 3.25Å; I1982-T1985 PolarHBondContact O-N 2.8Å; I1982-T1985 PolarHBondContact O-OG1 3.38Å; I1982-F1986 HydrophobicContact CG2-CD2 3.98Å; I1982-F1986 PolarHBondContact O-N 2.88Å; I1982-L2022 HydrophobicContact CD1-CD2 3.98Å
1983S45.5Very low41.9Very low23 Ų2363.5 Ų63.516%0.16136%0.355CS..Hα-helixtrans-61.8-36.5174.8-61.20000112R1979 A1980 L1981 N1987R1979-S1983 WeakPolarHBondContact O-CB 3.25Å; R1979-S1983 PolarHBondContact O-N 2.89Å; R1979-S1983 PolarHBondContact O-OG 3.27Å; A1980-S1983 PolarHBondContact O-N 2.89Å; L1981-S1983 VanDerWaalsContact C-N 3.34Å; L1981-S1983 PolarHBondContact O-N 3.16Å; S1983-N1987 WeakPolarHBondContact O-CB 3.35Å; S1983-N1987 PolarHBondContact O-N 2.84Å
1984V43.2Very low40.8Very low25 Ų2566.7 Ų66.715%0.15238%0.383CS..Hα-helixtrans-72.4-36.3177.1166.60000112.4A1980 L1981 I1982 I2127 H2130A1980-V1984 WeakPolarHBondContact O-CG2 3.28Å; A1980-V1984 PolarHBondContact O-N 2.84Å; L1981-V1984 PolarHBondContact O-N 3.44Å; L1981-V1984 VanDerWaalsContact O-N 3.15Å; I1982-V1984 VanDerWaalsContact C-N 3.28Å; I1982-V1984 PolarHBondContact O-N 3.25Å; V1984-I2127 HydrophobicContact CG1-CB 4.36Å; V1984-I2127 HydrophobicContact CG1-CD1 3.99Å; V1984-I2127 HydrophobicContact CG1-CG1 3.76Å; V1984-I2127 HydrophobicContact CG1-CG2 4.04Å; V1984-I2127 HydrophobicContact CG2-CG2 4.44Å; V1984-H2130 HydrophobicContact CG2-CB 3.9Å
1985T39.3Very low40.1Very low39 Ų3974.5 Ų74.524%0.23941%0.413CS..Hα-helixtrans-84.9-32.3-175.654.10000114.5L1981 I1982 T2004L1981-T1985 PolarHBondContact O-N 2.89Å; L1981-T1985 PolarHBondContact O-OG1 3.43Å; I1982-T1985 PolarHBondContact O-N 2.8Å; I1982-T1985 PolarHBondContact O-OG1 3.38Å; T1985-T2004 HydrophobicContact CG2-CG2 4.29Å
1986F38.9Very low39.8Very low50 Ų5075 Ų7522%0.21942%0.416CS..Hα-helixtrans-102-29.4-176.5-73.5-86.4000114.5I1982 R1988 L1997 L2026I1982-F1986 HydrophobicContact CG2-CD2 3.98Å; I1982-F1986 PolarHBondContact O-N 2.88Å; F1986-R1988 PolarHBondContact O-N 3.47Å; F1986-L1997 HydrophobicContact CE1-CD1 4.23Å; F1986-L2026 HydrophobicContact CE1-CD1 4.44Å; F1986-L2026 HydrophobicContact CZ-CD1 3.82Å
1987N38.7Very low39.3Very low125 Ų12577.4 Ų77.467%0.66843%0.428SS*.  trans-85.238.9-168.6-151.223.1000114.1S1983S1983-N1987 WeakPolarHBondContact O-CB 3.35Å; S1983-N1987 PolarHBondContact O-N 2.84Å
1988R32.5Very low39.1Very low113 Ų11377.5 Ų77.543%0.42644%0.436SS..  trans-124.555.6-179.5-89.2-170.6164.9-159.3-1.8112.4F1986 Y2122F1986-R1988 PolarHBondContact O-N 3.47Å; R1988-Y2122 WeakPolarHBondContact CD-OH 3.2Å; R1988-Y2122 PolarHBondContact NH1-OH 3.38Å
1989S27.2Very low39Very low71 Ų7182.7 Ų82.750%0.49746%0.457SS..  trans-157.585.8164.9540000112.2S1991S1989-S1991 PolarHBondContact O-N 3.44Å; S1989-S1991 VanDerWaalsContact O-N 3.11Å
1990T27.7Very low38.6Very low155 Ų15582.7 Ų82.795%0.95146%0.459SS*.  trans-83.458.3164.951.90000110.4
1991S28.3Very low38.6Very low96 Ų9682.8 Ų82.867%0.67146%0.459SS*.SBendtrans-152.4152.5173.960.30000108.7S1989S1989-S1991 PolarHBondContact O-N 3.44Å; S1989-S1991 VanDerWaalsContact O-N 3.11Å
1992S29.9Very low38.9Very low102 Ų10285.4 Ų85.471%0.71347%0.474SS*.  trans-66158.6-165.855.50000116.3
1993T28.4Very low39Very low124 Ų12491.7 Ų91.776%0.76150%0.495SS*.SBendtrans65.5142.3154.343.20000119.9F1995T1993-F1995 VanDerWaalsContact C-N 3.28Å; T1993-F1995 PolarHBondContact O-N 3.28Å
1994C29.4Very low39.2Very low122 Ų12291.2 Ų91.282%0.82449%0.491SS*.SBendtrans-69.54.6-151.5-55.90000118.6N1996C1994-N1996 VanDerWaalsContact C-N 3.26Å; C1994-N1996 PolarHBondContact O-N 3.37Å
1995F30.9Very low39.6Very low204 Ų20493.6 Ų93.690%0.89550%0.5SS*.THydrogen-bonded Turntrans-76.29.5-161.5-104.6-82.7000117.3T1993T1993-F1995 VanDerWaalsContact C-N 3.28Å; T1993-F1995 PolarHBondContact O-N 3.28Å
1996N44.2Very low40.3Very low90 Ų9099.5 Ų99.548%0.48152%0.519SS..THydrogen-bonded Turntrans-115.11.5-177.5-97.8-67.8000115.9C1994 V1998 K1999 Q2000C1994-N1996 VanDerWaalsContact C-N 3.26Å; C1994-N1996 PolarHBondContact O-N 3.37Å; N1996-V1998 PolarHBondContact O-N 2.89Å; N1996-K1999 WeakPolarHBondContact O-CB 3.34Å; N1996-K1999 PolarHBondContact O-N 3.2Å; N1996-K1999 WeakPolarHBondContact OD1-CD 3.36Å; N1996-Q2000 PolarHBondContact O-N 3.4Å
1997L42Very low40.6Very low53 Ų53101.5 Ų101.528%0.27753%0.531SS..Hα-helixtrans-58.8-45.3-174.3-167.171.1000112.4F1986 K1999 Q2000 I2001 N2030F1986-L1997 HydrophobicContact CE1-CD1 4.23Å; L1997-K1999 VanDerWaalsContact C-N 3.27Å; L1997-K1999 PolarHBondContact O-N 3.37Å; L1997-Q2000 PolarHBondContact O-N 2.63Å; L1997-Q2000 VanDerWaalsContact O-N 3.16Å; L1997-I2001 HydrophobicContact CD2-CD1 4.26Å; L1997-I2001 HydrophobicContact CG-CD1 3.85Å; L1997-I2001 HydrophobicContact CG-CG1 4.4Å; L1997-I2001 WeakPolarHBondContact O-CB 3.44Å; L1997-I2001 WeakPolarHBondContact O-CG1 3.32Å; L1997-I2001 PolarHBondContact O-N 3.19Å; L1997-N2030 HydrophobicContact CD2-CB 4.43Å
1998V44.7Very low41Very low75 Ų7595.8 Ų95.846%0.45550%0.501SS..Hα-helixtrans-54.4-40.8173.2-178.40000112.5N1996 N2002 N2030N1996-V1998 PolarHBondContact O-N 2.89Å; V1998-N2002 WeakPolarHBondContact O-CB 3.37Å; V1998-N2002 PolarHBondContact O-N 2.82Å; V1998-N2002 PolarHBondContact O-ND2 3.2Å; V1998-N2030 WeakPolarHBondContact CG2-ND2 3.4Å; V1998-N2030 WeakPolarHBondContact CG2-OD1 3.48Å
1999K47.4Very low41.7Very low149 Ų14992.6 Ų92.665%0.64850%0.503SS*.Hα-helixtrans-71.8-35.6-178.2-132.8170.3-170.6169.30111.5N1996 L1997 R2003N1996-K1999 WeakPolarHBondContact O-CB 3.34Å; N1996-K1999 PolarHBondContact O-N 3.2Å; N1996-K1999 WeakPolarHBondContact OD1-CD 3.36Å; L1997-K1999 VanDerWaalsContact C-N 3.27Å; L1997-K1999 PolarHBondContact O-N 3.37Å; K1999-R2003 WeakPolarHBondContact O-CB 3.45Å; K1999-R2003 PolarHBondContact O-N 3.31Å; K1999-R2003 VanDerWaalsContact O-N 3.15Å
2000Q45.9Very low42.5Very low43 Ų4397.1 Ų97.120%0.20151%0.514CS..Hα-helixtrans-71.5-44.8172.4-69.3-178.6-8.400111.9N1996 L1997 N2002 R2003 T2004N1996-Q2000 PolarHBondContact O-N 3.4Å; L1997-Q2000 PolarHBondContact O-N 2.63Å; L1997-Q2000 VanDerWaalsContact O-N 3.16Å; Q2000-N2002 PolarHBondContact O-N 3.23Å; Q2000-R2003 PolarHBondContact O-N 3.19Å; Q2000-T2004 WeakPolarHBondContact O-CB 3.25Å; Q2000-T2004 PolarHBondContact O-N 2.76Å; Q2000-T2004 PolarHBondContact O-OG1 3.33Å
2001I52.9Low43Very low3 Ų391.7 Ų91.72%0.01548%0.479CS..Hα-helixtrans-57.9-47.4176-71.7168.1000110.5L1997 T2004 K2005 L2023 L2026L1997-I2001 HydrophobicContact CD2-CD1 4.26Å; L1997-I2001 HydrophobicContact CG-CD1 3.85Å; L1997-I2001 HydrophobicContact CG-CG1 4.4Å; L1997-I2001 WeakPolarHBondContact O-CB 3.44Å; L1997-I2001 WeakPolarHBondContact O-CG1 3.32Å; L1997-I2001 PolarHBondContact O-N 3.19Å; I2001-T2004 CarbonylContact O-C 3.37Å; I2001-T2004 PolarHBondContact O-N 2.89Å; I2001-T2004 VanDerWaalsContact O-N 3.17Å; I2001-K2005 HydrophobicContact CG2-CD 4.24Å; I2001-K2005 PolarHBondContact O-N 2.81Å; I2001-L2023 HydrophobicContact CB-CD2 4.42Å; I2001-L2023 HydrophobicContact CG1-CD2 4.23Å; I2001-L2023 HydrophobicContact CG2-CD2 4.23Å; I2001-L2026 HydrophobicContact CD1-CB 4.05Å; I2001-L2026 VanDerWaalsContact CD1-O 3.24Å; I2001-L2026 WeakPolarHBondContact CD1-O 3.26Å; I2001-L2026 HydrophobicContact CG1-CB 4.49Å
2002N53.6Low43.1Very low96 Ų9690.3 Ų90.351%0.51347%0.469SS..Hα-helixtrans-68.7-37.3179.8-75.2-26.6000113.1V1998 Q2000 T2004 K2005 Y2006V1998-N2002 WeakPolarHBondContact O-CB 3.37Å; V1998-N2002 PolarHBondContact O-N 2.82Å; V1998-N2002 PolarHBondContact O-ND2 3.2Å; Q2000-N2002 PolarHBondContact O-N 3.23Å; N2002-T2004 VanDerWaalsContact C-N 3.3Å; N2002-T2004 PolarHBondContact O-N 3.21Å; N2002-K2005 PolarHBondContact O-N 3.42Å; N2002-Y2006 PolarHBondContact O-N 2.76Å
2003R47.9Very low44Very low168 Ų16887.4 Ų87.463%0.63446%0.455SS*.Hα-helixtrans-62.9-36.4169.6-106.4178.2168.1165-4.8112.3K1999 Q2000 Y2006 L2007K1999-R2003 WeakPolarHBondContact O-CB 3.45Å; K1999-R2003 PolarHBondContact O-N 3.31Å; K1999-R2003 VanDerWaalsContact O-N 3.15Å; Q2000-R2003 PolarHBondContact O-N 3.19Å; R2003-Y2006 PolarHBondContact O-N 3.34Å; R2003-L2007 WeakPolarHBondContact O-CG 3.38Å; R2003-L2007 PolarHBondContact O-N 3.46Å
2004T49.6Very low44.6Very low13 Ų1385.7 Ų85.78%0.0844%0.444CS..Hα-helixtrans-75.1-38.5179.5-45.90000111T1985 Q2000 I2001 N2002 Y2006 L2007 L2008 L2023T1985-T2004 HydrophobicContact CG2-CG2 4.29Å; Q2000-T2004 WeakPolarHBondContact O-CB 3.25Å; Q2000-T2004 PolarHBondContact O-N 2.76Å; Q2000-T2004 PolarHBondContact O-OG1 3.33Å; I2001-T2004 CarbonylContact O-C 3.37Å; I2001-T2004 PolarHBondContact O-N 2.89Å; I2001-T2004 VanDerWaalsContact O-N 3.17Å; N2002-T2004 VanDerWaalsContact C-N 3.3Å; N2002-T2004 PolarHBondContact O-N 3.21Å; T2004-Y2006 VanDerWaalsContact C-N 3.31Å; T2004-Y2006 PolarHBondContact O-N 3.25Å; T2004-L2007 PolarHBondContact O-N 2.91Å; T2004-L2007 VanDerWaalsContact O-N 3.13Å; T2004-L2008 HydrophobicContact CG2-CD1 3.95Å; T2004-L2008 VanDerWaalsContact O-CD1 3.23Å; T2004-L2008 WeakPolarHBondContact O-CD1 3.33Å; T2004-L2008 PolarHBondContact O-N 3.01Å; T2004-L2023 HydrophobicContact CG2-CD1 3.76Å; T2004-L2023 HydrophobicContact CG2-CD2 4.1Å; T2004-L2023 HydrophobicContact CG2-CG 4.48Å
2005K53.3Low45.2Very low74 Ų7481 Ų8132%0.32241%0.411SS..Hα-helixtrans-58.7-39.8169.1-76.2-177171.6-177.90111.8I2001 N2002 L2008 G2009 L2023 N2024I2001-K2005 HydrophobicContact CG2-CD 4.24Å; I2001-K2005 PolarHBondContact O-N 2.81Å; N2002-K2005 PolarHBondContact O-N 3.42Å; K2005-L2008 PolarHBondContact O-N 3.47Å; K2005-G2009 PolarHBondContact O-N 3.43Å; K2005-G2009 VanDerWaalsContact O-N 3.11Å; K2005-L2023 HydrophobicContact CG-CB 4.42Å; K2005-L2023 HydrophobicContact CG-CD1 4.18Å; K2005-N2024 WeakPolarHBondContact CE-OD1 3.48Å; K2005-N2024 PolarHBondContact NZ-OD1 3.23Å
2006Y53.9Low46.2Very low163 Ų16375.1 Ų75.164%0.63938%0.383SS*.Hα-helixtrans-63.7-40.1172.4-179.8-94.4000113N2002 R2003 T2004 G2009N2002-Y2006 PolarHBondContact O-N 2.76Å; R2003-Y2006 PolarHBondContact O-N 3.34Å; T2004-Y2006 VanDerWaalsContact C-N 3.31Å; T2004-Y2006 PolarHBondContact O-N 3.25Å; Y2006-G2009 PolarHBondContact O-N 3.36Å
2007L44.7Very low46.4Very low92 Ų9277.9 Ų77.948%0.48239%0.39SS..Hα-helixtrans-68.7-39.4174.9-75165.4000112.7R2003 T2004 G2009 K2010R2003-L2007 WeakPolarHBondContact O-CG 3.38Å; R2003-L2007 PolarHBondContact O-N 3.46Å; T2004-L2007 PolarHBondContact O-N 2.91Å; T2004-L2007 VanDerWaalsContact O-N 3.13Å; L2007-G2009 PolarHBondContact O-N 3.4Å; L2007-K2010 PolarHBondContact O-N 3.09Å
2008L47Very low46.7Very low6 Ų681.3 Ų81.33%0.03141%0.405CS..Hα-helixtrans-60.5-29.5172.2-98.473.2000112.8T2004 K2005 K2010 I2011 R2016 L2019 E2020 L2023T2004-L2008 HydrophobicContact CG2-CD1 3.95Å; T2004-L2008 VanDerWaalsContact O-CD1 3.23Å; T2004-L2008 WeakPolarHBondContact O-CD1 3.33Å; T2004-L2008 PolarHBondContact O-N 3.01Å; K2005-L2008 PolarHBondContact O-N 3.47Å; L2008-K2010 PolarHBondContact O-N 2.89Å; L2008-I2011 PolarHBondContact O-N 3.3Å; L2008-I2011 VanDerWaalsContact O-O 3.11Å; L2008-R2016 PolarHBondContact O-NH1 3.36Å; L2008-R2016 VanDerWaalsContact O-NH1 3.1Å; L2008-L2019 HydrophobicContact CD1-CB 4Å; L2008-L2019 HydrophobicContact CD1-CD1 4.29Å; L2008-L2019 HydrophobicContact CD2-CB 3.57Å; L2008-L2019 HydrophobicContact CG-CB 4.02Å; L2008-E2020 HydrophobicContact CD2-CB 4.3Å; L2008-E2020 HydrophobicContact CD2-CG 3.81Å; L2008-L2023 HydrophobicContact CD1-CD1 3.64Å; L2008-L2023 HydrophobicContact CD2-CD1 3.72Å; L2008-L2023 HydrophobicContact CG-CD1 4.28Å
2009G47.3Very low46.9Very low46 Ų4678.7 Ų78.747%0.47439%0.388SS..THydrogen-bonded Turntrans-51.2-28.9170.900000113.2K2005 Y2006 L2007 R2016K2005-G2009 PolarHBondContact O-N 3.43Å; K2005-G2009 VanDerWaalsContact O-N 3.11Å; Y2006-G2009 PolarHBondContact O-N 3.36Å; L2007-G2009 PolarHBondContact O-N 3.4Å; G2009-R2016 PolarHBondContact O-NH1 3.08Å
2010K44.6Very low47.3Very low165 Ų16574.4 Ų74.472%0.71737%0.37SS*.THydrogen-bonded Turntrans-97.44.6178.4-56.8-169179-174.20114.6L2007 L2008L2007-K2010 PolarHBondContact O-N 3.09Å; L2008-K2010 PolarHBondContact O-N 2.89Å
2011I36.9Very low47.7Very low42 Ų4277.8 Ų77.822%0.21539%0.39CS..  trans-110.4138.1176.7-56.5175.9000108.8L2008 L2015 R2016L2008-I2011 PolarHBondContact O-N 3.3Å; L2008-I2011 VanDerWaalsContact O-O 3.11Å; I2011-L2015 HydrophobicContact CG2-CD2 4.42Å; I2011-R2016 HydrophobicContact CG2-CB 4.38Å; I2011-R2016 VanDerWaalsContact O-CD 3.24Å; I2011-R2016 WeakPolarHBondContact O-CD 3.45Å; I2011-R2016 WeakPolarHBondContact O-CG 3.24Å; I2011-R2016 PolarHBondContact O-NH1 3.01Å
2012S30.6Very low47.4Very low66 Ų6680 Ų8046%0.46240%0.401SS..  trans-109.1166.6178.553.60000112.6G2229S2012-G2229 PolarHBondContact OG-O 3.02Å
2013G47.8Very low47.4Very low41 Ų4175.6 Ų75.642%0.42338%0.378SS..Hα-helixtrans80.9-162.5166.800000116.1L2015 R2016G2013-L2015 VanDerWaalsContact C-N 3.27Å; G2013-L2015 PolarHBondContact O-N 3.44Å; G2013-R2016 WeakPolarHBondContact O-CB 3.5Å; G2013-R2016 PolarHBondContact O-N 3.26Å; G2013-R2016 VanDerWaalsContact O-N 3.17Å
2014V41.3Very low47.7Very low88 Ų8870.9 Ų70.953%0.53337%0.365SS..Hα-helixtrans-65.7-30.4-172.5178.40000112.3R2016 K2017 H2018V2014-R2016 VanDerWaalsContact C-N 3.33Å; V2014-K2017 PolarHBondContact O-N 3.05Å; V2014-H2018 PolarHBondContact O-N 3.06Å; V2014-H2018 VanDerWaalsContact O-N 3.16Å; V2014-H2018 PolarHBondContact O-ND1 2.71Å
2015L42.5Very low47.5Very low24 Ų2474.6 Ų74.613%0.12638%0.378CS..Hα-helixtrans-62.5-39.9175.1-165.170.8000111.8I1978 I2011 G2013 H2018 L2019 L2230I1978-L2015 HydrophobicContact CD1-CD1 3.86Å; I1978-L2015 HydrophobicContact CG1-CD1 3.66Å; I2011-L2015 HydrophobicContact CG2-CD2 4.42Å; G2013-L2015 VanDerWaalsContact C-N 3.27Å; G2013-L2015 PolarHBondContact O-N 3.44Å; L2015-H2018 PolarHBondContact O-N 3.09Å; L2015-L2019 HydrophobicContact CG-CD1 4.24Å; L2015-L2019 WeakPolarHBondContact O-CG 3.33Å; L2015-L2019 PolarHBondContact O-N 3Å; L2015-L2019 VanDerWaalsContact O-N 3.09Å; L2015-L2230 HydrophobicContact CD2-CD2 4.06Å
2016R52.5Low47.1Very low81 Ų8173.1 Ų73.131%0.30637%0.374SS..Hα-helixtrans-60.2-48.8175.5-170.7-156.9176.5109.5-4.4111.1L2008 G2009 I2011 G2013 V2014 H2018 L2019 E2020L2008-R2016 PolarHBondContact O-NH1 3.36Å; L2008-R2016 VanDerWaalsContact O-NH1 3.1Å; G2009-R2016 PolarHBondContact O-NH1 3.08Å; I2011-R2016 HydrophobicContact CG2-CB 4.38Å; I2011-R2016 VanDerWaalsContact O-CD 3.24Å; I2011-R2016 WeakPolarHBondContact O-CD 3.45Å; I2011-R2016 WeakPolarHBondContact O-CG 3.24Å; I2011-R2016 PolarHBondContact O-NH1 3.01Å; G2013-R2016 WeakPolarHBondContact O-CB 3.5Å; G2013-R2016 PolarHBondContact O-N 3.26Å; G2013-R2016 VanDerWaalsContact O-N 3.17Å; V2014-R2016 VanDerWaalsContact C-N 3.33Å; R2016-H2018 PolarHBondContact O-N 3.49Å; R2016-L2019 CarbonylContact O-C 3.11Å; R2016-L2019 PolarHBondContact O-N 2.94Å; R2016-E2020 IonicContact CZ-OE1 3.94Å; R2016-E2020 IonicContact NE-OE1 2.71Å; R2016-E2020 PolarHBondContact NE-OE1 3.17Å; R2016-E2020 IonicContact NE-OE2 3.47Å; R2016-E2020 IonicContact NH2-OE1 3.07Å; R2016-E2020 PolarHBondContact NH2-OE1 3.37Å; R2016-E2020 WeakPolarHBondContact O-CB 3.36Å; R2016-E2020 PolarHBondContact O-N 3.33Å
2017K48.9Very low46.7Very low148 Ų14867.6 Ų67.664%0.64336%0.359SS*.Hα-helixtrans-61.5-39.9178.8-84.2-167.8171.4-173.80113.4V2014 E2020 N2021V2014-K2017 PolarHBondContact O-N 3.05Å; K2017-E2020 PolarHBondContact O-N 2.89Å; K2017-N2021 PolarHBondContact O-N 3.31Å
2018H46.5Very low46.6Very low125 Ų12569 Ų6958%0.57936%0.363SS*.Hα-helixtrans-65.4-42.2176.4-78.383.2000111.8V2014 L2015 R2016 L2022V2014-H2018 PolarHBondContact O-N 3.06Å; V2014-H2018 VanDerWaalsContact O-N 3.16Å; V2014-H2018 PolarHBondContact O-ND1 2.71Å; L2015-H2018 PolarHBondContact O-N 3.09Å; R2016-H2018 PolarHBondContact O-N 3.49Å; H2018-L2022 WeakPolarHBondContact O-CB 3.35Å; H2018-L2022 PolarHBondContact O-N 2.89Å
2019L50.2Low46.2Very low20 Ų2071.5 Ų71.511%0.10538%0.376CS..Hα-helixtrans-72.5-31.7176.4-66.3167.9000112.4L2008 L2015 R2016 L2022 L2023L2008-L2019 HydrophobicContact CD1-CB 4Å; L2008-L2019 HydrophobicContact CD1-CD1 4.29Å; L2008-L2019 HydrophobicContact CD2-CB 3.57Å; L2008-L2019 HydrophobicContact CG-CB 4.02Å; L2015-L2019 HydrophobicContact CG-CD1 4.24Å; L2015-L2019 WeakPolarHBondContact O-CG 3.33Å; L2015-L2019 PolarHBondContact O-N 3Å; L2015-L2019 VanDerWaalsContact O-N 3.09Å; R2016-L2019 CarbonylContact O-C 3.11Å; R2016-L2019 PolarHBondContact O-N 2.94Å; L2019-L2022 PolarHBondContact O-N 3.46Å; L2019-L2023 VanDerWaalsContact O-CB 3.26Å; L2019-L2023 WeakPolarHBondContact O-CB 3.4Å; L2019-L2023 WeakPolarHBondContact O-CD1 3.22Å; L2019-L2023 VanDerWaalsContact O-CG 3.29Å; L2019-L2023 WeakPolarHBondContact O-CG 3.27Å; L2019-L2023 PolarHBondContact O-N 3.37Å
2020E55.1Low45.8Very low59 Ų5971.1 Ų71.128%0.27636%0.363SS..Hα-helixtrans-63.1-46172.4-99.2156.9178.300110.7L2008 R2016 K2017 L2023 N2024L2008-E2020 HydrophobicContact CD2-CB 4.3Å; L2008-E2020 HydrophobicContact CD2-CG 3.81Å; R2016-E2020 IonicContact CZ-OE1 3.94Å; R2016-E2020 IonicContact NE-OE1 2.71Å; R2016-E2020 PolarHBondContact NE-OE1 3.17Å; R2016-E2020 IonicContact NE-OE2 3.47Å; R2016-E2020 IonicContact NH2-OE1 3.07Å; R2016-E2020 PolarHBondContact NH2-OE1 3.37Å; R2016-E2020 WeakPolarHBondContact O-CB 3.36Å; R2016-E2020 PolarHBondContact O-N 3.33Å; K2017-E2020 PolarHBondContact O-N 2.89Å; E2020-L2023 PolarHBondContact O-N 3.36Å; E2020-N2024 WeakPolarHBondContact O-CB 3.19Å; E2020-N2024 PolarHBondContact O-N 2.87Å; E2020-N2024 PolarHBondContact O-ND2 2.99Å
2021N54.2Low45.3Very low114 Ų11468.3 Ų68.361%0.6136%0.36SS*.Hα-helixtrans-62.8-45.8173.7-74.36000111.5K2017 L2023 N2024 Y2025K2017-N2021 PolarHBondContact O-N 3.31Å; N2021-L2023 VanDerWaalsContact C-N 3.31Å; N2021-L2023 PolarHBondContact O-N 2.77Å; N2021-N2024 PolarHBondContact O-N 3.28Å; N2021-Y2025 WeakPolarHBondContact O-CB 3.26Å; N2021-Y2025 PolarHBondContact O-N 3.19Å
2022L47.1Very low45Very low48 Ų4869.6 Ų69.625%0.25137%0.372SS..Hα-helixtrans-61.2-38.6178-158.482.2000112.1I1982 H2018 L2019 L2026I1982-L2022 HydrophobicContact CD1-CD2 3.98Å; H2018-L2022 WeakPolarHBondContact O-CB 3.35Å; H2018-L2022 PolarHBondContact O-N 2.89Å; L2019-L2022 PolarHBondContact O-N 3.46Å; L2022-L2026 HydrophobicContact CG-CD1 4.45Å; L2022-L2026 WeakPolarHBondContact O-CB 3.17Å; L2022-L2026 VanDerWaalsContact O-CG 3.25Å; L2022-L2026 WeakPolarHBondContact O-CG 3.21Å; L2022-L2026 PolarHBondContact O-N 3.47Å
2023L52.7Low44.9Very low5 Ų573 Ų733%0.02638%0.379CS..Hα-helixtrans-78.7-19.3177.5-76.2165.3000114.2I2001 T2004 K2005 L2008 L2019 E2020 N2021 S2027I2001-L2023 HydrophobicContact CB-CD2 4.42Å; I2001-L2023 HydrophobicContact CG1-CD2 4.23Å; I2001-L2023 HydrophobicContact CG2-CD2 4.23Å; T2004-L2023 HydrophobicContact CG2-CD1 3.76Å; T2004-L2023 HydrophobicContact CG2-CD2 4.1Å; T2004-L2023 HydrophobicContact CG2-CG 4.48Å; K2005-L2023 HydrophobicContact CG-CB 4.42Å; K2005-L2023 HydrophobicContact CG-CD1 4.18Å; L2008-L2023 HydrophobicContact CD1-CD1 3.64Å; L2008-L2023 HydrophobicContact CD2-CD1 3.72Å; L2008-L2023 HydrophobicContact CG-CD1 4.28Å; L2019-L2023 VanDerWaalsContact O-CB 3.26Å; L2019-L2023 WeakPolarHBondContact O-CB 3.4Å; L2019-L2023 WeakPolarHBondContact O-CD1 3.22Å; L2019-L2023 VanDerWaalsContact O-CG 3.29Å; L2019-L2023 WeakPolarHBondContact O-CG 3.27Å; L2019-L2023 PolarHBondContact O-N 3.37Å; E2020-L2023 PolarHBondContact O-N 3.36Å; N2021-L2023 VanDerWaalsContact C-N 3.31Å; N2021-L2023 PolarHBondContact O-N 2.77Å; L2023-S2027 VanDerWaalsContact O-CB 3.28Å; L2023-S2027 WeakPolarHBondContact O-CB 3.37Å; L2023-S2027 PolarHBondContact O-N 3.32Å
2024N55.2Low43.9Very low68 Ų6875.6 Ų75.636%0.36439%0.387SS..Hα-helixtrans-79.6-44.2169.8-71.9-17.1000110.2K2005 E2020 N2021 L2026 S2027 E2028K2005-N2024 WeakPolarHBondContact CE-OD1 3.48Å; K2005-N2024 PolarHBondContact NZ-OD1 3.23Å; E2020-N2024 WeakPolarHBondContact O-CB 3.19Å; E2020-N2024 PolarHBondContact O-N 2.87Å; E2020-N2024 PolarHBondContact O-ND2 2.99Å; N2021-N2024 PolarHBondContact O-N 3.28Å; N2024-L2026 PolarHBondContact O-N 2.93Å; N2024-S2027 CarbonylContact O-C 3.38Å; N2024-S2027 VanDerWaalsContact O-CA 3.32Å; N2024-S2027 WeakPolarHBondContact O-CA 3.32Å; N2024-S2027 WeakPolarHBondContact O-CB 3.25Å; N2024-S2027 PolarHBondContact O-N 3.05Å; N2024-E2028 WeakPolarHBondContact O-CG 3.45Å; N2024-E2028 PolarHBondContact O-N 2.76Å
2025Y45.5Very low43.2Very low91 Ų9177 Ų7736%0.35740%0.398SS..Hα-helixtrans-60.7-41.9173.2-170.6-101.3000112.5D1925 N2021 S2027 E2028 L2029D1925-Y2025 WeakPolarHBondContact OD1-CE2 3.4Å; D1925-Y2025 PolarHBondContact OD1-OH 3.38Å; N2021-Y2025 WeakPolarHBondContact O-CB 3.26Å; N2021-Y2025 PolarHBondContact O-N 3.19Å; Y2025-S2027 PolarHBondContact O-N 3.37Å; Y2025-E2028 PolarHBondContact O-N 3.32Å; Y2025-L2029 HydrophobicContact CD1-CD1 3.83Å; Y2025-L2029 HydrophobicContact CE1-CD1 3.62Å; Y2025-L2029 HydrophobicContact CE1-CG 4.4Å; Y2025-L2029 WeakPolarHBondContact O-CB 3.35Å; Y2025-L2029 PolarHBondContact O-N 2.96Å
2026L44.4Very low42.3Very low43 Ų4381.6 Ų81.623%0.22543%0.432CS..Hα-helixtrans-67.2-21.6170.6-72.8168.7000113.6F1986 I2001 L2022 N2024 L2029F1986-L2026 HydrophobicContact CE1-CD1 4.44Å; F1986-L2026 HydrophobicContact CZ-CD1 3.82Å; I2001-L2026 HydrophobicContact CD1-CB 4.05Å; I2001-L2026 VanDerWaalsContact CD1-O 3.24Å; I2001-L2026 WeakPolarHBondContact CD1-O 3.26Å; I2001-L2026 HydrophobicContact CG1-CB 4.49Å; L2022-L2026 HydrophobicContact CG-CD1 4.45Å; L2022-L2026 WeakPolarHBondContact O-CB 3.17Å; L2022-L2026 VanDerWaalsContact O-CG 3.25Å; L2022-L2026 WeakPolarHBondContact O-CG 3.21Å; L2022-L2026 PolarHBondContact O-N 3.47Å; N2024-L2026 PolarHBondContact O-N 2.93Å; L2026-L2029 HydrophobicContact CD2-CD1 4.46Å
2027S45.7Very low41.1Very low47 Ų4784.3 Ų84.333%0.32946%0.458SS..Hα-helixtrans-80.3-35173.1-167.30000111.6L2023 N2024 Y2025 N2030 T2031L2023-S2027 VanDerWaalsContact O-CB 3.28Å; L2023-S2027 WeakPolarHBondContact O-CB 3.37Å; L2023-S2027 PolarHBondContact O-N 3.32Å; N2024-S2027 CarbonylContact O-C 3.38Å; N2024-S2027 VanDerWaalsContact O-CA 3.32Å; N2024-S2027 WeakPolarHBondContact O-CA 3.32Å; N2024-S2027 WeakPolarHBondContact O-CB 3.25Å; N2024-S2027 PolarHBondContact O-N 3.05Å; Y2025-S2027 PolarHBondContact O-N 3.37Å; S2027-N2030 WeakPolarHBondContact O-CB 3.47Å; S2027-N2030 PolarHBondContact O-N 3.05Å; S2027-T2031 PolarHBondContact O-N 3.42Å
2028E42.9Very low40Very low121 Ų12181.5 Ų81.557%0.56546%0.457SS*.Hα-helixtrans-72.2-39.8176.9-71.3161.5160.300110.9N2024 Y2025 N2030 T2031N2024-E2028 WeakPolarHBondContact O-CG 3.45Å; N2024-E2028 PolarHBondContact O-N 2.76Å; Y2025-E2028 PolarHBondContact O-N 3.32Å; E2028-N2030 PolarHBondContact O-N 2.85Å; E2028-T2031 WeakPolarHBondContact CA-OG1 3.3Å; E2028-T2031 PolarHBondContact O-N 3.18Å; E2028-T2031 PolarHBondContact O-OG1 2.73Å
2029L37.9Very low39.1Very low59 Ų5982.4 Ų82.431%0.30947%0.466SS..Hα-helixtrans-61.8-19.4168.1-79.3167.2000113.8I1928 Y2025 L2026 S2032I1928-L2029 HydrophobicContact CD1-CD2 4.35Å; Y2025-L2029 HydrophobicContact CD1-CD1 3.83Å; Y2025-L2029 HydrophobicContact CE1-CD1 3.62Å; Y2025-L2029 HydrophobicContact CE1-CG 4.4Å; Y2025-L2029 WeakPolarHBondContact O-CB 3.35Å; Y2025-L2029 PolarHBondContact O-N 2.96Å; L2026-L2029 HydrophobicContact CD2-CD1 4.46Å; L2029-S2032 PolarHBondContact O-OG 2.59Å; L2029-S2032 VanDerWaalsContact O-OG 3.13Å
2030N38.6Very low38.2Very low39 Ų3988.3 Ų88.321%0.20950%0.498CS..Hα-helixtrans-84.7-21.4173.2-160.8117000111.9L1997 V1998 S2027 E2028 S2032L1997-N2030 HydrophobicContact CD2-CB 4.43Å; V1998-N2030 WeakPolarHBondContact CG2-ND2 3.4Å; V1998-N2030 WeakPolarHBondContact CG2-OD1 3.48Å; S2027-N2030 WeakPolarHBondContact O-CB 3.47Å; S2027-N2030 PolarHBondContact O-N 3.05Å; E2028-N2030 PolarHBondContact O-N 2.85Å; N2030-S2032 VanDerWaalsContact C-N 3.34Å
2031T34.2Very low37.1Very low106 Ų10692.3 Ų92.365%0.6552%0.521SS*.Hα-helixtrans-81.4-8.4176.338.90000114.3S2027 E2028S2027-T2031 PolarHBondContact O-N 3.42Å; E2028-T2031 WeakPolarHBondContact CA-OG1 3.3Å; E2028-T2031 PolarHBondContact O-N 3.18Å; E2028-T2031 PolarHBondContact O-OG1 2.73Å
2032S31.4Very low35.8Very low68 Ų6893 Ų9348%0.47653%0.525SS..THydrogen-bonded Turntrans-93.7-5.3171.150.90000114.4L2029 N2030L2029-S2032 PolarHBondContact O-OG 2.59Å; L2029-S2032 VanDerWaalsContact O-OG 3.13Å; N2030-S2032 VanDerWaalsContact C-N 3.34Å
2033F28.5Very low35Very low137 Ų13798.4 Ų98.460%0.60155%0.548SS*.SBendtrans-113.416.1-177-87.9-79.2000114.7F1938 P2035F1938-F2033 HydrophobicContact CZ-CE2 4.39Å; F1938-F2033 HydrophobicContact CZ-CZ 4.14Å; F2033-P2035 WeakPolarHBondContact O-CD 3.42Å
2034T27.1Very low34Very low97 Ų97105 Ų10560%0.59558%0.579SS**PPolyproline II helixtrans-93.1116.916847.70000110.7
2035P27Very low32.5Very low116 Ų116108.5 Ų108.575%0.75360%0.597SS**PPolyproline II helixtrans-56.3149.8158.2-19.432.5000109.9F2033 T2037F2033-P2035 WeakPolarHBondContact O-CD 3.42Å; P2035-T2037 PolarHBondContact O-N 2.95Å
2036S23.9Very low31.5Very low121 Ų121110 Ų11085%0.84661%0.611SS**PPolyproline II helixtrans-56.3126.2-176.450.90000112.7
2037T26.1Very low30.7Very low138 Ų138113.9 Ų113.985%0.84763%0.632SS**PPolyproline II helixtrans-73.8139.5167.348.70000111.4P2035P2035-T2037 PolarHBondContact O-N 2.95Å
2038S26.9Very low29.7Very low90 Ų90117.5 Ų117.563%0.62965%0.652SS**  trans-140.3117.8151.256.40000107.4
2039D27.3Very low28.9Very low143 Ų143119 Ų11977%0.76566%0.66SS**  trans56.5128133.8-39.9-25.7000117.6
2040D31.5Very low28.2Very low144 Ų144126.1 Ų126.177%0.7768%0.682SS**  cis-154.9153.520.6-103.8-33.5000114.7
2041D31.8Very low27.6Very low143 Ų143130 Ų13077%0.76570%0.703SS**  trans63.9164.9145.1-106.3-29.4000127.1
2042N26.6Very low27.1Very low129 Ų129131.3 Ų131.369%0.6970%0.701SS**  trans-117.8153.2-171.3-59.4-101.1000112.6
2043H30.7Very low26.8Very low161 Ų161136 Ų13675%0.74572%0.716SS**  175.8144.2112-97.9-68.1000116.8
2044H30.1Very low26.5Very low143 Ų143133.6 Ų133.666%0.66272%0.715SS**  trans33116.8147.7-68.3-39.1000125.1
2045L25.4Very low26.5Very low142 Ų142137.5 Ų137.574%0.74373%0.726SS**  59.8125.9115.5-62.5170.2000122.6
2046N24Very low26.4Very low124 Ų124136.7 Ų136.766%0.66372%0.723SS**  trans92.3133.4135.8-85.349.1000123.2
2047D27Very low26.4Very low123 Ų123135.6 Ų135.666%0.65871%0.712SS**  trans73.290.7142.7-56-29.5000123.3
2048T25.8Very low26.4Very low123 Ų123137.2 Ų137.276%0.75571%0.71SS**  72.9117.1126.455.60000123.7
2049Q25.3Very low26.2Very low154 Ų154137 Ų13772%0.7271%0.709SS**  trans76.7135.6133.6-73.9-162.79.300122.7
2050R24Very low26Very low207 Ų207137.4 Ų137.478%0.78171%0.71SS**  trans62.2145.4157.4-70.9-178.5177.5153.10.5114.4
2051D24.8Very low25.5Very low120 Ų120138 Ų13864%0.64271%0.708SS**  cis-179.81694.2-101.3-10.6000101.6
2052Q24.8Very low25.1Very low134 Ų134138 Ų13863%0.62671%0.708SS**  cis-166.3154.36.3-115.9163.140.100106.3
2053Q24.2Very low25Very low166 Ų166138.6 Ų138.678%0.77672%0.716SS**  trans55.8156.3141-62.2-178-8.700120.9
2054C23.1Very low24.7Very low88 Ų88136.5 Ų136.560%0.59572%0.718SS**  cis-166.7174.5-17.4-107.30000109.5
2055H26.8Very low24.7Very low178 Ų178135 Ų13582%0.82472%0.722SS**  trans70.5155164.9-49.4-64.9000117.2
2056S24.2Very low24.5Very low99 Ų99133.2 Ų133.269%0.69272%0.721SS**  cis-172.9176.5-29.866.50000107.6
2057T24.1Very low24.5Very low99 Ų99132.1 Ų132.161%0.60772%0.723SS**  cis-156.8166.8-1.6-14.90000108.8
2058E25.5Very low24.7Very low171 Ų171132.7 Ų132.780%0.79973%0.726SS**  trans63158.9150.3-74.4147.1-147.700120.4
2059S23.2Very low24.6Very low86 Ų86136.1 Ų136.160%0.60173%0.73SS**  cis-174142.7-30.8580000111.3
2060L22.2Very low24.7Very low151 Ų151134.9 Ų134.979%0.79173%0.727SS**  trans62160157.1-58.4162.5000116.2
2061E22Very low24.8Very low156 Ų156131.1 Ų131.173%0.72972%0.719SS**  cis-152.3154.6-3.8-139.6157.3-148.700110.9
2062D22.4Very low24.9Very low145 Ų145132.4 Ų132.478%0.77572%0.721SS**  trans66.2157.2146.6-101.15.9000126.7
2063T25.2Very low25.1Very low140 Ų140132 Ų13286%0.85972%0.721SS**  trans74.3117.2170.2620000121.1
2064C24.7Very low25.3Very low117 Ų117129.3 Ų129.379%0.79171%0.712SS**  trans-110.4154.3151.8-161.50000107.2
2065P29.5Very low25.4Very low113 Ų113130.1 Ų130.173%0.73471%0.705SS**  -149.3158.893.837.6-20.5000116.9
2066S22.8Very low25.4Very low103 Ų103126.5 Ų126.572%0.7270%0.695SS**  trans64.4111.7153.263.40000120.4
2067S23.9Very low25.5Very low101 Ų101128 Ų12871%0.70670%0.695SS**  -171.7176.310356.80000112.1
2068N29.9Very low25.8Very low136 Ų136131.5 Ų131.573%0.72770%0.698SS**  trans62.649.8155.6-60.4-7.6000120I2070N2068-I2070 PolarHBondContact O-N 3.07Å
2069K24Very low25.7Very low194 Ų194130.1 Ų130.184%0.84370%0.696SS**THydrogen-bonded Turn32.5-5.2121.4-84.5-171.3173.5-174.30124.1
2070I27.2Very low25.8Very low128 Ų128130.5 Ų130.566%0.65670%0.704SS**THydrogen-bonded Turntrans-102.1-29.4-170.2-67.2177.9000113.1N2068 H2072N2068-I2070 PolarHBondContact O-N 3.07Å; I2070-H2072 PolarHBondContact O-N 3.25Å
2071E26.8Very low26Very low129 Ų129127.6 Ų127.660%0.60370%0.696SS**Hα-helixtrans-68.5-29.7-173.7-118.4-154.1116.100114.9K2075E2071-K2075 PolarHBondContact O-N 3.26Å; E2071-K2075 WeakPolarHBondContact OE1-CE 3.44Å; E2071-K2075 IonicContact OE1-NZ 3.76Å; E2071-K2075 PolarHBondContact OE1-NZ 2.79Å; E2071-K2075 IonicContact OE2-NZ 3.61Å
2072H26.8Very low26.1Very low147 Ų147128.1 Ų128.168%0.68170%0.696SS**Hα-helixtrans-79.5-31.8-166.2-146.32.3000113.6I2070 K2075 V2076I2070-H2072 PolarHBondContact O-N 3.25Å; H2072-K2075 PolarHBondContact O-N 3.4Å; H2072-V2076 PolarHBondContact O-N 3.19Å
2073I28.8Very low26.2Very low124 Ų124128.6 Ų128.664%0.63670%0.698SS**Hα-helixtrans-70-35.1177.8-64.6175.5000110.8V2076 L2077I2073-V2076 PolarHBondContact O-N 3.22Å; I2073-L2077 PolarHBondContact O-N 3.28Å
2074L27.5Very low26.3Very low111 Ų111126.6 Ų126.658%0.58169%0.687SS**Hα-helixtrans-69.8-35.4176.8-68.4169.8000112.3V2076 L2077 Y2078L2074-V2076 VanDerWaalsContact C-N 3.28Å; L2074-V2076 PolarHBondContact O-N 3.27Å; L2074-L2077 PolarHBondContact O-N 3.31Å; L2074-Y2078 WeakPolarHBondContact O-CB 3.4Å; L2074-Y2078 PolarHBondContact O-N 3.1Å; L2074-Y2078 VanDerWaalsContact O-N 3.08Å
2075K27.1Very low26.2Very low104 Ų104129.4 Ų129.445%0.45269%0.694SS.*Hα-helixtrans-63.8-28.2174.1-80171.1-179.8161.30113.4E2071 H2072E2071-K2075 PolarHBondContact O-N 3.26Å; E2071-K2075 WeakPolarHBondContact OE1-CE 3.44Å; E2071-K2075 IonicContact OE1-NZ 3.76Å; E2071-K2075 PolarHBondContact OE1-NZ 2.79Å; E2071-K2075 IonicContact OE2-NZ 3.61Å; H2072-K2075 PolarHBondContact O-N 3.4Å
2076V26.5Very low26.1Very low102 Ų102131 Ų13162%0.61869%0.692SS**Hα-helixtrans-74.3-39.1175.2177.20000111.9H2072 I2073 L2074 Y2078 L2079H2072-V2076 PolarHBondContact O-N 3.19Å; I2073-V2076 PolarHBondContact O-N 3.22Å; L2074-V2076 VanDerWaalsContact C-N 3.28Å; L2074-V2076 PolarHBondContact O-N 3.27Å; V2076-Y2078 VanDerWaalsContact C-N 3.27Å; V2076-Y2078 PolarHBondContact O-N 3.06Å; V2076-L2079 PolarHBondContact O-N 3.27Å
2077L26.3Very low26.4Very low130 Ų130130.7 Ų130.768%0.68168%0.682SS**Hα-helixtrans-71.5-21.2174.8-69.2172.2000113.1I2073 L2074I2073-L2077 PolarHBondContact O-N 3.28Å; L2074-L2077 PolarHBondContact O-N 3.31Å
2078Y29.7Very low26.3Very low174 Ų174134.3 Ų134.368%0.68269%0.686SS**Hα-helixtrans-75.8-29.1177.3-172.2-110.5000113.5L2074 V2076 A2080 S2081L2074-Y2078 WeakPolarHBondContact O-CB 3.4Å; L2074-Y2078 PolarHBondContact O-N 3.1Å; L2074-Y2078 VanDerWaalsContact O-N 3.08Å; V2076-Y2078 VanDerWaalsContact C-N 3.27Å; V2076-Y2078 PolarHBondContact O-N 3.06Å; Y2078-A2080 PolarHBondContact O-N 2.94Å; Y2078-S2081 PolarHBondContact O-OG 3.02Å; Y2078-S2081 VanDerWaalsContact O-OG 3.13Å
2079L24.1Very low26.2Very low142 Ų142135.6 Ų135.674%0.74369%0.685SS**G310 helixtrans-81.1-7.6-176.4-77.2165.8000114.9V2076 S2081V2076-L2079 PolarHBondContact O-N 3.27Å; L2079-S2081 VanDerWaalsContact C-N 3.32Å; L2079-S2081 PolarHBondContact O-N 2.71Å
2080A25.7Very low26.4Very low94 Ų94132.7 Ų132.778%0.77768%0.679SS**G310 helixtrans-89.717.3-179.700000114.3Y2078Y2078-A2080 PolarHBondContact O-N 2.94Å
2081S25.7Very low26.3Very low90 Ų90135.3 Ų135.363%0.62969%0.688SS**G310 helixtrans-134.410.3-169.267.40000115.8Y2078 L2079Y2078-S2081 PolarHBondContact O-OG 3.02Å; Y2078-S2081 VanDerWaalsContact O-OG 3.13Å; L2079-S2081 VanDerWaalsContact C-N 3.32Å; L2079-S2081 PolarHBondContact O-N 2.71Å
2082K24.1Very low26.2Very low166 Ų166134.1 Ų134.172%0.72269%0.694SS**  trans-144.9120.5177-91.1-162.4169.7-167.80113.6
2083L24.7Very low26.3Very low156 Ų156132.7 Ų132.782%0.81770%0.701SS**  trans155.5152.3134.6-84.8162.4000108.5
2084P27.4Very low26.3Very low98 Ų98132.3 Ų132.364%0.63671%0.706SS**  cis-125.7142.8-27.735.8-21.1000113
2085D22.6Very low26.1Very low175 Ų175132.3 Ų132.394%0.93672%0.716SS**  trans-90.8106.8160.1-85-49.5000109.1
2086E26.2Very low26.2Very low146 Ų146133.4 Ų133.468%0.68274%0.736SS**  trans-102.3102.7172.8-96.2-82.3135.900110.6
2087N28.8Very low26Very low97 Ų97134.1 Ų134.152%0.51975%0.746SS.*  trans61.194.2137.9-64.2-35.1000120.1F2089N2087-F2089 PolarHBondContact O-N 3.27Å
2088F21.9Very low26.3Very low177 Ų177133 Ų13378%0.77675%0.746SS**  trans-77.1108.9151.2-136.7-65.5000109.3H2257F2088-H2257 AromaticContact CD2-CE1 3.33Å; F2088-H2257 WeakPolarHBondContact CD2-CE1 3.16Å; F2088-H2257 AromaticContact CD2-NE2 3.46Å; F2088-H2257 WeakPolarHBondContact CD2-NE2 3.32Å; F2088-H2257 AromaticContact CE2-CE1 3.38Å; F2088-H2257 WeakPolarHBondContact CE2-CE1 3.35Å; F2088-H2257 AromaticContact CE2-NE2 3.53Å
2089F28.2Very low26Very low164 Ų164130 Ų13072%0.71975%0.751SS**  trans-86.5117.8-178.6-126.4-95000112.2N2087N2087-F2089 PolarHBondContact O-N 3.27Å
2090N29.4Very low26.2Very low133 Ų133129.1 Ų129.171%0.71175%0.752SS**  trans36.2131.5152.4-59.6-10.8000121.4
2091Q23.8Very low26.2Very low182 Ų182129.4 Ų129.485%0.8575%0.754SS**  trans-99.3147.3139.1-80.8-164.2-19.600111.2
2092S25.2Very low26.3Very low105 Ų105129.1 Ų129.173%0.73476%0.757SS**  trans49108.1154.560.80000119.7
2093S29.1Very low26.4Very low117 Ų117126.4 Ų126.482%0.81876%0.759SS**  -83.4166.4125.8-59.80000109.1
2094P28.4Very low26.3Very low115 Ų115123.6 Ų123.675%0.74775%0.752SS**  -142.9148.395.238.9-25.7000116.1
2095S24.2Very low26.2Very low112 Ų112124.7 Ų124.778%0.78376%0.763SS**  trans44.4101.6146.663.60000120.9
2096S27.5Very low26.4Very low126 Ų126121.7 Ų121.788%0.88176%0.755SS**  -160.8123.2116.462.10000111.7
2097S23.9Very low26.2Very low117 Ų117122.3 Ų122.382%0.81876%0.762SS**  trans-116.3-177171.163.30000108.4
2098P30.8Very low26Very low106 Ų106122 Ų12269%0.68877%0.768SS**  cis-142-174.1844.1-25.9000117
2099S24Very low26.2Very low111 Ų111118.2 Ų118.278%0.77676%0.763SS**  trans75148.6159.679.70000117.3
2100T28.4Very low26Very low125 Ų125117.3 Ų117.377%0.76776%0.764SS**  cis-136.2153.512.548.60000113.6
2101A26.2Very low25.7Very low99 Ų99117.1 Ų117.182%0.81877%0.768SS**  trans45141.2143.400000121.8
2102A28Very low25.8Very low85 Ų85112.1 Ų112.170%0.70276%0.758SS**  cis-166.5-179.9-8.600000110.9
2103S25Very low25.9Very low108 Ų108113.1 Ų113.176%0.75576%0.76SS**  trans1.3148.4152.755.90000121.1
2104S24Very low25.7Very low97 Ų97113.9 Ų113.968%0.67876%0.76SS**  cis177.4147.2-6.248.50000111.2
2105S23.6Very low25.7Very low122 Ų122113.6 Ų113.685%0.85376%0.758SS**  trans61.4153.7165.564.20000117.3
2106S27Very low26.2Very low112 Ų112113.2 Ų113.278%0.78375%0.753SS**  cis-144.3168.514.762.10000114.7
2107L23.4Very low26Very low159 Ų159112.8 Ų112.883%0.83275%0.75SS**  trans-57.4163.9161-92.666.9000112.3
2108S25Very low26Very low90 Ų90114.9 Ų114.963%0.62975%0.751SS**  cis-169.2176.2-5.848.20000111.9
2109S24.7Very low25.8Very low98 Ų98115.6 Ų115.669%0.68576%0.756SS**  trans70.9143.4148.639.70000119.1
2110I24.1Very low26Very low144 Ų144115.7 Ų115.774%0.73875%0.751SS**  cis-158.4142.1-2.7-120.7164000111
2111T24.3Very low25.9Very low130 Ų130119 Ų11980%0.79876%0.758SS**  trans54149.9163.256.10000121.4
2112A25Very low26.1Very low77 Ų77120.5 Ų120.564%0.63674%0.744SS**  cis-167.5149.2-19.500000111.5
2113T27Very low26.4Very low125 Ų125120.4 Ų120.477%0.76773%0.731SS**  trans45.6133.4151.456.70000120.9
2114T25.4Very low26.8Very low134 Ų134120.7 Ų120.782%0.82272%0.72SS**  -149.3151.852.839.40000115.1
2115P29Very low27.4Very low109 Ų109118.8 Ų118.871%0.70870%0.703SS**  trans-113-153.6167.346.7-36.5000109.5
2116P33.8Very low28.2Very low103 Ų103118.7 Ų118.767%0.66969%0.689SS**  cis-128.7-169.2-2439.1-22.3000112.6
2117S22.9Very low28.9Very low117 Ų117116 Ų11682%0.81867%0.665SS**  trans-138.1131.1152.861.20000111.9
2118L24.3Very low29.8Very low161 Ų161110.7 Ų110.784%0.84364%0.636SS**  trans-154.5148.8174.7-94.4172.2000109.6
2119P27.7Very low30.7Very low121 Ų121111.3 Ų111.379%0.78663%0.632SS**  trans-85.8163.3179.935.5-34.6000113.1
2120V28Very low31.6Very low114 Ų114110 Ų11069%0.69161%0.614SS**  trans-129124.8-174.3173.70000111.4
2121E26.5Very low32.6Very low195 Ų195104.6 Ų104.691%0.91159%0.587SS**PPolyproline II helixtrans-85.5157.7162.3-67.1-159.412000111.5
2122Y29.9Very low33.6Very low130 Ų130102.9 Ų102.951%0.5157%0.572SS.*PPolyproline II helixtrans-100.6120.1-168.7-104.8-117.1000112.4R1988R1988-Y2122 WeakPolarHBondContact CD-OH 3.2Å; R1988-Y2122 PolarHBondContact NH1-OH 3.38Å
2123D34.1Very low34.5Very low82 Ų82104.8 Ų104.844%0.43957%0.571SS.*PPolyproline II helixtrans-76.8136.5164.2-175.232.4000111.7N2125D2123-N2125 VanDerWaalsContact CG-ND2 3.26Å; D2123-N2125 PolarHBondContact OD1-N 3.2Å; D2123-N2125 PolarHBondContact OD1-ND2 3.43Å; D2123-N2125 WeakPolarHBondContact OD2-CB 3.32Å; D2123-N2125 PolarHBondContact OD2-ND2 2.99Å
2124Q34.1Very low35.5Very low114 Ų114103.1 Ų103.153%0.53355%0.551SS.*SBendtrans-86-23.4-173.7-160163.215.200112.4Q2126 I2127Q2124-Q2126 PolarHBondContact O-N 3.2Å; Q2124-I2127 PolarHBondContact O-N 2.76Å
2125N35.6Very low36.6Very low58 Ų5897.2 Ų97.231%0.3151%0.514SS..Hα-helixtrans-65.6-33.5-175.9-51.5-56.8000113.1D2123 I2127 E2128 L2129 Q2249D2123-N2125 VanDerWaalsContact CG-ND2 3.26Å; D2123-N2125 PolarHBondContact OD1-N 3.2Å; D2123-N2125 PolarHBondContact OD1-ND2 3.43Å; D2123-N2125 WeakPolarHBondContact OD2-CB 3.32Å; D2123-N2125 PolarHBondContact OD2-ND2 2.99Å; N2125-I2127 PolarHBondContact O-N 3.29Å; N2125-E2128 PolarHBondContact O-N 3.48Å; N2125-L2129 PolarHBondContact O-N 2.99Å; N2125-L2129 VanDerWaalsContact O-N 3.14Å; N2125-Q2249 PolarHBondContact OD1-NE2 2.76Å
2126Q40.9Very low37.4Very low119 Ų11995.7 Ų95.756%0.55650%0.5SS*.Hα-helixtrans-62.3-28.4177.7-74.6-163.5-5.100112.9Q2124 H2130Q2124-Q2126 PolarHBondContact O-N 3.2Å; Q2126-H2130 WeakPolarHBondContact O-CB 3.31Å; Q2126-H2130 PolarHBondContact O-N 3.38Å; Q2126-H2130 VanDerWaalsContact O-N 3.13Å
2127I42Very low38Very low55 Ų5593.7 Ų93.728%0.28249%0.487SS..Hα-helixtrans-72.7-46.5-179.5-60.6-176.4000110.3V1984 Q2124 N2125 L2129 H2130 I2131V1984-I2127 HydrophobicContact CG1-CB 4.36Å; V1984-I2127 HydrophobicContact CG1-CD1 3.99Å; V1984-I2127 HydrophobicContact CG1-CG1 3.76Å; V1984-I2127 HydrophobicContact CG1-CG2 4.04Å; V1984-I2127 HydrophobicContact CG2-CG2 4.44Å; Q2124-I2127 PolarHBondContact O-N 2.76Å; N2125-I2127 PolarHBondContact O-N 3.29Å; I2127-L2129 PolarHBondContact O-N 3.49Å; I2127-H2130 PolarHBondContact O-N 2.93Å; I2127-I2131 HydrophobicContact CG2-CD1 3.94Å; I2127-I2131 WeakPolarHBondContact O-CG1 3.37Å; I2127-I2131 PolarHBondContact O-N 3.1Å; I2127-I2131 VanDerWaalsContact O-N 3.08Å
2128E41.9Very low39.7Very low48 Ų4888.2 Ų88.222%0.22445%0.448CS..Hα-helixtrans-59.7-46.4176.2-70.3174.4165.700110.9N2125 H2130 I2131 I2132 R2245 Q2249N2125-E2128 PolarHBondContact O-N 3.48Å; E2128-H2130 PolarHBondContact O-N 2.88Å; E2128-I2131 PolarHBondContact O-N 3.39Å; E2128-I2132 VanDerWaalsContact O-CG1 3.3Å; E2128-I2132 WeakPolarHBondContact O-CG1 3.46Å; E2128-I2132 PolarHBondContact O-N 2.94Å; E2128-R2245 IonicContact OE1-NH1 3.35Å; E2128-Q2249 PolarHBondContact OE2-NE2 2.96Å; E2128-Q2249 VanDerWaalsContact OE2-NE2 3.09Å
2129L43.4Very low41Very low104 Ų10484.2 Ų84.255%0.54543%0.427SS..Hα-helixtrans-62.2-39.5179.1-163.569000112.6N2125 I2127 L2133N2125-L2129 PolarHBondContact O-N 2.99Å; N2125-L2129 VanDerWaalsContact O-N 3.14Å; I2127-L2129 PolarHBondContact O-N 3.49Å; L2129-L2133 HydrophobicContact CG-CD1 4.11Å; L2129-L2133 WeakPolarHBondContact O-CB 3.1Å; L2129-L2133 VanDerWaalsContact O-CG 3.31Å; L2129-L2133 WeakPolarHBondContact O-CG 3.45Å; L2129-L2133 PolarHBondContact O-N 2.9Å
2130H44.5Very low42Very low69 Ų6983.3 Ų83.332%0.31941%0.408SS..Hα-helixtrans-70.4-33.7179-140.286.1000112.5V1984 Q2126 I2127 E2128 R2134V1984-H2130 HydrophobicContact CG2-CB 3.9Å; Q2126-H2130 WeakPolarHBondContact O-CB 3.31Å; Q2126-H2130 PolarHBondContact O-N 3.38Å; Q2126-H2130 VanDerWaalsContact O-N 3.13Å; I2127-H2130 PolarHBondContact O-N 2.93Å; E2128-H2130 PolarHBondContact O-N 2.88Å; H2130-R2134 PolarHBondContact NE2-NH2 3.03Å; H2130-R2134 WeakPolarHBondContact O-CB 3.48Å; H2130-R2134 WeakPolarHBondContact O-CG 3.37Å; H2130-R2134 PolarHBondContact O-N 3.35Å
2131I44.5Very low43.2Very low31 Ų3179.7 Ų79.716%0.15939%0.385CS..Hα-helixtrans-69.1-48.1174.2-67.2166.8000110.2Y1977 A1980 I2127 E2128 L2133 R2134 V2135Y1977-I2131 HydrophobicContact CD2-CG2 4.27Å; Y1977-I2131 HydrophobicContact CE2-CG2 4.02Å; A1980-I2131 HydrophobicContact CB-CG1 4.1Å; I2127-I2131 HydrophobicContact CG2-CD1 3.94Å; I2127-I2131 WeakPolarHBondContact O-CG1 3.37Å; I2127-I2131 PolarHBondContact O-N 3.1Å; I2127-I2131 VanDerWaalsContact O-N 3.08Å; E2128-I2131 PolarHBondContact O-N 3.39Å; I2131-L2133 PolarHBondContact O-N 2.96Å; I2131-R2134 PolarHBondContact O-N 3.42Å; I2131-V2135 HydrophobicContact CG2-CG2 4.23Å; I2131-V2135 WeakPolarHBondContact O-CB 3.47Å; I2131-V2135 WeakPolarHBondContact O-CG2 3.38Å; I2131-V2135 PolarHBondContact O-N 2.84Å
2132I44.7Very low44.5Very low94 Ų9470.9 Ų70.948%0.48235%0.345SS..Hα-helixtrans-55.9-52.2178.3-70.1166000110.6E2128 R2134 V2135 L2136E2128-I2132 VanDerWaalsContact O-CG1 3.3Å; E2128-I2132 WeakPolarHBondContact O-CG1 3.46Å; E2128-I2132 PolarHBondContact O-N 2.94Å; I2132-R2134 PolarHBondContact O-N 3.27Å; I2132-V2135 PolarHBondContact O-N 3.25Å; I2132-L2136 WeakPolarHBondContact O-CB 3.49Å; I2132-L2136 PolarHBondContact O-N 3.42Å
2133L43.9Very low45.4Very low117 Ų11766.5 Ų66.561%0.61333%0.333SS*.Hα-helixtrans-63.4-25.3-177.4-72170.5000114.1L2129 I2131L2129-L2133 HydrophobicContact CG-CD1 4.11Å; L2129-L2133 WeakPolarHBondContact O-CB 3.1Å; L2129-L2133 VanDerWaalsContact O-CG 3.31Å; L2129-L2133 WeakPolarHBondContact O-CG 3.45Å; L2129-L2133 PolarHBondContact O-N 2.9Å; I2131-L2133 PolarHBondContact O-N 2.96Å
2134R49.1Very low46.1Very low91 Ų9167.9 Ų67.934%0.34334%0.34SS..Hα-helixtrans-90.4-28.5179.1-65.9-72.7-172.5141.510.1113.6A1980 H2130 I2131 I2132A1980-R2134 HydrophobicContact CB-CB 4.06Å; A1980-R2134 HydrophobicContact CB-CG 4.49Å; H2130-R2134 PolarHBondContact NE2-NH2 3.03Å; H2130-R2134 WeakPolarHBondContact O-CB 3.48Å; H2130-R2134 WeakPolarHBondContact O-CG 3.37Å; H2130-R2134 PolarHBondContact O-N 3.35Å; I2131-R2134 PolarHBondContact O-N 3.42Å; I2132-R2134 PolarHBondContact O-N 3.27Å
2135V48.2Very low47.1Very low10 Ų1063 Ų636%0.06132%0.318CS..Hα-helixtrans-97-25.9-175179.70000112.7F1973 A1976 I2131 I2132 F2138 L2139F1973-V2135 HydrophobicContact CD2-CG1 4.12Å; F1973-V2135 HydrophobicContact CE2-CG1 3.5Å; F1973-V2135 HydrophobicContact CZ-CG1 4.26Å; A1976-V2135 HydrophobicContact CB-CG2 4.24Å; I2131-V2135 HydrophobicContact CG2-CG2 4.23Å; I2131-V2135 WeakPolarHBondContact O-CB 3.47Å; I2131-V2135 WeakPolarHBondContact O-CG2 3.38Å; I2131-V2135 PolarHBondContact O-N 2.84Å; I2132-V2135 PolarHBondContact O-N 3.25Å; V2135-F2138 WeakPolarHBondContact O-CB 3.22Å; V2135-F2138 PolarHBondContact O-N 2.99Å; V2135-L2139 HydrophobicContact CG1-CD1 4Å; V2135-L2139 HydrophobicContact CG1-CG 4.2Å; V2135-L2139 PolarHBondContact O-N 3.44Å; V2135-L2139 VanDerWaalsContact O-N 3.13Å
2136L44.8Very low48Very low77 Ų7761.7 Ų61.740%0.40331%0.309SS..Hα-helixtrans-60.1-38.6179.3-137.675.5000115.5I2132 F2138 L2139 R2140I2132-L2136 WeakPolarHBondContact O-CB 3.49Å; I2132-L2136 PolarHBondContact O-N 3.42Å; L2136-F2138 VanDerWaalsContact C-N 3.34Å; L2136-F2138 PolarHBondContact O-N 2.89Å; L2136-L2139 PolarHBondContact O-N 2.71Å; L2136-R2140 WeakPolarHBondContact O-CG 3.44Å; L2136-R2140 PolarHBondContact O-N 3.09Å; L2136-R2140 VanDerWaalsContact O-N 3.16Å
2137P46.1Very low48.5Very low60 Ų6058 Ų5839%0.3930%0.295SS..Hα-helixtrans-62.7-41.1177.4-23.234.9000112.3R2140 I2141P2137-R2140 PolarHBondContact O-N 2.9Å; P2137-I2141 PolarHBondContact O-N 2.92Å
2138F59.1Low48.9Very low2 Ų260.4 Ų60.41%0.00930%0.3CS..Hα-helixtrans-60.7-49.6175.1176.7-86.8000111.4P1947 L1951 L1969 T1972 F1973 V2135 L2136 R2140 I2141 A2142P1947-F2138 HydrophobicContact CB-CD2 4.36Å; L1951-F2138 HydrophobicContact CB-CE2 3.96Å; L1951-F2138 HydrophobicContact CD2-CD2 4.26Å; L1951-F2138 HydrophobicContact CD2-CE2 3.64Å; L1951-F2138 HydrophobicContact CD2-CZ 3.97Å; L1951-F2138 HydrophobicContact CG-CE2 4.33Å; L1969-F2138 HydrophobicContact CD1-CE1 4.33Å; L1969-F2138 HydrophobicContact CD1-CZ 3.91Å; L1969-F2138 HydrophobicContact CG-CZ 4.36Å; L1969-F2138 WeakPolarHBondContact O-CZ 3.32Å; T1972-F2138 VanDerWaalsContact CB-CE2 3.47Å; T1972-F2138 WeakPolarHBondContact OG1-CE2 3.26Å; T1972-F2138 WeakPolarHBondContact OG1-CZ 3.38Å; F1973-F2138 HydrophobicContact CB-CD1 4.33Å; F1973-F2138 HydrophobicContact CB-CE1 3.62Å; F1973-F2138 HydrophobicContact CB-CZ 4.07Å; F1973-F2138 AromaticContact CD2-CD1 3.88Å; F1973-F2138 HydrophobicContact CD2-CD1 3.88Å; F1973-F2138 AromaticContact CD2-CE1 3.86Å; F1973-F2138 HydrophobicContact CD2-CE1 3.86Å; F1973-F2138 HydrophobicContact CG-CE1 4.25Å; V2135-F2138 WeakPolarHBondContact O-CB 3.22Å; V2135-F2138 PolarHBondContact O-N 2.99Å; L2136-F2138 VanDerWaalsContact C-N 3.34Å; L2136-F2138 PolarHBondContact O-N 2.89Å; F2138-R2140 PolarHBondContact O-N 3.29Å; F2138-I2141 PolarHBondContact O-N 3.44Å; F2138-A2142 HydrophobicContact CE1-CB 4.38Å; F2138-A2142 WeakPolarHBondContact O-CB 3.45Å; F2138-A2142 PolarHBondContact O-N 2.84Å
2139L51.6Low49.6Very low77 Ų7759.8 Ų59.840%0.40330%0.296SS..Hα-helixtrans-60.3-29.9179.4-75.5170.9000113.5F1973 V2135 L2136 A2142 S2143F1973-L2139 HydrophobicContact CD2-CD2 4.09Å; F1973-L2139 HydrophobicContact CE2-CD1 4.37Å; F1973-L2139 HydrophobicContact CE2-CD2 3.8Å; F1973-L2139 HydrophobicContact CE2-CG 4.16Å; V2135-L2139 HydrophobicContact CG1-CD1 4Å; V2135-L2139 HydrophobicContact CG1-CG 4.2Å; V2135-L2139 PolarHBondContact O-N 3.44Å; V2135-L2139 VanDerWaalsContact O-N 3.13Å; L2136-L2139 PolarHBondContact O-N 2.71Å; L2139-A2142 WeakPolarHBondContact O-CB 3.29Å; L2139-S2143 PolarHBondContact O-N 3.29Å; L2139-S2143 PolarHBondContact O-OG 3.06Å
2140R48.3Very low49.9Very low102 Ų10257 Ų5739%0.38528%0.28SS..Hα-helixtrans-70.9-42.5176.3-73.7163.5166.6-166.9-8.5112.6L2136 P2137 F2138 S2143 L2144 L2162L2136-R2140 WeakPolarHBondContact O-CG 3.44Å; L2136-R2140 PolarHBondContact O-N 3.09Å; L2136-R2140 VanDerWaalsContact O-N 3.16Å; P2137-R2140 PolarHBondContact O-N 2.9Å; F2138-R2140 PolarHBondContact O-N 3.29Å; R2140-S2143 PolarHBondContact O-N 3.21Å; R2140-S2143 PolarHBondContact O-OG 3.47Å; R2140-L2144 WeakPolarHBondContact O-CG 3.44Å; R2140-L2144 PolarHBondContact O-N 3.22Å; R2140-L2144 VanDerWaalsContact O-N 3.11Å; R2140-L2162 HydrophobicContact CG-CD1 4.17Å
2141I53.2Low49.7Very low39 Ų3957.4 Ų57.420%0.229%0.289CS..Hα-helixtrans-66-43.3174.8-63.1165.4000109.3A1948 L1951 L1952 P2137 F2138 S2143 L2144 C2145A1948-I2141 HydrophobicContact CB-CD1 3.82Å; L1951-I2141 HydrophobicContact CD2-CB 4.35Å; L1951-I2141 HydrophobicContact CD2-CG2 3.8Å; L1951-I2141 HydrophobicContact CG-CG2 4.44Å; L1952-I2141 HydrophobicContact CD1-CD1 4.09Å; L1952-I2141 HydrophobicContact CD2-CG2 4.27Å; L1952-I2141 HydrophobicContact CG-CD1 4.38Å; L1952-I2141 HydrophobicContact CG-CG2 4.48Å; P2137-I2141 PolarHBondContact O-N 2.92Å; F2138-I2141 PolarHBondContact O-N 3.44Å; I2141-S2143 PolarHBondContact O-N 3.13Å; I2141-L2144 PolarHBondContact O-N 3.49Å; I2141-C2145 PolarHBondContact O-N 2.98Å; I2141-C2145 VanDerWaalsContact O-N 3.1Å; I2141-C2145 PolarHBondContact O-SG 2.91Å
2142A54.6Low49.6Very low10 Ų1063.5 Ų63.58%0.08332%0.322CS..Hα-helixtrans-52.2-52.2173.500000112.4L1969 F2138 L2139 L2144 C2145 W2146L1969-A2142 HydrophobicContact CD1-CB 3.55Å; L1969-A2142 HydrophobicContact CD2-CB 4.19Å; L1969-A2142 HydrophobicContact CG-CB 4.25Å; F2138-A2142 HydrophobicContact CE1-CB 4.38Å; F2138-A2142 WeakPolarHBondContact O-CB 3.45Å; F2138-A2142 PolarHBondContact O-N 2.84Å; L2139-A2142 WeakPolarHBondContact O-CB 3.29Å; A2142-L2144 PolarHBondContact O-N 3.1Å; A2142-C2145 PolarHBondContact O-N 3.43Å; A2142-W2146 PolarHBondContact O-N 3.49Å
2143S48Very low49.2Very low38 Ų3863.7 Ų63.727%0.26632%0.324SS..Hα-helixtrans-65.1-39.4-179.557.10000113.2L2139 R2140 I2141 C2145 W2146 T2147L2139-S2143 PolarHBondContact O-N 3.29Å; L2139-S2143 PolarHBondContact O-OG 3.06Å; R2140-S2143 PolarHBondContact O-N 3.21Å; R2140-S2143 PolarHBondContact O-OG 3.47Å; I2141-S2143 PolarHBondContact O-N 3.13Å; S2143-C2145 PolarHBondContact O-N 3.01Å; S2143-W2146 PolarHBondContact O-N 3.31Å; S2143-T2147 PolarHBondContact O-N 3.12Å; S2143-T2147 PolarHBondContact O-OG1 3.04Å; S2143-T2147 VanDerWaalsContact O-OG1 3.08Å
2144L49.5Very low48.6Very low111 Ų11162.3 Ų62.358%0.58132%0.32SS*.Hα-helixtrans-62.4-44.2178.7-83165.1000111.6R2140 I2141 A2142 T2147 R2148R2140-L2144 WeakPolarHBondContact O-CG 3.44Å; R2140-L2144 PolarHBondContact O-N 3.22Å; R2140-L2144 VanDerWaalsContact O-N 3.11Å; I2141-L2144 PolarHBondContact O-N 3.49Å; A2142-L2144 PolarHBondContact O-N 3.1Å; L2144-T2147 WeakPolarHBondContact CA-OG1 3.35Å; L2144-T2147 PolarHBondContact O-N 3.5Å; L2144-T2147 PolarHBondContact O-OG1 3Å; L2144-R2148 PolarHBondContact O-N 3.32Å
2145C55.1Low47.8Very low10 Ų1061.1 Ų61.17%0.06834%0.336CS..Hα-helixtrans-66.8-39.9177.9-58.70000111.6L1955 F1965 I2141 A2142 S2143 R2148 W2149L1955-C2145 HydrophobicContact CD1-CB 4.29Å; F1965-C2145 HydrophobicContact CE2-CB 3.37Å; F1965-C2145 HydrophobicContact CZ-CB 3.58Å; I2141-C2145 PolarHBondContact O-N 2.98Å; I2141-C2145 VanDerWaalsContact O-N 3.1Å; I2141-C2145 PolarHBondContact O-SG 2.91Å; A2142-C2145 PolarHBondContact O-N 3.43Å; S2143-C2145 PolarHBondContact O-N 3.01Å; C2145-R2148 WeakPolarHBondContact O-CB 3.48Å; C2145-R2148 PolarHBondContact O-N 3.19Å; C2145-R2148 VanDerWaalsContact O-N 3.16Å; C2145-W2149 PolarHBondContact O-N 3.39Å
2146W54.6Low47Very low32 Ų3265.9 Ų65.912%0.12137%0.365CS..Hα-helixtrans-60.4-48.4174.5-171.4-73.4000112.4H1966 A2142 S2143 R2148 W2149 H2150 I2215 V2217 V2220H1966-W2146 AromaticContact CE1-CH2 3.4Å; H1966-W2146 VanDerWaalsContact CE1-CH2 3.4Å; H1966-W2146 WeakPolarHBondContact CE1-CH2 3.05Å; H1966-W2146 AromaticContact CE1-CZ3 3.45Å; H1966-W2146 VanDerWaalsContact CE1-CZ3 3.45Å; H1966-W2146 WeakPolarHBondContact CE1-CZ3 3.42Å; H1966-W2146 AromaticContact NE2-CH2 3.56Å; H1966-W2146 AromaticContact NE2-CZ3 3.37Å; H1966-W2146 WeakPolarHBondContact NE2-CZ3 3.42Å; A2142-W2146 PolarHBondContact O-N 3.49Å; S2143-W2146 PolarHBondContact O-N 3.31Å; W2146-R2148 PolarHBondContact O-N 3.31Å; W2146-W2149 PolarHBondContact O-N 3.28Å; W2146-H2150 AromaticContact CD1-CD2 3.91Å; W2146-H2150 AromaticContact CE2-CD2 3.88Å; W2146-H2150 AromaticContact NE1-CD2 3.51Å; W2146-H2150 PolarHBondContact O-N 3.49Å; W2146-I2215 HydrophobicContact CH2-CG2 4.37Å; W2146-V2217 HydrophobicContact CD2-CG2 4.01Å; W2146-V2217 VanDerWaalsContact CE2-CG2 3.42Å; W2146-V2217 HydrophobicContact CG-CG2 4.44Å; W2146-V2217 HydrophobicContact CH2-CG2 4.29Å; W2146-V2217 HydrophobicContact CZ2-CG2 3.6Å; W2146-V2220 HydrophobicContact CH2-CG2 3.67Å; W2146-V2220 HydrophobicContact CZ3-CG2 3.86Å
2147T51.7Low46.4Very low41 Ų4165.6 Ų65.625%0.25237%0.367SS..Hα-helixtrans-62.1-14.9176.947.40000114S2143 L2144 V2157S2143-T2147 PolarHBondContact O-N 3.12Å; S2143-T2147 PolarHBondContact O-OG1 3.04Å; S2143-T2147 VanDerWaalsContact O-OG1 3.08Å; L2144-T2147 WeakPolarHBondContact CA-OG1 3.35Å; L2144-T2147 PolarHBondContact O-N 3.5Å; L2144-T2147 PolarHBondContact O-OG1 3Å; T2147-V2157 HydrophobicContact CG2-CB 4.2Å; T2147-V2157 HydrophobicContact CG2-CG1 4.11Å; T2147-V2157 HydrophobicContact CG2-CG2 3.76Å
2148R50.3Low45.5Very low105 Ų10571.6 Ų71.640%0.39639%0.386SS..Hα-helixtrans-86.6-24176.3-151.666.7166.8116.8-13.5113.1M1883 W1959 L2144 C2145 W2146M1883-R2148 PolarHBondContact O-NH2 3.32Å; W1959-R2148 HydrophobicContact CH2-CB 3.8Å; W1959-R2148 HydrophobicContact CH2-CG 3.93Å; W1959-R2148 HydrophobicContact CZ2-CG 4.38Å; W1959-R2148 HydrophobicContact CZ3-CB 4.3Å; L2144-R2148 PolarHBondContact O-N 3.32Å; C2145-R2148 WeakPolarHBondContact O-CB 3.48Å; C2145-R2148 PolarHBondContact O-N 3.19Å; C2145-R2148 VanDerWaalsContact O-N 3.16Å; W2146-R2148 PolarHBondContact O-N 3.31Å
2149W56.3Low44.1Very low36 Ų3677.1 Ų77.114%0.13642%0.423CS..Hα-helixtrans-85.1-34.4178.5-103.8-24.5000113.6W1959 P1960 H1961 E1962 F1965 C2145 W2146 P2151W1959-W2149 HydrophobicContact CE3-CD2 4.41Å; W1959-W2149 AromaticContact CE3-CE2 3.87Å; W1959-W2149 HydrophobicContact CE3-CG 4.45Å; W1959-W2149 HydrophobicContact CE3-CZ2 4.35Å; W1959-W2149 AromaticContact CE3-NE1 3.65Å; W1959-W2149 HydrophobicContact CH2-CB 4.34Å; W1959-W2149 AromaticContact CH2-CD1 3.33Å; W1959-W2149 AromaticContact CH2-CG 3.79Å; W1959-W2149 HydrophobicContact CH2-CG 3.79Å; W1959-W2149 AromaticContact CH2-NE1 3.8Å; W1959-W2149 AromaticContact CZ2-CD1 3.94Å; W1959-W2149 HydrophobicContact CZ3-CB 4.38Å; W1959-W2149 AromaticContact CZ3-CD1 3.4Å; W1959-W2149 AromaticContact CZ3-CD2 3.92Å; W1959-W2149 HydrophobicContact CZ3-CD2 3.92Å; W1959-W2149 AromaticContact CZ3-CE2 3.81Å; W1959-W2149 AromaticContact CZ3-CG 3.61Å; W1959-W2149 HydrophobicContact CZ3-CG 3.61Å; W1959-W2149 AromaticContact CZ3-NE1 3.51Å; P1960-W2149 VanDerWaalsContact C-CZ2 3.49Å; P1960-W2149 PolarHBondContact O-NE1 3.21Å; H1961-W2149 WeakPolarHBondContact O-CH2 3.39Å; E1962-W2149 HydrophobicContact CB-CH2 4.37Å; E1962-W2149 HydrophobicContact CB-CZ3 4.39Å; E1962-W2149 HydrophobicContact CG-CE3 4.19Å; E1962-W2149 HydrophobicContact CG-CZ3 4.04Å; E1962-W2149 VanDerWaalsContact O-CH2 3.28Å; E1962-W2149 WeakPolarHBondContact O-CH2 3.31Å; E1962-W2149 WeakPolarHBondContact O-CZ3 3.37Å; F1965-W2149 HydrophobicContact CB-CH2 3.4Å; F1965-W2149 HydrophobicContact CB-CZ2 4.26Å; F1965-W2149 HydrophobicContact CB-CZ3 3.99Å; F1965-W2149 AromaticContact CD1-CE3 3.98Å; F1965-W2149 HydrophobicContact CD1-CE3 3.98Å; F1965-W2149 AromaticContact CD1-CH2 3.53Å; F1965-W2149 HydrophobicContact CD1-CH2 3.53Å; F1965-W2149 AromaticContact CD1-CZ3 3.11Å; F1965-W2149 HydrophobicContact CD1-CZ3 3.11Å; F1965-W2149 HydrophobicContact CE1-CE3 4.13Å; F1965-W2149 HydrophobicContact CE1-CH2 4.45Å; F1965-W2149 AromaticContact CE1-CZ3 3.69Å; F1965-W2149 HydrophobicContact CE1-CZ3 3.69Å; F1965-W2149 AromaticContact CG-CH2 3.61Å; F1965-W2149 HydrophobicContact CG-CH2 3.61Å; F1965-W2149 AromaticContact CG-CZ3 3.7Å; F1965-W2149 HydrophobicContact CG-CZ3 3.7Å; C2145-W2149 PolarHBondContact O-N 3.39Å; W2146-W2149 PolarHBondContact O-N 3.28Å; W2149-P2151 WeakPolarHBondContact O-CD 3.31Å
2150H50.5Low42.9Very low45 Ų4579.9 Ų79.921%0.20844%0.437CS..  trans-113.370.5179.5-49.9-77.3000110.2E1962 W2146 D2152 N2153E1962-H2150 IonicContact OE1-CE1 3.26Å; W2146-H2150 AromaticContact CD1-CD2 3.91Å; W2146-H2150 AromaticContact CE2-CD2 3.88Å; W2146-H2150 AromaticContact NE1-CD2 3.51Å; W2146-H2150 PolarHBondContact O-N 3.49Å; H2150-D2152 PolarHBondContact O-N 3.04Å; H2150-N2153 HydrophobicContact CB-CB 4.1Å; H2150-N2153 PolarHBondContact O-N 3.43Å
2151P40.4Very low41.8Very low78 Ų7877.7 Ų77.751%0.50645%0.447SS..G310 helixtrans-61.8-24.7-174.927.5-36.2000113.2W2149 N2153 V2154W2149-P2151 WeakPolarHBondContact O-CD 3.31Å; P2151-N2153 VanDerWaalsContact C-N 3.26Å; P2151-N2153 PolarHBondContact O-N 3.48Å; P2151-V2154 WeakPolarHBondContact O-CG2 3.39Å
2152D40.7Very low40.5Very low159 Ų15979.4 Ų79.485%0.8546%0.456SS*.G310 helixtrans-75.7-15.5178.9-46.3-69.2000112.7H2150H2150-D2152 PolarHBondContact O-N 3.04Å
2153N36.7Very low39.1Very low98 Ų9881.6 Ų81.652%0.52447%0.469SS..G310 helixtrans-96.210-176.6-120.9-34000113.9H2150 P2151 G2155 T2156H2150-N2153 HydrophobicContact CB-CB 4.1Å; H2150-N2153 PolarHBondContact O-N 3.43Å; P2151-N2153 VanDerWaalsContact C-N 3.26Å; P2151-N2153 PolarHBondContact O-N 3.48Å; N2153-G2155 PolarHBondContact O-N 3.01Å; N2153-T2156 PolarHBondContact O-N 3.43Å; N2153-T2156 PolarHBondContact O-OG1 3.42Å; N2153-T2156 VanDerWaalsContact O-OG1 3.08Å
2154V32.4Very low38Very low87 Ų8788.6 Ų88.653%0.52750%0.495SS..G310 helixtrans-60.4-16.4-174.5166.10000114.1P2151 T2156P2151-V2154 WeakPolarHBondContact O-CG2 3.39Å; V2154-T2156 VanDerWaalsContact C-N 3.29Å; V2154-T2156 PolarHBondContact O-N 3.33Å
2155G32Very low36.8Very low67 Ų6789.1 Ų89.169%0.69150%0.503SS*.G310 helixtrans-62.7-27.417700000115.3N2153N2153-G2155 PolarHBondContact O-N 3.01Å
2156T32Very low35.4Very low110 Ų11092.4 Ų92.468%0.67554%0.538SS*.G310 helixtrans-93.3-2-168.455.10000115.5N2153 V2154N2153-T2156 PolarHBondContact O-N 3.43Å; N2153-T2156 PolarHBondContact O-OG1 3.42Å; N2153-T2156 VanDerWaalsContact O-OG1 3.08Å; V2154-T2156 VanDerWaalsContact C-N 3.29Å; V2154-T2156 PolarHBondContact O-N 3.33Å
2157V30.7Very low34.1Very low71 Ų7198.7 Ų98.743%0.4357%0.573SS.*  trans-107.226.2-171.7-162.80000112.9T2147T2147-V2157 HydrophobicContact CG2-CB 4.2Å; T2147-V2157 HydrophobicContact CG2-CG1 4.11Å; T2147-V2157 HydrophobicContact CG2-CG2 3.76Å
2158K27.1Very low32.9Very low185 Ų185103.2 Ų103.280%0.80460%0.595SS**THydrogen-bonded Turntrans-99.7124.9169.5-70.7179.5178.2176.50110.6
2159P30.5Very low31.8Very low118 Ų118105 Ų10577%0.76661%0.612SS**THydrogen-bonded Turncis-131.2117.2-17.534.7-15.8000113.2G2161P2159-G2161 PolarHBondContact O-N 3.21Å
2160L26.1Very low30.3Very low135 Ų135113 Ų11371%0.70765%0.648SS**  trans-73.990.5161.1-81.2172.4000109.3L2162L2160-L2162 PolarHBondContact O-N 3.16Å
2161G25.1Very low29.1Very low57 Ų57117.1 Ų117.159%0.58868%0.676SS**  trans-40.2103.6-16900000115.5P2159P2159-G2161 PolarHBondContact O-N 3.21Å
2162L26.2Very low28.4Very low74 Ų74119.2 Ų119.239%0.38769%0.688SS.*  trans-151.8144.5177.8-96.8-179.5000111.7R2140 L2160 F2164R2140-L2162 HydrophobicContact CG-CD1 4.17Å; L2160-L2162 PolarHBondContact O-N 3.16Å; L2162-F2164 VanDerWaalsContact C-N 3.32Å; L2162-F2164 PolarHBondContact O-N 3.41Å; L2162-F2164 VanDerWaalsContact O-N 3.13Å
2163P24.7Very low27.6Very low56 Ų56121 Ų12136%0.36469%0.691SS.*THydrogen-bonded Turntrans-76.79-170.2-17.331.4000118.6H2463P2163-H2463 HydrophobicContact CB-CB 4.28Å; P2163-H2463 HydrophobicContact CG-CB 4.36Å
2164F25Very low27Very low186 Ų186125.7 Ų125.782%0.81671%0.707SS**THydrogen-bonded Turntrans-119.65.1-159.4-80.4-82.5000117.7L2162L2162-F2164 VanDerWaalsContact C-N 3.32Å; L2162-F2164 PolarHBondContact O-N 3.41Å; L2162-F2164 VanDerWaalsContact O-N 3.13Å
2165V25.7Very low26.6Very low122 Ų122127.8 Ų127.874%0.73972%0.72SS**  trans-104.553.5179.6-163.60000111.7
2166G25.7Very low26.2Very low78 Ų78132 Ų13280%0.80473%0.727SS**SBendtrans-111.2-2-177.600000116.2
2167L25.9Very low25.8Very low164 Ų164132.4 Ų132.486%0.85973%0.734SS**SBendtrans-130.310.8-160.2-123.7152.2000115.3
2168L27.1Very low25.5Very low136 Ų136137.5 Ų137.571%0.71275%0.753SS**SBendtrans-105.110.1-173.9-78.2171000115.5
2169N27.7Very low25.3Very low143 Ų143135.7 Ų135.777%0.76575%0.752SS**SBendtrans-130.344.9-173.8-159.528000114.6
2170K24.8Very low25Very low204 Ų204138.1 Ų138.189%0.88775%0.753SS**SBendtrans-138.631.9176.3-85.4-165174179.50114.8
2171T23.8Very low24.8Very low131 Ų131139.7 Ų139.780%0.80476%0.762SS**SBendtrans-143.625.7-178.628.60000115.8
2172T25.9Very low24.6Very low122 Ų122141.2 Ų141.275%0.74876%0.763SS**SBendtrans-142.558.7-179.818.80000114.8
2173Q25Very low24.5Very low197 Ų197143.1 Ų143.192%0.92178%0.778SS**  trans-163125.7147.8-110.6160.820.500109.9
2174K24.6Very low24.3Very low196 Ų196147.3 Ų147.385%0.85279%0.79SS**  trans-87.3143.4167.8-88.4-171.8171.9-175.20109.2
2175T23.4Very low24.2Very low131 Ų131144.5 Ų144.580%0.80478%0.78SS**  trans-60.7137.9179.649.60000113
2176N23.5Very low24.1Very low156 Ų156148.7 Ų148.783%0.83479%0.789SS**  trans-162.1163.2134.8-109.2-10.7000111.8
2177S24.2Very low24Very low118 Ų118151.5 Ų151.583%0.82579%0.79SS**  trans69.8144.1-175.367.10000116.9
2178H22.9Very low23.8Very low178 Ų178148.7 Ų148.782%0.82478%0.784SS**  trans-80.1151.2-179.2-68-130.7000110.2
2179D24.4Very low23.6Very low148 Ų148149 Ų14979%0.79178%0.784SS**  -164.9179.896.2-122.1-36.5000114.2
2180Q22.6Very low23.4Very low168 Ų168145.7 Ų145.779%0.78577%0.77SS**  trans-76.9137.3-175.1-52.9170.213.100113
2181L23.2Very low23.3Very low169 Ų169141.6 Ų141.689%0.88576%0.764SS**  -165.6175.2117.9-130.774.7000112.3
2182S21.4Very low23.3Very low88 Ų88143 Ų14362%0.61576%0.761SS**  trans-132.9174.1-178.259.40000111.6
2183T22.2Very low23.3Very low115 Ų115144.9 Ų144.971%0.70676%0.762SS**  trans74.314017071.70000118.7
2184K21.6Very low23.2Very low143 Ų143143.3 Ų143.362%0.62276%0.755SS**  trans61.3155.3147.2-70.8169155.2-930117.8
2185E21.8Very low23.1Very low128 Ų128141.5 Ų141.560%0.59875%0.753SS**  cis-151.5165.7-17.7-127.4150.3-154.100108.1
2186F23.8Very low23.2Very low210 Ų210142.4 Ų142.492%0.92175%0.751SS**  trans-137.850.8171.7-125-68.6000112.9
2187V23.7Very low23.1Very low136 Ų136140.9 Ų140.982%0.82474%0.74SS**  trans-131.983170.6-174.90000110.7
2188S21.3Very low23.5Very low105 Ų105140.4 Ų140.473%0.73472%0.723SS**  trans-173.3110.9149.356.60000110.7
2189I24.5Very low23.7Very low142 Ų142134 Ų13473%0.72870%0.698SS**  trans-109.5113.3153-63.8179.3000105.1
2190T22.6Very low23.8Very low75 Ų75130.1 Ų130.146%0.4668%0.677SS.*  trans-72.8166178.553.70000110.8E2192T2190-E2192 WeakPolarHBondContact CB-OE2 3.27Å; T2190-E2192 PolarHBondContact O-N 3.29Å; T2190-E2192 PolarHBondContact OG1-OE2 3.17Å
2191P22.3Very low24Very low117 Ų117126.9 Ų126.976%0.7666%0.664SS**THydrogen-bonded Turntrans-64.75.7-176.1-23.736.1000116.5Q2193P2191-Q2193 PolarHBondContact O-N 3.46Å
2192E25Very low24.2Very low161 Ų161122 Ų12275%0.75264%0.644SS**THydrogen-bonded Turntrans-94.813.8-166.5-64.2156.813000113.6T2190T2190-E2192 WeakPolarHBondContact CB-OE2 3.27Å; T2190-E2192 PolarHBondContact O-N 3.29Å; T2190-E2192 PolarHBondContact OG1-OE2 3.17Å
2193Q25.7Very low24.5Very low161 Ų161126.3 Ų126.375%0.75265%0.646SS**  trans-116.835.5174.7-65.1-169-8.800112.8P2191P2191-Q2193 PolarHBondContact O-N 3.46Å
2194Q22.2Very low24.8Very low165 Ų165127.5 Ų127.577%0.77165%0.647SS**  trans-75.2130.4164-67.6-168.1-8.500110.4
2195L22.9Very low25Very low157 Ų157126.1 Ų126.182%0.82265%0.646SS**  trans36.494.1158.3-70.5161.2000116.5E2197L2195-E2197 PolarHBondContact O-N 3.14Å
2196I24.4Very low25.2Very low150 Ų150124.8 Ų124.877%0.76965%0.651SS**  trans-61111.1151.4-63.4175.5000106.6
2197E23.2Very low25.2Very low125 Ų125122.9 Ų122.958%0.58465%0.649SS**  trans-64.4148.6177-71.7-160.4151.800111.1L2195 S2199 D2200L2195-E2197 PolarHBondContact O-N 3.14Å; E2197-S2199 WeakPolarHBondContact CB-OG 3.23Å; E2197-S2199 PolarHBondContact O-N 3.33Å; E2197-S2199 VanDerWaalsContact O-N 3.12Å; E2197-S2199 PolarHBondContact OE2-OG 2.89Å; E2197-D2200 PolarHBondContact O-N 3.49Å
2198F30.7Very low25.2Very low108 Ų108123.6 Ų123.647%0.47465%0.648SS.*Hα-helixtrans-60.8-21.6172.4-156.6-79.6000112.1L2201 C2202 I2243F2198-L2201 PolarHBondContact O-N 3.28Å; F2198-C2202 PolarHBondContact O-N 3.32Å; F2198-I2243 HydrophobicContact CD1-CD1 4.03Å; F2198-I2243 HydrophobicContact CE1-CD1 3.45Å; F2198-I2243 VanDerWaalsContact CE1-CD1 3.45Å; F2198-I2243 HydrophobicContact CE1-CG1 4.1Å; F2198-I2243 HydrophobicContact CZ-CD1 4.21Å; F2198-I2243 HydrophobicContact CZ-CG1 4.46Å
2199S27.4Very low25.3Very low42 Ų42124.5 Ų124.529%0.29465%0.653SS.*Hα-helixtrans-61.8-38.6175.9600000113E2197 C2202 R2203E2197-S2199 WeakPolarHBondContact CB-OG 3.23Å; E2197-S2199 PolarHBondContact O-N 3.33Å; E2197-S2199 VanDerWaalsContact O-N 3.12Å; E2197-S2199 PolarHBondContact OE2-OG 2.89Å; S2199-C2202 WeakPolarHBondContact O-CB 3.4Å; S2199-C2202 PolarHBondContact O-N 3.15Å; S2199-R2203 PolarHBondContact O-N 2.95Å; S2199-R2203 VanDerWaalsContact O-N 3.09Å
2200D27.3Very low25.2Very low67 Ų67121.6 Ų121.636%0.35866%0.659SS.*Hα-helixtrans-80-28.4-178.5-70.7-28.3000112.4E2197 C2202 R2203 I2204E2197-D2200 PolarHBondContact O-N 3.49Å; D2200-C2202 PolarHBondContact O-N 2.97Å; D2200-R2203 PolarHBondContact O-N 3.5Å; D2200-R2203 VanDerWaalsContact O-N 3.12Å; D2200-R2203 IonicContact OD1-NH1 2.67Å; D2200-R2203 PolarHBondContact OD1-NH1 3.04Å; D2200-R2203 VanDerWaalsContact OD1-NH1 3.16Å; D2200-I2204 WeakPolarHBondContact O-CG1 3.47Å; D2200-I2204 PolarHBondContact O-N 2.89Å
2201L27.6Very low25.2Very low100 Ų100125.8 Ų125.852%0.52468%0.678SS.*Hα-helixtrans-61.2-31.2167.3-155.480.1000111.6F2198F2198-L2201 PolarHBondContact O-N 3.28Å
2202C27.2Very low25.2Very low66 Ų66125.1 Ų125.145%0.44668%0.676SS.*Hα-helixtrans-80-26.9173.3-68.10000113.7F2198 S2199 D2200F2198-C2202 PolarHBondContact O-N 3.32Å; S2199-C2202 WeakPolarHBondContact O-CB 3.4Å; S2199-C2202 PolarHBondContact O-N 3.15Å; D2200-C2202 PolarHBondContact O-N 2.97Å
2203R27.2Very low25.2Very low179 Ų179123.4 Ų123.468%0.67568%0.677SS**Hα-helixtrans-77.2-38.4177.2-77.8178.9171.5140.3-4.1113.6S2199 D2200 L2205S2199-R2203 PolarHBondContact O-N 2.95Å; S2199-R2203 VanDerWaalsContact O-N 3.09Å; D2200-R2203 PolarHBondContact O-N 3.5Å; D2200-R2203 VanDerWaalsContact O-N 3.12Å; D2200-R2203 IonicContact OD1-NH1 2.67Å; D2200-R2203 PolarHBondContact OD1-NH1 3.04Å; D2200-R2203 VanDerWaalsContact OD1-NH1 3.16Å; R2203-L2205 PolarHBondContact O-N 2.87Å
2204I29.2Very low25.2Very low141 Ų141121.2 Ų121.272%0.72367%0.674SS**THydrogen-bonded Turntrans-70.6-18-176.6-67.9168.1000112.4D2200D2200-I2204 WeakPolarHBondContact O-CG1 3.47Å; D2200-I2204 PolarHBondContact O-N 2.89Å
2205L25.4Very low25.6Very low114 Ų114117 Ų11760%0.59766%0.656SS**THydrogen-bonded Turntrans-103.415.5-174.8-65.9176.9000115R2203R2203-L2205 PolarHBondContact O-N 2.87Å
2206S24.7Very low26.1Very low100 Ų100114.1 Ų114.170%0.69964%0.642SS**SBendtrans-112.9125.3165.5-70.90000110.7
2207L25.6Very low26.5Very low170 Ų170110.9 Ų110.989%0.8963%0.629SS**  trans-65151.4-172.8-68.7150.1000113.3
2208D22.5Very low26.9Very low150 Ų150107.7 Ų107.780%0.80262%0.624SS**  trans-133133.2139-134.9-19.9000110.2
2209C23.2Very low27.1Very low124 Ų124107.2 Ų107.284%0.83862%0.623SS**SBendtrans28.9121.6174.3-57.10000122.5
2210G22.3Very low27.5Very low82 Ų82106.8 Ų106.885%0.84562%0.619SS**  trans157.3116.7153.500000116.8
2211D22.5Very low27.9Very low162 Ų162106 Ų10687%0.86663%0.626SS**  trans-51.5159.8-171.2-81.7-58.7000121
2212S23.9Very low28.4Very low103 Ų103105.5 Ų105.572%0.7262%0.621SS**  trans81110.7154.868.70000121.5
2213T24.8Very low28.8Very low125 Ų125107.1 Ų107.177%0.76763%0.625SS**  trans4699.7146.550.80000119.3
2214V25.8Very low29.2Very low115 Ų11599.6 Ų99.670%0.69760%0.601SS**  107.6129.981.8149.60000110.2
2215I29.4Very low29.6Very low77 Ų7794.3 Ų94.340%0.39558%0.581SS.*  cis-133.3142.4-19.2-96.1162.6000107.3W2146 V2220W2146-I2215 HydrophobicContact CH2-CG2 4.37Å; I2215-V2220 HydrophobicContact CG2-CG2 3.84Å
2216N32.8Very low30.1Very low97 Ų9797.1 Ų97.152%0.51958%0.584SS.*  trans-93.9144.9-177.1-159.9-22.6000112.1A2218 Q2219 V2220N2216-A2218 PolarHBondContact O-N 2.93Å; N2216-Q2219 WeakPolarHBondContact O-CA 3.43Å; N2216-Q2219 WeakPolarHBondContact O-CB 3.24Å; N2216-Q2219 PolarHBondContact O-N 3.22Å; N2216-V2220 PolarHBondContact O-N 2.88Å
2217V33.6Very low30.4Very low81 Ų8198.4 Ų98.449%0.49158%0.582SS.*Hα-helixtrans-58.9-35.3-177.6177.50000111.9W2146 Q2219 V2220 G2221W2146-V2217 HydrophobicContact CD2-CG2 4.01Å; W2146-V2217 VanDerWaalsContact CE2-CG2 3.42Å; W2146-V2217 HydrophobicContact CG-CG2 4.44Å; W2146-V2217 HydrophobicContact CH2-CG2 4.29Å; W2146-V2217 HydrophobicContact CZ2-CG2 3.6Å; V2217-Q2219 VanDerWaalsContact C-N 3.29Å; V2217-Q2219 PolarHBondContact O-N 3.43Å; V2217-V2220 PolarHBondContact O-N 3.42Å; V2217-V2220 VanDerWaalsContact O-N 3.1Å; V2217-G2221 PolarHBondContact O-N 3.28Å; V2217-G2221 VanDerWaalsContact O-N 3.16Å
2218A32.1Very low30.7Very low59 Ų5991.5 Ų91.549%0.48855%0.548SS..Hα-helixtrans-58.7-39.2173.500000112.4N2216 V2220 G2221 E2222N2216-A2218 PolarHBondContact O-N 2.93Å; A2218-V2220 VanDerWaalsContact C-N 3.34Å; A2218-G2221 PolarHBondContact O-N 3.45Å; A2218-E2222 PolarHBondContact O-N 3.09Å
2219Q34.3Very low31Very low98 Ų9885.3 Ų85.346%0.45852%0.52SS..Hα-helixtrans-72.4-25.1176.5-70177.3-29.900112.5N2216 V2217 E2222 L2223N2216-Q2219 WeakPolarHBondContact O-CA 3.43Å; N2216-Q2219 WeakPolarHBondContact O-CB 3.24Å; N2216-Q2219 PolarHBondContact O-N 3.22Å; V2217-Q2219 VanDerWaalsContact C-N 3.29Å; V2217-Q2219 PolarHBondContact O-N 3.43Å; Q2219-E2222 PolarHBondContact O-N 2.89Å; Q2219-L2223 WeakPolarHBondContact O-CB 2.62Å; Q2219-L2223 PolarHBondContact O-N 3.25Å
2220V36.6Very low31.5Very low33 Ų3383 Ų8320%0.250%0.499CS..Hα-helixtrans-69-38.2170.4-178.90000110.5W2146 I2215 N2216 V2217 A2218 A2224W2146-V2220 HydrophobicContact CH2-CG2 3.67Å; W2146-V2220 HydrophobicContact CZ3-CG2 3.86Å; I2215-V2220 HydrophobicContact CG2-CG2 3.84Å; N2216-V2220 PolarHBondContact O-N 2.88Å; V2217-V2220 PolarHBondContact O-N 3.42Å; V2217-V2220 VanDerWaalsContact O-N 3.1Å; A2218-V2220 VanDerWaalsContact C-N 3.34Å; V2220-A2224 VanDerWaalsContact O-CB 3.23Å; V2220-A2224 WeakPolarHBondContact O-CB 2.86Å; V2220-A2224 PolarHBondContact O-N 3.46Å
2221G36.3Very low31.8Very low49 Ų4983 Ų8351%0.50549%0.485SS..Hα-helixtrans-64.5-44170.600000113.2V2217 A2218 A2224 G2225V2217-G2221 PolarHBondContact O-N 3.28Å; V2217-G2221 VanDerWaalsContact O-N 3.16Å; A2218-G2221 PolarHBondContact O-N 3.45Å; G2221-A2224 PolarHBondContact O-N 2.92Å; G2221-G2225 PolarHBondContact O-N 3.35Å
2222E36.5Very low32.1Very low90 Ų9079.5 Ų79.542%0.42147%0.473SS..Hα-helixtrans-68.1-41.4178.3-163.8-169.8-174.200112.4A2218 Q2219 G2225 R2226A2218-E2222 PolarHBondContact O-N 3.09Å; Q2219-E2222 PolarHBondContact O-N 2.89Å; E2222-G2225 PolarHBondContact O-N 2.92Å; E2222-R2226 WeakPolarHBondContact O-CG 3.47Å; E2222-R2226 PolarHBondContact O-N 3.4Å; E2222-R2226 IonicContact OE1-CZ 3.22Å; E2222-R2226 IonicContact OE1-NH1 3.03Å; E2222-R2226 PolarHBondContact OE1-NH1 3.04Å; E2222-R2226 IonicContact OE1-NH2 2.62Å; E2222-R2226 PolarHBondContact OE1-NH2 2.97Å; E2222-R2226 IonicContact OE2-NH1 2.67Å; E2222-R2226 PolarHBondContact OE2-NH1 3.13Å
2223L37.2Very low32.4Very low101 Ų10180.5 Ų80.553%0.52948%0.477SS..Hα-helixtrans-67.8-39.3176-172.169.8000111.1Q2219 R2226 L2227Q2219-L2223 WeakPolarHBondContact O-CB 2.62Å; Q2219-L2223 PolarHBondContact O-N 3.25Å; L2223-R2226 PolarHBondContact O-N 3.31Å; L2223-L2227 HydrophobicContact CD1-CD1 4.23Å; L2223-L2227 HydrophobicContact CD1-CG 4.32Å; L2223-L2227 HydrophobicContact CD2-CD1 4.37Å; L2223-L2227 HydrophobicContact CG-CD1 3.84Å; L2223-L2227 HydrophobicContact CG-CG 4.29Å; L2223-L2227 VanDerWaalsContact O-CB 3.29Å; L2223-L2227 WeakPolarHBondContact O-CB 3.48Å; L2223-L2227 VanDerWaalsContact O-CG 3.24Å; L2223-L2227 WeakPolarHBondContact O-CG 3.28Å; L2223-L2227 PolarHBondContact O-N 3.25Å
2224A35.4Very low32.8Very low20 Ų2081.7 Ų81.717%0.16548%0.479CS..Hα-helixtrans-59.4-48.816900000110.7V2220 G2221 R2226 L2227 C2228V2220-A2224 VanDerWaalsContact O-CB 3.23Å; V2220-A2224 WeakPolarHBondContact O-CB 2.86Å; V2220-A2224 PolarHBondContact O-N 3.46Å; G2221-A2224 PolarHBondContact O-N 2.92Å; A2224-R2226 VanDerWaalsContact C-N 3.33Å; A2224-R2226 PolarHBondContact O-N 2.89Å; A2224-L2227 PolarHBondContact O-N 3.17Å; A2224-C2228 VanDerWaalsContact O-CB 3.26Å; A2224-C2228 WeakPolarHBondContact O-CB 3.11Å; A2224-C2228 PolarHBondContact O-N 3.15Å; A2224-C2228 PolarHBondContact O-SG 3.47Å
2225G35.9Very low33Very low31 Ų3181.9 Ų81.932%0.3248%0.476SS..Hα-helixtrans-55.4-43.7176.500000113.7G2221 E2222 G2229G2221-G2225 PolarHBondContact O-N 3.35Å; E2222-G2225 PolarHBondContact O-N 2.92Å; G2225-G2229 PolarHBondContact O-N 3.01Å
2226R36.1Very low33.2Very low172 Ų17285.2 Ų85.265%0.64950%0.495SS*.Hα-helixtrans-69.3-44.4176.4-74.3-176.8174.6123.912.2112.8E2222 L2223 A2224 G2229E2222-R2226 WeakPolarHBondContact O-CG 3.47Å; E2222-R2226 PolarHBondContact O-N 3.4Å; E2222-R2226 IonicContact OE1-CZ 3.22Å; E2222-R2226 IonicContact OE1-NH1 3.03Å; E2222-R2226 PolarHBondContact OE1-NH1 3.04Å; E2222-R2226 IonicContact OE1-NH2 2.62Å; E2222-R2226 PolarHBondContact OE1-NH2 2.97Å; E2222-R2226 IonicContact OE2-NH1 2.67Å; E2222-R2226 PolarHBondContact OE2-NH1 3.13Å; L2223-R2226 PolarHBondContact O-N 3.31Å; A2224-R2226 VanDerWaalsContact C-N 3.33Å; A2224-R2226 PolarHBondContact O-N 2.89Å; R2226-G2229 PolarHBondContact O-N 3.45Å
2227L30.7Very low33.5Very low127 Ų12784.5 Ų84.567%0.66549%0.491SS*.Hα-helixtrans-72.5-27.7179.9-68.1175.6000113.2L2223 A2224 G2229L2223-L2227 HydrophobicContact CD1-CD1 4.23Å; L2223-L2227 HydrophobicContact CD1-CG 4.32Å; L2223-L2227 HydrophobicContact CD2-CD1 4.37Å; L2223-L2227 HydrophobicContact CG-CD1 3.84Å; L2223-L2227 HydrophobicContact CG-CG 4.29Å; L2223-L2227 VanDerWaalsContact O-CB 3.29Å; L2223-L2227 WeakPolarHBondContact O-CB 3.48Å; L2223-L2227 VanDerWaalsContact O-CG 3.24Å; L2223-L2227 WeakPolarHBondContact O-CG 3.28Å; L2223-L2227 PolarHBondContact O-N 3.25Å; A2224-L2227 PolarHBondContact O-N 3.17Å; L2227-G2229 VanDerWaalsContact C-N 3.3Å; L2227-G2229 PolarHBondContact O-N 3.37Å
2228C31.9Very low33.4Very low26 Ų2683.3 Ų83.318%0.17649%0.489CS..Hα-helixtrans-73.4-18.1173.2-69.40000113.6A2224 L2230A2224-C2228 VanDerWaalsContact O-CB 3.26Å; A2224-C2228 WeakPolarHBondContact O-CB 3.11Å; A2224-C2228 PolarHBondContact O-N 3.15Å; A2224-C2228 PolarHBondContact O-SG 3.47Å; C2228-L2230 VanDerWaalsContact C-N 3.35Å; C2228-L2230 HydrophobicContact CB-CD1 3.91Å; C2228-L2230 HydrophobicContact CB-CG 3.98Å
2229G29.2Very low33.6Very low20 Ų2086.1 Ų86.121%0.20650%0.495CS..THydrogen-bonded Turntrans72.423.9-178.300000114.7S2012 G2225 R2226 L2227 C2231S2012-G2229 PolarHBondContact OG-O 3.02Å; G2225-G2229 PolarHBondContact O-N 3.01Å; R2226-G2229 PolarHBondContact O-N 3.45Å; L2227-G2229 VanDerWaalsContact C-N 3.3Å; L2227-G2229 PolarHBondContact O-N 3.37Å; G2229-C2231 VanDerWaalsContact C-N 3.31Å; G2229-C2231 PolarHBondContact O-N 2.75Å
2230L34.5Very low33.7Very low75 Ų7587.5 Ų87.539%0.39350%0.501SS..  trans-82.3-1.7-176-73.2170.7000114.2Y1977 L2015 C2228Y1977-L2230 HydrophobicContact CE1-CD1 4.4Å; L2015-L2230 HydrophobicContact CD2-CD2 4.06Å; C2228-L2230 VanDerWaalsContact C-N 3.35Å; C2228-L2230 HydrophobicContact CB-CD1 3.91Å; C2228-L2230 HydrophobicContact CB-CG 3.98Å
2231C28.8Very low33.8Very low81 Ų8189.5 Ų89.555%0.54752%0.516SS..SBendtrans-140.2150.4174.8-79.60000111.6G2229G2229-C2231 VanDerWaalsContact C-N 3.31Å; G2229-C2231 PolarHBondContact O-N 2.75Å
2232S28.7Very low33.7Very low89 Ų8992.4 Ų92.462%0.62252%0.519SS*.  trans-81.6152.1167.8-175.90000109.8N2234S2232-N2234 PolarHBondContact O-N 2.9Å
2233P29.4Very low33.7Very low125 Ų12590 Ų9081%0.81251%0.509SS*.THydrogen-bonded Turntrans-60.5-12.7-170.8-27.436.5000117.6
2234N32.8Very low33.7Very low149 Ų14987.5 Ų87.580%0.79751%0.507SS*.THydrogen-bonded Turntrans-120.931.6-165.2-63.76.6000114.3S2232S2232-N2234 PolarHBondContact O-N 2.9Å
2235N31.2Very low33.7Very low119 Ų11992 Ų9264%0.63652%0.52SS*.  trans-148.5121.4179.9-151.7-9.9000113.3
2236N32.7Very low33.5Very low148 Ų14897.9 Ų97.979%0.79153%0.533SS*.  trans-96.5-15-164.7-68.3-5.8000114.4A2238N2236-A2238 VanDerWaalsContact C-N 3.32Å; N2236-A2238 PolarHBondContact O-N 2.82Å; N2236-A2238 VanDerWaalsContact O-N 3.14Å
2237N39Very low33.5Very low81 Ų8193.9 Ų93.943%0.43352%0.523SS..THydrogen-bonded Turntrans-92.327-157.1-55.850.8000114.2I2239 E2240 C2241N2237-I2239 VanDerWaalsContact C-N 3.32Å; N2237-I2239 PolarHBondContact O-N 2.93Å; N2237-E2240 HydrophobicContact CB-CB 4.3Å; N2237-E2240 PolarHBondContact ND2-OE2 3.17Å; N2237-E2240 PolarHBondContact O-N 3.38Å; N2237-C2241 WeakPolarHBondContact O-CB 3.05Å; N2237-C2241 PolarHBondContact O-N 3.43Å
2238A32.7Very low33.7Very low56 Ų5689.4 Ų89.446%0.46351%0.507SS..Hα-helixtrans-61.9-38.5-179.400000112.7N2236 L2242N2236-A2238 VanDerWaalsContact C-N 3.32Å; N2236-A2238 PolarHBondContact O-N 2.82Å; N2236-A2238 VanDerWaalsContact O-N 3.14Å; A2238-L2242 PolarHBondContact O-N 3.26Å
2239I36.3Very low33.7Very low119 Ų11991 Ų9161%0.6151%0.512SS*.Hα-helixtrans-77.2-42.1178.4-71.1173.6000111.3N2237 C2241 L2242 I2243N2237-I2239 VanDerWaalsContact C-N 3.32Å; N2237-I2239 PolarHBondContact O-N 2.93Å; I2239-C2241 VanDerWaalsContact C-N 3.31Å; I2239-C2241 PolarHBondContact O-N 2.77Å; I2239-L2242 WeakPolarHBondContact O-CB 3.35Å; I2239-L2242 PolarHBondContact O-N 3.29Å; I2239-I2243 HydrophobicContact CG2-CD1 3.57Å; I2239-I2243 HydrophobicContact CG2-CG1 4.31Å; I2239-I2243 WeakPolarHBondContact O-CG1 3.45Å; I2239-I2243 PolarHBondContact O-N 3.19Å
2240E36.4Very low33.8Very low126 Ų12694.9 Ų94.959%0.58953%0.528SS*.Hα-helixtrans-59.9-38.2173.9-76.8-166.214600112.9N2237 L2242 I2243 G2244N2237-E2240 HydrophobicContact CB-CB 4.3Å; N2237-E2240 PolarHBondContact ND2-OE2 3.17Å; N2237-E2240 PolarHBondContact O-N 3.38Å; E2240-L2242 VanDerWaalsContact C-N 3.3Å; E2240-L2242 PolarHBondContact O-N 2.82Å; E2240-I2243 PolarHBondContact O-N 2.92Å; E2240-G2244 PolarHBondContact O-N 2.95Å
2241C37.5Very low33.6Very low76 Ų7697 Ų9751%0.51453%0.533SS..Hα-helixtrans-65.1-35.6177.9-169.20000111.9N2237 I2239 R2245N2237-C2241 WeakPolarHBondContact O-CB 3.05Å; N2237-C2241 PolarHBondContact O-N 3.43Å; I2239-C2241 VanDerWaalsContact C-N 3.31Å; I2239-C2241 PolarHBondContact O-N 2.77Å; C2241-R2245 WeakPolarHBondContact O-CB 3.43Å; C2241-R2245 WeakPolarHBondContact O-CD 3.41Å; C2241-R2245 VanDerWaalsContact O-CG 3.22Å; C2241-R2245 WeakPolarHBondContact O-CG 3.5Å; C2241-R2245 PolarHBondContact O-N 3.42Å; C2241-R2245 VanDerWaalsContact O-N 3.15Å
2242L34.7Very low33.6Very low109 Ų10999.1 Ų99.157%0.57153%0.534SS*.Hα-helixtrans-68.6-48.2172-95.2158.4000111.8A2238 I2239 E2240 G2244 R2245 W2246A2238-L2242 PolarHBondContact O-N 3.26Å; I2239-L2242 WeakPolarHBondContact O-CB 3.35Å; I2239-L2242 PolarHBondContact O-N 3.29Å; E2240-L2242 VanDerWaalsContact C-N 3.3Å; E2240-L2242 PolarHBondContact O-N 2.82Å; L2242-G2244 PolarHBondContact O-N 3.08Å; L2242-R2245 PolarHBondContact O-N 3.37Å; L2242-W2246 WeakPolarHBondContact O-CB 3.49Å; L2242-W2246 PolarHBondContact O-N 2.97Å
2243I36.8Very low33.6Very low41 Ų41101.1 Ų101.121%0.2154%0.541CS..Hα-helixtrans-62.9-43.9178.8-64.5162.8000111.2F2198 I2239 E2240 R2245 W2246 I2247F2198-I2243 HydrophobicContact CD1-CD1 4.03Å; F2198-I2243 HydrophobicContact CE1-CD1 3.45Å; F2198-I2243 VanDerWaalsContact CE1-CD1 3.45Å; F2198-I2243 HydrophobicContact CE1-CG1 4.1Å; F2198-I2243 HydrophobicContact CZ-CD1 4.21Å; F2198-I2243 HydrophobicContact CZ-CG1 4.46Å; I2239-I2243 HydrophobicContact CG2-CD1 3.57Å; I2239-I2243 HydrophobicContact CG2-CG1 4.31Å; I2239-I2243 WeakPolarHBondContact O-CG1 3.45Å; I2239-I2243 PolarHBondContact O-N 3.19Å; E2240-I2243 PolarHBondContact O-N 2.92Å; I2243-R2245 VanDerWaalsContact C-N 3.29Å; I2243-R2245 PolarHBondContact O-N 3.12Å; I2243-W2246 WeakPolarHBondContact O-CB 3.5Å; I2243-W2246 PolarHBondContact O-N 3.01Å; I2243-W2246 VanDerWaalsContact O-N 3.13Å; I2243-I2247 HydrophobicContact CG2-CD1 3.84Å; I2243-I2247 HydrophobicContact CG2-CG1 4.45Å; I2243-I2247 WeakPolarHBondContact O-CG1 3.28Å; I2243-I2247 PolarHBondContact O-N 3.47Å
2244G37.3Very low33.5Very low47 Ų47100 Ų10049%0.48554%0.537SS..Hα-helixtrans-63.3-32.7176.400000113.1E2240 L2242 G2248E2240-G2244 PolarHBondContact O-N 2.95Å; L2242-G2244 PolarHBondContact O-N 3.08Å; G2244-G2248 PolarHBondContact O-N 2.89Å
2245R34.3Very low33Very low114 Ų11496.8 Ų96.843%0.4353%0.526SS..Hα-helixtrans-73.1-37.2170.5-77.7171.4170.6-124.2-10.3112.7E2128 C2241 L2242 I2243 G2248 Q2249E2128-R2245 IonicContact OE1-NH1 3.35Å; C2241-R2245 WeakPolarHBondContact O-CB 3.43Å; C2241-R2245 WeakPolarHBondContact O-CD 3.41Å; C2241-R2245 VanDerWaalsContact O-CG 3.22Å; C2241-R2245 WeakPolarHBondContact O-CG 3.5Å; C2241-R2245 PolarHBondContact O-N 3.42Å; C2241-R2245 VanDerWaalsContact O-N 3.15Å; L2242-R2245 PolarHBondContact O-N 3.37Å; I2243-R2245 VanDerWaalsContact C-N 3.29Å; I2243-R2245 PolarHBondContact O-N 3.12Å; R2245-G2248 CarbonylContact O-C 3.2Å; R2245-G2248 WeakPolarHBondContact O-CA 3.39Å; R2245-G2248 PolarHBondContact O-N 2.82Å; R2245-G2248 VanDerWaalsContact O-N 3.14Å; R2245-Q2249 PolarHBondContact O-N 3.15Å
2246W33.2Very low32.6Very low156 Ų15696.6 Ų96.659%0.59153%0.529SS*.Hα-helixtrans-65.3-44.4176.5-153.446.3000111.3L2242 I2243 G2248 Q2249 I2250L2242-W2246 WeakPolarHBondContact O-CB 3.49Å; L2242-W2246 PolarHBondContact O-N 2.97Å; I2243-W2246 WeakPolarHBondContact O-CB 3.5Å; I2243-W2246 PolarHBondContact O-N 3.01Å; I2243-W2246 VanDerWaalsContact O-N 3.13Å; W2246-G2248 VanDerWaalsContact C-N 3.3Å; W2246-G2248 PolarHBondContact O-N 3.32Å; W2246-Q2249 PolarHBondContact O-N 3.09Å; W2246-I2250 WeakPolarHBondContact O-CG1 3.49Å; W2246-I2250 PolarHBondContact O-N 2.74Å
2247I35.9Very low32.5Very low88 Ų8894 Ų9445%0.45151%0.512SS..Hα-helixtrans-64.6-34.4170-64.9170000111.1I2243 I2250 K2251I2243-I2247 HydrophobicContact CG2-CD1 3.84Å; I2243-I2247 HydrophobicContact CG2-CG1 4.45Å; I2243-I2247 WeakPolarHBondContact O-CG1 3.28Å; I2243-I2247 PolarHBondContact O-N 3.47Å; I2247-I2250 PolarHBondContact O-N 2.83Å; I2247-K2251 PolarHBondContact O-N 2.76Å
2248G34.9Very low31.7Very low32 Ų3298.9 Ų98.933%0.3354%0.537SS..Hα-helixtrans-65.3-35.3171.300000114.1G2244 R2245 W2246 K2251 K2252G2244-G2248 PolarHBondContact O-N 2.89Å; R2245-G2248 CarbonylContact O-C 3.2Å; R2245-G2248 WeakPolarHBondContact O-CA 3.39Å; R2245-G2248 PolarHBondContact O-N 2.82Å; R2245-G2248 VanDerWaalsContact O-N 3.14Å; W2246-G2248 VanDerWaalsContact C-N 3.3Å; W2246-G2248 PolarHBondContact O-N 3.32Å; G2248-K2251 PolarHBondContact O-N 2.82Å; G2248-K2252 PolarHBondContact O-N 3Å; G2248-K2252 VanDerWaalsContact O-N 3.1Å
2249Q31.6Very low31.2Very low60 Ų60100.5 Ų100.528%0.2854%0.541SS..Hα-helixtrans-71-40.8173.1-77.9167.8-7.700110.9N2125 E2128 R2245 W2246 K2251 K2252 V2253N2125-Q2249 PolarHBondContact OD1-NE2 2.76Å; E2128-Q2249 PolarHBondContact OE2-NE2 2.96Å; E2128-Q2249 VanDerWaalsContact OE2-NE2 3.09Å; R2245-Q2249 PolarHBondContact O-N 3.15Å; W2246-Q2249 PolarHBondContact O-N 3.09Å; Q2249-K2251 VanDerWaalsContact C-N 3.28Å; Q2249-K2251 PolarHBondContact O-N 2.77Å; Q2249-K2252 WeakPolarHBondContact O-CA 3.42Å; Q2249-K2252 WeakPolarHBondContact O-CB 3.46Å; Q2249-K2252 PolarHBondContact O-N 3.24Å; Q2249-V2253 PolarHBondContact O-N 3.28Å
2250I32Very low30.6Very low102 Ų10297.8 Ų97.852%0.52354%0.536SS..Hα-helixtrans-56.6-42.5170.9-69.6162.1000110.7W2246 I2247 K2252 V2253 S2254W2246-I2250 WeakPolarHBondContact O-CG1 3.49Å; W2246-I2250 PolarHBondContact O-N 2.74Å; I2247-I2250 PolarHBondContact O-N 2.83Å; I2250-K2252 VanDerWaalsContact C-N 3.3Å; I2250-K2252 PolarHBondContact O-N 3.11Å; I2250-V2253 PolarHBondContact O-N 2.75Å; I2250-S2254 PolarHBondContact O-OG 3.33Å
2251K29.2Very low30Very low119 Ų11997.6 Ų97.652%0.51755%0.549SS..Hα-helixtrans-67.2-22.8172.9-74.2-174.7176.1-175.40114.7I2247 G2248 Q2249 S2254I2247-K2251 PolarHBondContact O-N 2.76Å; G2248-K2251 PolarHBondContact O-N 2.82Å; Q2249-K2251 VanDerWaalsContact C-N 3.28Å; Q2249-K2251 PolarHBondContact O-N 2.77Å; K2251-S2254 WeakPolarHBondContact O-CB 3.42Å; K2251-S2254 PolarHBondContact O-N 2.75Å
2252K29Very low29.4Very low126 Ų12698.9 Ų98.955%0.54856%0.559SS.*Hα-helixtrans-80.7-26.1172.7-88.6-168.2169.4-169.50113.5G2248 Q2249 I2250 S2254 S2255G2248-K2252 PolarHBondContact O-N 3Å; G2248-K2252 VanDerWaalsContact O-N 3.1Å; Q2249-K2252 WeakPolarHBondContact O-CA 3.42Å; Q2249-K2252 WeakPolarHBondContact O-CB 3.46Å; Q2249-K2252 PolarHBondContact O-N 3.24Å; I2250-K2252 VanDerWaalsContact C-N 3.3Å; I2250-K2252 PolarHBondContact O-N 3.11Å; K2252-S2254 PolarHBondContact O-N 3Å; K2252-S2255 CarbonylContact O-C 3.49Å; K2252-S2255 PolarHBondContact O-N 2.8Å; K2252-S2255 PolarHBondContact O-OG 3.25Å
2253V29Very low28.9Very low130 Ų130100 Ų10079%0.78857%0.573SS**Hα-helixtrans-63.3-24.8167.4178.90000110.7Q2249 I2250 S2255Q2249-V2253 PolarHBondContact O-N 3.28Å; I2250-V2253 PolarHBondContact O-N 2.75Å; V2253-S2255 VanDerWaalsContact C-N 3.28Å; V2253-S2255 PolarHBondContact O-N 3.46Å
2254S26.3Very low28.2Very low102 Ų102103.7 Ų103.771%0.71360%0.597SS**THydrogen-bonded Turntrans-77.8-0.9169.6-38.40000114.8I2250 K2251 K2252I2250-S2254 PolarHBondContact O-OG 3.33Å; K2251-S2254 WeakPolarHBondContact O-CB 3.42Å; K2251-S2254 PolarHBondContact O-N 2.75Å; K2252-S2254 PolarHBondContact O-N 3Å
2255S22.8Very low27.5Very low81 Ų81108.1 Ų108.157%0.56661%0.609SS**SBendtrans-14748.6-169.379.40000114.4K2252 V2253K2252-S2255 CarbonylContact O-C 3.49Å; K2252-S2255 PolarHBondContact O-N 2.8Å; K2252-S2255 PolarHBondContact O-OG 3.25Å; V2253-S2255 VanDerWaalsContact C-N 3.28Å; V2253-S2255 PolarHBondContact O-N 3.46Å
2256V24.1Very low26.9Very low115 Ų115110.4 Ų110.470%0.69763%0.629SS**SBendtrans-130.2116.3165.5179.20000109.7
2257H28.8Very low26.4Very low94 Ų94109.4 Ų109.444%0.43563%0.634SS.*  trans27.894.4168.8-82.2-70.9000119.7F2088 T2259F2088-H2257 AromaticContact CD2-CE1 3.33Å; F2088-H2257 WeakPolarHBondContact CD2-CE1 3.16Å; F2088-H2257 AromaticContact CD2-NE2 3.46Å; F2088-H2257 WeakPolarHBondContact CD2-NE2 3.32Å; F2088-H2257 AromaticContact CE2-CE1 3.38Å; F2088-H2257 WeakPolarHBondContact CE2-CE1 3.35Å; F2088-H2257 AromaticContact CE2-NE2 3.53Å; H2257-T2259 HydrophobicContact CB-CG2 4.29Å; H2257-T2259 WeakPolarHBondContact ND1-CG2 3.49Å; H2257-T2259 PolarHBondContact O-N 2.84Å
2258L23.1Very low25.7Very low184 Ų184109.4 Ų109.496%0.96364%0.642SS**  trans-66.481.1139.9-77.6162.6000109.8
2259T22.6Very low25.1Very low89 Ų89112.8 Ų112.855%0.54666%0.661SS.*  trans-109.170.316637.40000110.5H2257H2257-T2259 HydrophobicContact CB-CG2 4.29Å; H2257-T2259 WeakPolarHBondContact ND1-CG2 3.49Å; H2257-T2259 PolarHBondContact O-N 2.84Å
2260A23.5Very low24.9Very low62 Ų62115.6 Ų115.651%0.51269%0.687SS.*  trans-13575.6167.800000108.7
2261S23.7Very low24.4Very low123 Ų123115.8 Ų115.886%0.8670%0.698SS**  trans-61.1135.9176.332.10000111.4
2262S23.6Very low24.3Very low103 Ų103116 Ų11672%0.7271%0.711SS**  trans-73.2135.9-171.9-57.60000112.9T2264S2262-T2264 PolarHBondContact O-N 3.06Å; S2262-T2264 VanDerWaalsContact O-N 3.09Å
2263P24.4Very low24.1Very low132 Ų132116.9 Ų116.986%0.85773%0.727SS**  trans-81.581.4167.433.3-32.6000110
2264T22.9Very low23.8Very low118 Ų118115.8 Ų115.872%0.72472%0.724SS**  trans-139.1100.9168.6-53.10000111.5S2262 L2266S2262-T2264 PolarHBondContact O-N 3.06Å; S2262-T2264 VanDerWaalsContact O-N 3.09Å; T2264-L2266 PolarHBondContact O-N 3.16Å
2265L22.7Very low23.6Very low140 Ų140117.9 Ų117.973%0.73373%0.727SS**  trans16.397154.3-65.7168.3000117.5L2267L2265-L2267 HydrophobicContact CB-CB 4.47Å; L2265-L2267 HydrophobicContact CD1-CD1 4.49Å; L2265-L2267 HydrophobicContact CD2-CD1 4.47Å; L2265-L2267 HydrophobicContact CD2-CG 4.43Å; L2265-L2267 PolarHBondContact O-N 3.44Å; L2265-L2267 VanDerWaalsContact O-N 3.12Å
2266L22.2Very low23.7Very low163 Ų163120.4 Ų120.485%0.85374%0.739SS**  trans-75.182.8137.3-103.1171.7000108.4T2264 S2268T2264-L2266 PolarHBondContact O-N 3.16Å; L2266-S2268 PolarHBondContact O-N 3.33Å
2267L22Very low23.6Very low134 Ų134120.4 Ų120.470%0.70274%0.744SS**  trans-77.863.5161.7-122.7172.5000108.4L2265 S2269L2265-L2267 HydrophobicContact CB-CB 4.47Å; L2265-L2267 HydrophobicContact CD1-CD1 4.49Å; L2265-L2267 HydrophobicContact CD2-CD1 4.47Å; L2265-L2267 HydrophobicContact CD2-CG 4.43Å; L2265-L2267 PolarHBondContact O-N 3.44Å; L2265-L2267 VanDerWaalsContact O-N 3.12Å; L2267-S2269 VanDerWaalsContact C-N 3.29Å; L2267-S2269 PolarHBondContact O-N 3.34Å
2268S22.3Very low23.3Very low89 Ų89120.6 Ų120.662%0.62276%0.756SS**  trans-75.784.5173.157.70000109.2L2266 S2270L2266-S2268 PolarHBondContact O-N 3.33Å; S2268-S2270 PolarHBondContact O-N 3.34Å
2269S22Very low23.4Very low102 Ų102120.2 Ų120.271%0.71375%0.748SS**  trans-64.597.8169.2540000109.6L2267 S2271L2267-S2269 VanDerWaalsContact C-N 3.29Å; L2267-S2269 PolarHBondContact O-N 3.34Å; S2269-S2271 VanDerWaalsContact C-N 3.31Å; S2269-S2271 PolarHBondContact O-N 3.27Å
2270S25.7Very low23.4Very low119 Ų119123 Ų12383%0.83276%0.759SS**  trans-71.486.7171.846.30000110.6S2268S2268-S2270 PolarHBondContact O-N 3.34Å
2271S23.3Very low23.5Very low107 Ų107126.5 Ų126.575%0.74877%0.769SS**  trans-128.2140.6150.8-740000107.8S2269S2269-S2271 VanDerWaalsContact C-N 3.31Å; S2269-S2271 PolarHBondContact O-N 3.27Å
2272P26.3Very low23.6Very low123 Ų123126.7 Ų126.780%0.79976%0.76SS**  trans-81.4147.2-161.132-36.5000113
2273V24.7Very low23.6Very low144 Ų144127.7 Ų127.787%0.87376%0.757SS**  -175.1158.2126.8144.10000108.9
2274C22.6Very low23.7Very low108 Ų108127.5 Ų127.573%0.7375%0.749SS**  trans-83167-167.6-49.80000115.2
2275D22.8Very low23.8Very low146 Ų146127.9 Ų127.978%0.78175%0.747SS**  trans13.4128.7146.9-49.1-47.2000119.8
2276V24.4Very low24.1Very low134 Ų134128.2 Ų128.281%0.81275%0.749SS**  179.2142.595.6154.10000108.6
2277S22.4Very low24.2Very low114 Ų114125.5 Ų125.580%0.79774%0.739SS**  trans-99.8133.4171.249.50000111.7
2278S22.7Very low24.3Very low99 Ų99126.1 Ų126.169%0.69274%0.743SS**  trans-171128.6150.213.60000113.3
2279H23.5Very low24.4Very low175 Ų175131.3 Ų131.381%0.8176%0.758SS**  trans44.1114.6137.9-65.1-63.3000121.2
2280I24Very low24.4Very low149 Ų149134 Ų13476%0.76476%0.763SS**  167.5143.4100.3-97.8145.3000114.3
2281N26.2Very low24.2Very low134 Ų134132.9 Ų132.972%0.71776%0.756SS**  trans58.8110.1162.3-71.27.5000123.1
2282D24.3Very low24.3Very low128 Ų128134.7 Ų134.768%0.68476%0.757SS**  48.2118.192.4-7333.5000122.2
2283N24.6Very low24.1Very low124 Ų124136 Ų13666%0.66376%0.755SS**  87.6119.2123.3-71.3-36.2000123.1
2284N25.8Very low24.1Very low127 Ų127135.6 Ų135.668%0.67975%0.749SS**  trans89.6113.2136.2-65.5-20.7000121.9
2285N25.9Very low24.2Very low126 Ų126138.2 Ų138.267%0.67475%0.75SS**  57116.4124.4-49.8-14.9000118.8
2286D28Very low24.3Very low148 Ų148141.7 Ų141.779%0.79175%0.752SS**  -15913176.9-84.2-31.5000108.5
2287V23.7Very low24.2Very low106 Ų106142.4 Ų142.464%0.64275%0.751SS**  66.68064.6-174.50000112.9
2288N25Very low24.3Very low146 Ų146143.6 Ų143.678%0.78175%0.747SS**  168.282.3126.5-89.2-52.5000113.8
2289Q23.4Very low24.4Very low199 Ų199146.7 Ų146.793%0.9376%0.755SS**  trans-175.1100.1148.4-111.3164.192.600110.4
2290L23.9Very low24.3Very low157 Ų157144.6 Ų144.682%0.82276%0.755SS**  trans-149.176.8170.5-109.8173.6000111.3
2291S21.6Very low24.3Very low97 Ų97146.7 Ų146.768%0.67876%0.761SS**  trans-67.4155.4144.150.80000109.4
2292N24.4Very low24.3Very low144 Ų144146.8 Ų146.877%0.7777%0.767SS**  trans73.779-179.6-50.2-18.7000114.6D2294N2292-D2294 PolarHBondContact O-N 2.84Å
2293I23.1Very low24.3Very low150 Ų150149.8 Ų149.877%0.76978%0.776SS**  trans-76.7110150.4-63.3174.9000106.8
2294D24.4Very low24.2Very low137 Ų137151.5 Ų151.573%0.73379%0.786SS**  trans-116.7131.8167.4-166.11.1000109.2N2292 R2296N2292-D2294 PolarHBondContact O-N 2.84Å; D2294-R2296 PolarHBondContact O-N 3.44Å
2295H24.5Very low24.2Very low162 Ų162152.5 Ų152.575%0.7580%0.796SS**SBendtrans-8676.6-160.8-90.3-88.4000112.5
2296R23.6Very low24Very low219 Ų219152.1 Ų152.183%0.82680%0.803SS**  trans-127.9-7.8179-84.5-172168177.3-2119.3D2294D2294-R2296 PolarHBondContact O-N 3.44Å
2297N23.3Very low23.8Very low149 Ų149150.4 Ų150.480%0.79780%0.803SS**  trans-118.279.4-177.3-71.3-10000113.7
2298I24Very low24Very low139 Ų139152.4 Ų152.471%0.71382%0.815SS**SBendtrans-143.636.5165.3-36.5177.7000111.8
2299L24.6Very low24Very low165 Ų165150 Ų15086%0.86481%0.81SS**  trans-145.950177.6-80.4-177.6000113
2300T22.8Very low24.1Very low131 Ų131152.3 Ų152.380%0.80481%0.81SS**SBendtrans-132.217178.234.60000114.4
2301E23.9Very low24.2Very low193 Ų193147.6 Ų147.690%0.90280%0.8SS**SBendtrans-121.925.5-179.7-70.4-164.7123.200114.6
2302V26.4Very low24.4Very low136 Ų136149.6 Ų149.682%0.82481%0.808SS**SBendtrans-136.132.3177.4-150.10000114.5
2303E22.7Very low24.6Very low190 Ų190147.9 Ų147.989%0.88881%0.805SS**  trans-125.865.2170.9-70.2-161138.700112
2304N23Very low24.8Very low161 Ų161148.6 Ų148.686%0.86180%0.799SS**  trans-158.238.5171.1-117.2-30.8000116.8
2305V26.2Very low25.1Very low148 Ų148146.5 Ų146.590%0.89779%0.79SS**  trans-138.2106.2165.1-174.20000111.1
2306S22.1Very low25.4Very low117 Ų117145.5 Ų145.582%0.81879%0.789SS**  trans-142.858.2-179.555.10000114
2307S23.9Very low25.8Very low113 Ų113140.5 Ų140.579%0.7978%0.778SS**  trans-173.7109.5155.537.60000115.2
2308V26.7Very low26.2Very low147 Ų147139 Ų13989%0.89177%0.767SS**  trans-150.5143.5138.8173.30000106.9
2309S25.9Very low26.7Very low97 Ų97135.7 Ų135.768%0.67875%0.749SS**  trans-120.6150.5170.572.90000111.5
2310R24.6Very low27.2Very low246 Ų246130.1 Ų130.193%0.92873%0.727SS**  trans69.7124.3177.6-52.2171.3174.5166-1.7115.2
2311G25.6Very low27.8Very low59 Ų59128 Ų12861%0.60871%0.708SS**  trans150.656.5169.300000117.4P2313G2311-P2313 VanDerWaalsContact O-CD 3.29Å; G2311-P2313 WeakPolarHBondContact O-CD 3.5Å
2312T27.6Very low28.3Very low139 Ų139126.3 Ų126.385%0.85370%0.695SS**THydrogen-bonded Turntrans-76.386.7170.447.20000111
2313P28.2Very low28.8Very low108 Ų108124.7 Ų124.770%0.70168%0.681SS**THydrogen-bonded Turn-132.7-10.3116.411.59.6000114.8G2311 V2315G2311-P2313 VanDerWaalsContact O-CD 3.29Å; G2311-P2313 WeakPolarHBondContact O-CD 3.5Å; P2313-V2315 VanDerWaalsContact C-N 3.28Å; P2313-V2315 PolarHBondContact O-N 3.47Å; P2313-V2315 VanDerWaalsContact O-N 3.15Å
2314Y27.5Very low29.5Very low164 Ų164122.2 Ų122.264%0.64366%0.663SS**THydrogen-bonded Turntrans-68.6-17.4-165.5-111.3-93.9000116I2316 L2317Y2314-I2316 VanDerWaalsContact C-N 3.33Å; Y2314-I2316 PolarHBondContact O-N 3.39Å; Y2314-L2317 PolarHBondContact O-N 3.08Å
2315V30.9Very low30Very low93 Ų93116.4 Ų116.456%0.56464%0.635SS**Hα-helixtrans-68.7-26.4-169.5-178.80000113.5P2313 I2319P2313-V2315 VanDerWaalsContact C-N 3.28Å; P2313-V2315 PolarHBondContact O-N 3.47Å; P2313-V2315 VanDerWaalsContact O-N 3.15Å; V2315-I2319 HydrophobicContact CG1-CD1 3.93Å; V2315-I2319 WeakPolarHBondContact O-CD1 3.16Å; V2315-I2319 VanDerWaalsContact O-CG1 3.32Å; V2315-I2319 WeakPolarHBondContact O-CG1 3.43Å; V2315-I2319 PolarHBondContact O-N 3.02Å
2316I30.6Very low30.2Very low141 Ų141113.5 Ų113.572%0.72361%0.614SS**Hα-helixtrans-73.7-36.1-178.2-63.1177.3000111.4Y2314 A2320Y2314-I2316 VanDerWaalsContact C-N 3.33Å; Y2314-I2316 PolarHBondContact O-N 3.39Å; I2316-A2320 PolarHBondContact O-N 3.15Å
2317L31.4Very low30.8Very low114 Ų114113.6 Ų113.660%0.59761%0.61SS**Hα-helixtrans-70.8-47.6179.5-84.2161.5000112.2Y2314 I2319 A2320 E2321Y2314-L2317 PolarHBondContact O-N 3.08Å; L2317-I2319 VanDerWaalsContact C-N 3.28Å; L2317-I2319 PolarHBondContact O-N 3.17Å; L2317-A2320 WeakPolarHBondContact O-CA 3.17Å; L2317-A2320 WeakPolarHBondContact O-CB 3.28Å; L2317-A2320 PolarHBondContact O-N 3.11Å; L2317-E2321 PolarHBondContact O-N 3.03Å
2318H31.3Very low31.2Very low119 Ų119115 Ų11555%0.55160%0.604SS**Hα-helixtrans-67.4-23.9178.5-84.2-16.2000113.9E2321 Y2322H2318-E2321 IonicContact CE1-OE2 3.53Å; H2318-E2321 PolarHBondContact CE1-OE2 3.04Å; H2318-E2321 IonicContact CG-OE2 3.42Å; H2318-E2321 IonicContact ND1-OE2 2.82Å; H2318-E2321 PolarHBondContact ND1-OE2 3.37Å; H2318-E2321 PolarHBondContact O-N 2.92Å; H2318-Y2322 WeakPolarHBondContact O-CB 3.48Å; H2318-Y2322 PolarHBondContact O-N 3.32Å
2319I34.4Very low31.4Very low69 Ų69113.3 Ų113.335%0.35459%0.589SS.*Hα-helixtrans-68.2-40.1169.4-70.5168.3000110.5V2315 L2317 E2321 L2323V2315-I2319 HydrophobicContact CG1-CD1 3.93Å; V2315-I2319 WeakPolarHBondContact O-CD1 3.16Å; V2315-I2319 VanDerWaalsContact O-CG1 3.32Å; V2315-I2319 WeakPolarHBondContact O-CG1 3.43Å; V2315-I2319 PolarHBondContact O-N 3.02Å; L2317-I2319 VanDerWaalsContact C-N 3.28Å; L2317-I2319 PolarHBondContact O-N 3.17Å; I2319-E2321 VanDerWaalsContact C-N 3.35Å; I2319-L2323 HydrophobicContact CG2-CD1 3.99Å; I2319-L2323 WeakPolarHBondContact O-CB 3.47Å; I2319-L2323 VanDerWaalsContact O-CG 3.29Å; I2319-L2323 WeakPolarHBondContact O-CG 3.36Å; I2319-L2323 PolarHBondContact O-N 2.82Å
2320A35.1Very low31.6Very low48 Ų48111.7 Ų111.740%0.39759%0.587SS.*Hα-helixtrans-66.3-36.1174.800000112.2I2316 L2317 R2324I2316-A2320 PolarHBondContact O-N 3.15Å; L2317-A2320 WeakPolarHBondContact O-CA 3.17Å; L2317-A2320 WeakPolarHBondContact O-CB 3.28Å; L2317-A2320 PolarHBondContact O-N 3.11Å; A2320-R2324 VanDerWaalsContact O-CB 3.27Å; A2320-R2324 WeakPolarHBondContact O-CB 3.43Å; A2320-R2324 PolarHBondContact O-N 3.3Å
2321E36.5Very low31.6Very low87 Ų87109.7 Ų109.741%0.40758%0.58SS.*Hα-helixtrans-75.6-34.1176.5-68.8172.6141.900113.2L2317 H2318 I2319 R2324 S2325L2317-E2321 PolarHBondContact O-N 3.03Å; H2318-E2321 IonicContact CE1-OE2 3.53Å; H2318-E2321 PolarHBondContact CE1-OE2 3.04Å; H2318-E2321 IonicContact CG-OE2 3.42Å; H2318-E2321 IonicContact ND1-OE2 2.82Å; H2318-E2321 PolarHBondContact ND1-OE2 3.37Å; H2318-E2321 PolarHBondContact O-N 2.92Å; I2319-E2321 VanDerWaalsContact C-N 3.35Å; E2321-R2324 PolarHBondContact O-N 3.4Å; E2321-S2325 WeakPolarHBondContact O-CB 3.43Å; E2321-S2325 PolarHBondContact O-N 3.22Å; E2321-S2325 PolarHBondContact O-OG 2.89Å
2322Y34.9Very low31.7Very low156 Ų156115.3 Ų115.361%0.61259%0.59SS**Hα-helixtrans-71.4-35.2174-172.8-99.7000112.3H2318 S2325 L2326H2318-Y2322 WeakPolarHBondContact O-CB 3.48Å; H2318-Y2322 PolarHBondContact O-N 3.32Å; Y2322-S2325 PolarHBondContact O-OG 3.13Å; Y2322-L2326 HydrophobicContact CD1-CD1 3.86Å; Y2322-L2326 HydrophobicContact CE1-CD1 3.57Å; Y2322-L2326 HydrophobicContact CE1-CG 4.32Å; Y2322-L2326 WeakPolarHBondContact O-CB 3.44Å; Y2322-L2326 WeakPolarHBondContact O-CG 3.09Å; Y2322-L2326 PolarHBondContact O-N 3.31Å
2323L35.3Very low31.8Very low103 Ų103117.1 Ų117.154%0.53959%0.594SS.*Hα-helixtrans-70.2-36.8169.8-70.8170.7000111.6I2319 V2327I2319-L2323 HydrophobicContact CG2-CD1 3.99Å; I2319-L2323 WeakPolarHBondContact O-CB 3.47Å; I2319-L2323 VanDerWaalsContact O-CG 3.29Å; I2319-L2323 WeakPolarHBondContact O-CG 3.36Å; I2319-L2323 PolarHBondContact O-N 2.82Å; L2323-V2327 WeakPolarHBondContact O-CG2 3.45Å; L2323-V2327 PolarHBondContact O-N 2.85Å
2324R37Very low32.1Very low138 Ų138117.5 Ų117.552%0.52160%0.598SS.*Hα-helixtrans-63.5-46.7173-173.7-177.7-62.9141.92.9111.4A2320 E2321 L2326 V2327 E2328A2320-R2324 VanDerWaalsContact O-CB 3.27Å; A2320-R2324 WeakPolarHBondContact O-CB 3.43Å; A2320-R2324 PolarHBondContact O-N 3.3Å; E2321-R2324 PolarHBondContact O-N 3.4Å; R2324-L2326 PolarHBondContact O-N 3.37Å; R2324-V2327 PolarHBondContact O-N 3.09Å; R2324-V2327 VanDerWaalsContact O-N 3.12Å; R2324-E2328 WeakPolarHBondContact CD-OE1 3.45Å; R2324-E2328 HydrophobicContact CG-CG 4.27Å; R2324-E2328 VanDerWaalsContact CG-OE1 3.27Å; R2324-E2328 WeakPolarHBondContact CG-OE1 3.31Å; R2324-E2328 WeakPolarHBondContact O-CG 3.49Å; R2324-E2328 PolarHBondContact O-N 2.92Å
2325S34.3Very low33.2Very low39 Ų39112.9 Ų112.927%0.27359%0.589SS.*Hα-helixtrans-67.9-35.2179.267.60000112.7E2321 Y2322 V2327 E2328 I2329E2321-S2325 WeakPolarHBondContact O-CB 3.43Å; E2321-S2325 PolarHBondContact O-N 3.22Å; E2321-S2325 PolarHBondContact O-OG 2.89Å; Y2322-S2325 PolarHBondContact O-OG 3.13Å; S2325-V2327 PolarHBondContact O-N 3.34Å; S2325-E2328 PolarHBondContact O-N 3.4Å; S2325-I2329 WeakPolarHBondContact O-CB 3.24Å; S2325-I2329 WeakPolarHBondContact O-CD1 3.35Å; S2325-I2329 WeakPolarHBondContact O-CG1 3.4Å; S2325-I2329 PolarHBondContact O-N 3.14Å
2326L30.7Very low34.8Very low86 Ų86112.6 Ų112.645%0.4559%0.59SS.*Hα-helixtrans-60.4-33.1170.5-81.7169.5000113Y2322 R2324Y2322-L2326 HydrophobicContact CD1-CD1 3.86Å; Y2322-L2326 HydrophobicContact CE1-CD1 3.57Å; Y2322-L2326 HydrophobicContact CE1-CG 4.32Å; Y2322-L2326 WeakPolarHBondContact O-CB 3.44Å; Y2322-L2326 WeakPolarHBondContact O-CG 3.09Å; Y2322-L2326 PolarHBondContact O-N 3.31Å; R2324-L2326 PolarHBondContact O-N 3.37Å
2327V34.1Very low37.2Very low119 Ų119113.8 Ų113.872%0.72159%0.585SS**Hα-helixtrans-77.8-40.7174172.40000111.6L2323 R2324 S2325 G2330L2323-V2327 WeakPolarHBondContact O-CG2 3.45Å; L2323-V2327 PolarHBondContact O-N 2.85Å; R2324-V2327 PolarHBondContact O-N 3.09Å; R2324-V2327 VanDerWaalsContact O-N 3.12Å; S2325-V2327 PolarHBondContact O-N 3.34Å; V2327-G2330 PolarHBondContact O-N 3.32Å
2328E32.1Very low39.9Very low142 Ų142108.7 Ų108.766%0.66456%0.558SS**Hα-helixtrans-73.3-25-179.5-71.7169.7170.900113.7R2324 S2325 G2330R2324-E2328 WeakPolarHBondContact CD-OE1 3.45Å; R2324-E2328 HydrophobicContact CG-CG 4.27Å; R2324-E2328 VanDerWaalsContact CG-OE1 3.27Å; R2324-E2328 WeakPolarHBondContact CG-OE1 3.31Å; R2324-E2328 WeakPolarHBondContact O-CG 3.49Å; R2324-E2328 PolarHBondContact O-N 2.92Å; S2325-E2328 PolarHBondContact O-N 3.4Å; E2328-G2330 VanDerWaalsContact C-N 3.31Å
2329I32.4Very low42.7Very low113 Ų113106.5 Ų106.558%0.57955%0.55SS*.THydrogen-bonded Turntrans-80.4-10.4178.3-70.6165.9000112.5S2325 R2331S2325-I2329 WeakPolarHBondContact O-CB 3.24Å; S2325-I2329 WeakPolarHBondContact O-CD1 3.35Å; S2325-I2329 WeakPolarHBondContact O-CG1 3.4Å; S2325-I2329 PolarHBondContact O-N 3.14Å; I2329-R2331 HydrophobicContact CG2-CG 4.18Å; I2329-R2331 PolarHBondContact O-N 3.42Å; I2329-R2331 VanDerWaalsContact O-N 3.07Å
2330G28.7Very low45.1Very low63 Ų63111.7 Ų111.765%0.64957%0.565SS**  trans66.610.7168.700000116.4V2327 E2328 Q2332V2327-G2330 PolarHBondContact O-N 3.32Å; E2328-G2330 VanDerWaalsContact C-N 3.31Å; G2330-Q2332 PolarHBondContact O-N 3.09Å
2331R25.1Very low47.6Very low203 Ų203110.1 Ų110.177%0.76655%0.55SS**  trans-78.7110.3175.4-76.5-172177.6-153.21.4110.4I2329 L2333I2329-R2331 HydrophobicContact CG2-CG 4.18Å; I2329-R2331 PolarHBondContact O-N 3.42Å; I2329-R2331 VanDerWaalsContact O-N 3.07Å; R2331-L2333 PolarHBondContact O-N 3.37Å
2332Q28.1Very low50Low178 Ų178108.3 Ų108.383%0.83255%0.546SS*.  trans-53.1131.5169.7-73.5-178.4-32.300110.8G2330 C2334G2330-Q2332 PolarHBondContact O-N 3.09Å; Q2332-C2334 PolarHBondContact O-N 2.87Å
2333L29.3Very low52.4Low176 Ų176105.4 Ų105.492%0.92155%0.548SS*.  trans-69.994.5166.2-77.8165.6000108.7R2331 S2335R2331-L2333 PolarHBondContact O-N 3.37Å; L2333-S2335 PolarHBondContact O-N 3.02Å
2334C35.3Very low54.8Low117 Ų117101.8 Ų101.879%0.79153%0.532SS*.PPolyproline II helixtrans-56.8131.9169.5-67.40000109.8Q2332Q2332-C2334 PolarHBondContact O-N 2.87Å
2335S49.8Very low57.2Low67 Ų6795.3 Ų95.347%0.46951%0.507SS..PPolyproline II helixtrans-50.1145.2168.6177.90000110.4L2333 R2337L2333-S2335 PolarHBondContact O-N 3.02Å; S2335-R2337 PolarHBondContact O-N 2.69Å
2336P64.6Low59.3Low87 Ų8794 Ų9457%0.56550%0.497SS*.PPolyproline II helixtrans-48.7140.1163.5-24.834.3000110.3W2456 I2457P2336-W2456 HydrophobicContact CB-CH2 4.33Å; P2336-W2456 HydrophobicContact CB-CZ3 4.2Å; P2336-I2457 VanDerWaalsContact O-CD1 3.24Å; P2336-I2457 WeakPolarHBondContact O-CD1 3.15Å
2337R80.8Confident61.7Low166 Ų16694 Ų9463%0.62650%0.501SS*.  trans-143.6154.7178.4-71.8-160.1174.5175.2-1.5110.5S2335 E2453S2335-R2337 PolarHBondContact O-N 2.69Å; R2337-E2453 WeakPolarHBondContact CA-OE2 3.39Å; R2337-E2453 WeakPolarHBondContact CB-OE2 3.48Å; R2337-E2453 WeakPolarHBondContact CD-OE1 3.22Å; R2337-E2453 WeakPolarHBondContact CG-OE1 2.9Å; R2337-E2453 IonicContact NE-OE1 2.7Å
2338L89.2Confident64Low7 Ų789.1 Ų89.14%0.03747%0.471CS..  trans-79.1149170.4-64.9175.7000109.4R2340 L2371 I2372 V2401 F2449 L2452 E2453 W2456L2338-R2340 PolarHBondContact O-N 3.48Å; L2338-R2340 VanDerWaalsContact O-N 3.09Å; L2338-L2371 CarbonylContact C-O 3.54Å; L2338-L2371 WeakPolarHBondContact CA-O 3.43Å; L2338-L2371 HydrophobicContact CD2-CB 4.29Å; L2338-I2372 HydrophobicContact CD2-CG1 3.87Å; L2338-V2401 HydrophobicContact CD1-CG1 4.12Å; L2338-V2401 HydrophobicContact CD1-CG2 4.42Å; L2338-V2401 HydrophobicContact CD2-CB 4.08Å; L2338-V2401 HydrophobicContact CD2-CG1 4.47Å; L2338-V2401 HydrophobicContact CD2-CG2 4.02Å; L2338-F2449 HydrophobicContact CB-CE1 3.94Å; L2338-F2449 HydrophobicContact CB-CZ 3.59Å; L2338-L2452 HydrophobicContact CD1-CD2 3.95Å; L2338-L2452 HydrophobicContact CD1-CG 3.83Å; L2338-E2453 HydrophobicContact CD1-CB 4.14Å; L2338-E2453 HydrophobicContact CG-CB 4.36Å; L2338-E2453 PolarHBondContact N-OE2 3.2Å; L2338-W2456 HydrophobicContact CD2-CD2 3.82Å; L2338-W2456 HydrophobicContact CD2-CE3 3.57Å; L2338-W2456 HydrophobicContact CD2-CG 4.45Å; L2338-W2456 HydrophobicContact CD2-CH2 4.24Å; L2338-W2456 HydrophobicContact CD2-CZ2 4.47Å; L2338-W2456 HydrophobicContact CD2-CZ3 3.79Å; L2338-W2456 HydrophobicContact CG-CD2 4.39Å; L2338-W2456 HydrophobicContact CG-CE3 3.79Å; L2338-W2456 HydrophobicContact CG-CZ3 4.14Å
2339I88.2Confident66.2Low72 Ų7282.4 Ų82.437%0.36944%0.439SS..  trans-66.5112.3175.6-67.3169.4000108.3T2341 L2371I2339-T2341 PolarHBondContact O-N 2.92Å; I2339-L2371 PolarHBondContact N-O 2.94Å
2340R85.6Confident68.1Low179 Ų17978 Ų7868%0.67542%0.417SS*.PPolyproline II helixtrans-63.1119.8172.3-77.9-174170.3-162.1-4.5109.8L2338 F2449L2338-R2340 PolarHBondContact O-N 3.48Å; L2338-R2340 VanDerWaalsContact O-N 3.09Å; R2340-F2449 HydrophobicContact CG-CD1 4.4Å; R2340-F2449 HydrophobicContact CG-CE1 3.83Å; R2340-F2449 HydrophobicContact CG-CZ 4.12Å
2341T86.9Confident70.2Confident14 Ų1478.1 Ų78.19%0.08641%0.411CS..PPolyproline II helixtrans-79.4167.3170.148.90000110.9I2339 L2348 L2369 L2371 L2403 Y2425 L2444I2339-T2341 PolarHBondContact O-N 2.92Å; T2341-L2348 HydrophobicContact CG2-CD1 4.3Å; T2341-L2348 HydrophobicContact CG2-CD2 3.94Å; T2341-L2369 HydrophobicContact CG2-CD2 3.83Å; T2341-L2371 HydrophobicContact CG2-CD2 3.73Å; T2341-L2403 HydrophobicContact CG2-CD2 4.38Å; T2341-Y2425 WeakPolarHBondContact CB-OH 3.5Å; T2341-Y2425 PolarHBondContact OG1-OH 3.45Å; T2341-L2444 WeakPolarHBondContact O-CD2 3.35Å
2342P87.2Confident72.5Confident49 Ų4969.6 Ų69.632%0.31838%0.381SS..PPolyproline II helixtrans-57.2150.4178.9-25.935.4000113.4S2344 V2347 L2348 Y2425P2342-S2344 VanDerWaalsContact C-N 3.26Å; P2342-S2344 PolarHBondContact O-N 2.69Å; P2342-V2347 HydrophobicContact CB-CB 4.01Å; P2342-V2347 HydrophobicContact CB-CG1 3.96Å; P2342-V2347 HydrophobicContact CG-CB 4.44Å; P2342-V2347 HydrophobicContact CG-CG1 4.04Å; P2342-L2348 HydrophobicContact CG-CB 4.36Å; P2342-L2348 HydrophobicContact CG-CD1 4.48Å; P2342-Y2425 WeakPolarHBondContact O-CE1 3.4Å; P2342-Y2425 PolarHBondContact O-OH 2.95Å
2343S86.6Confident74.2Confident95 Ų9563.3 Ų63.366%0.66435%0.352SS*.SBendtrans-62.4-29.5-179.250.40000113.8F2443 L2444S2343-F2443 CarbonylContact O-C 3.36Å; S2343-F2443 VanDerWaalsContact O-CA 3.27Å; S2343-F2443 WeakPolarHBondContact O-CA 3.48Å; S2343-L2444 PolarHBondContact O-N 3.28Å
2344S85.4Confident75.7Confident28 Ų2860.5 Ų60.520%0.19634%0.337CS..BIsolated β-bridgetrans-101.6133.3169169.40000110.7P2342 D2346 V2347P2342-S2344 VanDerWaalsContact C-N 3.26Å; P2342-S2344 PolarHBondContact O-N 2.69Å; S2344-D2346 VanDerWaalsContact C-N 3.3Å; S2344-D2346 PolarHBondContact O-N 3.42Å; S2344-D2346 PolarHBondContact OG-N 3.02Å; S2344-V2347 PolarHBondContact O-N 3.39Å
2345F86.6Confident77.1Confident1 Ų157.4 Ų57.40%0.00431%0.314CS..Hα-helixtrans-65.4-32.1176.6-169.8-113.3000112.8V2347 L2348 F2349 L2403 V2405 Y2425 L2436 L2442F2345-V2347 VanDerWaalsContact C-N 3.29Å; F2345-V2347 PolarHBondContact O-N 3.33Å; F2345-L2348 HydrophobicContact CE2-CD2 4.43Å; F2345-L2348 WeakPolarHBondContact O-CB 3.36Å; F2345-L2348 PolarHBondContact O-N 3.06Å; F2345-L2348 VanDerWaalsContact O-N 3.17Å; F2345-F2349 WeakPolarHBondContact O-CB 3.49Å; F2345-F2349 PolarHBondContact O-N 2.84Å; F2345-L2403 HydrophobicContact CE2-CD1 4.48Å; F2345-L2403 HydrophobicContact CE2-CD2 4.45Å; F2345-V2405 WeakPolarHBondContact CE1-O 3.47Å; F2345-V2405 HydrophobicContact CZ-CG1 4.32Å; F2345-V2405 WeakPolarHBondContact CZ-O 3.46Å; F2345-Y2425 HydrophobicContact CB-CD1 3.58Å; F2345-Y2425 HydrophobicContact CB-CE1 3.83Å; F2345-Y2425 HydrophobicContact CB-CG 4.01Å; F2345-Y2425 AromaticContact CD2-CD1 3.95Å; F2345-Y2425 HydrophobicContact CD2-CD1 3.95Å; F2345-Y2425 AromaticContact CD2-CD2 3.45Å; F2345-Y2425 HydrophobicContact CD2-CD2 3.45Å; F2345-Y2425 VanDerWaalsContact CD2-CD2 3.45Å; F2345-Y2425 HydrophobicContact CD2-CE1 4.08Å; F2345-Y2425 AromaticContact CD2-CE2 3.61Å; F2345-Y2425 HydrophobicContact CD2-CE2 3.61Å; F2345-Y2425 AromaticContact CD2-CG 3.63Å; F2345-Y2425 HydrophobicContact CD2-CG 3.63Å; F2345-Y2425 AromaticContact CD2-CZ 3.91Å; F2345-Y2425 AromaticContact CE2-CD2 3.97Å; F2345-Y2425 HydrophobicContact CE2-CD2 3.97Å; F2345-Y2425 HydrophobicContact CE2-CE2 4.19Å; F2345-Y2425 HydrophobicContact CE2-CG 4.47Å; F2345-Y2425 HydrophobicContact CG-CD1 4.19Å; F2345-Y2425 HydrophobicContact CG-CD2 4.39Å; F2345-Y2425 HydrophobicContact CG-CE1 4.48Å; F2345-Y2425 HydrophobicContact CG-CG 4.14Å; F2345-L2436 HydrophobicContact CD1-CD2 4.27Å; F2345-L2436 HydrophobicContact CE1-CD1 4Å; F2345-L2436 HydrophobicContact CE1-CD2 3.81Å; F2345-L2436 HydrophobicContact CE1-CG 4.49Å; F2345-L2442 HydrophobicContact CB-CB 3.91Å; F2345-L2442 WeakPolarHBondContact CB-O 3.25Å; F2345-L2442 HydrophobicContact CD1-CD1 4.33Å; F2345-L2442 PolarHBondContact N-O 2.95Å
2346D78.5Confident77.9Confident11 Ų1157.9 Ų57.96%0.05931%0.311CS..Hα-helixtrans-71.6-24-177.6-72.6-67.2000113.2K144 S2344 N2350K144-D2346 IonicContact NZ-OD1 2.74Å; K144-D2346 PolarHBondContact NZ-OD1 3.15Å; S2344-D2346 VanDerWaalsContact C-N 3.3Å; S2344-D2346 PolarHBondContact O-N 3.42Å; S2344-D2346 PolarHBondContact OG-N 3.02Å; D2346-N2350 WeakPolarHBondContact O-CB 3.36Å; D2346-N2350 PolarHBondContact O-N 3.21Å; D2346-N2350 PolarHBondContact O-ND2 3.2Å
2347V80.2Confident78.1Confident88 Ų8853.9 Ų53.953%0.53329%0.286SS..Hα-helixtrans-64.9-46.9168.8177.70000110.1P2342 S2344 F2345 A2351P2342-V2347 HydrophobicContact CB-CB 4.01Å; P2342-V2347 HydrophobicContact CB-CG1 3.96Å; P2342-V2347 HydrophobicContact CG-CB 4.44Å; P2342-V2347 HydrophobicContact CG-CG1 4.04Å; S2344-V2347 PolarHBondContact O-N 3.39Å; F2345-V2347 VanDerWaalsContact C-N 3.29Å; F2345-V2347 PolarHBondContact O-N 3.33Å; V2347-A2351 VanDerWaalsContact O-CB 3.24Å; V2347-A2351 WeakPolarHBondContact O-CB 3.35Å; V2347-A2351 PolarHBondContact O-N 3.31Å; V2347-A2351 VanDerWaalsContact O-N 3.13Å
2348L83.2Confident77.4Confident15 Ų1551.6 Ų51.68%0.07930%0.295CS..Hα-helixtrans-64.6-43.2177.2-172.368.3000111.7T2341 P2342 F2345 L2352 L2369 L2403 V2405T2341-L2348 HydrophobicContact CG2-CD1 4.3Å; T2341-L2348 HydrophobicContact CG2-CD2 3.94Å; P2342-L2348 HydrophobicContact CG-CB 4.36Å; P2342-L2348 HydrophobicContact CG-CD1 4.48Å; F2345-L2348 HydrophobicContact CE2-CD2 4.43Å; F2345-L2348 WeakPolarHBondContact O-CB 3.36Å; F2345-L2348 PolarHBondContact O-N 3.06Å; F2345-L2348 VanDerWaalsContact O-N 3.17Å; L2348-L2352 HydrophobicContact CD1-CD1 3.68Å; L2348-L2352 HydrophobicContact CD1-CG 4.4Å; L2348-L2352 HydrophobicContact CG-CD1 3.93Å; L2348-L2352 WeakPolarHBondContact O-CG 3.29Å; L2348-L2352 PolarHBondContact O-N 2.6Å; L2348-L2352 VanDerWaalsContact O-N 3.15Å; L2348-L2369 HydrophobicContact CD1-CD2 4.06Å; L2348-L2369 HydrophobicContact CD2-CD2 4.48Å; L2348-L2403 HydrophobicContact CD2-CD2 3.58Å; L2348-V2405 HydrophobicContact CD2-CG2 4.13Å; L2348-V2405 HydrophobicContact CG-CG1 4.39Å; L2348-V2405 HydrophobicContact CG-CG2 4.4Å
2349F78.8Confident76Confident2 Ų255.5 Ų55.51%0.00932%0.323CS..Hα-helixtrans-61.3-54.7179.3-175.9-89.9000112.1F112 K144 F2345 A2351 L2352 H2353 V2405 L2436F112-F2349 HydrophobicContact CB-CZ 4.39Å; F112-F2349 AromaticContact CD1-CZ 4Å; F112-F2349 HydrophobicContact CD1-CZ 4Å; F112-F2349 HydrophobicContact CD2-CZ 4.05Å; F112-F2349 HydrophobicContact CE1-CZ 4.2Å; F112-F2349 HydrophobicContact CE2-CZ 4.26Å; F112-F2349 AromaticContact CG-CZ 3.91Å; F112-F2349 HydrophobicContact CG-CZ 3.91Å; F112-F2349 HydrophobicContact CZ-CZ 4.32Å; K144-F2349 HydrophobicContact CD-CD1 3.94Å; K144-F2349 HydrophobicContact CD-CE1 3.7Å; K144-F2349 HydrophobicContact CD-CG 4.46Å; K144-F2349 HydrophobicContact CD-CZ 4.02Å; F2345-F2349 WeakPolarHBondContact O-CB 3.49Å; F2345-F2349 PolarHBondContact O-N 2.84Å; F2349-A2351 VanDerWaalsContact C-N 3.33Å; F2349-A2351 PolarHBondContact O-N 2.96Å; F2349-L2352 PolarHBondContact O-N 3.42Å; F2349-H2353 HydrophobicContact CE1-CB 4.48Å; F2349-H2353 WeakPolarHBondContact O-CB 3.42Å; F2349-H2353 PolarHBondContact O-N 3.03Å; F2349-V2405 HydrophobicContact CB-CG1 4.22Å; F2349-V2405 HydrophobicContact CD2-CG1 4.13Å; F2349-V2405 WeakPolarHBondContact CD2-O 3.16Å; F2349-L2436 HydrophobicContact CE2-CD1 4.3Å
2350N72.4Confident74.5Confident21 Ų2156.8 Ų56.811%0.11233%0.331CS..Hα-helixtrans-67.7-32.5-177.3-72.1-63.2000112.4Y114 S129 D2346Y114-N2350 PolarHBondContact OH-ND2 3.34Å; Y114-N2350 PolarHBondContact OH-OD1 3.43Å; S129-N2350 PolarHBondContact OG-OD1 3.1Å; D2346-N2350 WeakPolarHBondContact O-CB 3.36Å; D2346-N2350 PolarHBondContact O-N 3.21Å; D2346-N2350 PolarHBondContact O-ND2 3.2Å
2351A72.7Confident73.5Confident64 Ų6455.4 Ų55.453%0.52933%0.332SS..Hα-helixtrans-64.8-42.6175.200000112.6V2347 F2349V2347-A2351 VanDerWaalsContact O-CB 3.24Å; V2347-A2351 WeakPolarHBondContact O-CB 3.35Å; V2347-A2351 PolarHBondContact O-N 3.31Å; V2347-A2351 VanDerWaalsContact O-N 3.13Å; F2349-A2351 VanDerWaalsContact C-N 3.33Å; F2349-A2351 PolarHBondContact O-N 2.96Å
2352L72.4Confident72.1Confident25 Ų2557.5 Ų57.513%0.13134%0.341CS..Hα-helixtrans-87.4-29.7-174.6-61.4174.8000113.2L2348 F2349 L2354 V2355 N2367 L2369 L2376 V2405L2348-L2352 HydrophobicContact CD1-CD1 3.68Å; L2348-L2352 HydrophobicContact CD1-CG 4.4Å; L2348-L2352 HydrophobicContact CG-CD1 3.93Å; L2348-L2352 WeakPolarHBondContact O-CG 3.29Å; L2348-L2352 PolarHBondContact O-N 2.6Å; L2348-L2352 VanDerWaalsContact O-N 3.15Å; F2349-L2352 PolarHBondContact O-N 3.42Å; L2352-L2354 PolarHBondContact O-N 3.05Å; L2352-V2355 WeakPolarHBondContact O-CB 3.31Å; L2352-V2355 PolarHBondContact O-N 3.35Å; L2352-N2367 PolarHBondContact O-OD1 3.39Å; L2352-L2369 HydrophobicContact CD1-CB 4.48Å; L2352-L2369 HydrophobicContact CD1-CD2 4.44Å; L2352-L2376 HydrophobicContact CD1-CD2 4.49Å; L2352-L2376 HydrophobicContact CD2-CD1 4.07Å; L2352-L2376 HydrophobicContact CD2-CD2 4.23Å; L2352-L2376 HydrophobicContact CD2-CG 4.31Å; L2352-V2405 HydrophobicContact CD1-CG1 4.44Å; L2352-V2405 HydrophobicContact CD1-CG2 3.81Å
2353H64.8Low70.7Confident45 Ų4561.9 Ų61.921%0.20835%0.351CS..THydrogen-bonded Turntrans-64.6-11.9178.9-165.285.5000114.4F112 F2349F112-H2353 AromaticContact CD2-CE1 3.86Å; F2349-H2353 HydrophobicContact CE1-CB 4.48Å; F2349-H2353 WeakPolarHBondContact O-CB 3.42Å; F2349-H2353 PolarHBondContact O-N 3.03Å
2354L60.6Low69.1Low117 Ų11758.2 Ų58.261%0.61332%0.323SS*.THydrogen-bonded Turntrans-95.7-4.2175.3-67.2174.2000114L2352L2352-L2354 PolarHBondContact O-N 3.05Å
2355V65Low67.7Low53 Ų5363.3 Ų63.332%0.32134%0.344SS..PPolyproline II helixtrans-85.6140.6-177.5-170.80000110.7L2352 F2364 L2376L2352-V2355 WeakPolarHBondContact O-CB 3.31Å; L2352-V2355 PolarHBondContact O-N 3.35Å; V2355-F2364 HydrophobicContact CB-CE2 4.5Å; V2355-F2364 HydrophobicContact CG1-CE2 4.1Å; V2355-F2364 WeakPolarHBondContact O-CD2 3.22Å; V2355-L2376 HydrophobicContact CB-CD1 4.06Å; V2355-L2376 HydrophobicContact CG1-CD1 3.76Å; V2355-L2376 HydrophobicContact CG2-CD1 4.27Å
2356N66Low66.5Low76 Ų7665.8 Ų65.841%0.40636%0.357SS..BIsolated β-bridgetrans-101.6150173.2-72.8-1.9000110.7S2358 Q2361 R2363N2356-S2358 PolarHBondContact O-N 2.97Å; N2356-Q2361 WeakPolarHBondContact CB-O 3.34Å; N2356-Q2361 VanDerWaalsContact CG-O 3.25Å; N2356-Q2361 PolarHBondContact ND2-O 3.02Å; N2356-Q2361 VanDerWaalsContact ND2-O 3.11Å; N2356-R2363 WeakPolarHBondContact OD1-CG 3.12Å
2357C69.2Low66.2Low4 Ų465.4 Ų65.43%0.02736%0.355CS..PPolyproline II helixtrans-63.1129.6174.2176.90000110.9S2359 Q2361 H2362 F2364C2357-S2359 PolarHBondContact O-N 3.36Å; C2357-Q2361 WeakPolarHBondContact O-CA 3.33Å; C2357-Q2361 PolarHBondContact O-N 3.39Å; C2357-H2362 WeakPolarHBondContact CB-ND1 3.37Å; C2357-H2362 WeakPolarHBondContact CB-O 3.43Å; C2357-H2362 PolarHBondContact N-O 3.34Å; C2357-F2364 HydrophobicContact CB-CE2 4.3Å; C2357-F2364 HydrophobicContact CB-CZ 4.36Å
2358S65Low66.4Low117 Ų11761.3 Ų61.382%0.81833%0.33SS*.THydrogen-bonded Turntrans-63-26.9-178.350.90000114.1N2356N2356-S2358 PolarHBondContact O-N 2.97Å
2359S61.1Low66.7Low89 Ų8961.3 Ų61.362%0.62233%0.33SS*.THydrogen-bonded Turntrans-82.3-42.4-176.4-46.10000113.1C2357C2357-S2359 PolarHBondContact O-N 3.36Å
2360N56.4Low67.3Low100 Ų10061.3 Ų61.354%0.53533%0.33SS..THydrogen-bonded Turntrans-126.51.1-167.6-68.5-8.2000113.9H2362N2360-H2362 PolarHBondContact O-N 3.16Å
2361Q64.3Low68.2Low150 Ų15060.3 Ų60.370%0.70133%0.325SS*.  trans54.22.4-176.8-59.5-156.120.300118N2356 C2357N2356-Q2361 WeakPolarHBondContact CB-O 3.34Å; N2356-Q2361 VanDerWaalsContact CG-O 3.25Å; N2356-Q2361 PolarHBondContact ND2-O 3.02Å; N2356-Q2361 VanDerWaalsContact ND2-O 3.11Å; C2357-Q2361 WeakPolarHBondContact O-CA 3.33Å; C2357-Q2361 PolarHBondContact O-N 3.39Å
2362H58.1Low69Low58 Ų5858.8 Ų58.827%0.26931%0.307SS..  trans-66.5150167.752.745.8000111.6C2357 N2360 C2381C2357-H2362 WeakPolarHBondContact CB-ND1 3.37Å; C2357-H2362 WeakPolarHBondContact CB-O 3.43Å; C2357-H2362 PolarHBondContact N-O 3.34Å; N2360-H2362 PolarHBondContact O-N 3.16Å; H2362-C2381 VanDerWaalsContact CE1-SG 3.54Å
2363R56.7Low69.7Low141 Ų14160.5 Ų60.553%0.53232%0.321SS..BIsolated β-bridgetrans-67.9143.4172.7-78.9-176.4176.9-179.6-0.8110.3N2356 Q2365 L2380N2356-R2363 WeakPolarHBondContact OD1-CG 3.12Å; R2363-Q2365 PolarHBondContact O-N 3.29Å; R2363-Q2365 VanDerWaalsContact O-N 3.1Å; R2363-L2380 WeakPolarHBondContact O-CD1 3.36Å
2364F54.2Low70.7Confident17 Ų1760 Ų608%0.07533%0.328CS..  trans-62.5110172.5-69.3-101.6000110.3V2355 C2357 D2366 N2367 L2376 L2377 C2378V2355-F2364 HydrophobicContact CB-CE2 4.5Å; V2355-F2364 HydrophobicContact CG1-CE2 4.1Å; V2355-F2364 WeakPolarHBondContact O-CD2 3.22Å; C2357-F2364 HydrophobicContact CB-CE2 4.3Å; C2357-F2364 HydrophobicContact CB-CZ 4.36Å; F2364-D2366 VanDerWaalsContact C-N 3.31Å; F2364-N2367 VanDerWaalsContact CB-OD1 3.26Å; F2364-N2367 WeakPolarHBondContact CB-OD1 3.39Å; F2364-L2376 HydrophobicContact CE1-CB 4.06Å; F2364-L2376 HydrophobicContact CE2-CD1 4.17Å; F2364-L2376 HydrophobicContact CZ-CB 3.88Å; F2364-L2376 HydrophobicContact CZ-CD1 4.22Å; F2364-L2377 WeakPolarHBondContact CD1-O 3.45Å; F2364-L2377 WeakPolarHBondContact CE1-O 3.49Å; F2364-C2378 HydrophobicContact CD1-CB 3.85Å; F2364-C2378 HydrophobicContact CE1-CB 3.49Å; F2364-C2378 VanDerWaalsContact CE1-CB 3.49Å; F2364-C2378 HydrophobicContact CZ-CB 4.33Å
2365Q55.1Low71.9Confident135 Ų13561.3 Ų61.363%0.63133%0.325SS*.SBendtrans-67.5-33.4171.9-92-173.6-0.700112.1R2363 L2380 N2406R2363-Q2365 PolarHBondContact O-N 3.29Å; R2363-Q2365 VanDerWaalsContact O-N 3.1Å; Q2365-L2380 HydrophobicContact CB-CD1 4Å; Q2365-L2380 HydrophobicContact CB-CG 4.15Å; Q2365-L2380 HydrophobicContact CG-CD1 3.98Å; Q2365-L2380 HydrophobicContact CG-CG 4.48Å; Q2365-N2406 PolarHBondContact O-ND2 2.82Å
2366D61.8Low72.8Confident54 Ų5460.8 Ų60.829%0.28932%0.32SS..SBendtrans-123.6102.4171-41.4-59.3000108.3F2364 I2368 S2379 L2384F2364-D2366 VanDerWaalsContact C-N 3.31Å; D2366-I2368 PolarHBondContact O-N 3.14Å; D2366-I2368 VanDerWaalsContact O-N 3.11Å; D2366-S2379 WeakPolarHBondContact CB-OG 3.36Å; D2366-S2379 WeakPolarHBondContact OD2-CB 3.36Å; D2366-S2379 PolarHBondContact OD2-OG 3.24Å; D2366-L2384 HydrophobicContact CB-CD1 3.96Å
2367N72.6Confident73.5Confident2 Ų258 Ų581%0.01131%0.305CS..EExtended strand (participates in β ladder)trans-73.495.8178.4-75.5-66.6000109.9L2352 F2364 V2405 N2406L2352-N2367 PolarHBondContact O-OD1 3.39Å; F2364-N2367 VanDerWaalsContact CB-OD1 3.26Å; F2364-N2367 WeakPolarHBondContact CB-OD1 3.39Å; N2367-V2405 HydrophobicContact CB-CB 3.85Å; N2367-V2405 HydrophobicContact CB-CG2 4.46Å; N2367-V2405 WeakPolarHBondContact O-CB 3.49Å; N2367-V2405 WeakPolarHBondContact O-CG2 3.41Å; N2367-V2405 PolarHBondContact O-N 2.61Å; N2367-N2406 PolarHBondContact N-ND2 3.05Å; N2367-N2406 PolarHBondContact ND2-ND2 2.8Å; N2367-N2406 PolarHBondContact ND2-OD1 2.94Å
2368I84.5Confident73.8Confident3 Ų358.5 Ų58.52%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-97.3127.7170.6-73.2-164.9000111.3D2366 L2376 L2377 L2384 V2388 V2402 L2403 E2404D2366-I2368 PolarHBondContact O-N 3.14Å; D2366-I2368 VanDerWaalsContact O-N 3.11Å; I2368-L2376 CarbonylContact O-C 3.39Å; I2368-L2376 VanDerWaalsContact O-CA 3.31Å; I2368-L2376 WeakPolarHBondContact O-CA 3.39Å; I2368-L2376 WeakPolarHBondContact O-CD2 2.99Å; I2368-L2377 HydrophobicContact CB-CB 4.12Å; I2368-L2377 HydrophobicContact CG2-CB 3.94Å; I2368-L2377 HydrophobicContact CG2-CD1 3.92Å; I2368-L2377 HydrophobicContact CG2-CG 4.23Å; I2368-L2377 PolarHBondContact O-N 3.49Å; I2368-L2384 HydrophobicContact CD1-CD1 3.36Å; I2368-L2384 HydrophobicContact CD1-CD2 4.07Å; I2368-L2384 HydrophobicContact CD1-CG 3.6Å; I2368-L2384 HydrophobicContact CG1-CD1 3.96Å; I2368-V2388 HydrophobicContact CD1-CG2 4.18Å; I2368-V2402 HydrophobicContact CG2-CB 3.84Å; I2368-V2402 HydrophobicContact CG2-CG1 3.66Å; I2368-L2403 WeakPolarHBondContact CA-O 3.31Å; I2368-E2404 HydrophobicContact CG1-CB 4.1Å; I2368-E2404 HydrophobicContact CG1-CG 4.27Å
2369L89.1Confident74Confident15 Ų1553.9 Ų53.98%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-108.8126.4172.5178.168.6000110.6T2341 L2348 L2352 L2371 G2374 V2402 L2403 V2405T2341-L2369 HydrophobicContact CG2-CD2 3.83Å; L2348-L2369 HydrophobicContact CD1-CD2 4.06Å; L2348-L2369 HydrophobicContact CD2-CD2 4.48Å; L2352-L2369 HydrophobicContact CD1-CB 4.48Å; L2352-L2369 HydrophobicContact CD1-CD2 4.44Å; L2369-L2371 HydrophobicContact CD2-CD2 4.11Å; L2369-L2371 HydrophobicContact CG-CD2 4.41Å; L2369-L2371 PolarHBondContact O-N 3.2Å; L2369-G2374 VanDerWaalsContact CD1-O 3.31Å; L2369-G2374 WeakPolarHBondContact CD1-O 3.41Å; L2369-V2402 CarbonylContact O-C 3.54Å; L2369-V2402 WeakPolarHBondContact O-CA 3.34Å; L2369-L2403 PolarHBondContact N-O 3.45Å; L2369-L2403 PolarHBondContact O-N 3.09Å; L2369-V2405 HydrophobicContact CB-CG2 4.34Å
2370C91Very high74.2Confident2 Ų253 Ų531%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-75121.4169.1-176.80000111.3I2372 G2374 R2375 H2391 V2402C2370-I2372 VanDerWaalsContact C-N 3.26Å; C2370-I2372 PolarHBondContact O-N 3.13Å; C2370-I2372 PolarHBondContact SG-N 3.08Å; C2370-G2374 WeakPolarHBondContact O-CA 3.17Å; C2370-G2374 PolarHBondContact O-N 3.34Å; C2370-R2375 PolarHBondContact N-O 3.09Å; C2370-H2391 WeakPolarHBondContact CB-NE2 3.44Å; C2370-H2391 PolarHBondContact SG-NE2 3.27Å; C2370-V2402 HydrophobicContact CB-CG1 4.03Å
2371L91.5Very high74.7Confident0 Ų050.7 Ų50.70%026%0.255CS..THydrogen-bonded Turntrans-79.2-5.8178.6-61.1-172.2000113.4L2338 I2339 T2341 L2369 V2401 L2403 F2449 L2452L2338-L2371 CarbonylContact C-O 3.54Å; L2338-L2371 WeakPolarHBondContact CA-O 3.43Å; L2338-L2371 HydrophobicContact CD2-CB 4.29Å; I2339-L2371 PolarHBondContact N-O 2.94Å; T2341-L2371 HydrophobicContact CG2-CD2 3.73Å; L2369-L2371 HydrophobicContact CD2-CD2 4.11Å; L2369-L2371 HydrophobicContact CG-CD2 4.41Å; L2369-L2371 PolarHBondContact O-N 3.2Å; L2371-V2401 HydrophobicContact CB-CB 4.34Å; L2371-V2401 HydrophobicContact CB-CG1 4.12Å; L2371-V2401 HydrophobicContact CD1-CG1 4.01Å; L2371-V2401 HydrophobicContact CG-CG1 4.43Å; L2371-V2401 PolarHBondContact N-O 3.05Å; L2371-L2403 HydrophobicContact CD1-CB 4.28Å; L2371-L2403 HydrophobicContact CD2-CB 4.1Å; L2371-L2403 HydrophobicContact CD2-CD2 4.44Å; L2371-L2403 HydrophobicContact CG-CB 4.18Å; L2371-F2449 HydrophobicContact CD1-CE2 4.43Å; L2371-L2452 HydrophobicContact CD1-CD2 4.18Å
2372I88.8Confident74.7Confident31 Ų3146.4 Ų46.416%0.15924%0.242CC..THydrogen-bonded Turntrans-87.8-42.7175.6-58.1175000111.3L2338 C2370 S2399 V2401 W2456L2338-I2372 HydrophobicContact CD2-CG1 3.87Å; C2370-I2372 VanDerWaalsContact C-N 3.26Å; C2370-I2372 PolarHBondContact O-N 3.13Å; C2370-I2372 PolarHBondContact SG-N 3.08Å; I2372-S2399 VanDerWaalsContact CD1-O 3.24Å; I2372-S2399 WeakPolarHBondContact CD1-O 3.3Å; I2372-V2401 HydrophobicContact CD1-CG2 4.47Å; I2372-V2401 HydrophobicContact CG1-CB 4.37Å; I2372-W2456 HydrophobicContact CB-CZ2 4.42Å; I2372-W2456 HydrophobicContact CD1-CZ2 3.81Å; I2372-W2456 HydrophobicContact CG1-CH2 4.39Å; I2372-W2456 HydrophobicContact CG1-CZ2 3.78Å; I2372-W2456 HydrophobicContact CG2-CH2 4.17Å; I2372-W2456 HydrophobicContact CG2-CZ2 3.85Å
2373C87.8Confident75.2Confident62 Ų6248.4 Ų48.442%0.41925%0.254SS..THydrogen-bonded Turntrans-128.3-2.8-175.873.30000116.1R2375 H2391 C2395C2373-R2375 VanDerWaalsContact C-N 3.31Å; C2373-R2375 PolarHBondContact O-N 3.12Å; C2373-H2391 PolarHBondContact SG-CE1 3.02Å; C2373-H2391 PolarHBondContact SG-NE2 3.48Å; C2373-C2395 VanDerWaalsContact CB-SG 3.51Å; C2373-C2395 PolarHBondContact SG-SG 3.21Å
2374G86.6Confident75.7Confident35 Ų3543.9 Ų43.936%0.36124%0.24SC..  trans80.25.7174.500000115L2369 C2370L2369-G2374 VanDerWaalsContact CD1-O 3.31Å; L2369-G2374 WeakPolarHBondContact CD1-O 3.41Å; C2370-G2374 WeakPolarHBondContact O-CA 3.17Å; C2370-G2374 PolarHBondContact O-N 3.34Å
2375R84.9Confident76.5Confident143 Ų14344.1 Ų44.154%0.5425%0.245SC..  trans-74.6135.5179.8-145.8171.5-163.6172.23111C2370 C2373C2370-R2375 PolarHBondContact N-O 3.09Å; C2373-R2375 VanDerWaalsContact C-N 3.31Å; C2373-R2375 PolarHBondContact O-N 3.12Å
2376L83.9Confident77.4Confident43 Ų4340.4 Ų40.423%0.22523%0.232CC..EExtended strand (participates in β ladder)trans-74.4143.5167.5-86.9167.6000110.6L2352 V2355 F2364 I2368L2352-L2376 HydrophobicContact CD1-CD2 4.49Å; L2352-L2376 HydrophobicContact CD2-CD1 4.07Å; L2352-L2376 HydrophobicContact CD2-CD2 4.23Å; L2352-L2376 HydrophobicContact CD2-CG 4.31Å; V2355-L2376 HydrophobicContact CB-CD1 4.06Å; V2355-L2376 HydrophobicContact CG1-CD1 3.76Å; V2355-L2376 HydrophobicContact CG2-CD1 4.27Å; F2364-L2376 HydrophobicContact CE1-CB 4.06Å; F2364-L2376 HydrophobicContact CE2-CD1 4.17Å; F2364-L2376 HydrophobicContact CZ-CB 3.88Å; F2364-L2376 HydrophobicContact CZ-CD1 4.22Å; I2368-L2376 CarbonylContact O-C 3.39Å; I2368-L2376 VanDerWaalsContact O-CA 3.31Å; I2368-L2376 WeakPolarHBondContact O-CA 3.39Å; I2368-L2376 WeakPolarHBondContact O-CD2 2.99Å
2377L81.8Confident78.2Confident18 Ų1838.9 Ų38.99%0.09423%0.225CC..EExtended strand (participates in β ladder)trans-125.8138.2-178.9-59.4-177.9000110.6F2364 I2368 V2387 V2388 H2391 V2402F2364-L2377 WeakPolarHBondContact CD1-O 3.45Å; F2364-L2377 WeakPolarHBondContact CE1-O 3.49Å; I2368-L2377 HydrophobicContact CB-CB 4.12Å; I2368-L2377 HydrophobicContact CG2-CB 3.94Å; I2368-L2377 HydrophobicContact CG2-CD1 3.92Å; I2368-L2377 HydrophobicContact CG2-CG 4.23Å; I2368-L2377 PolarHBondContact O-N 3.49Å; L2377-V2387 HydrophobicContact CB-CG1 3.79Å; L2377-V2387 HydrophobicContact CD1-CG1 4.4Å; L2377-V2387 HydrophobicContact CD2-CG1 4.05Å; L2377-V2387 HydrophobicContact CG-CG1 4.29Å; L2377-V2388 HydrophobicContact CD1-CG2 4.26Å; L2377-H2391 HydrophobicContact CD1-CB 3.9Å; L2377-H2391 HydrophobicContact CD2-CB 3.92Å; L2377-V2402 HydrophobicContact CD1-CG1 3.95Å
2378C74Confident78.4Confident13 Ų1339 Ų399%0.08823%0.225CC..EExtended strand (participates in β ladder)trans-114.7105-165.4-169.70000114.5F2364 L2380 C2381F2364-C2378 HydrophobicContact CD1-CB 3.85Å; F2364-C2378 HydrophobicContact CE1-CB 3.49Å; F2364-C2378 VanDerWaalsContact CE1-CB 3.49Å; F2364-C2378 HydrophobicContact CZ-CB 4.33Å; C2378-L2380 VanDerWaalsContact C-N 3.28Å; C2378-L2380 PolarHBondContact O-N 3.44Å; C2378-C2381 HydrophobicContact CB-CB 4.44Å; C2378-C2381 PolarHBondContact O-N 3.05Å
2379S68.8Low78.2Confident20 Ų2039.9 Ų39.914%0.1423%0.231CC..THydrogen-bonded Turntrans-62.8-25.9178.962.90000115.6D2366 S2382D2366-S2379 WeakPolarHBondContact CB-OG 3.36Å; D2366-S2379 WeakPolarHBondContact OD2-CB 3.36Å; D2366-S2379 PolarHBondContact OD2-OG 3.24Å; S2379-S2382 CarbonylContact C-O 3.44Å; S2379-S2382 WeakPolarHBondContact CA-O 3.49Å; S2379-S2382 CarbonylContact O-C 3.5Å
2380L66.2Low77.7Confident72 Ų7244.3 Ų44.338%0.37725%0.251SS..THydrogen-bonded Turntrans-78-19.1178.9-76.9173000113.9R2363 Q2365 C2378R2363-L2380 WeakPolarHBondContact O-CD1 3.36Å; Q2365-L2380 HydrophobicContact CB-CD1 4Å; Q2365-L2380 HydrophobicContact CB-CG 4.15Å; Q2365-L2380 HydrophobicContact CG-CD1 3.98Å; Q2365-L2380 HydrophobicContact CG-CG 4.48Å; C2378-L2380 VanDerWaalsContact C-N 3.28Å; C2378-L2380 PolarHBondContact O-N 3.44Å
2381C67.5Low77.5Confident50 Ų5045.1 Ų45.134%0.33826%0.255SS..THydrogen-bonded Turntrans-89.2-29.8177.2-69.50000111.7H2362 C2378H2362-C2381 VanDerWaalsContact CE1-SG 3.54Å; C2378-C2381 HydrophobicContact CB-CB 4.44Å; C2378-C2381 PolarHBondContact O-N 3.05Å
2382S64Low77Confident60 Ų6045.4 Ų45.442%0.4226%0.257SS..SBendtrans-163152.9177.5-74.10000108.9S2379 L2384 V2387S2379-S2382 CarbonylContact C-O 3.44Å; S2379-S2382 WeakPolarHBondContact CA-O 3.49Å; S2379-S2382 CarbonylContact O-C 3.5Å; S2382-L2384 PolarHBondContact O-N 3.33Å; S2382-V2387 VanDerWaalsContact O-CG2 3.31Å; S2382-V2387 WeakPolarHBondContact O-CG2 3.41Å
2383N68.9Low76.4Confident101 Ų10151 Ų5154%0.5428%0.277SS..  trans-49.6129.4-177.5175.1-3.4000111.6A2385 T2386 V2387N2383-A2385 PolarHBondContact O-N 3.34Å; N2383-A2385 PolarHBondContact OD1-N 3.16Å; N2383-T2386 WeakPolarHBondContact O-CA 3.36Å; N2383-T2386 WeakPolarHBondContact O-CB 3.48Å; N2383-T2386 PolarHBondContact O-N 3.45Å; N2383-V2387 PolarHBondContact O-N 3.2Å
2384L66.9Low75.8Confident45 Ų4554.7 Ų54.724%0.23629%0.29CS..Hα-helixtrans-33.8-50.6176.3-158.783.1000113.3D2366 I2368 S2382 V2388D2366-L2384 HydrophobicContact CB-CD1 3.96Å; I2368-L2384 HydrophobicContact CD1-CD1 3.36Å; I2368-L2384 HydrophobicContact CD1-CD2 4.07Å; I2368-L2384 HydrophobicContact CD1-CG 3.6Å; I2368-L2384 HydrophobicContact CG1-CD1 3.96Å; S2382-L2384 PolarHBondContact O-N 3.33Å; L2384-V2388 VanDerWaalsContact O-CG2 3.3Å; L2384-V2388 WeakPolarHBondContact O-CG2 3.38Å; L2384-V2388 PolarHBondContact O-N 2.97Å; L2384-V2388 VanDerWaalsContact O-N 3.08Å
2385A70Confident75.6Confident22 Ų2254.8 Ų54.818%0.18228%0.284CS..Hα-helixtrans-69.1-39.8-176.700000112.8N2383 V2389 V2471N2383-A2385 PolarHBondContact O-N 3.34Å; N2383-A2385 PolarHBondContact OD1-N 3.16Å; A2385-V2389 WeakPolarHBondContact O-CG2 3.43Å; A2385-V2389 PolarHBondContact O-N 3.4Å; A2385-V2471 HydrophobicContact CB-CB 4.36Å; A2385-V2471 HydrophobicContact CB-CG1 3.68Å; A2385-V2471 HydrophobicContact CB-CG2 3.83Å
2386T74.2Confident74.7Confident57 Ų5748.9 Ų48.935%0.3527%0.268SS..Hα-helixtrans-65.1-49.4176.6-470000110.6N2383 V2388 V2389 E2390N2383-T2386 WeakPolarHBondContact O-CA 3.36Å; N2383-T2386 WeakPolarHBondContact O-CB 3.48Å; N2383-T2386 PolarHBondContact O-N 3.45Å; T2386-V2388 VanDerWaalsContact C-N 3.31Å; T2386-V2388 PolarHBondContact O-N 2.98Å; T2386-V2389 PolarHBondContact O-N 3.35Å; T2386-V2389 VanDerWaalsContact O-N 3.1Å; T2386-E2390 PolarHBondContact O-N 3.39Å
2387V78.4Confident73.8Confident23 Ų2349.8 Ų49.814%0.13929%0.287CS..Hα-helixtrans-60.8-40.2179.8-177.70000111.3L2377 S2382 N2383 H2391L2377-V2387 HydrophobicContact CB-CG1 3.79Å; L2377-V2387 HydrophobicContact CD1-CG1 4.4Å; L2377-V2387 HydrophobicContact CD2-CG1 4.05Å; L2377-V2387 HydrophobicContact CG-CG1 4.29Å; S2382-V2387 VanDerWaalsContact O-CG2 3.31Å; S2382-V2387 WeakPolarHBondContact O-CG2 3.41Å; N2383-V2387 PolarHBondContact O-N 3.2Å; V2387-H2391 WeakPolarHBondContact O-CB 3.4Å; V2387-H2391 PolarHBondContact O-N 3.06Å
2388V78.3Confident73.5Confident3 Ų353.6 Ų53.62%0.01830%0.303CS..Hα-helixtrans-63.3-46.8174.2168.90000111I2368 L2377 L2384 T2386 H2391 T2392 V2402 I2418I2368-V2388 HydrophobicContact CD1-CG2 4.18Å; L2377-V2388 HydrophobicContact CD1-CG2 4.26Å; L2384-V2388 VanDerWaalsContact O-CG2 3.3Å; L2384-V2388 WeakPolarHBondContact O-CG2 3.38Å; L2384-V2388 PolarHBondContact O-N 2.97Å; L2384-V2388 VanDerWaalsContact O-N 3.08Å; T2386-V2388 VanDerWaalsContact C-N 3.31Å; T2386-V2388 PolarHBondContact O-N 2.98Å; V2388-H2391 PolarHBondContact O-N 3.32Å; V2388-T2392 WeakPolarHBondContact O-CB 3.27Å; V2388-T2392 PolarHBondContact O-N 3.21Å; V2388-T2392 PolarHBondContact O-OG1 2.8Å; V2388-V2402 HydrophobicContact CG1-CG2 3.7Å; V2388-V2402 HydrophobicContact CG2-CG1 4.45Å; V2388-V2402 HydrophobicContact CG2-CG2 3.97Å; V2388-I2418 HydrophobicContact CB-CD1 4.3Å; V2388-I2418 HydrophobicContact CG1-CD1 3.87Å
2389V79Confident73.9Confident23 Ų2353.2 Ų53.214%0.13930%0.301CS..Hα-helixtrans-64.8-46-178.5169.90000112.1A2385 T2386 T2392 Y2393 V2471A2385-V2389 WeakPolarHBondContact O-CG2 3.43Å; A2385-V2389 PolarHBondContact O-N 3.4Å; T2386-V2389 PolarHBondContact O-N 3.35Å; T2386-V2389 VanDerWaalsContact O-N 3.1Å; V2389-T2392 WeakPolarHBondContact O-CB 3.25Å; V2389-T2392 PolarHBondContact O-N 3.4Å; V2389-Y2393 PolarHBondContact O-N 3.39Å; V2389-Y2393 VanDerWaalsContact O-N 3.16Å; V2389-V2471 HydrophobicContact CG2-CB 3.96Å; V2389-V2471 HydrophobicContact CG2-CG1 4.18Å; V2389-V2471 HydrophobicContact CG2-CG2 3.64Å
2390E80.1Confident74.7Confident107 Ų10752.4 Ų52.450%0.530%0.296SS..Hα-helixtrans-59.5-46.9174.2-70.9-178.9128.900111.4T2386 T2392 Y2393 M2394T2386-E2390 PolarHBondContact O-N 3.39Å; E2390-T2392 VanDerWaalsContact C-N 3.26Å; E2390-T2392 PolarHBondContact O-N 3.5Å; E2390-Y2393 WeakPolarHBondContact O-CB 3.48Å; E2390-Y2393 PolarHBondContact O-N 3.43Å; E2390-Y2393 VanDerWaalsContact O-N 3.17Å; E2390-M2394 PolarHBondContact O-N 3.39Å
2391H85.1Confident75.9Confident20 Ų2049 Ų499%0.09328%0.278CS..Hα-helixtrans-61.6-36.4176.6-174.169.4000112C2370 C2373 L2377 V2387 V2388 Y2393 M2394 C2395C2370-H2391 WeakPolarHBondContact CB-NE2 3.44Å; C2370-H2391 PolarHBondContact SG-NE2 3.27Å; C2373-H2391 PolarHBondContact SG-CE1 3.02Å; C2373-H2391 PolarHBondContact SG-NE2 3.48Å; L2377-H2391 HydrophobicContact CD1-CB 3.9Å; L2377-H2391 HydrophobicContact CD2-CB 3.92Å; V2387-H2391 WeakPolarHBondContact O-CB 3.4Å; V2387-H2391 PolarHBondContact O-N 3.06Å; V2388-H2391 PolarHBondContact O-N 3.32Å; H2391-Y2393 VanDerWaalsContact C-N 3.29Å; H2391-Y2393 PolarHBondContact O-N 3.41Å; H2391-M2394 PolarHBondContact O-N 3.48Å; H2391-C2395 WeakPolarHBondContact NE2-CB 3.06Å; H2391-C2395 WeakPolarHBondContact O-CB 3.32Å; H2391-C2395 PolarHBondContact O-N 3.24Å
2392T80.9Confident77Confident5 Ų546.8 Ų46.83%0.03126%0.263CS..Hα-helixtrans-62.2-38.4177.2-45.60000111.9V2388 V2389 E2390 M2394 G2396 G2397 G2400 S2413V2388-T2392 WeakPolarHBondContact O-CB 3.27Å; V2388-T2392 PolarHBondContact O-N 3.21Å; V2388-T2392 PolarHBondContact O-OG1 2.8Å; V2389-T2392 WeakPolarHBondContact O-CB 3.25Å; V2389-T2392 PolarHBondContact O-N 3.4Å; E2390-T2392 VanDerWaalsContact C-N 3.26Å; E2390-T2392 PolarHBondContact O-N 3.5Å; T2392-M2394 VanDerWaalsContact C-N 3.34Å; T2392-G2396 PolarHBondContact O-N 3.33Å; T2392-G2397 PolarHBondContact O-N 3Å; T2392-G2400 VanDerWaalsContact CG2-N 3.32Å; T2392-S2413 WeakPolarHBondContact CG2-OG 3.42Å; T2392-S2413 PolarHBondContact OG1-OG 3.48Å
2393Y76.9Confident78.3Confident148 Ų14843.9 Ų43.958%0.5824%0.243SC*.Hα-helixtrans-61.2-42.3177-117.4-80000111.8V2389 E2390 H2391 F2398V2389-Y2393 PolarHBondContact O-N 3.39Å; V2389-Y2393 VanDerWaalsContact O-N 3.16Å; E2390-Y2393 WeakPolarHBondContact O-CB 3.48Å; E2390-Y2393 PolarHBondContact O-N 3.43Å; E2390-Y2393 VanDerWaalsContact O-N 3.17Å; H2391-Y2393 VanDerWaalsContact C-N 3.29Å; H2391-Y2393 PolarHBondContact O-N 3.41Å; Y2393-F2398 HydrophobicContact CD1-CE1 4.49Å; Y2393-F2398 HydrophobicContact CD1-CZ 4.21Å; Y2393-F2398 HydrophobicContact CD2-CE1 4.35Å; Y2393-F2398 AromaticContact CE1-CE1 3.77Å; Y2393-F2398 HydrophobicContact CE1-CE1 3.77Å; Y2393-F2398 HydrophobicContact CE1-CE2 4.1Å; Y2393-F2398 AromaticContact CE1-CZ 3.42Å; Y2393-F2398 HydrophobicContact CE1-CZ 3.42Å; Y2393-F2398 VanDerWaalsContact CE1-CZ 3.42Å; Y2393-F2398 HydrophobicContact CE2-CD1 4.18Å; Y2393-F2398 AromaticContact CE2-CE1 3.6Å; Y2393-F2398 HydrophobicContact CE2-CE1 3.6Å; Y2393-F2398 HydrophobicContact CE2-CZ 4.16Å; Y2393-F2398 AromaticContact CZ-CE1 3.28Å; Y2393-F2398 AromaticContact CZ-CZ 3.4Å; Y2393-F2398 VanDerWaalsContact CZ-CZ 3.4Å; Y2393-F2398 WeakPolarHBondContact OH-CE1 3.44Å; Y2393-F2398 WeakPolarHBondContact OH-CZ 3.36Å
2394M75.9Confident79.2Confident141 Ų14139.7 Ų39.770%0.69522%0.22SC*.Hα-helixtrans-80.1-33.1180-67.2-60.9-63.500114.1E2390 H2391 T2392E2390-M2394 PolarHBondContact O-N 3.39Å; H2391-M2394 PolarHBondContact O-N 3.48Å; T2392-M2394 VanDerWaalsContact C-N 3.34Å
2395C81.8Confident79.9Confident37 Ų3737.6 Ų37.625%0.2521%0.209CC..Hα-helixtrans-103.7-40.2-165.21790000114.3C2373 H2391C2373-C2395 VanDerWaalsContact CB-SG 3.51Å; C2373-C2395 PolarHBondContact SG-SG 3.21Å; H2391-C2395 WeakPolarHBondContact NE2-CB 3.06Å; H2391-C2395 WeakPolarHBondContact O-CB 3.32Å; H2391-C2395 PolarHBondContact O-N 3.24Å
2396G65.4Low80.2Confident19 Ų1937.4 Ų37.420%0.19621%0.205CC..SBendtrans-127.612.5-161.300000115T2392 F2398 S2399T2392-G2396 PolarHBondContact O-N 3.33Å; G2396-F2398 PolarHBondContact O-N 3.46Å; G2396-S2399 CarbonylContact C-O 3.56Å; G2396-S2399 WeakPolarHBondContact CA-O 3.43Å; G2396-S2399 PolarHBondContact O-N 2.75Å
2397G66Low80.5Confident61 Ų6135.5 Ų35.563%0.62919%0.193SC*.THydrogen-bonded Turntrans5652.1177.500000112.7T2392 S2399T2392-G2397 PolarHBondContact O-N 3Å; G2397-S2399 PolarHBondContact O-N 3.05Å
2398F74.3Confident80.9Confident99 Ų9934.4 Ų34.443%0.43419%0.187SC..THydrogen-bonded Turntrans69.7-4.8-172.3-58.7-103000116.7Y2393 G2396 L2414 G2415Y2393-F2398 HydrophobicContact CD1-CE1 4.49Å; Y2393-F2398 HydrophobicContact CD1-CZ 4.21Å; Y2393-F2398 HydrophobicContact CD2-CE1 4.35Å; Y2393-F2398 AromaticContact CE1-CE1 3.77Å; Y2393-F2398 HydrophobicContact CE1-CE1 3.77Å; Y2393-F2398 HydrophobicContact CE1-CE2 4.1Å; Y2393-F2398 AromaticContact CE1-CZ 3.42Å; Y2393-F2398 HydrophobicContact CE1-CZ 3.42Å; Y2393-F2398 VanDerWaalsContact CE1-CZ 3.42Å; Y2393-F2398 HydrophobicContact CE2-CD1 4.18Å; Y2393-F2398 AromaticContact CE2-CE1 3.6Å; Y2393-F2398 HydrophobicContact CE2-CE1 3.6Å; Y2393-F2398 HydrophobicContact CE2-CZ 4.16Å; Y2393-F2398 AromaticContact CZ-CE1 3.28Å; Y2393-F2398 AromaticContact CZ-CZ 3.4Å; Y2393-F2398 VanDerWaalsContact CZ-CZ 3.4Å; Y2393-F2398 WeakPolarHBondContact OH-CE1 3.44Å; Y2393-F2398 WeakPolarHBondContact OH-CZ 3.36Å; G2396-F2398 PolarHBondContact O-N 3.46Å; F2398-L2414 CarbonylContact O-C 3.56Å; F2398-L2414 WeakPolarHBondContact O-CA 3.03Å; F2398-G2415 PolarHBondContact O-N 2.92Å
2399S83.1Confident81.5Confident4 Ų435.2 Ų35.23%0.02819%0.191CC..EExtended strand (participates in β ladder)trans-113.4122.1172.3-167.20000111.9I2372 G2396 G2397 S2413I2372-S2399 VanDerWaalsContact CD1-O 3.24Å; I2372-S2399 WeakPolarHBondContact CD1-O 3.3Å; G2396-S2399 CarbonylContact C-O 3.56Å; G2396-S2399 WeakPolarHBondContact CA-O 3.43Å; G2396-S2399 PolarHBondContact O-N 2.75Å; G2397-S2399 PolarHBondContact O-N 3.05Å; S2399-S2413 WeakPolarHBondContact CA-O 3.41Å
2400G85.7Confident82.1Confident4 Ų434.1 Ų34.14%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-122.2148.9-174.800000112.8T2392 V2412 S2413T2392-G2400 VanDerWaalsContact CG2-N 3.32Å; G2400-V2412 CarbonylContact O-C 3.46Å; G2400-V2412 WeakPolarHBondContact O-CA 3.34Å; G2400-V2412 WeakPolarHBondContact O-CB 3.38Å; G2400-S2413 VanDerWaalsContact CA-OG 3.22Å; G2400-S2413 WeakPolarHBondContact CA-OG 3.48Å; G2400-S2413 PolarHBondContact N-O 3.22Å; G2400-S2413 PolarHBondContact N-OG 3.03Å; G2400-S2413 PolarHBondContact O-N 3.09Å
2401V91.7Very high82.5Confident0 Ų030.7 Ų30.70%017%0.167CC..EExtended strand (participates in β ladder)trans-135.3117.6172.6-170.10000107.6L2338 L2371 I2372 V2410 V2412 L2452 W2456 F2461L2338-V2401 HydrophobicContact CD1-CG1 4.12Å; L2338-V2401 HydrophobicContact CD1-CG2 4.42Å; L2338-V2401 HydrophobicContact CD2-CB 4.08Å; L2338-V2401 HydrophobicContact CD2-CG1 4.47Å; L2338-V2401 HydrophobicContact CD2-CG2 4.02Å; L2371-V2401 HydrophobicContact CB-CB 4.34Å; L2371-V2401 HydrophobicContact CB-CG1 4.12Å; L2371-V2401 HydrophobicContact CD1-CG1 4.01Å; L2371-V2401 HydrophobicContact CG-CG1 4.43Å; L2371-V2401 PolarHBondContact N-O 3.05Å; I2372-V2401 HydrophobicContact CD1-CG2 4.47Å; I2372-V2401 HydrophobicContact CG1-CB 4.37Å; V2401-V2410 HydrophobicContact CG1-CG1 3.92Å; V2401-V2412 HydrophobicContact CB-CG1 4.49Å; V2401-V2412 HydrophobicContact CG1-CG1 4.18Å; V2401-V2412 HydrophobicContact CG2-CG1 4.21Å; V2401-L2452 HydrophobicContact CG1-CD1 4.05Å; V2401-L2452 HydrophobicContact CG1-CD2 3.82Å; V2401-L2452 HydrophobicContact CG1-CG 4.13Å; V2401-W2456 HydrophobicContact CG2-CB 4.33Å; V2401-W2456 HydrophobicContact CG2-CG 4.04Å; V2401-F2461 HydrophobicContact CG2-CE2 4Å; V2401-F2461 HydrophobicContact CG2-CZ 4.06Å
2402V90.6Very high82.8Confident3 Ų329.8 Ų29.82%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-138.1133-171.9-96.20000110.3I2368 L2369 C2370 L2377 V2388 V2410 Y2411I2368-V2402 HydrophobicContact CG2-CB 3.84Å; I2368-V2402 HydrophobicContact CG2-CG1 3.66Å; L2369-V2402 CarbonylContact O-C 3.54Å; L2369-V2402 WeakPolarHBondContact O-CA 3.34Å; C2370-V2402 HydrophobicContact CB-CG1 4.03Å; L2377-V2402 HydrophobicContact CD1-CG1 3.95Å; V2388-V2402 HydrophobicContact CG1-CG2 3.7Å; V2388-V2402 HydrophobicContact CG2-CG1 4.45Å; V2388-V2402 HydrophobicContact CG2-CG2 3.97Å; V2402-V2410 CarbonylContact O-C 3.59Å; V2402-V2410 WeakPolarHBondContact O-CA 3.33Å; V2402-Y2411 WeakPolarHBondContact CG2-O 3.41Å; V2402-Y2411 PolarHBondContact N-O 3.43Å; V2402-Y2411 PolarHBondContact O-N 3.3Å
2403L90.9Very high83.1Confident0 Ų029.5 Ų29.50%016%0.161CC..EExtended strand (participates in β ladder)trans-104.8120.4179.7172.860.7000109.9T2341 F2345 L2348 I2368 L2369 L2371 V2405 V2410 Y2425T2341-L2403 HydrophobicContact CG2-CD2 4.38Å; F2345-L2403 HydrophobicContact CE2-CD1 4.48Å; F2345-L2403 HydrophobicContact CE2-CD2 4.45Å; L2348-L2403 HydrophobicContact CD2-CD2 3.58Å; I2368-L2403 WeakPolarHBondContact CA-O 3.31Å; L2369-L2403 PolarHBondContact N-O 3.45Å; L2369-L2403 PolarHBondContact O-N 3.09Å; L2371-L2403 HydrophobicContact CD1-CB 4.28Å; L2371-L2403 HydrophobicContact CD2-CB 4.1Å; L2371-L2403 HydrophobicContact CD2-CD2 4.44Å; L2371-L2403 HydrophobicContact CG-CB 4.18Å; L2403-V2405 HydrophobicContact CG-CG2 4.31Å; L2403-V2405 PolarHBondContact O-N 2.68Å; L2403-V2410 HydrophobicContact CD1-CG2 3.95Å; L2403-Y2425 HydrophobicContact CD2-CE2 4Å
2404E87.1Confident83.4Confident13 Ų1324.1 Ų24.16%0.06114%0.142CC..EExtended strand (participates in β ladder)trans-83.8103.8168.9-175.5-175.2-151.400109.7I2368 N2406 T2407 S2408 I2409 Y2411I2368-E2404 HydrophobicContact CG1-CB 4.1Å; I2368-E2404 HydrophobicContact CG1-CG 4.27Å; E2404-N2406 PolarHBondContact O-N 2.69Å; E2404-T2407 WeakPolarHBondContact CB-OG1 3.29Å; E2404-T2407 VanDerWaalsContact CD-CG2 3.45Å; E2404-T2407 VanDerWaalsContact CD-OG1 3.23Å; E2404-T2407 HydrophobicContact CG-CG2 4.18Å; E2404-T2407 WeakPolarHBondContact CG-OG1 3.49Å; E2404-T2407 PolarHBondContact O-N 2.78Å; E2404-T2407 PolarHBondContact O-OG1 2.67Å; E2404-T2407 WeakPolarHBondContact OE2-CB 3.41Å; E2404-T2407 WeakPolarHBondContact OE2-CG2 3.16Å; E2404-T2407 PolarHBondContact OE2-OG1 3.44Å; E2404-S2408 WeakPolarHBondContact O-CA 3.37Å; E2404-S2408 PolarHBondContact O-N 2.92Å; E2404-I2409 PolarHBondContact N-O 3.05Å; E2404-I2409 PolarHBondContact O-N 3.26Å; E2404-Y2411 HydrophobicContact CB-CD2 4.32Å; E2404-Y2411 HydrophobicContact CB-CE2 3.89Å; E2404-Y2411 PolarHBondContact OE2-OH 3.23Å
2405V83.4Confident83.6Confident0 Ų018.1 Ų18.10%012%0.116CC..THydrogen-bonded Turntrans-70.7-21.4-172.4-178.90000111.8F2345 L2348 F2349 L2352 N2367 L2369 L2403 T2407F2345-V2405 WeakPolarHBondContact CE1-O 3.47Å; F2345-V2405 HydrophobicContact CZ-CG1 4.32Å; F2345-V2405 WeakPolarHBondContact CZ-O 3.46Å; L2348-V2405 HydrophobicContact CD2-CG2 4.13Å; L2348-V2405 HydrophobicContact CG-CG1 4.39Å; L2348-V2405 HydrophobicContact CG-CG2 4.4Å; F2349-V2405 HydrophobicContact CB-CG1 4.22Å; F2349-V2405 HydrophobicContact CD2-CG1 4.13Å; F2349-V2405 WeakPolarHBondContact CD2-O 3.16Å; L2352-V2405 HydrophobicContact CD1-CG1 4.44Å; L2352-V2405 HydrophobicContact CD1-CG2 3.81Å; N2367-V2405 HydrophobicContact CB-CB 3.85Å; N2367-V2405 HydrophobicContact CB-CG2 4.46Å; N2367-V2405 WeakPolarHBondContact O-CB 3.49Å; N2367-V2405 WeakPolarHBondContact O-CG2 3.41Å; N2367-V2405 PolarHBondContact O-N 2.61Å; L2369-V2405 HydrophobicContact CB-CG2 4.34Å; L2403-V2405 HydrophobicContact CG-CG2 4.31Å; L2403-V2405 PolarHBondContact O-N 2.68Å; V2405-T2407 VanDerWaalsContact C-N 3.34Å
2406N76.1Confident83.5Confident18 Ų1819.4 Ų19.410%0.09613%0.126CC..THydrogen-bonded Turntrans-83.5-6.9177.1-65.5-9.5000113.6Q2365 N2367 E2404 L2436Q2365-N2406 PolarHBondContact O-ND2 2.82Å; N2367-N2406 PolarHBondContact N-ND2 3.05Å; N2367-N2406 PolarHBondContact ND2-ND2 2.8Å; N2367-N2406 PolarHBondContact ND2-OD1 2.94Å; E2404-N2406 PolarHBondContact O-N 2.69Å; N2406-L2436 WeakPolarHBondContact O-CD1 3.35Å
2407T80Confident84.2Confident18 Ų1820.8 Ų20.811%0.1113%0.128CC..THydrogen-bonded Turntrans-130.3-11.2177.764.50000114.4E2404 V2405 I2409 E2435E2404-T2407 WeakPolarHBondContact CB-OG1 3.29Å; E2404-T2407 VanDerWaalsContact CD-CG2 3.45Å; E2404-T2407 VanDerWaalsContact CD-OG1 3.23Å; E2404-T2407 HydrophobicContact CG-CG2 4.18Å; E2404-T2407 WeakPolarHBondContact CG-OG1 3.49Å; E2404-T2407 PolarHBondContact O-N 2.78Å; E2404-T2407 PolarHBondContact O-OG1 2.67Å; E2404-T2407 WeakPolarHBondContact OE2-CB 3.41Å; E2404-T2407 WeakPolarHBondContact OE2-CG2 3.16Å; E2404-T2407 PolarHBondContact OE2-OG1 3.44Å; V2405-T2407 VanDerWaalsContact C-N 3.34Å; T2407-I2409 PolarHBondContact O-N 3.24Å; T2407-I2409 WeakPolarHBondContact OG1-CB 3.38Å; T2407-I2409 WeakPolarHBondContact OG1-CG1 3.46Å; T2407-I2409 PolarHBondContact OG1-N 2.94Å; T2407-I2409 VanDerWaalsContact OG1-N 3.17Å; T2407-E2435 HydrophobicContact CG2-CG 4.33Å; T2407-E2435 PolarHBondContact O-N 3.35Å
2408S87.5Confident85.2Confident0 Ų018.7 Ų18.70%010%0.103CC..THydrogen-bonded Turntrans655.6-165.979.40000115.9E2404 S2423 D2433E2404-S2408 WeakPolarHBondContact O-CA 3.37Å; E2404-S2408 PolarHBondContact O-N 2.92Å; S2408-S2423 VanDerWaalsContact O-CB 3.22Å; S2408-S2423 WeakPolarHBondContact O-CB 3.45Å; S2408-S2423 PolarHBondContact O-OG 3.45Å; S2408-S2423 PolarHBondContact OG-OG 2.98Å; S2408-D2433 PolarHBondContact OG-O 3.05Å
2409I89.5Confident85.7Confident20 Ų2014 Ų1410%0.1038%0.082CC..EExtended strand (participates in β ladder)trans-76.1128.3-176.4-61.4169.7000110.3E2404 T2407 Y2411 L2434 E2435E2404-I2409 PolarHBondContact N-O 3.05Å; E2404-I2409 PolarHBondContact O-N 3.26Å; T2407-I2409 PolarHBondContact O-N 3.24Å; T2407-I2409 WeakPolarHBondContact OG1-CB 3.38Å; T2407-I2409 WeakPolarHBondContact OG1-CG1 3.46Å; T2407-I2409 PolarHBondContact OG1-N 2.94Å; T2407-I2409 VanDerWaalsContact OG1-N 3.17Å; I2409-Y2411 HydrophobicContact CB-CE2 4.16Å; I2409-Y2411 HydrophobicContact CG2-CD1 4.14Å; I2409-Y2411 HydrophobicContact CG2-CD2 4.2Å; I2409-Y2411 HydrophobicContact CG2-CE1 3.78Å; I2409-Y2411 HydrophobicContact CG2-CE2 3.85Å; I2409-Y2411 HydrophobicContact CG2-CG 4.34Å; I2409-L2434 HydrophobicContact CG1-CB 4.47Å; I2409-L2434 HydrophobicContact CG1-CD2 4.23Å; I2409-E2435 HydrophobicContact CD1-CG 4.43Å
2410V91.5Very high85.8Confident0 Ų016.4 Ų16.40%010%0.095CC..EExtended strand (participates in β ladder)trans-86.8120.7163.5177.70000108.4V2401 V2402 L2403 V2412 W2421 G2422 V2424 L2452V2401-V2410 HydrophobicContact CG1-CG1 3.92Å; V2402-V2410 CarbonylContact O-C 3.59Å; V2402-V2410 WeakPolarHBondContact O-CA 3.33Å; L2403-V2410 HydrophobicContact CD1-CG2 3.95Å; V2410-V2412 HydrophobicContact CG1-CG1 4.31Å; V2410-W2421 HydrophobicContact CB-CB 4.28Å; V2410-W2421 HydrophobicContact CG1-CB 4.2Å; V2410-W2421 WeakPolarHBondContact O-CB 3.37Å; V2410-W2421 PolarHBondContact O-N 3.22Å; V2410-G2422 PolarHBondContact N-O 2.86Å; V2410-V2424 HydrophobicContact CG2-CG1 4.28Å; V2410-V2424 HydrophobicContact CG2-CG2 4.11Å; V2410-L2452 HydrophobicContact CG1-CD1 4.05Å; V2410-L2452 HydrophobicContact CG1-CD2 3.98Å; V2410-L2452 HydrophobicContact CG2-CD2 4.45Å
2411Y89.2Confident85.9Confident35 Ų3517.3 Ų17.314%0.13710%0.097CC..EExtended strand (participates in β ladder)trans-96.6143.8165.4-61.8-75.5000109.6V2402 E2404 I2409 I2418 C2419 D2420V2402-Y2411 WeakPolarHBondContact CG2-O 3.41Å; V2402-Y2411 PolarHBondContact N-O 3.43Å; V2402-Y2411 PolarHBondContact O-N 3.3Å; E2404-Y2411 HydrophobicContact CB-CD2 4.32Å; E2404-Y2411 HydrophobicContact CB-CE2 3.89Å; E2404-Y2411 PolarHBondContact OE2-OH 3.23Å; I2409-Y2411 HydrophobicContact CB-CE2 4.16Å; I2409-Y2411 HydrophobicContact CG2-CD1 4.14Å; I2409-Y2411 HydrophobicContact CG2-CD2 4.2Å; I2409-Y2411 HydrophobicContact CG2-CE1 3.78Å; I2409-Y2411 HydrophobicContact CG2-CE2 3.85Å; I2409-Y2411 HydrophobicContact CG2-CG 4.34Å; Y2411-I2418 HydrophobicContact CD1-CD1 4.5Å; Y2411-I2418 HydrophobicContact CG-CD1 4.33Å; Y2411-C2419 WeakPolarHBondContact CA-O 3.4Å; Y2411-D2420 HydrophobicContact CD1-CB 4.46Å; Y2411-D2420 HydrophobicContact CE1-CB 4.34Å; Y2411-D2420 WeakPolarHBondContact CE1-OD1 3.19Å
2412V90.6Very high85.7Confident0 Ų017.8 Ų17.80%010%0.102CC..EExtended strand (participates in β ladder)trans-123.2139.5169.7-650000110.6G2400 V2401 V2410 I2418 C2419 W2421 L2452 F2461 L2465 W2468G2400-V2412 CarbonylContact O-C 3.46Å; G2400-V2412 WeakPolarHBondContact O-CA 3.34Å; G2400-V2412 WeakPolarHBondContact O-CB 3.38Å; V2401-V2412 HydrophobicContact CB-CG1 4.49Å; V2401-V2412 HydrophobicContact CG1-CG1 4.18Å; V2401-V2412 HydrophobicContact CG2-CG1 4.21Å; V2410-V2412 HydrophobicContact CG1-CG1 4.31Å; V2412-I2418 CarbonylContact O-C 3.58Å; V2412-I2418 WeakPolarHBondContact O-CA 3.49Å; V2412-C2419 HydrophobicContact CG2-CB 4.23Å; V2412-C2419 PolarHBondContact N-O 2.91Å; V2412-C2419 PolarHBondContact O-N 2.9Å; V2412-W2421 HydrophobicContact CG1-CB 4.41Å; V2412-L2452 HydrophobicContact CG1-CD1 4.11Å; V2412-F2461 HydrophobicContact CB-CD2 4.32Å; V2412-F2461 HydrophobicContact CB-CE2 4.22Å; V2412-F2461 HydrophobicContact CB-CZ 4.44Å; V2412-F2461 HydrophobicContact CG1-CD2 4.46Å; V2412-F2461 HydrophobicContact CG1-CE1 4.04Å; V2412-F2461 HydrophobicContact CG1-CE2 3.94Å; V2412-F2461 HydrophobicContact CG1-CZ 3.72Å; V2412-F2461 HydrophobicContact CG2-CD1 4.45Å; V2412-F2461 HydrophobicContact CG2-CG 4.38Å; V2412-L2465 HydrophobicContact CG2-CD1 3.28Å; V2412-W2468 HydrophobicContact CG2-CH2 3.81Å; V2412-W2468 HydrophobicContact CG2-CZ3 4.36Å; V2412-W2468 WeakPolarHBondContact O-CZ3 3Å
2413S87.3Confident85.7Confident0 Ų017.7 Ų17.70%010%0.101CC..EExtended strand (participates in β ladder)trans-114.8147.5179.355.90000112.2T2392 S2399 G2400 N2417T2392-S2413 WeakPolarHBondContact CG2-OG 3.42Å; T2392-S2413 PolarHBondContact OG1-OG 3.48Å; S2399-S2413 WeakPolarHBondContact CA-O 3.41Å; G2400-S2413 VanDerWaalsContact CA-OG 3.22Å; G2400-S2413 WeakPolarHBondContact CA-OG 3.48Å; G2400-S2413 PolarHBondContact N-O 3.22Å; G2400-S2413 PolarHBondContact N-OG 3.03Å; G2400-S2413 PolarHBondContact O-N 3.09Å; S2413-N2417 CarbonylContact C-O 3.53Å; S2413-N2417 WeakPolarHBondContact CA-O 3.27Å
2414L84.4Confident85.7Confident34 Ų3417.7 Ų17.718%0.17810%0.101CC..EExtended strand (participates in β ladder)trans-138.790.8173.5-101.5169.1000108.9F2398 N2417 F2461 R2462 W2468F2398-L2414 CarbonylContact O-C 3.56Å; F2398-L2414 WeakPolarHBondContact O-CA 3.03Å; L2414-N2417 PolarHBondContact N-O 3.5Å; L2414-N2417 PolarHBondContact O-N 2.79Å; L2414-N2417 PolarHBondContact O-ND2 3.44Å; L2414-N2417 VanDerWaalsContact O-ND2 3.1Å; L2414-F2461 HydrophobicContact CD1-CB 4.31Å; L2414-R2462 HydrophobicContact CD1-CB 3.97Å; L2414-R2462 HydrophobicContact CD1-CG 4.44Å; L2414-W2468 HydrophobicContact CB-CE3 4.5Å; L2414-W2468 HydrophobicContact CB-CH2 4.1Å; L2414-W2468 HydrophobicContact CB-CZ3 3.86Å; L2414-W2468 HydrophobicContact CD1-CH2 3.78Å; L2414-W2468 HydrophobicContact CD1-CZ2 4.05Å; L2414-W2468 HydrophobicContact CD1-CZ3 4.38Å; L2414-W2468 HydrophobicContact CG-CH2 4.23Å; L2414-W2468 HydrophobicContact CG-CZ3 4.48Å
2415G79.9Confident85.8Confident15 Ų1517 Ų1716%0.15510%0.098CC..SBendtrans60.4-135.9-164.900000111.3F2398 N2417F2398-G2415 PolarHBondContact O-N 2.92Å; G2415-N2417 PolarHBondContact O-N 2.98Å
2416S79.3Confident86Confident65 Ų6517.5 Ų17.546%0.45510%0.101SC..SBendtrans-74.723.6176.368.20000114.3V2471S2416-V2471 PolarHBondContact O-N 3.21Å
2417N81Confident86.2Confident47 Ų4717 Ų1725%0.25110%0.098SC..EExtended strand (participates in β ladder)trans-122.4139.1177.6-51.3-95.5000109.2S2413 L2414 G2415 W2468 R2469S2413-N2417 CarbonylContact C-O 3.53Å; S2413-N2417 WeakPolarHBondContact CA-O 3.27Å; L2414-N2417 PolarHBondContact N-O 3.5Å; L2414-N2417 PolarHBondContact O-N 2.79Å; L2414-N2417 PolarHBondContact O-ND2 3.44Å; L2414-N2417 VanDerWaalsContact O-ND2 3.1Å; G2415-N2417 PolarHBondContact O-N 2.98Å; N2417-W2468 HydrophobicContact CB-CE3 4.02Å; N2417-R2469 CarbonylContact C-O 3.6Å; N2417-R2469 WeakPolarHBondContact CA-O 3.48Å
2418I85.5Confident86Confident18 Ų1821.4 Ų21.49%0.09212%0.117CC..EExtended strand (participates in β ladder)trans-128.9142.5179.6-161.5169.7000110.3V2388 Y2411 V2412 R2469 V2471V2388-I2418 HydrophobicContact CB-CD1 4.3Å; V2388-I2418 HydrophobicContact CG1-CD1 3.87Å; Y2411-I2418 HydrophobicContact CD1-CD1 4.5Å; Y2411-I2418 HydrophobicContact CG-CD1 4.33Å; V2412-I2418 CarbonylContact O-C 3.58Å; V2412-I2418 WeakPolarHBondContact O-CA 3.49Å; I2418-R2469 HydrophobicContact CG2-CB 4.32Å; I2418-R2469 PolarHBondContact N-O 3.4Å; I2418-R2469 PolarHBondContact O-N 3.03Å; I2418-V2471 HydrophobicContact CB-CG2 4.31Å; I2418-V2471 HydrophobicContact CG2-CG2 3.97Å
2419C84.8Confident85.3Confident1 Ų123.9 Ų23.91%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-134.7141.9179.8-170.80000110.7Y2411 V2412 W2421 L2465 N2467 W2468Y2411-C2419 WeakPolarHBondContact CA-O 3.4Å; V2412-C2419 HydrophobicContact CG2-CB 4.23Å; V2412-C2419 PolarHBondContact N-O 2.91Å; V2412-C2419 PolarHBondContact O-N 2.9Å; C2419-W2421 PolarHBondContact O-N 2.96Å; C2419-L2465 HydrophobicContact CB-CD1 4.04Å; C2419-N2467 PolarHBondContact SG-O 3.41Å; C2419-W2468 HydrophobicContact CB-CD2 3.72Å; C2419-W2468 HydrophobicContact CB-CE3 3.58Å; C2419-W2468 HydrophobicContact CB-CG 4.32Å; C2419-W2468 HydrophobicContact CB-CH2 4.05Å; C2419-W2468 HydrophobicContact CB-CZ2 4.18Å; C2419-W2468 HydrophobicContact CB-CZ3 3.75Å
2420D85.9Confident84.6Confident53 Ų5323.7 Ų23.728%0.28313%0.13SC..EExtended strand (participates in β ladder)trans-77.7115.1172.8-22.2-49000107.9Y2411 R2469Y2411-D2420 HydrophobicContact CD1-CB 4.46Å; Y2411-D2420 HydrophobicContact CE1-CB 4.34Å; Y2411-D2420 WeakPolarHBondContact CE1-OD1 3.19Å; D2420-R2469 VanDerWaalsContact CG-NH2 3.26Å; D2420-R2469 IonicContact OD1-CZ 2.58Å; D2420-R2469 IonicContact OD1-NE 3.32Å; D2420-R2469 PolarHBondContact OD1-NE 2.96Å; D2420-R2469 IonicContact OD1-NH2 3.34Å; D2420-R2469 PolarHBondContact OD1-NH2 3.19Å; D2420-R2469 IonicContact OD2-CZ 3.15Å; D2420-R2469 IonicContact OD2-NE 2.77Å; D2420-R2469 IonicContact OD2-NH2 2.94Å; D2420-R2469 PolarHBondContact OD2-NH2 3Å
2421W88.9Confident83.8Confident24 Ų2424.1 Ų24.19%0.09113%0.132CC..EExtended strand (participates in β ladder)trans-83.1-33.5-178.7-173.596.6000112.5L775 V2410 V2412 C2419 V2424 R2448 L2451 L2452 F2461L775-W2421 HydrophobicContact CD1-CH2 4.08Å; L775-W2421 HydrophobicContact CD1-CZ2 4.45Å; V2410-W2421 HydrophobicContact CB-CB 4.28Å; V2410-W2421 HydrophobicContact CG1-CB 4.2Å; V2410-W2421 WeakPolarHBondContact O-CB 3.37Å; V2410-W2421 PolarHBondContact O-N 3.22Å; V2412-W2421 HydrophobicContact CG1-CB 4.41Å; C2419-W2421 PolarHBondContact O-N 2.96Å; W2421-V2424 HydrophobicContact CH2-CG1 4.43Å; W2421-V2424 HydrophobicContact CZ3-CG1 4.03Å; W2421-R2448 HydrophobicContact CH2-CB 3.99Å; W2421-R2448 HydrophobicContact CH2-CG 4.23Å; W2421-R2448 WeakPolarHBondContact CH2-O 3.22Å; W2421-R2448 HydrophobicContact CZ3-CB 4.43Å; W2421-L2451 HydrophobicContact CZ2-CD2 4.3Å; W2421-L2451 HydrophobicContact CZ2-CG 4.36Å; W2421-L2452 HydrophobicContact CD2-CD1 3.82Å; W2421-L2452 HydrophobicContact CE3-CD1 4.5Å; W2421-L2452 HydrophobicContact CG-CD1 3.87Å; W2421-L2452 HydrophobicContact CH2-CB 4.2Å; W2421-L2452 HydrophobicContact CZ2-CB 3.84Å; W2421-L2452 HydrophobicContact CZ2-CD1 4.29Å; W2421-F2461 AromaticContact CD1-CE1 3.96Å; W2421-F2461 AromaticContact NE1-CE1 4Å
2422G87.3Confident83.4Confident10 Ų1025.6 Ų25.610%0.10314%0.14CC..EExtended strand (participates in β ladder)trans126.3-146.9-168.800000109.7V2410V2410-G2422 PolarHBondContact N-O 2.86Å
2423S89.3Confident82.8Confident0 Ų025.8 Ų25.80%014%0.141CC..  trans-125.7142.3169.2-166.80000112.6S2408 Y2425 R2448S2408-S2423 VanDerWaalsContact O-CB 3.22Å; S2408-S2423 WeakPolarHBondContact O-CB 3.45Å; S2408-S2423 PolarHBondContact O-OG 3.45Å; S2408-S2423 PolarHBondContact OG-OG 2.98Å; S2423-Y2425 WeakPolarHBondContact CB-O 3.4Å; S2423-Y2425 PolarHBondContact O-N 3.29Å; S2423-Y2425 PolarHBondContact OG-N 3.06Å; S2423-Y2425 VanDerWaalsContact OG-N 3.08Å; S2423-Y2425 PolarHBondContact OG-O 3.26Å; S2423-R2448 PolarHBondContact O-NH1 3.1Å
2424V91.3Very high82.2Confident0 Ų028.8 Ų28.80%016%0.157CC..SBendtrans-77.7-6.5165.6-690000112.6V2410 W2421 L2444 N2445 F2449 L2452V2410-V2424 HydrophobicContact CG2-CG1 4.28Å; V2410-V2424 HydrophobicContact CG2-CG2 4.11Å; W2421-V2424 HydrophobicContact CH2-CG1 4.43Å; W2421-V2424 HydrophobicContact CZ3-CG1 4.03Å; V2424-L2444 HydrophobicContact CB-CD1 3.93Å; V2424-L2444 HydrophobicContact CG2-CD1 3.73Å; V2424-N2445 PolarHBondContact O-N 2.72Å; V2424-F2449 HydrophobicContact CB-CD2 4.27Å; V2424-F2449 HydrophobicContact CG1-CB 4.43Å; V2424-F2449 HydrophobicContact CG1-CD2 4.17Å; V2424-F2449 HydrophobicContact CG2-CD2 4.27Å; V2424-L2452 HydrophobicContact CG1-CB 4.28Å; V2424-L2452 HydrophobicContact CG1-CD2 3.56Å
2425Y90.2Very high81.7Confident0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-105129.8178.8-74.8-84.1000110.9T2341 P2342 F2345 L2403 S2423 L2442 F2443 L2444T2341-Y2425 WeakPolarHBondContact CB-OH 3.5Å; T2341-Y2425 PolarHBondContact OG1-OH 3.45Å; P2342-Y2425 WeakPolarHBondContact O-CE1 3.4Å; P2342-Y2425 PolarHBondContact O-OH 2.95Å; F2345-Y2425 HydrophobicContact CB-CD1 3.58Å; F2345-Y2425 HydrophobicContact CB-CE1 3.83Å; F2345-Y2425 HydrophobicContact CB-CG 4.01Å; F2345-Y2425 AromaticContact CD2-CD1 3.95Å; F2345-Y2425 HydrophobicContact CD2-CD1 3.95Å; F2345-Y2425 AromaticContact CD2-CD2 3.45Å; F2345-Y2425 HydrophobicContact CD2-CD2 3.45Å; F2345-Y2425 VanDerWaalsContact CD2-CD2 3.45Å; F2345-Y2425 HydrophobicContact CD2-CE1 4.08Å; F2345-Y2425 AromaticContact CD2-CE2 3.61Å; F2345-Y2425 HydrophobicContact CD2-CE2 3.61Å; F2345-Y2425 AromaticContact CD2-CG 3.63Å; F2345-Y2425 HydrophobicContact CD2-CG 3.63Å; F2345-Y2425 AromaticContact CD2-CZ 3.91Å; F2345-Y2425 AromaticContact CE2-CD2 3.97Å; F2345-Y2425 HydrophobicContact CE2-CD2 3.97Å; F2345-Y2425 HydrophobicContact CE2-CE2 4.19Å; F2345-Y2425 HydrophobicContact CE2-CG 4.47Å; F2345-Y2425 HydrophobicContact CG-CD1 4.19Å; F2345-Y2425 HydrophobicContact CG-CD2 4.39Å; F2345-Y2425 HydrophobicContact CG-CE1 4.48Å; F2345-Y2425 HydrophobicContact CG-CG 4.14Å; L2403-Y2425 HydrophobicContact CD2-CE2 4Å; S2423-Y2425 WeakPolarHBondContact CB-O 3.4Å; S2423-Y2425 PolarHBondContact O-N 3.29Å; S2423-Y2425 PolarHBondContact OG-N 3.06Å; S2423-Y2425 VanDerWaalsContact OG-N 3.08Å; S2423-Y2425 PolarHBondContact OG-O 3.26Å; Y2425-L2442 HydrophobicContact CD1-CB 4.49Å; Y2425-F2443 WeakPolarHBondContact CA-O 3.43Å; Y2425-F2443 VanDerWaalsContact CD1-C 3.49Å; Y2425-L2444 HydrophobicContact CD1-CB 4.14Å; Y2425-L2444 HydrophobicContact CD2-CD1 4.36Å; Y2425-L2444 HydrophobicContact CE1-CB 3.68Å; Y2425-L2444 HydrophobicContact CE1-CD1 4.14Å; Y2425-L2444 HydrophobicContact CE2-CD1 3.95Å
2426L86.2Confident81.3Confident10 Ų1032.3 Ų32.35%0.05217%0.168CC..EExtended strand (participates in β ladder)trans-127.4154.3179.6-67.9-179.5000110.6E2432 L2442 F2443 N2445L2426-E2432 HydrophobicContact CD2-CB 4.47Å; L2426-E2432 HydrophobicContact CD2-CG 3.73Å; L2426-L2442 CarbonylContact O-C 3.56Å; L2426-L2442 WeakPolarHBondContact O-CA 3.35Å; L2426-F2443 PolarHBondContact N-O 3.03Å; L2426-F2443 PolarHBondContact O-N 3Å; L2426-N2445 HydrophobicContact CD1-CB 3.91Å; L2426-N2445 HydrophobicContact CG-CB 4.17Å
2427D81.7Confident80.7Confident8 Ų836 Ų364%0.04318%0.177CC..  trans-75.5178.1169.871.916.3000113.1Y2429 G2430 E2431 R2438 K2440 L2442D2427-Y2429 PolarHBondContact O-N 3.3Å; D2427-Y2429 VanDerWaalsContact O-N 3.07Å; D2427-Y2429 WeakPolarHBondContact OD1-CA 3.36Å; D2427-Y2429 WeakPolarHBondContact OD1-CB 3.5Å; D2427-Y2429 PolarHBondContact OD1-N 3.49Å; D2427-G2430 PolarHBondContact O-N 2.99Å; D2427-G2430 PolarHBondContact OD1-N 3.04Å; D2427-G2430 VanDerWaalsContact OD1-N 3.12Å; D2427-E2431 PolarHBondContact N-O 3.43Å; D2427-E2431 PolarHBondContact OD1-N 3.47Å; D2427-R2438 IonicContact OD2-CZ 3.63Å; D2427-R2438 IonicContact OD2-NH1 3.77Å; D2427-R2438 PolarHBondContact OD2-NH1 3.07Å; D2427-R2438 IonicContact OD2-NH2 2.68Å; D2427-R2438 PolarHBondContact OD2-NH2 3.03Å; D2427-K2440 HydrophobicContact CB-CB 4.05Å; D2427-L2442 HydrophobicContact CB-CD2 4.04Å
2428E75.2Confident80.3Confident110 Ų11037.1 Ų37.151%0.51418%0.177SC..THydrogen-bonded Turntrans-58.1-14.9177.369.4-169.3156.500115.2K2440E2428-K2440 WeakPolarHBondContact OE1-CE 3.31Å; E2428-K2440 IonicContact OE1-NZ 3.86Å; E2428-K2440 PolarHBondContact OE1-NZ 3.38Å
2429Y72.3Confident79.6Confident52 Ų5236.5 Ų36.520%0.20418%0.175CC..THydrogen-bonded Turntrans-104.21.2177.4-49.1-76.4000113.1R733 Y763 D2427R733-Y2429 HydrophobicContact CB-CD1 4.46Å; R733-Y2429 HydrophobicContact CB-CG 4.26Å; R733-Y2429 HydrophobicContact CG-CD1 4Å; R733-Y2429 HydrophobicContact CG-CD2 4.32Å; R733-Y2429 HydrophobicContact CG-CE1 4.2Å; R733-Y2429 HydrophobicContact CG-CG 4.08Å; Y763-Y2429 PolarHBondContact OH-O 3.32Å; D2427-Y2429 PolarHBondContact O-N 3.3Å; D2427-Y2429 VanDerWaalsContact O-N 3.07Å; D2427-Y2429 WeakPolarHBondContact OD1-CA 3.36Å; D2427-Y2429 WeakPolarHBondContact OD1-CB 3.5Å; D2427-Y2429 PolarHBondContact OD1-N 3.49Å
2430G74.5Confident79.2Confident15 Ų1537.7 Ų37.716%0.15518%0.18CC..SBendtrans76.724-175.400000114.2D2427D2427-G2430 PolarHBondContact O-N 2.99Å; D2427-G2430 PolarHBondContact OD1-N 3.04Å; D2427-G2430 VanDerWaalsContact OD1-N 3.12Å
2431E75.2Confident78.8Confident10 Ų1035.8 Ų35.85%0.04717%0.17CC..  trans-100.7146.1175.4-62-176.6-169.200112.4K732 R733 S734 D2427 R2438K732-E2431 WeakPolarHBondContact CB-OE1 3.48Å; R733-E2431 WeakPolarHBondContact CA-OE1 3.47Å; R733-E2431 WeakPolarHBondContact CB-OE1 3.39Å; R733-E2431 PolarHBondContact N-OE1 3.15Å; S734-E2431 WeakPolarHBondContact CB-OE2 3.37Å; S734-E2431 PolarHBondContact N-OE1 3.25Å; S734-E2431 VanDerWaalsContact N-OE1 3.1Å; S734-E2431 PolarHBondContact OG-OE1 3.12Å; S734-E2431 PolarHBondContact OG-OE2 3.4Å; D2427-E2431 PolarHBondContact N-O 3.43Å; D2427-E2431 PolarHBondContact OD1-N 3.47Å; E2431-R2438 PolarHBondContact O-NH2 3.16Å; E2431-R2438 IonicContact OE2-CZ 3.38Å; E2431-R2438 IonicContact OE2-NH1 3.5Å; E2431-R2438 PolarHBondContact OE2-NH1 2.83Å
2432E81.9Confident78.7Confident65 Ų6534.7 Ų34.730%0.30417%0.166SC..  trans-76.6148.2173.9-60.7178.9148.500111.5L2426 L2434 R2438 R2448L2426-E2432 HydrophobicContact CD2-CB 4.47Å; L2426-E2432 HydrophobicContact CD2-CG 3.73Å; E2432-L2434 HydrophobicContact CB-CD2 4.08Å; E2432-L2434 HydrophobicContact CB-CG 4.06Å; E2432-R2438 PolarHBondContact O-NE 3.12Å; E2432-R2438 PolarHBondContact O-NH2 2.88Å; E2432-R2448 IonicContact OE1-CZ 2.87Å; E2432-R2448 VanDerWaalsContact OE1-CZ 3.29Å; E2432-R2448 IonicContact OE1-NH1 2.72Å; E2432-R2448 PolarHBondContact OE1-NH1 2.82Å; E2432-R2448 IonicContact OE1-NH2 3.18Å; E2432-R2448 PolarHBondContact OE1-NH2 3.4Å
2433D76.6Confident78.8Confident4 Ų439.1 Ų39.12%0.02118%0.183CC..  trans-120.964.9166.8-16121.9000111.7S2408 E2435 L2436 K2437 R2438 G2439 K2440 L2442S2408-D2433 PolarHBondContact OG-O 3.05Å; D2433-E2435 PolarHBondContact O-N 3.43Å; D2433-L2436 WeakPolarHBondContact O-CA 3.27Å; D2433-L2436 PolarHBondContact O-N 3.39Å; D2433-K2437 PolarHBondContact OD1-N 3.48Å; D2433-K2437 VanDerWaalsContact OD1-N 3.12Å; D2433-R2438 WeakPolarHBondContact OD1-CB 3.26Å; D2433-R2438 WeakPolarHBondContact OD1-CG 3.48Å; D2433-R2438 PolarHBondContact OD1-N 3.37Å; D2433-R2438 IonicContact OD1-NE 3.96Å; D2433-R2438 PolarHBondContact OD1-NE 3.26Å; D2433-R2438 PolarHBondContact OD2-N 2.98Å; D2433-R2438 VanDerWaalsContact OD2-N 3.16Å; D2433-G2439 WeakPolarHBondContact OD2-CA 3.42Å; D2433-G2439 PolarHBondContact OD2-N 3.36Å; D2433-K2440 PolarHBondContact OD2-N 2.91Å; D2433-L2442 HydrophobicContact CB-CD1 4.2Å; D2433-L2442 HydrophobicContact CB-CD2 3.87Å
2434L74.9Confident78.9Confident64 Ų6441 Ų4134%0.33519%0.192SC..G310 helixtrans-60.7131.1178.6-50179.7000110.2I2409 E2432 L2436I2409-L2434 HydrophobicContact CG1-CB 4.47Å; I2409-L2434 HydrophobicContact CG1-CD2 4.23Å; E2432-L2434 HydrophobicContact CB-CD2 4.08Å; E2432-L2434 HydrophobicContact CB-CG 4.06Å; L2434-L2436 PolarHBondContact O-N 3.3Å
2435E73.3Confident78.8Confident108 Ų10843.1 Ų43.151%0.50520%0.204SC..G310 helixtrans64.813.4-170.1-55.4168.3-114.300114.6T2407 I2409 D2433 K2437T2407-E2435 HydrophobicContact CG2-CG 4.33Å; T2407-E2435 PolarHBondContact O-N 3.35Å; I2409-E2435 HydrophobicContact CD1-CG 4.43Å; D2433-E2435 PolarHBondContact O-N 3.43Å; E2435-K2437 VanDerWaalsContact C-N 3.29Å; E2435-K2437 HydrophobicContact CB-CD 4.22Å; E2435-K2437 HydrophobicContact CB-CG 4.19Å; E2435-K2437 PolarHBondContact O-N 3.32Å; E2435-K2437 IonicContact OE1-NZ 2.73Å; E2435-K2437 PolarHBondContact OE1-NZ 3.06Å; E2435-K2437 WeakPolarHBondContact OE2-CE 3.28Å; E2435-K2437 IonicContact OE2-NZ 2.7Å; E2435-K2437 PolarHBondContact OE2-NZ 3.43Å
2436L71.7Confident78.6Confident14 Ų1446.4 Ų46.47%0.07323%0.231CC..G310 helixtrans5438.2175.1-54.8174.9000114.1F2345 F2349 N2406 D2433 L2434 L2442F2345-L2436 HydrophobicContact CD1-CD2 4.27Å; F2345-L2436 HydrophobicContact CE1-CD1 4Å; F2345-L2436 HydrophobicContact CE1-CD2 3.81Å; F2345-L2436 HydrophobicContact CE1-CG 4.49Å; F2349-L2436 HydrophobicContact CE2-CD1 4.3Å; N2406-L2436 WeakPolarHBondContact O-CD1 3.35Å; D2433-L2436 WeakPolarHBondContact O-CA 3.27Å; D2433-L2436 PolarHBondContact O-N 3.39Å; L2434-L2436 PolarHBondContact O-N 3.3Å; L2436-L2442 HydrophobicContact CD2-CD1 3.91Å
2437K67.7Low78.4Confident144 Ų14453.3 Ų53.363%0.62626%0.263SS*.SBendtrans-78.6-33.6-171.2-75.9169.6178.6155.90114.1D2433 E2435D2433-K2437 PolarHBondContact OD1-N 3.48Å; D2433-K2437 VanDerWaalsContact OD1-N 3.12Å; E2435-K2437 VanDerWaalsContact C-N 3.29Å; E2435-K2437 HydrophobicContact CB-CD 4.22Å; E2435-K2437 HydrophobicContact CB-CG 4.19Å; E2435-K2437 PolarHBondContact O-N 3.32Å; E2435-K2437 IonicContact OE1-NZ 2.73Å; E2435-K2437 PolarHBondContact OE1-NZ 3.06Å; E2435-K2437 WeakPolarHBondContact OE2-CE 3.28Å; E2435-K2437 IonicContact OE2-NZ 2.7Å; E2435-K2437 PolarHBondContact OE2-NZ 3.43Å
2438R72.2Confident78.7Confident70 Ų7054 Ų5426%0.26427%0.265SS..SBendtrans-80.3-27.6174.3-54.3179.8-62.7136.317.2110.2N143 D2427 E2431 E2432 D2433 K2440N143-R2438 PolarHBondContact ND2-O 3.4Å; D2427-R2438 IonicContact OD2-CZ 3.63Å; D2427-R2438 IonicContact OD2-NH1 3.77Å; D2427-R2438 PolarHBondContact OD2-NH1 3.07Å; D2427-R2438 IonicContact OD2-NH2 2.68Å; D2427-R2438 PolarHBondContact OD2-NH2 3.03Å; E2431-R2438 PolarHBondContact O-NH2 3.16Å; E2431-R2438 IonicContact OE2-CZ 3.38Å; E2431-R2438 IonicContact OE2-NH1 3.5Å; E2431-R2438 PolarHBondContact OE2-NH1 2.83Å; E2432-R2438 PolarHBondContact O-NE 3.12Å; E2432-R2438 PolarHBondContact O-NH2 2.88Å; D2433-R2438 WeakPolarHBondContact OD1-CB 3.26Å; D2433-R2438 WeakPolarHBondContact OD1-CG 3.48Å; D2433-R2438 PolarHBondContact OD1-N 3.37Å; D2433-R2438 IonicContact OD1-NE 3.96Å; D2433-R2438 PolarHBondContact OD1-NE 3.26Å; D2433-R2438 PolarHBondContact OD2-N 2.98Å; D2433-R2438 VanDerWaalsContact OD2-N 3.16Å; R2438-K2440 VanDerWaalsContact C-N 3.28Å; R2438-K2440 PolarHBondContact O-N 3.4Å
2439G71.7Confident79.4Confident4 Ų448.9 Ų48.94%0.04124%0.241CC..  trans76.48.5179.700000114.4N143 K144 D2433N143-G2439 CarbonylContact C-O 3.56Å; N143-G2439 WeakPolarHBondContact CA-O 3.44Å; N143-G2439 WeakPolarHBondContact CB-O 3.23Å; K144-G2439 PolarHBondContact N-O 2.79Å; K144-G2439 WeakPolarHBondContact O-CA 3.33Å; D2433-G2439 WeakPolarHBondContact OD2-CA 3.42Å; D2433-G2439 PolarHBondContact OD2-N 3.36Å
2440K76.3Confident80.2Confident26 Ų2648.9 Ų48.911%0.11325%0.252CS..  trans-63.1149-171.9-97.2-70.9-173.81800111D141 D2427 E2428 D2433 R2438 L2442D141-K2440 IonicContact OD1-NZ 3.77Å; D141-K2440 PolarHBondContact OD1-NZ 3.04Å; D141-K2440 IonicContact OD2-NZ 3.94Å; D2427-K2440 HydrophobicContact CB-CB 4.05Å; E2428-K2440 WeakPolarHBondContact OE1-CE 3.31Å; E2428-K2440 IonicContact OE1-NZ 3.86Å; E2428-K2440 PolarHBondContact OE1-NZ 3.38Å; D2433-K2440 PolarHBondContact OD2-N 2.91Å; R2438-K2440 VanDerWaalsContact C-N 3.28Å; R2438-K2440 PolarHBondContact O-N 3.4Å; K2440-L2442 WeakPolarHBondContact O-CG 3.23Å; K2440-L2442 PolarHBondContact O-N 3.39Å
2441P77.6Confident80.8Confident13 Ų1350.5 Ų50.58%0.08426%0.257CS..  trans-61.9130.8171.9-16.631.8000108.5F142 F2443F142-P2441 HydrophobicContact CD1-CG 4.13Å; F142-P2441 HydrophobicContact CD2-CG 4.14Å; F142-P2441 HydrophobicContact CE1-CB 4.23Å; F142-P2441 HydrophobicContact CE1-CG 3.86Å; F142-P2441 HydrophobicContact CE2-CB 4.18Å; F142-P2441 HydrophobicContact CE2-CG 3.88Å; F142-P2441 HydrophobicContact CG-CG 4.26Å; F142-P2441 HydrophobicContact CZ-CB 3.81Å; F142-P2441 HydrophobicContact CZ-CG 3.73Å; F142-P2441 VanDerWaalsContact O-CD 3.29Å; F142-P2441 WeakPolarHBondContact O-CD 3.45Å; F142-P2441 WeakPolarHBondContact O-CG 3.26Å; P2441-F2443 HydrophobicContact CB-CE2 4.2Å; P2441-F2443 HydrophobicContact CB-CZ 4.07Å
2442L86.1Confident81.5Confident1 Ų150 Ų501%0.00526%0.255CS..  trans-113.7139.6-178.7-47.1176.6000111.2F2345 Y2425 L2426 D2427 D2433 L2436 K2440F2345-L2442 HydrophobicContact CB-CB 3.91Å; F2345-L2442 WeakPolarHBondContact CB-O 3.25Å; F2345-L2442 HydrophobicContact CD1-CD1 4.33Å; F2345-L2442 PolarHBondContact N-O 2.95Å; Y2425-L2442 HydrophobicContact CD1-CB 4.49Å; L2426-L2442 CarbonylContact O-C 3.56Å; L2426-L2442 WeakPolarHBondContact O-CA 3.35Å; D2427-L2442 HydrophobicContact CB-CD2 4.04Å; D2433-L2442 HydrophobicContact CB-CD1 4.2Å; D2433-L2442 HydrophobicContact CB-CD2 3.87Å; L2436-L2442 HydrophobicContact CD2-CD1 3.91Å; K2440-L2442 WeakPolarHBondContact O-CG 3.23Å; K2440-L2442 PolarHBondContact O-N 3.39Å
2443F88.9Confident81.9Confident104 Ų10448 Ų4846%0.45625%0.245SC..EExtended strand (participates in β ladder)trans-119142.6-176.2-53.8-81.7000110.3S2343 Y2425 L2426 P2441 N2445S2343-F2443 CarbonylContact O-C 3.36Å; S2343-F2443 VanDerWaalsContact O-CA 3.27Å; S2343-F2443 WeakPolarHBondContact O-CA 3.48Å; Y2425-F2443 WeakPolarHBondContact CA-O 3.43Å; Y2425-F2443 VanDerWaalsContact CD1-C 3.49Å; L2426-F2443 PolarHBondContact N-O 3.03Å; L2426-F2443 PolarHBondContact O-N 3Å; P2441-F2443 HydrophobicContact CB-CE2 4.2Å; P2441-F2443 HydrophobicContact CB-CZ 4.07Å; F2443-N2445 PolarHBondContact O-N 3.12Å; F2443-N2445 VanDerWaalsContact O-N 3.09Å
2444L91Very high82.3Confident38 Ų3852.3 Ų52.320%0.19927%0.268CS..EExtended strand (participates in β ladder)trans-67.9107.8-178.4-175.267.2000109.6T2341 S2343 V2424 Y2425 A2446 F2449T2341-L2444 WeakPolarHBondContact O-CD2 3.35Å; S2343-L2444 PolarHBondContact O-N 3.28Å; V2424-L2444 HydrophobicContact CB-CD1 3.93Å; V2424-L2444 HydrophobicContact CG2-CD1 3.73Å; Y2425-L2444 HydrophobicContact CD1-CB 4.14Å; Y2425-L2444 HydrophobicContact CD2-CD1 4.36Å; Y2425-L2444 HydrophobicContact CE1-CB 3.68Å; Y2425-L2444 HydrophobicContact CE1-CD1 4.14Å; Y2425-L2444 HydrophobicContact CE2-CD1 3.95Å; L2444-A2446 PolarHBondContact O-N 3.4Å; L2444-F2449 HydrophobicContact CD1-CB 4.39Å; L2444-F2449 HydrophobicContact CD1-CD2 3.89Å; L2444-F2449 HydrophobicContact CD1-CG 4.48Å
2445N90.3Very high82.9Confident46 Ų4649.8 Ų49.825%0.24625%0.254CS..  trans-77113.5177.9177-84.4000109.4V2424 L2426 F2443 E2447 R2448 F2449V2424-N2445 PolarHBondContact O-N 2.72Å; L2426-N2445 HydrophobicContact CD1-CB 3.91Å; L2426-N2445 HydrophobicContact CG-CB 4.17Å; F2443-N2445 PolarHBondContact O-N 3.12Å; F2443-N2445 VanDerWaalsContact O-N 3.09Å; N2445-E2447 VanDerWaalsContact C-N 3.32Å; N2445-E2447 PolarHBondContact O-N 2.89Å; N2445-E2447 PolarHBondContact OD1-N 3.39Å; N2445-R2448 HydrophobicContact CB-CB 4.18Å; N2445-R2448 HydrophobicContact CB-CG 4.5Å; N2445-R2448 PolarHBondContact O-N 2.88Å; N2445-R2448 WeakPolarHBondContact OD1-CB 3.31Å; N2445-R2448 WeakPolarHBondContact OD1-CG 3.42Å; N2445-R2448 PolarHBondContact OD1-N 3.46Å; N2445-F2449 PolarHBondContact O-N 2.93Å
2446A85.6Confident83.5Confident68 Ų6846.2 Ų46.256%0.56224%0.237SC*.Hα-helixtrans-62.4-36.3-172.600000113.2L2444 A2450L2444-A2446 PolarHBondContact O-N 3.4Å; A2446-A2450 VanDerWaalsContact O-CB 3.27Å; A2446-A2450 WeakPolarHBondContact O-CB 3.46Å; A2446-A2450 PolarHBondContact O-N 3.4Å
2447E82.6Confident84.1Confident156 Ų15648.7 Ų48.773%0.72925%0.249SC*.Hα-helixtrans-68.5-43.4177.9-62177.9130.800111.6N2445 A2450 L2451N2445-E2447 VanDerWaalsContact C-N 3.32Å; N2445-E2447 PolarHBondContact O-N 2.89Å; N2445-E2447 PolarHBondContact OD1-N 3.39Å; E2447-A2450 PolarHBondContact O-N 3.08Å; E2447-L2451 VanDerWaalsContact O-CB 3.28Å; E2447-L2451 WeakPolarHBondContact O-CB 3.23Å; E2447-L2451 PolarHBondContact O-N 3.21Å
2448R87.4Confident84.6Confident21 Ų2145.4 Ų45.48%0.07924%0.241CC..Hα-helixtrans-64.2-41.1174.4-82.3-175.8161.8-141.1-8.2112.3L775 W2421 S2423 E2432 N2445 L2451 L2452L775-R2448 HydrophobicContact CD1-CG 4.12Å; L775-R2448 HydrophobicContact CD2-CG 4.19Å; W2421-R2448 HydrophobicContact CH2-CB 3.99Å; W2421-R2448 HydrophobicContact CH2-CG 4.23Å; W2421-R2448 WeakPolarHBondContact CH2-O 3.22Å; W2421-R2448 HydrophobicContact CZ3-CB 4.43Å; S2423-R2448 PolarHBondContact O-NH1 3.1Å; E2432-R2448 IonicContact OE1-CZ 2.87Å; E2432-R2448 VanDerWaalsContact OE1-CZ 3.29Å; E2432-R2448 IonicContact OE1-NH1 2.72Å; E2432-R2448 PolarHBondContact OE1-NH1 2.82Å; E2432-R2448 IonicContact OE1-NH2 3.18Å; E2432-R2448 PolarHBondContact OE1-NH2 3.4Å; N2445-R2448 HydrophobicContact CB-CB 4.18Å; N2445-R2448 HydrophobicContact CB-CG 4.5Å; N2445-R2448 PolarHBondContact O-N 2.88Å; N2445-R2448 WeakPolarHBondContact OD1-CB 3.31Å; N2445-R2448 WeakPolarHBondContact OD1-CG 3.42Å; N2445-R2448 PolarHBondContact OD1-N 3.46Å; R2448-L2451 PolarHBondContact O-N 3.1Å; R2448-L2452 WeakPolarHBondContact O-CB 3.45Å; R2448-L2452 PolarHBondContact O-N 3.43Å
2449F90.8Very high84.9Confident4 Ų447.9 Ų47.92%0.01826%0.256CS..Hα-helixtrans-66.4-41.6175.2-166.5-84.1000111.3L2338 R2340 L2371 V2424 L2444 N2445 L2451 L2452 E2453L2338-F2449 HydrophobicContact CB-CE1 3.94Å; L2338-F2449 HydrophobicContact CB-CZ 3.59Å; R2340-F2449 HydrophobicContact CG-CD1 4.4Å; R2340-F2449 HydrophobicContact CG-CE1 3.83Å; R2340-F2449 HydrophobicContact CG-CZ 4.12Å; L2371-F2449 HydrophobicContact CD1-CE2 4.43Å; V2424-F2449 HydrophobicContact CB-CD2 4.27Å; V2424-F2449 HydrophobicContact CG1-CB 4.43Å; V2424-F2449 HydrophobicContact CG1-CD2 4.17Å; V2424-F2449 HydrophobicContact CG2-CD2 4.27Å; L2444-F2449 HydrophobicContact CD1-CB 4.39Å; L2444-F2449 HydrophobicContact CD1-CD2 3.89Å; L2444-F2449 HydrophobicContact CD1-CG 4.48Å; N2445-F2449 PolarHBondContact O-N 2.93Å; F2449-L2451 VanDerWaalsContact C-N 3.34Å; F2449-L2451 PolarHBondContact O-N 3.34Å; F2449-L2452 PolarHBondContact O-N 2.93Å; F2449-E2453 WeakPolarHBondContact O-CB 3.36Å; F2449-E2453 PolarHBondContact O-N 2.81Å
2450A87Confident85.2Confident52 Ų5249 Ų4943%0.4326%0.263SS..Hα-helixtrans-63.9-37173.900000112.4A2446 E2447 N2454A2446-A2450 VanDerWaalsContact O-CB 3.27Å; A2446-A2450 WeakPolarHBondContact O-CB 3.46Å; A2446-A2450 PolarHBondContact O-N 3.4Å; E2447-A2450 PolarHBondContact O-N 3.08Å; A2450-N2454 WeakPolarHBondContact O-CB 3.45Å; A2450-N2454 PolarHBondContact O-N 3.08Å
2451L87.7Confident85.6Confident49 Ų4947.8 Ų47.826%0.25726%0.257SS..Hα-helixtrans-66.7-42.8174.7-177.465.5000111.7L775 W2421 E2447 R2448 F2449 Q2455L775-L2451 HydrophobicContact CD1-CD2 4.07Å; L775-L2451 HydrophobicContact CD2-CD2 4.33Å; L775-L2451 HydrophobicContact CG-CD2 4.35Å; W2421-L2451 HydrophobicContact CZ2-CD2 4.3Å; W2421-L2451 HydrophobicContact CZ2-CG 4.36Å; E2447-L2451 VanDerWaalsContact O-CB 3.28Å; E2447-L2451 WeakPolarHBondContact O-CB 3.23Å; E2447-L2451 PolarHBondContact O-N 3.21Å; R2448-L2451 PolarHBondContact O-N 3.1Å; F2449-L2451 VanDerWaalsContact C-N 3.34Å; F2449-L2451 PolarHBondContact O-N 3.34Å; L2451-Q2455 HydrophobicContact CD1-CG 4.38Å; L2451-Q2455 VanDerWaalsContact O-CB 3.28Å; L2451-Q2455 WeakPolarHBondContact O-CB 3.26Å; L2451-Q2455 WeakPolarHBondContact O-CG 3.43Å; L2451-Q2455 PolarHBondContact O-N 3.46Å
2452L90.4Very high85.4Confident0 Ų054.6 Ų54.60%028%0.282CS..Hα-helixtrans-62.3-47174.6178.870.3000111.5L2338 L2371 V2401 V2410 V2412 W2421 V2424 R2448 F2449 Q2455 W2456 F2461L2338-L2452 HydrophobicContact CD1-CD2 3.95Å; L2338-L2452 HydrophobicContact CD1-CG 3.83Å; L2371-L2452 HydrophobicContact CD1-CD2 4.18Å; V2401-L2452 HydrophobicContact CG1-CD1 4.05Å; V2401-L2452 HydrophobicContact CG1-CD2 3.82Å; V2401-L2452 HydrophobicContact CG1-CG 4.13Å; V2410-L2452 HydrophobicContact CG1-CD1 4.05Å; V2410-L2452 HydrophobicContact CG1-CD2 3.98Å; V2410-L2452 HydrophobicContact CG2-CD2 4.45Å; V2412-L2452 HydrophobicContact CG1-CD1 4.11Å; W2421-L2452 HydrophobicContact CD2-CD1 3.82Å; W2421-L2452 HydrophobicContact CE3-CD1 4.5Å; W2421-L2452 HydrophobicContact CG-CD1 3.87Å; W2421-L2452 HydrophobicContact CH2-CB 4.2Å; W2421-L2452 HydrophobicContact CZ2-CB 3.84Å; W2421-L2452 HydrophobicContact CZ2-CD1 4.29Å; V2424-L2452 HydrophobicContact CG1-CB 4.28Å; V2424-L2452 HydrophobicContact CG1-CD2 3.56Å; R2448-L2452 WeakPolarHBondContact O-CB 3.45Å; R2448-L2452 PolarHBondContact O-N 3.43Å; F2449-L2452 PolarHBondContact O-N 2.93Å; L2452-Q2455 PolarHBondContact O-N 2.58Å; L2452-W2456 WeakPolarHBondContact O-CB 3.37Å; L2452-W2456 PolarHBondContact O-N 3.27Å; L2452-F2461 HydrophobicContact CD1-CE1 3.85Å; L2452-F2461 HydrophobicContact CD1-CZ 3.87Å
2453E89.9Confident84.5Confident23 Ų2358.9 Ų58.911%0.10730%0.301CS..Hα-helixtrans-62.7-45.8177.1179.6166.9107.200111.5R2337 L2338 F2449 W2456 I2457R2337-E2453 WeakPolarHBondContact CA-OE2 3.39Å; R2337-E2453 WeakPolarHBondContact CB-OE2 3.48Å; R2337-E2453 WeakPolarHBondContact CD-OE1 3.22Å; R2337-E2453 WeakPolarHBondContact CG-OE1 2.9Å; R2337-E2453 IonicContact NE-OE1 2.7Å; L2338-E2453 HydrophobicContact CD1-CB 4.14Å; L2338-E2453 HydrophobicContact CG-CB 4.36Å; L2338-E2453 PolarHBondContact N-OE2 3.2Å; F2449-E2453 WeakPolarHBondContact O-CB 3.36Å; F2449-E2453 PolarHBondContact O-N 2.81Å; E2453-W2456 PolarHBondContact O-N 3.35Å; E2453-I2457 HydrophobicContact CG-CD1 3.7Å; E2453-I2457 WeakPolarHBondContact O-CD1 3.38Å; E2453-I2457 VanDerWaalsContact O-CG1 3.24Å; E2453-I2457 WeakPolarHBondContact O-CG1 3.47Å; E2453-I2457 PolarHBondContact O-N 3.13Å
2454N85.7Confident83.6Confident93 Ų9355.6 Ų55.650%0.49729%0.29SS..Hα-helixtrans-65.1-41.7176.7-169.7-14.8000111.7A2450 W2456 I2457 T2458A2450-N2454 WeakPolarHBondContact O-CB 3.45Å; A2450-N2454 PolarHBondContact O-N 3.08Å; N2454-W2456 VanDerWaalsContact C-N 3.29Å; N2454-W2456 PolarHBondContact O-N 3.29Å; N2454-I2457 PolarHBondContact O-N 2.84Å; N2454-T2458 WeakPolarHBondContact O-CB 3.19Å; N2454-T2458 WeakPolarHBondContact O-CG2 3.44Å; N2454-T2458 PolarHBondContact O-N 3.26Å; N2454-T2458 PolarHBondContact O-OG1 2.98Å; N2454-T2458 VanDerWaalsContact OD1-CG2 3.31Å; N2454-T2458 WeakPolarHBondContact OD1-CG2 3.22Å
2455Q86.7Confident82.7Confident11 Ų1155 Ų555%0.05129%0.286CS..Hα-helixtrans-64.7-31.5175.4-75.9176.19.600113.3L2451 L2452 H2459 S2460 F2461L2451-Q2455 HydrophobicContact CD1-CG 4.38Å; L2451-Q2455 VanDerWaalsContact O-CB 3.28Å; L2451-Q2455 WeakPolarHBondContact O-CB 3.26Å; L2451-Q2455 WeakPolarHBondContact O-CG 3.43Å; L2451-Q2455 PolarHBondContact O-N 3.46Å; L2452-Q2455 PolarHBondContact O-N 2.58Å; Q2455-H2459 CarbonylContact O-C 3.59Å; Q2455-H2459 PolarHBondContact O-N 2.97Å; Q2455-S2460 WeakPolarHBondContact CA-OG 3.36Å; Q2455-S2460 PolarHBondContact O-N 2.99Å; Q2455-F2461 HydrophobicContact CB-CD1 3.58Å; Q2455-F2461 HydrophobicContact CB-CE1 3.41Å; Q2455-F2461 VanDerWaalsContact CB-CE1 3.41Å; Q2455-F2461 HydrophobicContact CB-CG 4.49Å; Q2455-F2461 HydrophobicContact CB-CZ 4.24Å
2456W86.9Confident81.6Confident34 Ų3458.5 Ų58.513%0.12930%0.3CS..Hα-helixtrans-70.3-52.6172.1177.257.5000111.5P2336 L2338 I2372 V2401 L2452 E2453 N2454 T2458 H2459 F2461P2336-W2456 HydrophobicContact CB-CH2 4.33Å; P2336-W2456 HydrophobicContact CB-CZ3 4.2Å; L2338-W2456 HydrophobicContact CD2-CD2 3.82Å; L2338-W2456 HydrophobicContact CD2-CE3 3.57Å; L2338-W2456 HydrophobicContact CD2-CG 4.45Å; L2338-W2456 HydrophobicContact CD2-CH2 4.24Å; L2338-W2456 HydrophobicContact CD2-CZ2 4.47Å; L2338-W2456 HydrophobicContact CD2-CZ3 3.79Å; L2338-W2456 HydrophobicContact CG-CD2 4.39Å; L2338-W2456 HydrophobicContact CG-CE3 3.79Å; L2338-W2456 HydrophobicContact CG-CZ3 4.14Å; I2372-W2456 HydrophobicContact CB-CZ2 4.42Å; I2372-W2456 HydrophobicContact CD1-CZ2 3.81Å; I2372-W2456 HydrophobicContact CG1-CH2 4.39Å; I2372-W2456 HydrophobicContact CG1-CZ2 3.78Å; I2372-W2456 HydrophobicContact CG2-CH2 4.17Å; I2372-W2456 HydrophobicContact CG2-CZ2 3.85Å; V2401-W2456 HydrophobicContact CG2-CB 4.33Å; V2401-W2456 HydrophobicContact CG2-CG 4.04Å; L2452-W2456 WeakPolarHBondContact O-CB 3.37Å; L2452-W2456 PolarHBondContact O-N 3.27Å; E2453-W2456 PolarHBondContact O-N 3.35Å; N2454-W2456 VanDerWaalsContact C-N 3.29Å; N2454-W2456 PolarHBondContact O-N 3.29Å; W2456-T2458 VanDerWaalsContact C-N 3.31Å; W2456-T2458 PolarHBondContact O-N 2.86Å; W2456-H2459 WeakPolarHBondContact O-CA 3.39Å; W2456-H2459 PolarHBondContact O-N 3.35Å; W2456-F2461 HydrophobicContact CB-CE2 3.71Å; W2456-F2461 HydrophobicContact CB-CZ 3.7Å; W2456-F2461 HydrophobicContact CG-CE2 4.27Å
2457I83.2Confident81.2Confident66 Ų6659.3 Ų59.334%0.33829%0.294SS..Hα-helixtrans-60.1-38.9-179.8-66.9163.3000111.9P2336 E2453 N2454 H2459P2336-I2457 VanDerWaalsContact O-CD1 3.24Å; P2336-I2457 WeakPolarHBondContact O-CD1 3.15Å; E2453-I2457 HydrophobicContact CG-CD1 3.7Å; E2453-I2457 WeakPolarHBondContact O-CD1 3.38Å; E2453-I2457 VanDerWaalsContact O-CG1 3.24Å; E2453-I2457 WeakPolarHBondContact O-CG1 3.47Å; E2453-I2457 PolarHBondContact O-N 3.13Å; N2454-I2457 PolarHBondContact O-N 2.84Å; I2457-H2459 VanDerWaalsContact C-N 3.28Å; I2457-H2459 PolarHBondContact O-N 3.23Å
2458T78.6Confident81Confident74 Ų7453.9 Ų53.945%0.45427%0.267SS..THydrogen-bonded Turntrans-83.71176.657.40000113.7N2454 W2456 S2460N2454-T2458 WeakPolarHBondContact O-CB 3.19Å; N2454-T2458 WeakPolarHBondContact O-CG2 3.44Å; N2454-T2458 PolarHBondContact O-N 3.26Å; N2454-T2458 PolarHBondContact O-OG1 2.98Å; N2454-T2458 VanDerWaalsContact OD1-CG2 3.31Å; N2454-T2458 WeakPolarHBondContact OD1-CG2 3.22Å; W2456-T2458 VanDerWaalsContact C-N 3.31Å; W2456-T2458 PolarHBondContact O-N 2.86Å; T2458-S2460 PolarHBondContact O-N 3.44Å; T2458-S2460 WeakPolarHBondContact OG1-CB 3.31Å; T2458-S2460 PolarHBondContact OG1-OG 2.87Å
2459H79.5Confident80.5Confident123 Ų12356.4 Ų56.457%0.56928%0.277SS*.THydrogen-bonded Turntrans50.621.1-172.2-62-77.6000114.7Q2455 W2456 I2457 F2461Q2455-H2459 CarbonylContact O-C 3.59Å; Q2455-H2459 PolarHBondContact O-N 2.97Å; W2456-H2459 WeakPolarHBondContact O-CA 3.39Å; W2456-H2459 PolarHBondContact O-N 3.35Å; I2457-H2459 VanDerWaalsContact C-N 3.28Å; I2457-H2459 PolarHBondContact O-N 3.23Å; H2459-F2461 VanDerWaalsContact C-N 3.32Å; H2459-F2461 PolarHBondContact O-N 3.46Å
2460S78.2Confident79.7Confident28 Ų2859.7 Ų59.720%0.19630%0.3CS..THydrogen-bonded Turntrans-84-0.5-168.361.10000114.3Q2455 T2458 R2462 H2463 V2464Q2455-S2460 WeakPolarHBondContact CA-OG 3.36Å; Q2455-S2460 PolarHBondContact O-N 2.99Å; T2458-S2460 PolarHBondContact O-N 3.44Å; T2458-S2460 WeakPolarHBondContact OG1-CB 3.31Å; T2458-S2460 PolarHBondContact OG1-OG 2.87Å; S2460-R2462 PolarHBondContact O-N 3.09Å; S2460-H2463 WeakPolarHBondContact O-CA 3.27Å; S2460-H2463 WeakPolarHBondContact O-CB 3.47Å; S2460-H2463 PolarHBondContact O-N 3.36Å; S2460-V2464 PolarHBondContact O-N 3.3Å; S2460-V2464 VanDerWaalsContact O-N 3.16Å
2461F83.4Confident78.4Confident0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-46-39.8172.2-69.4-42.9000113.1V2401 V2412 L2414 W2421 L2452 Q2455 W2456 H2459 H2463 V2464 L2465 W2468V2401-F2461 HydrophobicContact CG2-CE2 4Å; V2401-F2461 HydrophobicContact CG2-CZ 4.06Å; V2412-F2461 HydrophobicContact CB-CD2 4.32Å; V2412-F2461 HydrophobicContact CB-CE2 4.22Å; V2412-F2461 HydrophobicContact CB-CZ 4.44Å; V2412-F2461 HydrophobicContact CG1-CD2 4.46Å; V2412-F2461 HydrophobicContact CG1-CE1 4.04Å; V2412-F2461 HydrophobicContact CG1-CE2 3.94Å; V2412-F2461 HydrophobicContact CG1-CZ 3.72Å; V2412-F2461 HydrophobicContact CG2-CD1 4.45Å; V2412-F2461 HydrophobicContact CG2-CG 4.38Å; L2414-F2461 HydrophobicContact CD1-CB 4.31Å; W2421-F2461 AromaticContact CD1-CE1 3.96Å; W2421-F2461 AromaticContact NE1-CE1 4Å; L2452-F2461 HydrophobicContact CD1-CE1 3.85Å; L2452-F2461 HydrophobicContact CD1-CZ 3.87Å; Q2455-F2461 HydrophobicContact CB-CD1 3.58Å; Q2455-F2461 HydrophobicContact CB-CE1 3.41Å; Q2455-F2461 VanDerWaalsContact CB-CE1 3.41Å; Q2455-F2461 HydrophobicContact CB-CG 4.49Å; Q2455-F2461 HydrophobicContact CB-CZ 4.24Å; W2456-F2461 HydrophobicContact CB-CE2 3.71Å; W2456-F2461 HydrophobicContact CB-CZ 3.7Å; W2456-F2461 HydrophobicContact CG-CE2 4.27Å; H2459-F2461 VanDerWaalsContact C-N 3.32Å; H2459-F2461 PolarHBondContact O-N 3.46Å; F2461-H2463 PolarHBondContact O-N 2.91Å; F2461-V2464 PolarHBondContact O-N 3.27Å; F2461-L2465 HydrophobicContact CB-CD1 4.45Å; F2461-L2465 HydrophobicContact CD1-CD1 4.37Å; F2461-L2465 VanDerWaalsContact O-CB 3.3Å; F2461-L2465 WeakPolarHBondContact O-CB 3.31Å; F2461-L2465 PolarHBondContact O-N 3.46Å; F2461-W2468 HydrophobicContact CB-CH2 4.06Å; F2461-W2468 HydrophobicContact CB-CZ2 3.87Å
2462R73.8Confident77.9Confident156 Ų15661.2 Ų61.259%0.58930%0.302SS*.Hα-helixtrans-71.4-11.2-179.3-152176.3-167.2142.68.3114.5L2414 S2460L2414-R2462 HydrophobicContact CD1-CB 3.97Å; L2414-R2462 HydrophobicContact CD1-CG 4.44Å; S2460-R2462 PolarHBondContact O-N 3.09Å
2463H67.2Low77.3Confident91 Ų9164.4 Ų64.442%0.42132%0.318SS..Hα-helixtrans-98.5-40.9177-66.3-126.4000111.1P2163 S2460 F2461P2163-H2463 HydrophobicContact CB-CB 4.28Å; P2163-H2463 HydrophobicContact CG-CB 4.36Å; S2460-H2463 WeakPolarHBondContact O-CA 3.27Å; S2460-H2463 WeakPolarHBondContact O-CB 3.47Å; S2460-H2463 PolarHBondContact O-N 3.36Å; F2461-H2463 PolarHBondContact O-N 2.91Å
2464V69.1Low76.6Confident35 Ų3566.7 Ų66.721%0.21233%0.33CS..Hα-helixtrans-82.3-48.4-178.1-1750000111.7G773 S2460 F2461G773-V2464 WeakPolarHBondContact O-CG1 3.49Å; S2460-V2464 PolarHBondContact O-N 3.3Å; S2460-V2464 VanDerWaalsContact O-N 3.16Å; F2461-V2464 PolarHBondContact O-N 3.27Å
2465L72.1Confident76.1Confident25 Ų2565.2 Ų65.213%0.13132%0.32CS..  trans-84.1130.4-176.3-60.4179000111.6V2412 C2419 F2461 W2468V2412-L2465 HydrophobicContact CG2-CD1 3.28Å; C2419-L2465 HydrophobicContact CB-CD1 4.04Å; F2461-L2465 HydrophobicContact CB-CD1 4.45Å; F2461-L2465 HydrophobicContact CD1-CD1 4.37Å; F2461-L2465 VanDerWaalsContact O-CB 3.3Å; F2461-L2465 WeakPolarHBondContact O-CB 3.31Å; F2461-L2465 PolarHBondContact O-N 3.46Å; L2465-W2468 HydrophobicContact CB-CZ2 4.01Å; L2465-W2468 HydrophobicContact CD1-CH2 4.35Å; L2465-W2468 HydrophobicContact CD1-CZ2 3.98Å; L2465-W2468 PolarHBondContact O-NE1 2.93Å
2466K68.9Low75.4Confident120 Ų12068.6 Ų68.652%0.52234%0.337SS..  trans-93-41.9178.4-70.9168.9-174.5164.10111T1774 W2468T1774-K2466 WeakPolarHBondContact CB-O 3.15Å; T1774-K2466 HydrophobicContact CG2-CB 3.78Å; T1774-K2466 HydrophobicContact CG2-CG 4.34Å; T1774-K2466 VanDerWaalsContact CG2-O 3.24Å; T1774-K2466 WeakPolarHBondContact CG2-O 3.38Å; T1774-K2466 WeakPolarHBondContact OG1-CB 3.17Å; T1774-K2466 PolarHBondContact OG1-O 3.45Å; K2466-W2468 VanDerWaalsContact C-N 3.33Å; K2466-W2468 PolarHBondContact O-N 3.39Å
2467N75.9Confident74.6Confident84 Ų8470.9 Ų70.945%0.44935%0.351SS..  trans-82.254.3-163.5-72.5-15.6000116.3A1773 T1774 C2419 R2469A1773-N2467 VanDerWaalsContact CB-CA 3.45Å; A1773-N2467 HydrophobicContact CB-CB 3.7Å; A1773-N2467 WeakPolarHBondContact CB-O 3.23Å; T1774-N2467 PolarHBondContact OG1-OD1 3.46Å; T1774-N2467 VanDerWaalsContact OG1-OD1 3.11Å; C2419-N2467 PolarHBondContact SG-O 3.41Å; N2467-R2469 PolarHBondContact O-N 3.03Å
2468W79.4Confident74Confident43 Ų4371.2 Ų71.216%0.16335%0.352CS..EExtended strand (participates in β ladder)trans-77.5117177.6-64.592.8000113.2A1773 V2412 L2414 N2417 C2419 F2461 L2465 K2466A1773-W2468 WeakPolarHBondContact CA-O 3.26Å; V2412-W2468 HydrophobicContact CG2-CH2 3.81Å; V2412-W2468 HydrophobicContact CG2-CZ3 4.36Å; V2412-W2468 WeakPolarHBondContact O-CZ3 3Å; L2414-W2468 HydrophobicContact CB-CE3 4.5Å; L2414-W2468 HydrophobicContact CB-CH2 4.1Å; L2414-W2468 HydrophobicContact CB-CZ3 3.86Å; L2414-W2468 HydrophobicContact CD1-CH2 3.78Å; L2414-W2468 HydrophobicContact CD1-CZ2 4.05Å; L2414-W2468 HydrophobicContact CD1-CZ3 4.38Å; L2414-W2468 HydrophobicContact CG-CH2 4.23Å; L2414-W2468 HydrophobicContact CG-CZ3 4.48Å; N2417-W2468 HydrophobicContact CB-CE3 4.02Å; C2419-W2468 HydrophobicContact CB-CD2 3.72Å; C2419-W2468 HydrophobicContact CB-CE3 3.58Å; C2419-W2468 HydrophobicContact CB-CG 4.32Å; C2419-W2468 HydrophobicContact CB-CH2 4.05Å; C2419-W2468 HydrophobicContact CB-CZ2 4.18Å; C2419-W2468 HydrophobicContact CB-CZ3 3.75Å; F2461-W2468 HydrophobicContact CB-CH2 4.06Å; F2461-W2468 HydrophobicContact CB-CZ2 3.87Å; L2465-W2468 HydrophobicContact CB-CZ2 4.01Å; L2465-W2468 HydrophobicContact CD1-CH2 4.35Å; L2465-W2468 HydrophobicContact CD1-CZ2 3.98Å; L2465-W2468 PolarHBondContact O-NE1 2.93Å; K2466-W2468 VanDerWaalsContact C-N 3.33Å; K2466-W2468 PolarHBondContact O-N 3.39Å
2469R75.9Confident73.7Confident74 Ų7471 Ų7128%0.27934%0.344SS..EExtended strand (participates in β ladder)trans-93.6141.1171.6-45.8178.5-164.7-1624.8109.5A1772 A1773 N2417 I2418 D2420 N2467A1772-R2469 WeakPolarHBondContact O-CA 3.42Å; A1773-R2469 HydrophobicContact CB-CG 4.26Å; N2417-R2469 CarbonylContact C-O 3.6Å; N2417-R2469 WeakPolarHBondContact CA-O 3.48Å; I2418-R2469 HydrophobicContact CG2-CB 4.32Å; I2418-R2469 PolarHBondContact N-O 3.4Å; I2418-R2469 PolarHBondContact O-N 3.03Å; D2420-R2469 VanDerWaalsContact CG-NH2 3.26Å; D2420-R2469 IonicContact OD1-CZ 2.58Å; D2420-R2469 IonicContact OD1-NE 3.32Å; D2420-R2469 PolarHBondContact OD1-NE 2.96Å; D2420-R2469 IonicContact OD1-NH2 3.34Å; D2420-R2469 PolarHBondContact OD1-NH2 3.19Å; D2420-R2469 IonicContact OD2-CZ 3.15Å; D2420-R2469 IonicContact OD2-NE 2.77Å; D2420-R2469 IonicContact OD2-NH2 2.94Å; D2420-R2469 PolarHBondContact OD2-NH2 3Å; N2467-R2469 PolarHBondContact O-N 3.03Å
2470S73.6Confident73.2Confident72 Ų7266.7 Ų66.750%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-75.1144.9164.1-162.30000109.5
2471V60.6Low72.7Confident72 Ų7270.2 Ų70.244%0.43634%0.337SS..  trans-87.40156-172.60000108.6A2385 V2389 S2416 I2418A2385-V2471 HydrophobicContact CB-CB 4.36Å; A2385-V2471 HydrophobicContact CB-CG1 3.68Å; A2385-V2471 HydrophobicContact CB-CG2 3.83Å; V2389-V2471 HydrophobicContact CG2-CB 3.96Å; V2389-V2471 HydrophobicContact CG2-CG1 4.18Å; V2389-V2471 HydrophobicContact CG2-CG2 3.64Å; S2416-V2471 PolarHBondContact O-N 3.21Å; I2418-V2471 HydrophobicContact CB-CG2 4.31Å; I2418-V2471 HydrophobicContact CG2-CG2 3.97Å

Retrieved 2,471 of 2,471 residues in 4923.5 ms (Link to these results)

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